# 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 108.28 7.13 12.79 21.46 123.25 -165.31 -109.79 138.25 99.77 0.22 0.01 99.75 0.08 0.03 0.01 0.00 0.00 0.11 0.02 1 R C C 143.70 4.79 11.86 18.63 119.12 -156.50 -106.09 135.89 87.26 10.46 2.28 83.98 1.23 2.51 0.93 0.94 0.00 7.66 2.76 2 E C C 119.67 5.62 11.71 18.96 110.58 -141.78 -91.28 114.84 82.12 14.72 3.16 66.19 9.63 5.69 1.03 2.22 0.00 11.00 4.24 3 I C C 85.41 9.04 11.21 21.29 105.80 -174.87 -95.33 21.15 80.81 15.14 4.05 47.06 14.35 19.98 1.07 3.03 0.01 10.56 3.94 4 G C C 40.70 6.85 14.17 22.00 109.45 -108.38 83.76 -4.83 85.54 11.06 3.40 39.15 24.02 23.51 0.63 2.82 0.01 7.49 2.37 5 L C C 78.49 10.37 11.26 22.30 113.51 86.27 -91.45 128.65 87.03 10.32 2.65 60.66 19.91 6.35 0.62 2.27 0.00 7.22 2.98 6 R C C 179.95 1.69 17.00 18.67 103.85 -137.64 -84.94 76.51 89.51 9.24 1.25 73.36 11.86 3.87 0.35 1.02 0.00 6.64 2.91 7 V C C 52.61 14.48 8.98 23.09 121.31 128.98 -105.34 139.65 91.25 8.42 0.32 78.68 11.97 0.58 0.14 0.19 0.00 3.87 4.57 8 Q C C 132.65 1.97 18.46 20.52 116.20 -127.25 -90.09 133.48 98.20 1.74 0.06 93.17 5.07 0.18 0.02 0.03 0.00 0.83 0.70 9 P C C 70.45 11.51 12.60 24.61 117.54 -106.24 -66.43 149.22 99.69 0.28 0.04 96.41 3.21 0.12 0.01 0.01 0.00 0.12 0.12 10 P C C 40.86 14.74 10.25 25.26 114.72 -101.97 -64.51 149.40 98.25 0.78 0.97 95.21 1.89 1.34 0.21 0.58 0.00 0.31 0.45 11 A C S 90.56 1.83 15.62 17.73 96.34 -128.79 -74.15 -25.23 96.36 1.86 1.78 31.48 60.64 4.54 0.34 1.25 0.00 1.02 0.74 12 E C C 120.29 3.28 16.19 20.49 128.35 12.43 -126.38 150.05 79.64 17.04 3.32 41.70 33.43 5.39 0.78 2.67 0.01 11.26 4.75 13 V C C 87.29 8.34 15.02 24.57 122.30 -134.07 -98.60 144.25 76.17 21.78 2.05 66.42 6.65 1.77 0.73 1.40 0.00 12.78 10.25 14 C C C 25.03 17.62 9.27 26.35 115.95 -122.08 -89.61 136.62 88.53 10.51 0.95 82.42 4.35 1.60 0.29 0.65 0.00 6.10 4.59 15 N C C 130.44 1.38 18.10 18.87 98.69 -166.12 -101.18 6.52 96.50 3.17 0.33 68.52 26.26 1.80 0.07 0.31 0.00 1.73 1.33 16 D C C 50.73 9.95 10.44 22.12 112.96 112.11 -81.10 127.02 95.77 3.82 0.40 59.07 34.53 2.05 0.10 0.33 0.00 1.31 2.62 17 P C T 105.65 3.06 14.67 19.30 91.61 -142.45 -66.01 -21.49 98.99 0.30 0.71 1.71 7.18 89.93 0.03 0.85 0.00 0.20 0.10 18 K C T 128.93 4.20 15.62 20.97 97.91 54.25 -94.40 4.88 98.32 0.88 0.79 3.05 7.24 87.89 0.05 0.94 0.00 0.58 0.25 19 C C C 18.75 16.13 10.65 27.38 112.59 121.38 -80.47 128.31 89.25 10.34 0.42 54.55 33.78 0.84 0.16 0.24 0.00 2.65 7.78 20 P C T 64.29 8.37 17.95 27.69 92.47 -132.56 -64.83 -24.76 89.04 0.46 10.50 2.11 8.96 77.19 0.92 10.29 0.00 0.27 0.25 21 W C T 95.67 13.03 17.30 30.23 97.97 52.63 -87.56 -12.98 89.38 0.98 9.64 1.64 10.28 77.06 1.00 8.95 0.00 0.60 0.47 22 H C T 63.07 12.63 16.45 29.43 104.35 46.85 -100.76 -0.10 78.11 8.00 13.88 14.05 18.56 44.40 1.91 12.46 0.06 3.87 4.68 23 G C C 28.60 10.59 16.49 27.51 109.52 -137.37 74.71 -108.62 83.95 11.15 4.89 41.35 22.25 20.82 1.42 3.48 0.02 6.37 4.28 24 N C C 102.23 5.14 19.15 24.88 102.34 8.80 -94.69 18.91 75.60 20.29 4.11 46.00 20.13 10.18 1.43 2.85 0.04 10.50 8.86 25 L C C 46.46 15.42 12.20 27.70 116.40 129.47 -87.88 133.63 79.34 19.33 1.33 65.55 11.97 1.43 0.77 0.74 0.00 15.42 4.12 26 K C C 132.45 4.17 18.28 23.73 114.77 -135.46 -91.81 131.78 72.62 26.47 0.91 66.30 4.54 0.98 0.42 0.54 0.00 22.23 5.00 27 I E C 53.08 15.38 11.14 26.20 120.15 -169.61 -118.55 125.11 47.74 50.29 1.97 36.45 7.30 2.24 1.12 1.13 0.02 26.58 25.15 28 H C T 131.28 5.33 15.06 21.59 101.67 -28.78 17.21 77.89 88.92 8.47 2.62 7.96 12.00 69.02 0.51 2.08 0.01 6.58 1.85 29 G C T 51.29 4.32 15.81 20.91 96.89 -21.03 80.42 0.39 96.48 2.28 1.24 6.67 14.59 75.10 0.12 1.23 0.00 2.02 0.27 30 R E E 92.37 10.09 15.02 26.20 127.90 105.65 -112.88 148.80 47.55 51.50 0.95 28.30 15.42 6.21 0.19 0.83 0.01 45.50 3.52 31 Y E E 96.66 10.31 19.37 30.39 116.28 -127.48 -96.62 129.73 22.18 77.73 0.09 19.39 2.05 0.30 0.03 0.06 0.00 76.72 1.45 32 V E E 10.69 22.22 16.28 38.70 121.54 -161.85 -111.08 134.28 14.98 84.99 0.03 14.10 0.55 0.05 0.01 0.02 0.00 84.91 0.37 33 E E E 77.58 10.09 25.51 35.80 123.38 -162.51 -114.58 135.40 8.46 91.51 0.03 7.61 0.42 0.04 0.01 0.01 0.00 91.65 0.26 34 G E E 6.22 19.46 20.03 39.09 144.23 141.40 -166.50 174.55 3.84 96.15 0.01 3.08 0.47 0.04 0.00 0.00 0.00 96.35 0.05 35 I E E 63.36 8.57 25.86 35.43 122.75 -88.40 -114.86 137.23 1.10 98.90 0.00 0.98 0.04 0.00 0.00 0.00 0.00 98.95 0.02 36 V E E 14.82 22.56 14.46 37.51 109.33 -116.44 -75.27 124.71 0.98 99.02 0.00 0.88 0.02 0.00 0.00 0.00 0.00 99.06 0.03 37 V E E 67.66 6.98 21.43 29.28 101.86 174.25 -100.83 -26.09 2.77 97.21 0.02 2.06 0.45 0.04 0.00 0.01 0.00 97.39 0.06 38 S E E 50.38 5.37 21.99 28.10 139.88 -1.49 -154.09 157.89 8.49 91.46 0.05 6.08 2.01 0.21 0.01 0.03 0.00 91.46 0.20 39 D E E 67.61 14.03 12.17 25.99 118.20 -153.75 -125.53 120.36 32.56 67.30 0.14 28.37 3.02 0.45 0.02 0.12 0.00 67.54 0.48 40 K C E 128.06 4.26 15.10 20.66 102.70 175.39 -101.91 5.49 57.14 41.47 1.39 18.51 26.34 13.69 0.12 1.36 0.01 38.95 1.03 41 G C T 41.69 4.32 14.78 20.04 121.37 -83.84 96.16 -160.46 66.21 31.62 2.16 10.79 28.81 28.96 0.17 2.16 0.01 26.50 2.60 42 K C T 155.69 2.36 15.73 18.73 98.43 -36.74 -69.37 -4.91 98.42 0.45 1.13 2.20 26.50 69.70 0.06 1.14 0.00 0.28 0.12 43 K C T 109.65 9.40 15.59 25.40 98.42 -13.63 50.31 18.17 98.91 0.60 0.49 1.93 25.69 71.31 0.01 0.52 0.00 0.46 0.07 44 T E E 29.64 11.81 18.27 31.58 130.14 82.81 -127.16 148.35 12.06 87.92 0.02 9.61 1.74 0.13 0.00 0.01 0.00 88.12 0.39 45 V E E 7.47 20.92 17.35 39.14 125.44 -164.06 -121.56 139.13 1.22 98.78 0.00 1.08 0.02 0.00 0.00 0.00 0.00 98.87 0.02 46 V E E 27.34 10.84 25.26 37.62 117.68 -147.15 -107.11 127.90 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 47 V E E 4.40 24.13 17.72 42.63 121.69 -167.13 -114.40 132.92 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 48 E E E 50.02 10.27 24.53 35.59 119.54 -156.37 -107.95 132.64 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 49 R E E 24.42 20.01 16.45 36.41 126.79 -173.57 -123.45 141.56 1.16 98.84 0.00 1.13 0.03 0.00 0.00 0.00 0.00 98.82 0.01 50 Q E E 74.98 8.39 21.61 30.60 119.22 -143.69 -104.07 133.03 3.39 96.61 0.00 3.15 0.12 0.01 0.00 0.00 0.00 96.69 0.03 51 Y E E 40.26 14.84 15.60 31.40 132.98 176.37 -133.64 152.86 3.36 96.63 0.00 3.10 0.12 0.00 0.00 0.00 0.00 96.75 0.02 52 Y E E 94.09 9.10 17.82 28.15 119.04 -134.07 -105.50 131.36 1.52 98.48 0.00 1.38 0.04 0.00 0.00 0.00 0.00 98.56 0.01 53 H E E 57.76 11.14 15.84 28.40 127.14 -171.97 -126.46 142.33 0.41 99.59 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.00 54 Y E E 109.20 6.66 15.12 23.52 115.08 -129.99 -93.85 128.23 0.35 99.65 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 55 L E E 33.30 11.03 9.89 23.11 109.68 -150.28 -99.50 112.72 5.40 94.58 0.02 5.07 0.18 0.02 0.01 0.01 0.00 94.58 0.13 56 K C T 146.05 2.03 12.68 15.92 94.11 -161.92 -66.24 -32.29 82.56 0.21 17.23 0.32 1.35 81.24 0.29 16.64 0.00 0.13 0.03 57 K C T 150.44 1.53 12.14 13.94 94.33 51.76 -70.58 -37.76 84.45 0.09 15.46 0.25 1.18 83.98 0.29 14.23 0.00 0.05 0.02 58 Y C T 119.37 4.42 10.82 16.84 98.53 27.34 -102.08 -4.44 87.75 0.07 12.18 0.36 1.47 85.63 0.26 12.22 0.00 0.04 0.02 59 E C T 139.52 2.76 12.67 17.22 93.89 -126.53 58.98 37.49 99.67 0.11 0.22 3.57 1.33 94.85 0.05 0.10 0.00 0.09 0.01 60 R E E 97.83 5.40 13.25 20.68 131.11 129.51 -126.08 156.20 4.77 95.22 0.00 4.04 0.25 0.03 0.00 0.00 0.00 95.58 0.08 61 Y E E 107.25 10.32 12.79 24.24 120.90 -127.80 -106.08 138.10 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 62 E E E 59.73 9.76 15.46 26.98 127.80 -173.12 -128.17 143.96 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 63 L E E 89.15 9.03 15.52 25.65 118.06 -128.29 -90.89 135.79 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 64 R E E 74.56 11.41 14.88 27.59 129.43 -175.68 -131.54 146.92 0.56 99.44 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.00 65 K E E 111.98 8.56 16.09 26.22 124.22 -157.66 -119.03 138.18 1.84 98.16 0.00 1.54 0.10 0.00 0.00 0.00 0.00 98.33 0.02 66 S E E 29.29 12.44 15.84 29.36 135.04 175.53 -138.35 156.39 4.63 95.36 0.00 4.05 0.28 0.01 0.00 0.00 0.00 95.57 0.08 67 K E E 111.61 8.07 19.79 28.84 120.86 -134.69 -110.34 132.62 8.68 91.32 0.00 7.25 1.06 0.02 0.00 0.00 0.00 91.43 0.23 68 V E E 16.49 20.20 16.43 36.67 124.93 -172.66 -121.87 135.94 13.08 86.92 0.00 12.13 0.52 0.01 0.00 0.00 0.00 87.11 0.23 69 H E E 80.74 9.67 24.97 35.07 117.26 -138.17 -89.21 136.98 12.07 87.92 0.01 11.94 0.26 0.01 0.00 0.00 0.00 87.26 0.52 70 A E E 4.50 24.88 17.14 42.28 131.27 -169.61 -129.54 146.78 16.82 83.15 0.02 16.02 0.55 0.04 0.01 0.01 0.00 82.01 1.36 71 H E E 63.55 11.31 25.26 36.88 119.38 -142.80 -106.84 132.72 19.84 80.10 0.06 16.96 2.52 0.11 0.03 0.03 0.00 72.78 7.56 72 N C C 18.09 21.22 16.34 37.20 111.60 -163.77 -114.19 106.75 95.63 4.31 0.06 92.97 2.94 0.12 0.02 0.03 0.00 3.49 0.44 73 P C G 52.15 9.69 18.67 29.44 106.40 -152.04 -66.62 151.79 65.54 0.85 33.61 25.36 8.10 30.68 4.27 30.75 0.00 0.49 0.35 74 E C T 127.50 4.47 19.51 24.79 94.26 -56.35 -68.82 -19.03 59.04 0.41 40.55 4.11 7.36 45.24 5.27 37.55 0.00 0.22 0.26 75 C C G 38.45 15.07 14.32 29.21 95.45 57.25 -85.52 -6.33 52.01 0.88 47.11 14.17 9.13 27.10 5.96 42.74 0.00 0.45 0.44 76 I C T 50.89 16.64 13.99 29.79 102.35 65.24 -89.25 -2.26 73.65 0.96 25.39 14.09 12.80 46.12 5.63 20.22 0.01 0.48 0.66 77 N C T 118.11 2.31 23.06 24.97 98.13 -128.69 -65.80 35.06 86.04 0.57 13.40 25.52 10.27 49.79 1.99 11.79 0.00 0.27 0.38 78 A C C 10.93 23.20 9.90 32.20 119.67 150.56 -79.42 145.50 99.12 0.35 0.53 95.83 2.87 0.25 0.07 0.53 0.00 0.09 0.35 79 K C C 123.19 2.57 24.11 26.61 129.71 -160.28 -123.43 155.69 99.35 0.61 0.04 98.06 1.17 0.03 0.02 0.01 0.00 0.10 0.62 80 V C T 86.81 10.61 15.72 27.02 109.83 -81.99 -59.28 135.25 99.78 0.16 0.07 0.12 1.23 98.52 0.00 0.03 0.00 0.06 0.04 81 G C T 36.94 5.29 20.08 26.58 97.40 27.37 90.92 -8.71 99.95 0.03 0.02 0.14 1.11 98.72 0.00 0.01 0.00 0.02 0.00 82 D C C 26.35 15.14 16.84 33.27 117.14 132.07 -69.91 144.41 97.55 2.45 0.00 97.16 0.68 0.01 0.00 0.00 0.00 2.08 0.06 83 K E E 81.58 10.11 24.61 35.09 118.07 -130.61 -98.58 132.72 0.78 99.22 0.00 0.80 0.01 0.00 0.00 0.00 0.00 98.96 0.23 84 V E E 2.86 26.16 17.08 44.12 130.81 -174.50 -129.13 151.41 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 85 L E E 42.21 10.84 27.14 39.23 116.92 -128.55 -98.70 131.70 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 86 I E E 5.19 25.64 18.22 44.39 122.02 -162.40 -113.09 133.18 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 87 A E E 22.30 12.05 24.97 37.53 135.06 -175.14 -135.36 156.37 0.89 99.11 0.00 0.83 0.02 0.00 0.00 0.00 0.00 99.13 0.02 88 E E E 81.32 13.26 20.79 33.43 115.59 -107.13 -77.44 138.64 6.36 93.63 0.01 6.12 0.23 0.01 0.00 0.00 0.00 93.46 0.17 89 T C C 24.48 17.74 13.65 31.25 127.63 -164.57 -117.53 155.30 56.14 43.80 0.06 52.89 1.86 0.15 0.01 0.04 0.00 44.28 0.77 90 R C C 147.25 3.15 18.84 22.50 115.94 -103.87 -84.57 140.61 79.07 20.66 0.26 54.62 22.42 1.76 0.06 0.26 0.00 19.53 1.36 91 P C C 70.49 10.35 11.53 22.71 111.45 -98.63 -65.87 138.79 86.75 12.60 0.65 59.56 23.31 3.98 0.13 0.58 0.00 10.84 1.61 92 I C C 112.16 4.05 13.03 18.64 99.30 -169.56 -85.67 -27.96 77.91 21.14 0.95 36.90 36.62 5.70 0.27 0.81 0.01 12.18 7.52 93 S C C 51.03 3.96 13.54 18.93 135.08 8.69 -144.91 162.51 86.58 12.57 0.86 45.81 35.43 6.13 0.21 0.73 0.00 6.91 4.78 94 K C S 164.03 1.92 12.66 15.86 92.26 -106.11 -65.71 -22.45 98.79 0.54 0.67 3.41 68.18 27.44 0.07 0.44 0.00 0.32 0.15 95 T C S 88.28 3.98 15.03 19.84 100.67 47.34 -94.81 -12.69 97.30 2.17 0.53 4.06 66.95 26.59 0.05 0.38 0.00 1.66 0.30 96 K C E 69.69 11.81 15.34 27.81 117.88 42.32 -115.11 125.19 51.14 48.48 0.37 40.00 9.74 1.65 0.12 0.32 0.00 44.63 3.54 97 S E E 19.07 14.17 18.95 34.17 129.11 163.06 -125.84 151.52 30.06 69.82 0.12 25.79 2.94 0.34 0.05 0.07 0.00 70.01 0.80 98 W E E 21.39 20.81 19.37 40.10 128.08 -153.41 -124.73 143.83 9.86 90.06 0.08 8.56 0.73 0.09 0.04 0.03 0.00 90.32 0.23 99 V E E 28.34 12.63 25.17 38.76 121.91 -150.91 -116.54 132.02 1.50 98.43 0.08 1.35 0.06 0.01 0.07 0.01 0.00 98.44 0.06 100 V E E 10.28 22.86 16.71 40.26 109.79 -122.72 -79.03 123.62 0.55 99.40 0.05 0.52 0.01 0.00 0.05 0.01 0.00 99.39 0.02 101 V E E 56.11 9.03 22.48 32.37 101.48 174.75 -99.22 -30.81 1.13 98.65 0.22 0.83 0.12 0.02 0.14 0.03 0.00 98.83 0.01 102 A E E 42.83 6.32 24.23 31.32 140.26 -3.90 -156.01 153.14 0.90 98.86 0.23 0.71 0.07 0.02 0.14 0.04 0.00 99.00 0.01 103 V E E 47.54 17.78 14.53 31.74 112.40 -131.42 -95.91 120.65 1.95 97.81 0.24 1.87 0.08 0.03 0.17 0.05 0.00 97.72 0.08 104 L E E 72.43 8.21 17.73 27.04 101.61 178.20 -92.91 -32.27 16.54 81.67 1.78 12.89 2.94 0.87 1.18 0.59 0.00 81.11 0.43 105 Q E E 96.61 4.68 19.45 25.01 135.05 -3.35 -147.95 151.95 30.99 66.29 2.72 23.01 7.15 2.16 1.44 1.24 0.00 64.09 0.92 106 R C C 124.39 10.46 13.33 24.52 119.53 -133.10 -100.82 136.27 60.01 33.47 6.53 46.35 8.91 4.29 2.78 3.31 0.01 32.81 1.54 107 A C C 42.49 10.65 11.11 22.85 116.85 -134.00 -87.70 147.03 78.83 10.53 10.65 53.53 16.53 9.06 4.55 5.86 0.01 9.03 1.45 108 E C C 133.65 3.07 13.29 17.73 111.95 -133.13 -89.03 130.56 79.76 8.32 11.92 52.69 17.43 10.09 4.89 6.79 0.01 6.47 1.62 109 R C C 147.60 4.55 11.96 17.97 113.16 -95.12 -92.81 129.07 77.92 7.40 14.68 52.02 16.12 10.25 6.00 8.41 0.01 5.48 1.71 110 A C C 65.51 7.11 9.13 17.45 108.16 -121.05 -80.60 121.19 76.13 7.41 16.46 49.55 16.11 11.15 5.31 10.79 0.01 5.56 1.52 111 E C C 129.06 3.43 10.33 15.45 109.60 -154.72 -88.97 114.96 72.67 11.20 16.13 50.03 13.04 10.14 5.00 10.85 0.01 8.97 1.94 112 E C C 133.40 3.27 9.98 14.92 107.76 -130.52 -84.92 91.21 76.35 12.00 11.64 66.35 3.22 7.09 4.53 6.18 0.00 9.68 2.95 113 V C C 86.19 7.68 10.31 19.06 105.20 74.94 -88.16 49.25 99.60 0.31 0.09 99.52 0.11 0.08 0.04 0.01 0.00 0.21 0.02