# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 88.58 10.32 20.18 30.32 113.85 -156.60 -96.52 118.68 99.76 0.23 0.00 99.80 0.05 0.01 0.00 0.00 0.00 0.13 0.01 1 I C C 38.20 19.36 12.34 30.86 117.68 -164.33 -101.07 129.93 66.73 32.72 0.56 66.92 0.83 0.37 0.34 0.17 0.00 22.16 9.21 2 Q C C 100.02 5.40 18.54 24.91 118.22 -146.05 -95.25 143.13 74.65 23.25 2.10 67.62 4.19 2.03 0.49 1.55 0.00 22.08 2.04 3 T C T 67.80 11.56 14.11 25.85 112.52 -109.61 -72.69 138.61 74.14 21.24 4.61 17.05 20.41 37.76 0.49 3.86 0.02 19.06 1.36 4 Q C T 108.99 6.59 19.74 26.85 98.11 13.57 62.86 28.02 68.29 27.46 4.25 18.01 14.78 35.30 0.38 3.63 0.01 27.18 0.72 5 S C C 25.22 14.54 15.59 30.81 120.22 148.66 -86.94 148.80 65.47 33.56 0.96 55.83 6.75 1.16 0.19 0.71 0.00 34.81 0.56 6 M E E 82.72 10.77 22.52 33.37 121.53 -143.20 -111.69 133.82 6.89 92.76 0.35 6.25 0.56 0.14 0.26 0.13 0.00 91.55 1.12 7 L E E 11.93 23.36 17.36 40.60 123.60 -167.07 -116.58 135.67 4.52 95.22 0.26 3.89 0.35 0.11 0.12 0.09 0.00 95.23 0.22 8 D E E 68.00 9.15 26.06 35.47 113.68 -139.61 -94.50 128.37 8.01 91.56 0.43 6.64 0.74 0.24 0.14 0.16 0.00 91.87 0.20 9 V E E 10.95 23.70 16.28 39.73 115.83 -161.37 -105.36 120.61 27.40 70.86 1.74 24.39 2.24 0.87 0.71 0.78 0.00 69.93 1.08 10 A C C 40.74 12.11 22.49 34.19 101.07 -145.30 -84.80 -13.06 62.42 33.79 3.80 36.89 18.05 8.83 0.83 2.81 0.01 30.85 1.74 11 D C S 55.44 12.84 20.63 33.06 112.38 44.41 -102.40 110.01 77.69 16.71 5.60 24.67 31.35 23.26 0.76 4.64 0.02 13.22 2.08 12 N C T 83.01 12.59 19.34 31.59 96.20 -123.19 -42.62 21.25 88.15 3.87 7.98 17.27 32.77 38.60 0.91 6.93 0.00 2.37 1.16 13 S C T 39.13 12.54 20.55 33.35 96.37 110.44 -90.92 -3.77 89.35 3.79 6.86 11.68 33.15 44.84 0.78 5.94 0.00 2.47 1.14 14 G C S 24.13 11.62 22.60 34.43 98.62 -104.09 87.49 6.41 83.65 13.05 3.30 22.08 35.69 26.63 0.35 3.10 0.00 10.53 1.61 15 A C C 7.66 23.77 14.78 38.66 114.61 139.83 -77.62 135.80 61.17 37.89 0.94 51.76 6.44 1.73 0.20 0.77 0.00 37.50 1.59 16 R E E 115.04 8.52 24.16 32.98 102.26 -175.75 -95.86 -30.79 43.12 56.35 0.53 24.01 18.50 1.93 0.10 0.40 0.00 54.35 0.70 17 R E E 97.53 9.49 25.83 35.70 128.62 13.60 -139.38 139.01 13.52 86.11 0.37 10.43 2.54 0.49 0.07 0.24 0.00 86.01 0.22 18 V E E 4.37 26.30 17.61 44.52 125.66 -168.97 -123.03 137.88 3.98 95.98 0.04 3.59 0.15 0.02 0.01 0.01 0.00 96.17 0.04 19 M E E 42.45 12.76 28.12 41.51 122.32 -162.02 -116.08 133.38 0.53 99.47 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.52 0.01 20 C E E 6.68 23.69 19.85 43.82 111.75 -130.40 -84.00 125.24 0.55 99.44 0.01 0.49 0.01 0.00 0.00 0.00 0.00 99.47 0.02 21 I E E 33.20 15.79 24.03 39.54 102.96 174.98 -98.83 -27.76 3.05 96.85 0.10 2.52 0.27 0.06 0.03 0.04 0.00 96.99 0.08 22 K E E 87.16 8.64 26.11 35.30 136.52 -3.51 -144.07 147.63 8.14 91.63 0.23 6.97 0.68 0.15 0.08 0.10 0.00 91.86 0.16 23 V E E 22.02 21.43 15.93 37.01 115.45 -131.27 -93.41 130.45 18.86 80.10 1.04 17.46 1.07 0.42 0.60 0.42 0.00 78.21 1.82 24 L C E 56.07 11.72 18.60 31.01 112.47 -133.66 -83.43 129.00 54.09 42.87 3.05 23.32 16.98 17.37 0.72 2.17 0.02 37.18 2.24 25 G C S 42.21 5.54 17.39 23.92 109.44 13.37 88.79 -9.34 79.54 18.06 2.40 16.66 37.02 26.77 0.30 2.15 0.01 15.18 1.90 26 G C C 34.77 8.16 12.52 21.88 118.43 -51.32 106.42 130.60 88.10 8.34 3.56 42.58 31.19 14.57 0.55 3.42 0.00 5.31 2.37 27 S C S 83.04 3.39 13.77 18.17 104.04 -65.65 -84.90 -17.87 86.82 3.41 9.78 20.97 33.48 32.61 1.61 8.01 0.01 1.77 1.54 28 H C T 151.27 2.18 14.39 16.99 98.38 25.63 -83.26 4.03 84.12 2.71 13.17 20.44 31.61 32.47 2.31 10.40 0.02 1.33 1.42 29 R C C 115.25 9.51 11.96 22.22 115.80 83.95 -99.03 127.60 77.71 5.11 17.18 35.57 24.67 17.82 3.42 13.44 0.03 2.43 2.62 30 R C C 146.99 5.67 17.30 24.08 98.57 -150.02 -87.18 -16.64 80.21 7.07 12.72 38.49 24.76 17.45 2.85 9.65 0.03 3.60 3.18 31 Y C C 101.23 9.59 20.86 30.70 128.15 43.90 -127.67 142.59 78.81 12.90 8.29 48.23 19.72 10.33 2.56 5.91 0.08 6.16 7.01 32 A C C 10.00 22.62 15.62 37.75 126.46 -160.41 -115.83 146.76 88.19 10.84 0.97 79.01 7.71 0.98 0.47 0.48 0.00 4.39 6.96 33 G C C 19.25 9.80 26.06 36.34 137.51 -173.10 -133.15 176.20 91.60 8.11 0.29 80.66 9.87 0.43 0.14 0.12 0.00 2.41 6.37 34 I C T 67.14 15.11 19.43 34.19 109.35 -60.14 -60.67 133.26 99.11 0.55 0.35 0.17 2.14 97.10 0.02 0.20 0.00 0.27 0.11 35 G C T 29.83 9.68 22.97 33.29 96.41 22.84 88.31 -4.61 99.72 0.14 0.14 0.32 2.04 97.38 0.00 0.14 0.00 0.11 0.01 36 D C C 20.36 17.69 19.78 37.92 118.28 130.73 -71.84 146.57 96.35 3.62 0.03 92.40 3.94 0.08 0.00 0.02 0.00 3.34 0.21 37 I E E 38.25 14.41 25.58 40.24 117.97 -136.59 -104.57 129.48 3.65 96.35 0.00 3.67 0.07 0.00 0.00 0.00 0.00 95.98 0.27 38 I E E 2.51 26.14 20.11 46.97 125.34 -169.61 -120.37 139.09 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 39 K E E 54.30 12.00 27.59 40.40 116.11 -143.63 -101.65 126.12 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 40 V E E 2.59 26.24 18.80 45.89 128.03 -172.76 -126.04 143.88 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 41 T E E 31.56 9.90 27.03 38.25 120.52 -152.49 -110.64 134.23 0.46 99.54 0.00 0.38 0.02 0.00 0.00 0.00 0.00 99.60 0.00 42 V E E 6.23 24.63 15.07 40.34 113.21 -145.66 -96.55 123.88 0.82 99.17 0.01 0.73 0.02 0.00 0.00 0.00 0.00 99.22 0.02 43 K E E 103.19 5.52 22.88 28.95 98.95 -176.56 -86.52 -34.55 6.92 93.01 0.07 3.03 3.00 0.43 0.00 0.06 0.00 93.41 0.06 44 E E E 93.91 4.79 23.81 28.99 136.01 2.83 -147.86 150.30 10.67 89.22 0.12 5.71 4.20 0.69 0.01 0.10 0.00 89.13 0.16 45 A E E 27.35 19.37 13.58 31.94 126.93 -164.54 -124.02 145.51 23.95 75.82 0.23 21.36 2.33 0.27 0.08 0.15 0.00 73.60 2.21 46 I C C 53.81 9.67 15.71 27.11 116.24 -124.25 -92.78 133.80 74.77 24.80 0.43 68.97 4.02 0.70 0.13 0.31 0.00 23.97 1.91 47 P C T 82.02 6.60 14.22 22.00 104.15 -105.08 -63.88 136.54 78.32 7.23 14.44 11.73 14.06 51.36 0.76 15.31 0.01 5.91 0.86 48 R C T 180.01 1.92 15.67 17.98 97.67 14.20 53.23 25.82 84.33 2.33 13.34 7.99 12.20 62.07 0.76 14.68 0.00 1.65 0.64 49 G C S 33.20 10.01 12.00 22.54 120.20 84.45 -93.89 163.23 82.51 4.84 12.65 25.28 32.16 24.01 0.68 13.71 0.00 3.05 1.10 50 K C C 141.48 3.26 19.13 22.73 98.41 -132.08 -84.10 4.27 83.06 15.51 1.44 59.81 15.04 7.75 0.30 1.39 0.00 12.88 2.83 51 V C C 22.23 20.40 9.65 29.04 122.29 84.47 -105.42 140.04 50.61 49.15 0.25 44.62 5.42 0.30 0.14 0.14 0.00 25.78 23.60 52 K C C 128.31 2.43 21.54 23.58 122.26 -146.16 -104.80 147.79 80.51 19.39 0.10 79.55 1.17 0.18 0.03 0.06 0.00 15.50 3.51 53 K C T 128.34 7.99 13.24 22.82 109.90 -92.95 -59.83 134.63 93.28 6.34 0.38 0.55 2.60 92.26 0.01 0.25 0.00 4.04 0.28 54 G C T 47.52 3.95 17.85 22.76 95.36 22.91 86.86 -5.58 96.47 3.35 0.17 0.76 3.30 92.35 0.00 0.16 0.00 3.39 0.04 55 Q C C 78.65 8.00 17.75 27.02 117.77 131.48 -77.52 144.45 93.64 6.32 0.04 89.79 3.22 0.12 0.00 0.04 0.00 6.65 0.18 56 V E E 65.20 12.81 18.84 31.75 117.08 -130.16 -95.32 130.90 4.80 95.19 0.00 5.18 0.08 0.00 0.00 0.00 0.00 93.85 0.88 57 M E E 17.72 20.65 18.63 39.06 132.45 -176.55 -129.51 151.09 0.74 99.26 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.27 0.02 58 T E E 42.42 12.13 26.55 39.19 115.93 -120.28 -90.41 133.35 1.81 98.19 0.00 1.64 0.05 0.00 0.00 0.00 0.00 98.30 0.01 59 A E E 1.65 26.34 20.53 47.34 134.99 170.69 -136.24 155.95 5.37 94.63 0.00 4.76 0.32 0.01 0.00 0.00 0.00 94.89 0.02 60 V E E 11.91 18.62 28.02 46.87 119.76 -134.74 -111.24 131.60 0.34 99.66 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.01 61 V E E 4.71 24.67 24.46 49.35 111.24 -133.15 -85.73 122.98 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.77 0.01 62 V E E 11.90 20.39 25.58 45.46 102.00 175.38 -99.93 -30.50 3.34 96.65 0.00 2.69 0.37 0.02 0.00 0.00 0.00 96.88 0.04 63 R E E 67.37 12.32 26.54 38.96 139.09 -1.04 -150.36 149.46 11.44 88.53 0.03 9.17 1.93 0.15 0.01 0.03 0.00 88.36 0.36 64 T E E 20.72 21.62 15.58 36.46 123.93 -159.32 -122.14 141.73 34.51 65.34 0.15 32.20 1.96 0.24 0.04 0.12 0.00 63.36 2.08 65 K C S 113.32 6.95 20.40 28.02 98.14 -149.53 -81.17 -29.27 77.83 21.91 0.27 22.70 51.75 2.67 0.02 0.24 0.00 21.96 0.66 66 H C S 126.46 3.53 20.94 24.41 109.90 22.69 -109.09 65.29 69.61 30.20 0.19 13.00 51.61 3.55 0.01 0.19 0.00 31.11 0.54 67 G C E 18.40 15.12 15.16 30.05 126.20 -119.15 -75.40 165.83 51.54 48.34 0.12 45.84 3.06 0.43 0.01 0.13 0.00 50.19 0.34 68 V E E 37.01 13.49 16.59 31.25 125.06 -113.24 -121.21 141.14 4.25 95.74 0.01 3.94 0.25 0.02 0.00 0.01 0.00 94.87 0.92 69 R E E 136.04 5.71 16.53 23.83 115.40 -132.53 -95.77 127.59 3.35 96.65 0.01 3.17 0.12 0.01 0.01 0.00 0.00 91.82 4.88 70 R C C 66.76 11.88 9.16 21.88 122.16 -138.15 -81.84 166.58 97.00 2.98 0.02 97.42 0.21 0.04 0.00 0.01 0.00 1.96 0.37 71 T C T 120.55 1.18 11.30 13.15 90.18 -102.28 -61.03 -25.23 99.40 0.27 0.33 0.39 2.45 96.61 0.00 0.33 0.00 0.18 0.04 72 D C T 113.41 1.33 11.34 13.03 93.34 56.59 -86.69 -0.81 99.63 0.04 0.32 0.15 2.11 97.39 0.00 0.31 0.00 0.02 0.01 73 G C S 46.37 3.50 12.19 17.16 98.27 -101.20 89.21 5.23 99.56 0.20 0.25 9.45 89.32 0.91 0.02 0.15 0.00 0.09 0.07 74 S C C 42.14 6.75 12.17 21.23 118.86 135.13 -76.85 149.12 98.01 1.98 0.01 96.43 1.85 0.06 0.00 0.01 0.00 1.41 0.25 75 I E E 73.68 10.27 15.93 27.34 120.22 -140.33 -109.85 133.74 1.23 98.77 0.00 1.23 0.05 0.00 0.00 0.00 0.00 94.66 4.05 76 I E E 28.71 17.41 16.17 34.16 119.66 -160.18 -109.31 130.35 3.50 96.50 0.00 3.54 0.07 0.00 0.00 0.00 0.00 96.25 0.13 77 R E E 115.72 8.35 22.71 31.75 118.82 -154.12 -102.71 131.34 20.27 79.67 0.06 19.04 0.75 0.08 0.02 0.03 0.00 79.42 0.65 78 F C C 22.00 22.46 12.77 34.69 122.09 -163.19 -112.88 135.18 53.92 45.86 0.22 51.02 2.09 0.30 0.07 0.15 0.00 42.86 3.51 79 D C C 95.79 4.72 22.17 27.17 109.15 -161.79 -98.96 82.38 81.02 17.65 1.33 61.69 14.67 4.28 0.24 1.29 0.00 15.64 2.20 80 G C T 33.26 8.12 22.00 30.01 119.00 -0.32 105.48 -158.81 87.55 10.05 2.40 5.18 34.22 48.93 0.13 2.22 0.00 8.35 0.97 81 N C T 49.94 16.39 21.68 36.88 106.80 -9.98 -89.43 83.97 84.31 13.89 1.80 20.41 22.91 40.75 0.11 1.94 0.00 13.13 0.74 82 A C E 7.57 21.80 22.72 44.15 121.87 161.49 -102.91 142.02 50.73 49.04 0.24 45.86 3.57 0.36 0.04 0.18 0.00 48.98 1.00 83 A E E 3.82 23.59 26.90 49.64 130.68 -169.60 -129.57 148.09 5.12 94.86 0.01 5.01 0.25 0.02 0.00 0.01 0.00 94.32 0.40 84 V E E 2.82 24.96 27.66 52.07 125.54 -157.78 -122.03 136.56 0.78 99.22 0.00 0.85 0.01 0.00 0.00 0.00 0.00 99.09 0.05 85 L E E 6.35 22.59 26.74 49.01 116.27 -142.23 -99.75 127.14 0.95 99.05 0.00 0.86 0.03 0.00 0.00 0.00 0.00 99.08 0.02 86 L E E 9.10 20.55 20.36 41.26 128.82 -169.90 -122.15 145.52 0.98 99.02 0.00 1.02 0.03 0.00 0.00 0.00 0.00 95.06 3.88 87 N C C 36.77 10.29 19.21 30.62 125.41 -129.52 -83.69 175.55 91.53 8.44 0.03 92.24 0.36 0.06 0.00 0.01 0.00 6.61 0.71 88 N C T 103.65 8.65 15.55 25.41 91.18 -86.87 -65.87 -17.69 99.45 0.14 0.40 0.23 2.86 96.39 0.01 0.41 0.00 0.08 0.03 89 K C T 145.27 1.53 18.60 19.04 93.47 53.28 -91.97 4.19 99.47 0.05 0.47 0.17 2.91 96.38 0.01 0.50 0.00 0.02 0.01 90 Q C S 63.72 16.62 12.97 29.14 93.29 -113.07 66.91 25.46 98.70 0.61 0.70 22.03 74.81 1.88 0.05 0.64 0.00 0.24 0.35 91 E C C 103.89 3.72 23.02 27.25 118.61 143.77 -93.32 138.41 97.73 2.23 0.04 91.63 6.13 0.15 0.01 0.02 0.00 1.14 0.92 92 P E B 39.46 20.05 14.40 33.71 112.78 -106.78 -65.84 139.26 5.40 94.54 0.07 4.17 0.25 0.02 0.08 0.01 0.00 22.98 72.49 93 I C C 63.53 12.24 20.23 32.58 104.35 -170.31 -97.00 -9.67 69.98 29.26 0.76 45.34 16.03 9.24 0.13 0.85 0.00 25.73 2.68 94 G C S 19.76 12.93 19.90 32.72 142.67 2.03 159.62 176.63 80.57 18.81 0.62 32.34 40.39 7.85 0.08 0.66 0.00 17.30 1.38 95 T C C 72.96 11.35 19.21 30.58 102.95 -113.13 -100.75 -0.89 83.82 15.53 0.66 65.85 15.96 1.60 0.15 0.58 0.00 14.49 1.35 96 R C C 110.99 8.87 22.68 32.09 120.61 83.87 -106.68 133.81 65.91 33.47 0.62 57.77 6.36 0.95 0.26 0.43 0.00 27.68 6.55 97 I C C 23.76 22.53 15.35 37.34 116.64 -159.66 -108.64 123.74 58.21 41.29 0.51 50.23 6.10 1.26 0.26 0.29 0.00 33.25 8.60 98 F C C 91.59 9.67 22.70 32.60 130.05 168.11 -128.85 146.05 76.23 23.12 0.66 61.85 12.52 1.76 0.42 0.31 0.00 19.87 3.26 99 G C S 23.65 10.33 21.12 31.63 130.35 42.63 101.14 -172.19 77.71 1.99 20.30 21.51 47.51 6.77 21.31 1.27 0.03 0.85 0.75 100 P H H 61.95 8.31 21.93 30.95 93.12 -46.72 -64.56 -32.40 20.06 0.42 79.53 4.68 4.79 11.39 76.37 2.29 0.09 0.19 0.20 101 V H H 9.37 22.56 19.04 41.03 92.40 55.12 -65.84 -39.77 10.17 0.63 89.20 3.83 1.65 5.37 85.91 2.59 0.06 0.40 0.19 102 T H H 13.84 20.77 18.88 39.05 91.92 53.50 -63.90 -41.26 3.20 0.24 96.56 1.58 0.47 1.41 93.83 2.47 0.01 0.20 0.03 103 R H H 122.39 5.00 24.14 29.20 91.88 51.13 -64.80 -40.35 2.08 0.14 97.78 0.79 0.27 1.09 95.32 2.39 0.01 0.12 0.02 104 E H H 60.19 9.95 21.11 31.66 91.99 50.31 -66.12 -39.46 3.20 0.15 96.65 0.73 0.35 2.17 94.27 2.32 0.02 0.11 0.03 105 L H H 9.19 22.61 14.88 37.29 93.54 51.02 -69.49 -31.81 10.51 0.25 89.24 2.00 1.11 7.44 86.89 2.31 0.03 0.15 0.08 106 R H H 99.60 12.26 16.91 28.94 93.83 60.61 -71.21 -23.48 33.05 0.52 66.43 7.76 3.17 21.73 64.55 2.28 0.03 0.25 0.24 107 T C H 75.84 4.38 16.00 21.06 107.83 75.91 -84.41 99.31 50.36 0.65 49.00 9.37 10.23 30.09 47.24 2.35 0.09 0.24 0.39 108 E C T 119.86 4.72 15.23 20.90 97.48 -11.44 -74.65 -26.45 70.67 0.31 29.02 4.81 14.61 49.74 26.47 3.98 0.03 0.11 0.26 109 K C T 124.32 5.71 16.98 23.43 96.77 20.26 -64.76 -11.05 71.93 0.36 27.71 7.27 9.66 53.80 24.35 4.51 0.02 0.15 0.25 110 F C C 32.14 19.60 12.41 31.04 97.67 63.80 -88.83 -1.65 56.00 1.06 42.93 37.44 4.54 13.92 37.11 5.92 0.00 0.48 0.59 111 M H H 81.25 9.58 16.85 27.39 93.04 93.46 -61.55 -36.61 12.32 0.31 87.37 7.47 1.67 3.92 79.73 6.92 0.01 0.20 0.08 112 K H H 114.56 3.85 21.62 25.57 92.05 56.32 -65.32 -37.13 4.83 0.29 94.89 1.63 0.65 2.69 85.78 8.93 0.02 0.27 0.04 113 I H H 15.05 20.12 17.20 37.13 92.75 51.21 -66.33 -41.34 2.00 0.20 97.80 0.63 0.25 1.14 89.31 8.42 0.01 0.23 0.01 114 V H H 25.15 19.63 16.69 35.70 91.76 53.37 -64.00 -37.97 2.66 0.13 97.21 0.58 0.29 1.70 87.89 9.40 0.01 0.13 0.01 115 S H H 74.35 3.33 21.57 25.30 90.88 57.99 -68.94 -23.11 22.35 0.18 77.47 1.34 1.21 19.24 69.20 8.76 0.07 0.11 0.07 116 L C T 73.16 9.89 17.59 28.24 94.90 56.94 -87.50 -8.46 52.02 0.32 47.66 3.05 4.30 43.50 42.87 5.84 0.07 0.14 0.21 117 A C S 17.52 20.99 9.85 29.76 117.29 103.71 -77.30 142.77 98.85 0.75 0.40 32.20 66.13 0.67 0.30 0.08 0.00 0.27 0.35 118 P C C 73.52 6.34 15.13 22.76 111.98 -107.48 -67.76 149.02 96.46 2.59 0.95 93.26 1.20 2.37 0.48 0.29 0.00 1.23 1.17 119 E C C 140.83 3.95 15.07 20.81 108.59 -111.56 -79.21 129.78 99.66 0.32 0.02 99.64 0.10 0.04 0.01 0.00 0.00 0.12 0.09