# 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 T C C 77.16 6.36 13.40 21.08 117.81 -158.10 -100.90 139.83 99.86 0.11 0.04 99.75 0.10 0.05 0.02 0.00 0.00 0.04 0.03 1 T C C 81.37 6.18 10.20 17.85 110.18 -149.19 -90.61 115.38 85.70 2.75 11.56 80.48 2.01 4.22 8.41 2.19 0.00 1.56 1.13 2 K C C 135.83 3.40 11.04 15.95 105.07 158.65 -83.47 17.58 73.82 3.84 22.34 51.13 11.17 11.22 16.30 6.41 0.01 2.34 1.43 3 N C C 95.05 4.89 11.19 17.47 104.47 71.30 -86.96 40.89 70.24 3.68 26.08 47.98 11.29 10.70 18.79 7.67 0.01 2.30 1.26 4 F C C 101.77 8.04 9.93 19.15 103.52 108.14 -85.07 2.50 65.33 4.80 29.87 48.35 8.82 7.87 21.32 8.97 0.01 3.19 1.46 5 R C C 135.56 4.92 12.35 18.64 101.52 71.07 -78.85 -10.14 61.33 5.94 32.73 45.11 7.92 8.00 22.80 10.33 0.02 4.25 1.58 6 L C C 95.38 6.11 11.07 18.52 101.93 65.21 -77.90 -10.38 58.84 6.29 34.87 39.41 9.22 10.02 20.43 14.84 0.02 4.58 1.47 7 R C C 144.45 4.55 12.54 18.45 102.12 66.13 -82.95 0.78 62.34 6.83 30.82 38.96 10.99 12.36 16.80 14.23 0.04 4.85 1.76 8 F C C 108.10 8.28 10.28 19.64 106.08 76.07 -90.66 59.39 72.80 6.39 20.81 47.52 13.57 11.78 10.36 10.47 0.02 4.37 1.91 9 R C C 161.09 2.95 13.75 18.04 109.79 68.17 -95.57 110.12 85.36 5.07 9.57 62.29 15.80 7.26 4.82 4.69 0.00 3.35 1.80 10 I C C 79.77 10.23 9.12 20.21 116.74 -160.45 -89.77 134.92 92.59 2.10 5.32 74.17 15.23 3.37 2.28 2.88 0.00 1.23 0.85 11 P C C 78.09 5.99 11.90 19.58 110.34 -107.98 -67.33 145.40 91.09 1.02 7.90 65.66 10.87 14.24 2.13 6.08 0.00 0.59 0.44 12 Q C C 130.53 3.30 11.91 16.93 112.07 -136.31 -91.37 121.35 88.21 2.03 9.76 57.78 16.11 13.95 2.84 7.12 0.00 0.97 1.22 13 Y C C 116.00 8.23 9.33 18.82 114.73 -152.79 -98.20 123.53 90.25 1.00 8.74 67.07 19.50 3.97 5.24 3.16 0.00 0.41 0.65 14 P C C 87.34 4.66 11.88 18.11 102.75 -139.29 -69.46 -1.20 77.76 0.73 21.52 52.10 8.47 16.90 10.66 11.10 0.00 0.38 0.39 15 D C C 104.36 3.38 12.04 16.80 104.65 50.88 -87.04 32.70 70.30 1.49 28.20 36.28 13.11 21.24 14.51 13.30 0.02 0.71 0.84 16 I C C 91.36 7.53 10.29 19.12 104.64 144.34 -88.33 28.63 65.10 2.51 32.39 36.51 14.45 14.41 19.80 12.31 0.03 1.21 1.28 17 V C C 83.86 6.37 11.50 19.36 106.69 86.21 -83.34 97.79 68.35 2.31 29.34 42.02 13.99 12.25 23.33 6.22 0.02 1.11 1.07 18 G C C 43.01 5.07 13.14 19.42 107.33 48.60 -66.06 -39.03 68.66 1.44 29.91 41.90 14.00 12.28 25.52 4.96 0.01 0.65 0.68 19 S H H 66.13 5.05 12.95 19.31 104.64 -17.07 -79.03 -14.33 47.06 1.27 51.67 25.90 12.04 10.52 44.87 5.55 0.02 0.61 0.50 20 R H H 133.43 4.90 13.57 19.70 102.12 58.77 -76.65 -23.19 35.00 1.63 63.37 21.32 6.95 8.46 56.22 5.58 0.03 0.95 0.50 21 R H H 121.27 6.85 14.55 22.31 96.37 63.14 -69.72 -35.14 24.89 2.10 73.01 17.13 4.31 5.53 66.05 5.01 0.02 1.45 0.49 22 I H H 77.12 7.08 14.88 23.09 95.69 54.51 -68.67 -39.77 19.23 2.08 78.69 13.21 3.38 4.58 73.22 3.62 0.02 1.54 0.43 23 D H H 76.77 4.04 17.86 22.32 93.99 51.59 -67.18 -39.42 19.93 1.08 78.99 14.05 3.00 4.40 75.01 2.58 0.01 0.67 0.28 24 K H H 81.13 8.74 17.13 26.77 93.08 52.07 -66.17 -39.92 15.26 0.33 84.41 9.47 2.49 3.98 82.28 1.49 0.01 0.16 0.12 25 D H H 43.98 12.01 16.60 29.35 92.37 51.83 -65.17 -39.96 10.37 0.13 89.50 6.36 1.48 2.85 88.24 0.94 0.00 0.06 0.05 26 Q H H 90.52 4.01 21.01 25.06 92.05 51.22 -64.48 -40.53 4.19 0.04 95.78 2.10 0.57 1.53 95.22 0.54 0.00 0.01 0.02 27 T H H 59.56 5.90 21.09 27.53 91.86 50.41 -64.68 -41.70 2.46 0.02 97.52 1.18 0.33 0.99 97.09 0.39 0.00 0.01 0.01 28 R H H 41.55 17.56 17.72 34.88 92.08 50.59 -63.80 -41.79 1.35 0.01 98.64 0.58 0.16 0.59 98.39 0.26 0.00 0.01 0.01 29 R H H 99.21 9.94 20.76 30.84 91.44 51.15 -63.28 -41.53 1.12 0.01 98.87 0.42 0.12 0.54 98.71 0.20 0.00 0.00 0.00 30 V H H 74.67 2.78 23.34 25.00 91.39 49.90 -63.72 -42.36 0.96 0.01 99.03 0.32 0.10 0.48 98.94 0.15 0.00 0.00 0.00 31 L H H 26.36 12.69 19.30 33.16 91.70 49.77 -63.92 -42.66 0.74 0.00 99.25 0.21 0.07 0.41 99.13 0.17 0.00 0.00 0.00 32 Y H H 24.33 19.65 15.41 35.01 91.62 50.19 -63.86 -41.52 0.50 0.00 99.50 0.09 0.04 0.33 99.30 0.24 0.00 0.00 0.00 33 D H H 92.36 3.48 20.43 24.32 91.46 50.97 -64.79 -37.98 0.95 0.00 99.04 0.08 0.05 0.76 98.59 0.52 0.00 0.00 0.00 34 Q H H 116.04 2.56 20.25 22.47 92.35 49.24 -70.13 -32.79 5.99 0.00 94.00 0.09 0.16 6.08 92.94 0.72 0.00 0.00 0.00 35 H H H 35.05 16.51 13.46 30.29 99.59 37.66 -104.78 -0.54 32.46 0.02 67.52 0.80 0.99 30.17 66.85 1.16 0.01 0.00 0.01 36 E H H 70.68 12.47 15.53 28.63 93.16 99.00 -58.66 -43.08 1.04 0.00 98.96 0.26 0.08 0.50 98.78 0.38 0.00 0.00 0.00 37 V H H 87.60 2.11 21.80 22.42 91.75 50.76 -64.27 -41.22 0.34 0.00 99.66 0.03 0.02 0.23 99.45 0.27 0.00 0.00 0.00 38 D H H 51.76 10.57 19.42 30.53 92.26 49.50 -65.98 -39.92 0.12 0.00 99.88 0.01 0.00 0.07 99.68 0.23 0.00 0.00 0.00 39 R H H 42.41 18.22 16.36 34.10 91.81 52.11 -63.68 -41.42 0.06 0.00 99.94 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 40 R H H 130.17 3.48 23.18 26.58 91.54 51.21 -63.83 -40.84 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 41 L H H 74.82 5.74 22.30 28.35 91.66 50.52 -64.22 -41.75 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 42 Y H H 17.85 20.64 17.31 37.82 91.57 49.79 -64.28 -42.48 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 43 K H H 82.91 11.59 21.31 32.60 91.48 51.63 -62.68 -41.13 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 44 A H H 51.78 3.04 22.77 25.12 91.44 50.96 -63.61 -41.66 0.28 0.00 99.72 0.01 0.01 0.25 99.62 0.12 0.00 0.00 0.00 45 M H H 35.06 13.11 18.15 32.16 92.03 49.90 -65.92 -38.93 1.31 0.00 98.69 0.04 0.04 1.18 98.26 0.48 0.00 0.00 0.00 46 T H H 23.12 18.35 14.64 32.93 91.36 55.58 -66.62 -29.18 17.09 0.01 82.89 0.32 0.45 16.81 81.43 0.97 0.01 0.00 0.01 47 R C T 161.65 2.50 20.09 22.66 94.41 53.27 -87.10 -5.62 61.24 0.07 38.69 1.81 2.66 54.50 39.46 1.48 0.01 0.02 0.06 48 D C C 50.14 10.68 10.07 22.35 108.57 112.78 -78.13 116.59 98.59 0.50 0.91 91.02 6.38 1.01 0.54 0.25 0.00 0.13 0.67 49 E C T 155.37 2.02 13.28 16.95 94.17 -167.58 -74.41 -14.25 99.10 0.21 0.70 5.14 15.82 78.21 0.15 0.48 0.00 0.11 0.10 50 S C T 95.06 0.85 14.69 14.47 93.28 62.55 -82.91 -7.87 99.34 0.26 0.41 4.89 15.97 78.50 0.05 0.33 0.00 0.17 0.07 51 L C S 36.68 14.82 6.55 20.88 121.47 94.56 -84.88 148.57 99.50 0.41 0.10 16.52 82.76 0.30 0.03 0.03 0.00 0.10 0.27 52 T C C 78.50 2.02 17.50 18.68 115.84 -102.15 -65.75 151.27 99.79 0.15 0.05 99.35 0.45 0.05 0.03 0.00 0.00 0.04 0.09 53 L H H 102.73 6.72 12.28 20.75 91.99 -109.31 -57.37 -39.30 1.77 0.00 98.23 0.38 0.25 0.90 97.96 0.50 0.00 0.00 0.00 54 P H H 87.37 2.14 17.22 19.11 91.60 53.47 -64.07 -39.71 1.18 0.00 98.81 0.17 0.10 0.77 98.31 0.66 0.00 0.00 0.00 55 V H H 53.24 7.27 16.52 25.23 92.04 48.66 -66.19 -40.63 0.53 0.00 99.47 0.11 0.05 0.29 98.92 0.63 0.00 0.00 0.00 56 R H H 49.62 15.52 14.79 30.49 91.74 51.59 -63.00 -42.35 0.42 0.00 99.58 0.10 0.04 0.20 99.43 0.22 0.00 0.00 0.00 57 L H H 62.64 7.05 19.41 27.50 91.86 49.94 -63.66 -41.17 1.10 0.01 98.88 0.23 0.09 0.65 98.80 0.22 0.00 0.01 0.00 58 Q H H 88.53 3.82 22.15 25.63 91.77 50.35 -64.18 -41.44 2.36 0.02 97.62 0.46 0.18 1.53 97.48 0.33 0.00 0.01 0.00 59 V H H 18.59 14.46 17.34 33.03 91.63 50.22 -63.70 -42.69 3.76 0.03 96.21 1.17 0.40 1.96 95.81 0.63 0.00 0.01 0.01 60 Q H H 52.16 14.91 18.64 33.19 92.05 50.65 -63.83 -41.18 7.62 0.05 92.33 3.11 0.65 3.50 91.61 1.07 0.00 0.02 0.02 61 R H H 122.63 5.19 20.74 26.26 91.77 50.54 -64.51 -40.92 10.83 0.07 89.10 2.90 1.00 6.50 87.74 1.77 0.01 0.03 0.03 62 L H H 64.61 6.88 19.86 27.52 92.91 48.86 -66.14 -41.11 13.95 0.18 85.87 3.98 1.70 8.39 82.70 3.02 0.03 0.09 0.08 63 F H H 52.21 14.53 17.23 31.73 92.61 49.52 -65.58 -41.34 11.86 0.20 87.94 3.55 1.34 6.81 79.36 8.71 0.03 0.13 0.07 64 E H H 59.73 14.28 16.02 30.33 92.31 51.63 -65.62 -36.14 7.95 0.11 91.94 1.40 0.79 4.95 70.02 22.72 0.02 0.08 0.03 65 T H H 87.60 4.07 18.52 22.93 92.89 52.66 -73.39 -24.30 19.17 0.09 80.74 1.34 1.30 14.76 59.32 23.14 0.04 0.05 0.05 66 E H H 112.80 5.47 18.13 24.39 95.94 50.58 -88.59 -11.63 44.01 0.16 55.83 2.68 3.77 35.12 35.48 22.66 0.05 0.07 0.15 67 M C S 30.27 19.81 9.82 28.73 115.71 97.42 -80.72 137.32 99.50 0.19 0.31 18.98 80.17 0.42 0.20 0.05 0.00 0.04 0.14 68 P C C 61.39 5.79 18.76 25.52 113.59 -109.84 -65.45 148.39 96.82 0.96 2.21 94.03 1.71 1.28 0.75 1.04 0.00 0.32 0.87 69 R C T 125.75 11.18 14.67 26.06 94.62 -113.60 -62.22 -28.98 68.02 0.78 31.20 9.09 9.88 46.99 2.13 31.00 0.00 0.40 0.50 70 D C T 88.92 7.15 16.85 24.84 97.31 51.14 -80.39 10.62 70.42 0.66 28.92 8.76 8.51 50.21 1.83 29.97 0.00 0.37 0.35 71 S C C 45.35 11.01 15.45 27.17 97.99 110.35 -85.42 -6.20 70.65 1.46 27.89 35.40 18.14 13.86 2.02 28.98 0.00 0.66 0.94 72 A C C 26.80 14.52 13.32 28.34 118.79 86.77 -88.75 142.02 94.18 1.57 4.24 50.72 40.98 2.28 2.45 1.47 0.00 0.37 1.73 73 P C T 83.89 6.22 19.07 26.24 93.23 -124.48 -64.33 -23.59 74.98 0.47 24.55 7.67 9.31 57.23 9.87 15.25 0.01 0.23 0.43 74 S C T 39.57 13.95 16.58 30.47 94.32 61.01 -82.04 -9.90 73.59 0.90 25.52 9.24 7.97 55.29 11.83 14.53 0.03 0.49 0.63 75 R C C 70.78 16.97 16.12 32.21 97.48 82.79 -72.38 -7.68 64.31 5.21 30.48 33.63 18.39 13.09 14.49 14.85 0.06 2.22 3.26 76 I C C 77.17 11.16 20.17 31.01 99.62 69.05 -88.29 -14.86 66.17 9.73 24.10 39.80 16.25 10.13 14.31 9.41 0.07 5.30 4.73 77 V C C 57.86 10.96 21.24 32.41 118.29 63.57 -107.26 134.07 71.08 13.69 15.23 51.56 12.55 6.72 9.24 6.17 0.06 8.79 4.92 78 D C C 32.67 18.20 18.47 36.17 109.71 -151.89 -100.49 88.99 74.82 18.65 6.52 57.95 11.67 4.99 3.48 3.20 0.01 16.06 2.65 79 R E B 89.52 10.04 22.72 33.05 125.72 110.43 -111.42 142.70 19.04 80.56 0.40 14.32 1.14 0.12 0.32 0.06 0.00 14.75 69.27 80 C C C 7.93 20.93 13.43 35.32 110.30 -110.64 -69.71 132.18 92.60 7.32 0.08 93.43 0.57 0.10 0.03 0.02 0.00 3.28 2.56 81 V C T 75.59 8.05 20.22 29.37 92.64 -144.26 -68.61 -26.56 99.73 0.10 0.17 0.50 4.00 95.31 0.01 0.09 0.00 0.05 0.03 82 L C T 70.36 11.10 17.49 28.81 99.67 43.25 -83.12 -42.00 99.82 0.05 0.14 0.08 2.09 97.73 0.00 0.07 0.00 0.02 0.02 83 T C T 60.66 7.02 16.20 24.51 101.93 18.79 -108.16 -15.65 99.85 0.04 0.11 0.23 2.62 97.05 0.01 0.06 0.00 0.02 0.01 84 G C C 43.06 6.45 15.43 23.23 94.69 -120.73 81.31 6.61 99.42 0.48 0.10 72.53 21.52 5.32 0.02 0.09 0.00 0.19 0.33 85 R C C 107.42 6.39 16.50 24.55 118.70 137.40 -80.85 145.51 95.29 4.65 0.06 72.39 23.18 0.28 0.02 0.04 0.00 2.32 1.76 86 V E B 78.15 8.46 18.61 27.62 112.63 -101.84 -66.69 142.64 15.57 84.19 0.24 11.75 1.85 0.17 0.20 0.06 0.00 19.13 66.85 87 R C C 89.23 14.81 18.00 31.83 113.74 -133.77 -104.44 115.50 81.99 17.57 0.45 64.62 14.99 2.09 0.09 0.49 0.00 14.45 3.27 88 G C C 17.55 15.01 18.93 33.65 126.25 65.04 -133.17 165.12 82.07 17.19 0.74 53.34 26.56 2.41 0.21 0.63 0.00 13.50 3.35 89 L C E 62.24 12.22 20.56 32.86 114.05 -125.14 -100.38 123.69 61.55 37.80 0.65 28.64 31.45 2.23 0.22 0.50 0.01 31.60 5.35 90 V E E 26.11 18.23 14.41 32.48 109.15 87.17 -101.94 106.46 21.81 76.96 1.23 15.25 4.05 0.58 1.03 0.40 0.02 47.44 31.22 91 K C G 124.00 6.41 17.16 25.13 96.27 -168.35 -69.00 -36.84 48.31 4.41 47.27 5.66 5.44 37.15 2.69 44.88 0.03 3.57 0.58 92 F C T 138.43 4.15 18.35 23.31 93.40 48.16 -68.77 -35.19 55.52 0.79 43.68 0.91 2.99 50.34 1.88 43.09 0.01 0.54 0.24 93 A C T 27.99 15.15 15.77 31.12 95.63 36.64 -94.69 -9.06 49.86 0.41 49.73 0.60 2.16 47.02 3.18 46.64 0.01 0.25 0.14 94 G C T 28.61 8.61 22.21 32.10 94.85 -120.31 72.96 19.83 95.07 3.64 1.29 6.68 8.15 80.74 0.27 0.91 0.00 2.64 0.61 95 L E E 12.59 20.92 17.34 38.52 127.34 132.14 -110.73 149.02 23.58 76.09 0.34 17.66 4.37 0.42 0.30 0.12 0.00 42.10 35.03 96 S C C 15.17 14.16 23.05 37.91 121.46 -117.60 -77.49 161.64 68.83 30.90 0.27 69.33 1.04 0.09 0.26 0.05 0.00 24.69 4.53 97 R H H 64.81 17.65 20.45 37.58 91.95 -108.76 -59.98 -37.95 4.14 0.01 95.85 0.40 0.71 2.72 95.92 0.23 0.01 0.00 0.00 98 I H H 69.17 8.31 25.05 33.76 91.98 53.28 -64.00 -41.94 1.97 0.01 98.02 0.12 0.18 1.68 97.75 0.26 0.01 0.00 0.00 99 M H H 32.86 14.86 22.98 37.88 91.79 48.53 -65.17 -41.99 0.45 0.00 99.54 0.05 0.03 0.31 99.39 0.22 0.00 0.00 0.00 100 L H H 3.40 25.83 18.34 44.46 91.37 50.61 -63.46 -43.57 0.16 0.00 99.84 0.02 0.01 0.08 99.82 0.07 0.00 0.00 0.00 101 R H H 78.85 12.62 22.57 34.79 91.59 51.00 -63.60 -41.86 0.21 0.00 99.79 0.02 0.01 0.13 99.78 0.07 0.00 0.00 0.00 102 Q H H 77.67 5.44 23.54 29.09 91.94 49.65 -64.69 -41.49 0.42 0.00 99.58 0.02 0.02 0.30 99.56 0.09 0.00 0.00 0.00 103 L H H 17.05 15.52 17.77 34.29 91.97 49.67 -64.39 -41.86 0.70 0.00 99.29 0.06 0.06 0.50 98.99 0.38 0.00 0.00 0.00 104 I H H 31.28 17.07 15.06 32.00 92.13 50.71 -64.13 -41.58 1.33 0.01 98.66 0.13 0.08 1.05 96.51 2.20 0.01 0.01 0.00 105 H H H 125.69 4.28 17.96 23.30 91.31 52.18 -66.18 -29.53 5.27 0.02 94.71 0.12 0.16 5.51 92.02 2.15 0.02 0.01 0.01 106 Y C T 141.04 3.54 16.62 20.78 93.30 50.97 -87.01 -2.09 71.02 0.04 28.95 0.19 1.11 70.98 26.10 1.55 0.01 0.01 0.05 107 G C T 44.95 7.02 15.46 23.72 95.04 -111.08 81.79 10.89 99.54 0.02 0.44 0.69 2.74 96.27 0.21 0.07 0.00 0.01 0.01 108 H C S 87.73 9.13 18.13 28.17 94.51 122.39 -76.66 -25.41 99.55 0.35 0.10 17.68 80.68 1.25 0.03 0.05 0.00 0.12 0.19 109 I C S 9.65 23.43 12.93 36.18 111.62 34.76 -119.46 91.77 97.85 1.86 0.29 25.57 70.36 1.91 0.07 0.20 0.00 0.66 1.24 110 G C T 35.49 7.88 22.41 30.69 112.57 -153.27 -69.99 142.61 96.87 2.33 0.81 27.58 24.12 45.11 0.09 0.91 0.00 1.37 0.82 111 G C T 34.69 9.13 21.52 31.07 97.90 19.83 85.73 -2.06 88.28 10.52 1.20 21.79 21.76 45.28 0.18 1.22 0.00 7.96 1.81 112 V C C 23.89 22.30 13.23 34.82 115.47 141.27 -83.27 132.36 65.63 33.68 0.70 57.20 6.32 0.77 0.36 0.42 0.00 22.31 12.63 113 A C C 50.16 8.06 20.95 29.56 129.41 -172.26 -121.71 152.33 61.62 37.04 1.33 54.66 4.10 1.15 0.60 0.86 0.00 31.34 7.28 114 K C C 106.84 10.77 15.75 26.90 113.04 -106.07 -72.62 137.81 63.54 25.19 11.27 45.17 11.91 6.76 2.16 9.46 0.02 21.84 2.69 115 A C C 53.24 11.06 11.39 22.92 110.23 -132.89 -79.63 127.18 78.04 7.83 14.14 41.98 20.30 15.55 1.31 13.78 0.00 5.97 1.11 116 S C C 82.60 3.30 12.32 16.97 106.71 -136.93 -90.90 38.68 85.18 4.69 10.12 68.53 3.92 12.59 1.35 9.05 0.00 3.51 1.05 117 W C C 147.29 7.74 11.90 20.60 104.36 81.25 -88.08 16.10 99.71 0.21 0.08 99.54 0.15 0.12 0.03 0.02 0.00 0.12 0.03