# 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 A C C 61.54 9.00 15.97 25.51 113.54 -167.24 -91.34 129.89 99.91 0.08 0.01 99.86 0.05 0.03 0.00 0.00 0.00 0.04 0.01 1 A C C 45.77 12.28 14.11 26.76 118.05 -156.19 -95.85 134.92 95.60 3.12 1.28 91.10 1.00 4.08 0.36 0.57 0.00 2.20 0.70 2 K C C 113.95 6.87 20.96 28.29 113.35 -141.39 -91.60 122.68 89.91 8.64 1.45 61.04 21.62 7.00 0.39 1.21 0.00 6.10 2.64 3 I C C 9.53 24.96 11.53 36.26 120.23 -156.38 -102.88 134.49 88.33 11.27 0.40 81.19 6.18 0.30 0.20 0.18 0.00 4.99 6.96 4 R C C 104.78 5.55 23.96 29.66 130.74 -169.38 -120.33 157.59 96.45 3.39 0.16 96.05 0.86 0.11 0.06 0.06 0.00 1.42 1.44 5 R C T 118.59 11.13 15.67 26.99 109.81 -89.07 -61.72 138.88 99.01 0.72 0.28 0.32 1.66 97.37 0.01 0.16 0.00 0.39 0.08 6 D C T 101.04 3.76 20.68 25.08 93.28 16.76 73.70 5.27 99.64 0.25 0.11 0.31 1.82 97.59 0.00 0.09 0.00 0.18 0.01 7 D C C 28.30 15.44 14.79 31.13 118.52 136.94 -73.40 146.89 96.56 3.42 0.02 93.60 2.86 0.09 0.00 0.02 0.00 3.31 0.12 8 E E E 80.58 8.51 24.59 33.55 115.16 -121.18 -85.94 132.92 3.82 96.16 0.01 4.00 0.11 0.01 0.01 0.00 0.00 94.74 1.12 9 V E E 3.30 25.63 17.11 43.39 131.54 -173.79 -129.15 150.23 1.67 98.31 0.01 1.55 0.08 0.01 0.00 0.01 0.00 98.26 0.08 10 I E E 32.60 11.85 26.00 39.01 118.95 -141.73 -109.99 130.58 2.77 97.01 0.22 2.51 0.23 0.11 0.08 0.12 0.00 96.80 0.15 11 V E E 9.83 21.54 17.61 39.93 109.49 -126.15 -79.38 122.86 16.45 83.41 0.14 15.90 0.66 0.13 0.03 0.09 0.00 82.25 0.94 12 L C C 48.68 11.67 21.35 33.87 99.68 176.36 -98.27 -23.56 90.67 9.07 0.26 62.21 25.92 2.12 0.04 0.27 0.00 8.82 0.62 13 T C S 59.85 5.04 22.07 27.81 139.70 15.33 -149.58 157.94 95.62 3.79 0.58 12.40 78.67 4.84 0.08 0.42 0.00 2.14 1.43 14 G C S 36.99 4.55 18.62 24.32 126.52 32.94 89.77 -164.64 90.51 1.45 8.04 6.75 73.44 10.80 0.57 6.84 0.00 0.56 1.03 15 K C T 157.69 2.14 18.19 20.71 93.39 -40.85 -69.76 -21.87 86.14 0.78 13.09 1.73 21.08 62.95 0.41 12.98 0.00 0.38 0.47 16 D C T 40.84 14.70 12.78 27.98 96.38 51.34 -98.79 8.65 88.11 0.85 11.04 5.03 11.58 70.11 0.46 11.91 0.00 0.52 0.39 17 K C T 100.12 11.10 13.52 25.70 110.92 132.48 -61.32 132.63 96.97 0.90 2.13 1.76 2.65 92.82 0.25 1.62 0.00 0.43 0.47 18 G C T 48.82 4.00 19.61 24.30 94.17 21.94 86.40 -2.91 98.48 0.58 0.94 1.62 3.25 93.63 0.07 0.87 0.00 0.46 0.09 19 K C C 82.21 10.01 17.95 28.97 119.30 125.70 -77.32 145.67 96.31 3.49 0.20 90.90 4.63 0.67 0.03 0.19 0.00 3.31 0.27 20 R E E 119.11 10.19 20.14 31.25 127.23 -149.52 -116.98 144.13 9.28 90.66 0.07 8.76 0.63 0.06 0.05 0.03 0.00 83.89 6.57 21 G E E 9.03 15.62 20.30 36.22 143.26 148.92 -158.12 179.35 5.22 94.76 0.01 4.27 0.64 0.04 0.00 0.01 0.00 94.97 0.07 22 K E E 92.73 6.84 25.80 33.50 120.78 -87.08 -101.85 140.11 1.87 98.12 0.01 1.62 0.12 0.01 0.00 0.00 0.00 98.19 0.05 23 V E E 7.14 24.68 13.16 38.65 109.83 -115.52 -75.63 125.64 2.30 97.67 0.03 2.24 0.07 0.01 0.01 0.02 0.00 97.60 0.06 24 K E E 98.82 5.94 22.59 29.22 100.46 176.42 -96.88 -29.91 3.32 96.60 0.09 2.38 0.67 0.06 0.01 0.07 0.00 96.78 0.04 25 N E E 75.61 4.90 24.65 30.23 138.67 -0.08 -154.06 151.11 1.01 98.96 0.03 0.72 0.13 0.02 0.00 0.02 0.00 99.10 0.01 26 V E E 42.46 19.62 13.71 32.33 121.42 -148.90 -117.71 128.48 1.56 98.41 0.03 1.39 0.10 0.01 0.01 0.01 0.00 98.23 0.24 27 L C C 47.67 10.29 14.18 26.15 118.80 -135.74 -80.38 154.73 56.21 43.61 0.18 53.61 1.15 0.27 0.03 0.11 0.00 44.13 0.70 28 S C T 91.29 2.39 14.95 18.43 92.84 -109.84 -63.58 -22.65 85.79 11.22 2.99 9.76 8.29 68.15 0.24 2.88 0.00 10.14 0.54 29 S C T 77.31 2.71 17.05 19.95 94.18 55.74 -85.23 1.33 97.85 0.41 1.74 16.57 6.93 74.14 0.16 1.81 0.00 0.29 0.09 30 G C C 19.46 13.47 14.84 28.82 97.85 -102.91 86.49 7.26 97.08 1.01 1.92 38.13 34.38 23.91 0.10 2.53 0.00 0.77 0.18 31 K C C 62.76 10.14 20.90 31.91 121.18 133.10 -87.52 147.98 52.95 47.01 0.03 50.42 1.38 0.10 0.00 0.02 0.00 47.38 0.69 32 V E E 5.59 23.87 17.17 41.81 119.75 -146.63 -109.80 131.27 0.58 99.42 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.43 0.03 33 I E E 37.11 10.75 26.26 38.15 117.27 -157.04 -108.19 126.57 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 34 V E E 5.70 24.37 16.32 41.29 117.50 -165.86 -110.61 124.19 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.01 35 E E E 92.70 6.95 23.40 30.61 120.21 -157.58 -97.43 143.95 8.84 91.12 0.05 4.74 2.34 0.95 0.00 0.05 0.00 91.83 0.09 36 G E E 34.49 6.26 22.70 29.65 98.98 19.03 75.66 15.02 40.31 59.57 0.11 11.91 22.23 4.29 0.01 0.12 0.00 61.28 0.15 37 I E E 28.57 22.04 12.85 33.75 113.99 142.41 -89.54 126.12 39.82 59.79 0.38 34.08 4.32 0.90 0.06 0.30 0.00 59.69 0.66 38 N E E 79.69 7.30 21.81 29.30 107.77 -156.69 -102.19 71.81 39.08 60.59 0.33 28.21 9.10 1.96 0.04 0.31 0.00 59.65 0.73 39 L E E 61.21 13.95 15.32 29.42 117.08 -139.29 -96.19 131.33 21.25 78.54 0.22 17.63 3.24 0.46 0.05 0.16 0.00 77.59 0.87 40 V E E 55.19 11.06 15.14 27.35 122.78 -168.34 -117.26 137.22 9.82 90.10 0.08 8.63 0.98 0.12 0.02 0.05 0.00 89.82 0.38 41 K E E 117.67 7.16 15.04 23.60 117.33 -143.05 -100.42 130.23 6.53 93.40 0.07 5.59 0.69 0.11 0.01 0.04 0.00 93.36 0.20 42 K E E 109.26 6.81 13.62 21.99 121.56 -159.41 -112.80 137.29 9.49 90.38 0.13 7.81 1.29 0.23 0.03 0.07 0.00 90.33 0.23 43 H E E 109.63 6.84 11.89 20.32 117.01 -130.19 -95.97 134.28 16.58 83.22 0.20 14.22 1.99 0.37 0.06 0.13 0.00 82.47 0.76 44 Q E E 96.34 6.85 11.48 20.07 120.00 -161.32 -106.34 137.96 35.33 64.43 0.24 29.61 5.21 0.52 0.08 0.17 0.00 62.62 1.79 45 K C C 134.13 3.23 13.15 17.81 115.94 -119.56 -86.27 138.32 70.62 29.16 0.23 61.06 7.48 0.47 0.08 0.14 0.00 29.89 0.87 46 P C C 74.77 7.02 9.76 18.49 113.09 -105.64 -67.66 147.44 76.20 22.13 1.67 64.47 9.10 1.76 0.86 0.89 0.00 20.26 2.66 47 V C C 73.50 5.03 9.07 16.28 114.31 -130.81 -97.63 127.38 79.10 16.99 3.91 66.09 9.14 2.12 2.51 1.74 0.01 9.32 9.07 48 P H G 106.70 2.01 9.67 12.98 96.66 -130.29 -65.38 -30.84 45.65 1.89 52.46 15.81 8.06 21.82 5.91 46.69 0.01 1.21 0.50 49 A H G 91.76 1.08 9.54 11.11 95.57 56.43 -73.90 -20.87 44.99 1.36 53.64 11.87 7.87 25.26 5.52 48.19 0.01 0.84 0.45 50 L H G 103.29 3.45 8.40 13.49 99.65 45.66 -93.33 9.89 47.14 1.21 51.65 9.93 10.21 27.25 3.98 47.46 0.01 0.65 0.52 51 N C T 135.42 1.19 11.66 13.44 96.17 -121.52 56.72 34.44 94.55 1.53 3.92 25.75 15.36 53.34 0.62 3.47 0.00 1.00 0.46 52 Q C C 95.20 4.55 9.98 16.66 122.81 122.18 -111.13 144.08 82.08 17.40 0.52 48.08 33.86 1.67 0.16 0.40 0.00 10.25 5.57 53 P C C 104.61 2.30 13.58 16.90 112.27 -102.14 -68.00 144.25 79.99 19.24 0.77 64.51 10.23 4.76 0.18 0.74 0.00 16.11 3.46 54 G C C 34.90 9.87 10.81 21.29 123.08 -143.01 -118.11 175.45 78.02 21.51 0.47 51.28 19.34 7.04 0.06 0.51 0.00 20.55 1.21 55 G E E 34.13 5.80 15.40 22.39 127.39 -159.09 132.64 -170.42 41.31 58.49 0.20 29.53 10.21 1.59 0.03 0.20 0.00 57.74 0.70 56 I E E 90.98 9.26 13.36 23.73 120.84 -75.22 -105.21 134.51 8.61 91.38 0.02 7.64 0.73 0.05 0.00 0.01 0.00 91.09 0.46 57 V E E 58.45 9.37 13.62 24.65 121.40 -164.92 -113.42 135.34 2.51 97.49 0.01 2.36 0.09 0.01 0.00 0.00 0.00 97.43 0.12 58 E E E 119.52 6.99 14.49 23.18 118.50 -156.98 -107.88 131.22 4.84 95.15 0.02 3.70 0.81 0.05 0.00 0.01 0.00 95.38 0.06 59 K E E 99.94 5.69 17.35 24.46 131.42 169.53 -136.36 149.60 6.49 93.43 0.08 5.28 0.97 0.12 0.01 0.04 0.00 93.44 0.12 60 E E E 95.14 11.97 15.34 27.57 117.18 -118.56 -85.96 136.50 12.59 87.34 0.08 11.67 0.76 0.09 0.02 0.04 0.00 87.03 0.39 61 A E E 24.61 13.32 18.10 32.38 134.67 -176.61 -136.73 155.20 24.68 75.28 0.04 22.97 0.99 0.08 0.01 0.02 0.00 75.65 0.28 62 A E E 51.52 10.22 21.90 32.13 115.40 -106.32 -73.51 142.64 19.48 80.51 0.02 17.53 1.24 0.06 0.00 0.01 0.00 80.80 0.35 63 I E E 11.80 23.53 15.44 39.06 125.56 -162.30 -119.38 139.61 7.49 92.50 0.01 7.21 0.33 0.01 0.00 0.00 0.00 90.27 2.17 64 Q E E 68.66 8.08 24.85 33.54 108.90 -118.53 -76.19 125.63 18.88 81.09 0.02 19.65 0.26 0.02 0.01 0.01 0.00 78.49 1.57 65 V H G 24.23 22.18 15.65 37.54 92.15 -139.63 -63.33 -29.05 9.74 0.84 89.42 2.33 1.30 4.76 0.85 89.85 0.00 0.89 0.02 66 S H G 60.38 8.39 22.22 31.46 90.91 67.54 -71.42 -15.23 8.81 0.60 90.59 0.71 0.97 6.12 0.59 91.02 0.00 0.58 0.01 67 N H G 56.93 12.01 21.54 34.22 97.04 54.41 -99.76 3.80 9.55 0.69 89.76 1.34 1.36 5.64 0.52 90.47 0.00 0.65 0.02 68 V E E 7.12 24.82 16.91 42.14 121.85 94.90 -103.56 137.65 35.65 62.76 1.58 29.78 5.09 0.69 0.76 0.95 0.01 56.96 5.77 69 A E E 23.69 14.17 25.39 39.60 125.41 -162.69 -115.23 141.05 29.40 70.49 0.11 28.49 0.87 0.10 0.04 0.05 0.00 68.74 1.70 70 I E E 20.84 20.23 21.09 40.95 117.70 -145.07 -104.86 129.12 20.58 79.34 0.08 17.92 2.33 0.18 0.02 0.05 0.00 78.96 0.54 71 F E E 55.81 12.43 19.55 32.96 118.81 -157.09 -107.98 130.42 3.65 96.30 0.05 3.47 0.20 0.01 0.09 0.01 0.00 73.65 22.57 72 N C C 33.11 11.59 14.24 28.00 108.70 -135.36 -87.31 115.86 65.07 34.89 0.03 65.14 0.63 0.06 0.01 0.02 0.00 32.47 1.68 73 A C T 67.82 6.44 13.99 22.29 92.94 -156.62 -65.98 -26.48 99.69 0.07 0.24 0.28 2.87 96.61 0.01 0.17 0.00 0.05 0.01 74 A C T 88.53 1.33 14.52 15.58 96.68 48.12 -75.33 -39.47 99.69 0.05 0.26 0.09 1.88 97.80 0.00 0.18 0.00 0.02 0.01 75 T C T 80.49 2.97 13.38 17.16 100.92 21.19 -103.89 -17.19 99.76 0.04 0.20 0.23 2.21 97.38 0.00 0.15 0.00 0.02 0.01 76 G C C 41.64 6.83 12.07 20.73 95.92 -125.39 76.86 7.77 99.36 0.44 0.20 69.75 8.31 21.29 0.04 0.16 0.00 0.32 0.12 77 K C C 112.87 3.39 18.54 22.86 119.92 135.01 -84.17 145.92 84.16 15.78 0.07 72.64 11.12 0.47 0.02 0.07 0.00 14.34 1.36 78 A E E 43.89 14.13 14.90 29.01 116.20 -108.44 -74.57 142.65 4.35 95.61 0.03 4.12 0.25 0.02 0.05 0.01 0.00 67.07 28.48 79 D E E 36.39 14.24 17.60 32.19 129.04 -169.59 -125.16 155.48 41.38 58.58 0.03 36.46 3.19 0.16 0.00 0.03 0.00 59.91 0.26 80 R E E 101.27 10.23 22.19 32.54 118.17 -110.79 -95.76 136.21 20.17 79.81 0.03 17.64 1.94 0.09 0.00 0.02 0.00 79.73 0.58 81 V E E 21.43 20.28 16.39 36.38 120.30 -154.01 -106.11 135.05 8.75 91.25 0.01 8.40 0.21 0.01 0.00 0.00 0.00 91.24 0.14 82 G E E 12.57 11.66 21.98 34.53 137.29 167.01 -138.63 168.82 1.27 98.73 0.00 1.11 0.05 0.00 0.00 0.00 0.00 98.81 0.03 83 F E E 73.16 15.29 16.25 31.35 128.30 -134.98 -127.96 144.21 0.75 99.25 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.27 0.02 84 R E E 94.31 7.78 17.29 26.32 131.70 -176.59 -134.03 151.61 1.14 98.86 0.00 0.96 0.07 0.00 0.00 0.00 0.00 98.94 0.02 85 F E E 107.85 8.05 12.09 21.73 116.17 -131.03 -100.27 127.58 6.47 93.51 0.01 5.49 0.56 0.05 0.00 0.01 0.00 93.78 0.11 86 E E E 92.33 6.13 9.58 17.76 121.63 173.19 -133.83 126.48 12.04 87.73 0.23 6.41 3.28 1.90 0.03 0.24 0.00 87.61 0.54 87 D C T 137.91 0.39 11.56 10.48 92.93 -13.98 52.14 39.95 99.49 0.25 0.26 0.66 5.93 92.86 0.00 0.33 0.00 0.18 0.03 88 G C T 64.45 0.89 10.75 11.77 94.51 -50.15 79.25 2.72 99.64 0.12 0.23 0.68 6.96 91.95 0.00 0.31 0.00 0.09 0.01 89 K E E 120.12 2.79 12.37 16.97 125.36 104.30 -114.76 145.46 7.96 92.04 0.01 5.48 2.08 0.13 0.00 0.01 0.00 92.02 0.28 90 K E E 105.27 8.01 13.01 22.60 114.61 -119.57 -83.82 130.72 1.98 98.02 0.00 1.75 0.05 0.00 0.00 0.00 0.00 98.17 0.03 91 V E E 27.27 12.56 15.24 29.73 127.81 -173.62 -125.72 145.91 1.12 98.88 0.00 1.04 0.01 0.00 0.00 0.00 0.00 98.94 0.01 92 R E E 69.45 12.01 19.08 32.03 117.00 -133.62 -98.30 131.56 0.50 99.50 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.56 0.00 93 F E E 32.12 13.23 18.45 33.27 128.33 -172.93 -125.44 146.80 0.17 99.83 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.83 0.02 94 F E E 24.00 14.89 14.45 31.17 110.12 -117.44 -77.95 126.20 3.52 96.48 0.00 3.31 0.11 0.01 0.00 0.00 0.00 96.21 0.35 95 K C T 103.34 8.42 16.46 26.03 94.28 -149.38 -67.19 -32.90 98.09 1.32 0.59 1.31 3.53 93.47 0.02 0.55 0.00 1.01 0.12 96 S C T 76.05 3.43 16.21 20.26 97.25 47.67 -76.54 -37.25 98.98 0.32 0.69 0.30 2.12 96.72 0.01 0.61 0.00 0.17 0.08 97 N C T 83.97 4.49 14.12 19.75 102.04 19.89 -109.18 -6.96 99.19 0.21 0.60 0.94 3.44 94.81 0.02 0.62 0.00 0.13 0.04 98 S C C 71.49 6.86 12.88 21.41 94.73 -128.76 68.26 17.36 98.82 0.88 0.29 68.50 6.80 23.51 0.06 0.24 0.00 0.71 0.19 99 E C C 99.27 3.94 15.46 20.99 118.57 140.96 -79.85 145.10 77.91 22.01 0.08 71.88 4.72 0.38 0.01 0.07 0.00 22.17 0.77 100 T E E 79.41 7.12 14.42 23.09 114.50 -118.55 -84.70 132.89 3.52 96.45 0.03 3.21 0.24 0.02 0.05 0.01 0.00 72.69 23.79 101 I E E 52.20 14.19 10.05 24.43 114.26 -156.80 -98.20 127.53 37.38 62.54 0.08 37.49 0.52 0.10 0.03 0.04 0.00 60.68 1.13 102 K C C 142.63 3.18 16.60 20.82 111.55 -126.62 -87.54 126.10 99.55 0.45 0.00 99.59 0.05 0.01 0.00 0.00 0.00 0.33 0.01