# 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 21.16 19.17 17.01 35.49 119.17 -156.81 -96.82 140.26 99.70 0.29 0.01 99.60 0.15 0.04 0.01 0.00 0.00 0.18 0.02 1 R E E 120.20 7.54 21.04 29.31 122.56 -152.76 -112.71 135.85 36.75 62.85 0.40 34.29 1.31 0.29 0.26 0.17 0.00 45.65 18.01 2 I E E 23.64 20.68 12.75 32.93 116.97 -161.14 -114.31 122.09 15.55 83.51 0.94 8.79 3.59 1.27 0.72 0.47 0.01 55.29 29.85 3 A C T 50.48 11.69 15.63 28.09 94.60 -16.43 55.50 40.78 98.00 0.96 1.03 0.74 2.79 94.91 0.09 0.67 0.00 0.58 0.21 4 G C T 59.00 2.26 17.89 20.22 94.99 -50.45 80.80 2.65 99.27 0.21 0.52 0.73 3.28 95.36 0.03 0.41 0.00 0.14 0.04 5 I E E 46.30 14.77 11.21 26.49 121.56 114.18 -104.99 135.19 19.75 79.89 0.36 10.45 7.44 1.77 0.19 0.24 0.00 54.02 25.88 6 N C C 108.92 3.09 20.69 24.21 108.63 -131.59 -88.58 114.81 55.52 44.38 0.09 47.76 5.69 0.95 0.03 0.09 0.00 42.14 3.36 7 I C C 17.76 22.72 9.73 31.54 116.51 -162.69 -99.28 126.74 95.53 4.25 0.21 93.15 2.39 0.25 0.06 0.11 0.00 3.48 0.56 8 P C C 61.48 6.08 18.98 25.91 113.68 -114.48 -67.56 149.26 94.89 1.19 3.91 83.88 4.38 6.13 0.43 4.00 0.00 0.73 0.45 9 D C T 95.27 7.29 16.25 24.58 99.22 -111.76 -71.34 -2.99 90.88 0.55 8.57 9.43 26.09 54.77 0.65 8.49 0.00 0.29 0.27 10 H C T 107.24 8.88 17.78 27.04 100.54 59.82 -89.63 28.49 85.96 4.01 10.03 22.45 16.59 47.10 1.14 9.00 0.00 2.94 0.78 11 K C C 73.52 14.07 17.80 31.64 114.10 136.64 -85.23 136.84 80.24 15.98 3.78 58.21 19.65 2.16 1.86 1.97 0.00 11.73 4.43 12 H E B 60.73 14.16 24.43 37.62 115.62 -130.08 -82.52 142.46 35.45 62.16 2.39 31.55 1.44 0.30 2.24 0.22 0.00 15.39 48.86 13 A H H 3.01 26.25 20.64 47.09 92.73 -124.82 -61.64 -38.88 2.99 0.01 97.00 0.37 0.28 2.21 95.68 1.44 0.00 0.01 0.00 14 V H H 19.00 20.99 24.11 43.88 91.44 54.55 -63.65 -41.61 1.04 0.01 98.95 0.09 0.08 0.84 97.51 1.48 0.00 0.01 0.00 15 I H H 50.39 10.39 27.88 39.14 91.68 50.59 -64.59 -41.69 0.25 0.00 99.75 0.02 0.02 0.20 98.16 1.60 0.00 0.00 0.00 16 A H H 5.12 21.87 23.49 44.94 91.64 51.06 -64.50 -42.35 0.37 0.00 99.62 0.03 0.02 0.29 97.49 2.17 0.00 0.00 0.00 17 L H H 2.11 26.88 20.96 48.14 91.22 51.70 -65.89 -36.23 1.57 0.01 98.42 0.06 0.08 1.47 91.29 7.08 0.00 0.01 0.00 18 T H H 46.53 15.14 22.99 37.46 91.13 60.09 -69.79 -23.28 17.55 0.03 82.42 0.24 0.44 17.74 72.56 8.95 0.03 0.01 0.02 19 S C T 46.64 11.35 23.49 35.33 92.41 60.46 -82.19 -8.87 67.26 0.11 32.63 1.61 2.82 63.20 27.69 4.52 0.01 0.04 0.10 20 I C S 11.21 23.81 15.82 39.77 118.10 93.00 -87.69 136.76 94.03 4.09 1.88 7.34 82.88 2.99 1.67 0.18 0.01 0.66 4.28 21 Y C T 101.93 12.10 23.27 34.87 109.03 -92.22 -68.05 123.95 98.14 0.46 1.40 0.54 13.21 84.89 0.39 0.48 0.00 0.17 0.32 22 G C T 35.62 8.89 22.47 31.84 96.46 10.95 85.70 -2.75 99.52 0.10 0.38 1.26 14.86 83.53 0.10 0.16 0.00 0.05 0.03 23 V C C 8.13 24.29 12.52 36.86 116.53 113.66 -102.74 126.12 94.82 4.84 0.34 72.82 19.42 0.77 0.24 0.10 0.00 0.90 5.73 24 G C C 27.90 6.15 23.89 29.96 126.45 -158.12 -92.57 167.20 99.45 0.33 0.22 98.33 1.08 0.12 0.15 0.02 0.00 0.09 0.21 25 K H H 110.32 12.04 16.23 28.23 92.05 -99.45 -59.90 -37.87 3.56 0.01 96.44 0.52 0.59 1.94 96.70 0.25 0.00 0.00 0.00 26 T H H 91.50 2.10 23.03 24.16 91.78 51.99 -64.44 -40.99 1.91 0.00 98.08 0.26 0.18 1.21 98.11 0.24 0.00 0.00 0.00 27 R H H 77.49 12.67 21.02 33.33 92.17 48.04 -66.57 -40.56 0.38 0.00 99.61 0.08 0.03 0.19 99.57 0.13 0.00 0.00 0.00 28 S H H 2.31 25.74 15.66 41.83 91.08 51.08 -62.70 -43.03 0.10 0.00 99.90 0.02 0.00 0.04 99.92 0.02 0.00 0.00 0.00 29 K H H 98.27 9.67 23.91 33.66 91.26 51.12 -63.02 -41.25 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.01 0.00 0.00 0.00 30 A H H 46.35 4.85 25.80 30.94 91.57 50.94 -63.84 -42.62 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 31 I H H 6.07 22.50 20.96 43.33 91.62 48.77 -64.28 -44.06 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 32 L H H 6.14 23.67 18.52 42.11 91.37 49.95 -62.80 -43.41 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 33 A H H 67.22 4.51 23.12 28.13 91.51 50.70 -63.18 -40.86 0.14 0.00 99.86 0.00 0.00 0.11 99.82 0.06 0.00 0.00 0.00 34 A H H 58.72 7.95 20.81 29.41 90.71 52.70 -65.81 -30.86 1.81 0.00 98.19 0.02 0.02 1.94 97.90 0.13 0.00 0.00 0.00 35 A C T 14.33 19.79 15.04 35.04 92.95 49.69 -87.81 -3.33 61.63 0.01 38.37 0.12 0.45 61.81 37.21 0.40 0.00 0.00 0.01 36 G C T 52.16 2.60 23.42 26.10 94.67 -112.53 76.40 20.40 99.90 0.00 0.10 0.79 0.49 98.67 0.03 0.01 0.00 0.00 0.00 37 I C C 13.36 23.18 10.76 33.48 120.03 140.42 -100.62 138.33 99.25 0.67 0.08 96.64 2.44 0.08 0.03 0.03 0.00 0.16 0.63 38 A C C 52.33 4.65 23.07 27.48 115.61 -111.32 -72.21 145.84 99.31 0.49 0.20 98.73 0.51 0.20 0.04 0.09 0.00 0.15 0.29 39 E C T 90.92 15.56 13.45 28.42 92.55 -124.09 -63.98 -25.95 99.38 0.23 0.39 1.23 6.37 91.83 0.04 0.33 0.00 0.13 0.08 40 D C T 115.40 1.64 20.50 21.56 94.47 56.13 -90.22 2.62 99.48 0.22 0.30 1.89 5.20 92.36 0.02 0.33 0.00 0.16 0.03 41 V C C 26.10 15.51 12.93 29.64 116.21 123.94 -72.45 140.40 99.21 0.75 0.04 69.82 29.38 0.14 0.01 0.03 0.00 0.33 0.29 42 K E B 86.56 6.00 24.00 30.24 116.25 -119.99 -78.95 143.57 35.82 64.13 0.05 32.23 0.38 0.01 0.03 0.01 0.00 4.32 63.01 43 I H G 10.09 25.03 12.64 38.04 91.19 -119.23 -58.05 -36.55 6.75 0.05 93.19 0.40 0.49 4.59 0.48 94.00 0.00 0.04 0.00 44 S H G 65.04 8.13 19.66 28.68 89.71 62.67 -68.45 -18.63 6.25 0.02 93.73 0.11 0.27 4.89 0.32 94.40 0.00 0.01 0.00 45 E H G 124.93 3.02 21.26 24.37 94.09 55.17 -92.84 -3.25 6.89 0.03 93.08 0.32 0.59 4.44 0.37 94.27 0.00 0.01 0.00 46 L C C 13.51 23.67 7.49 29.42 118.51 107.31 -75.20 141.48 99.07 0.50 0.42 61.89 36.79 0.26 0.17 0.17 0.00 0.09 0.64 47 S C C 59.19 2.38 21.31 22.40 123.25 -128.38 -83.18 165.88 99.30 0.37 0.33 97.89 1.28 0.06 0.28 0.02 0.00 0.06 0.40 48 E H H 135.21 4.64 13.97 20.76 90.98 -100.32 -57.98 -37.56 1.56 0.00 98.44 0.16 0.22 1.06 98.00 0.56 0.00 0.00 0.00 49 G H H 48.16 1.47 18.96 19.01 91.63 53.15 -63.58 -39.78 1.00 0.00 99.00 0.08 0.07 0.76 98.26 0.83 0.00 0.00 0.00 50 Q H H 48.51 13.41 16.67 30.40 92.24 49.09 -66.90 -39.64 0.40 0.00 99.60 0.07 0.03 0.24 98.98 0.67 0.00 0.00 0.00 51 I H H 13.88 20.65 14.67 35.38 91.47 52.09 -62.72 -43.16 0.12 0.00 99.88 0.02 0.01 0.06 99.83 0.08 0.00 0.00 0.00 52 D H H 79.13 2.97 23.05 25.32 91.33 50.89 -63.68 -40.92 0.16 0.00 99.84 0.02 0.01 0.09 99.83 0.04 0.00 0.00 0.00 53 T H H 57.95 5.16 22.06 27.59 91.40 50.31 -64.30 -41.50 0.21 0.00 99.79 0.02 0.01 0.15 99.78 0.05 0.00 0.00 0.00 54 L H H 4.88 24.01 15.91 40.17 91.65 50.30 -64.03 -42.52 0.18 0.00 99.82 0.02 0.01 0.12 99.80 0.06 0.00 0.00 0.00 55 R H H 93.88 13.51 20.10 32.89 91.38 52.25 -61.72 -41.67 0.16 0.00 99.84 0.02 0.01 0.10 99.81 0.06 0.00 0.00 0.00 56 D H H 92.45 1.60 23.53 22.89 91.89 49.77 -64.77 -40.73 0.33 0.00 99.67 0.02 0.01 0.25 99.52 0.20 0.00 0.00 0.00 57 E H H 47.83 11.14 18.71 30.82 92.07 49.70 -65.38 -41.27 0.89 0.00 99.11 0.05 0.03 0.74 98.71 0.47 0.00 0.00 0.00 58 V H H 10.70 22.67 13.19 35.51 92.09 50.87 -66.28 -37.89 3.98 0.01 96.02 0.33 0.26 3.15 94.54 1.71 0.00 0.00 0.00 59 A H H 65.07 6.21 17.58 24.97 91.03 59.32 -67.79 -23.43 34.99 0.06 64.95 1.66 1.36 31.19 62.52 3.18 0.02 0.02 0.04 60 K C T 148.26 1.66 19.21 20.10 94.31 53.94 -82.74 -13.70 62.36 0.13 37.51 3.99 3.55 52.79 35.78 3.73 0.01 0.06 0.09 61 F C C 52.51 17.30 11.19 27.87 115.45 82.79 -98.40 125.90 86.34 2.45 11.21 55.49 20.92 9.40 9.33 2.58 0.01 1.34 0.92 62 V C C 92.93 5.88 18.79 26.02 117.55 -159.91 -105.40 128.23 81.30 15.78 2.92 76.42 2.91 1.80 2.24 0.76 0.00 11.54 4.31 63 V C C 36.97 18.15 10.86 28.44 119.31 -164.97 -107.86 132.10 74.62 22.75 2.63 68.84 3.74 1.39 2.23 0.72 0.00 16.25 6.83 64 E C C 129.24 3.45 17.58 22.09 115.29 -145.28 -95.74 136.25 78.56 13.05 8.39 63.94 8.38 5.17 7.35 1.89 0.01 11.05 2.21 65 G C C 36.89 5.97 16.02 23.01 126.04 52.94 133.67 -173.23 70.32 3.64 26.04 30.88 25.00 14.32 22.97 3.67 0.07 2.00 1.07 66 D C C 85.63 4.44 18.09 22.91 105.80 -51.00 -84.31 91.92 60.58 1.30 38.12 43.13 6.69 9.38 36.72 2.94 0.01 0.63 0.51 67 L H H 34.71 17.93 12.71 30.27 94.44 -161.47 -65.70 -34.53 14.91 0.20 84.89 9.43 2.11 3.98 82.34 1.97 0.00 0.10 0.07 68 R H H 114.42 9.87 17.17 27.54 91.59 56.17 -62.60 -41.04 4.05 0.05 95.89 1.99 0.59 1.57 94.63 1.18 0.00 0.03 0.02 69 R H H 143.16 2.21 20.39 21.99 92.07 49.88 -65.67 -40.24 2.09 0.03 97.88 1.01 0.29 0.85 97.00 0.83 0.00 0.02 0.01 70 E H H 80.30 7.89 19.57 28.16 92.27 50.01 -65.24 -41.19 1.22 0.02 98.76 0.54 0.15 0.52 98.39 0.39 0.00 0.01 0.00 71 I H H 20.69 18.63 16.43 35.08 91.92 49.07 -64.29 -42.74 1.02 0.01 98.96 0.41 0.11 0.46 98.78 0.23 0.00 0.01 0.00 72 S H H 42.63 8.08 20.33 29.19 91.72 51.01 -63.03 -41.91 1.01 0.01 98.99 0.32 0.08 0.49 98.92 0.18 0.00 0.00 0.00 73 M H H 88.99 2.87 22.96 24.91 91.64 49.96 -64.30 -41.32 0.71 0.00 99.29 0.16 0.06 0.41 99.24 0.14 0.00 0.00 0.00 74 S H H 20.10 13.61 19.58 33.90 91.82 50.57 -64.63 -41.65 0.77 0.00 99.22 0.12 0.05 0.49 99.23 0.11 0.00 0.00 0.00 75 I H H 22.49 18.78 17.84 36.39 91.70 50.45 -63.79 -42.18 0.34 0.00 99.66 0.04 0.02 0.20 99.68 0.06 0.00 0.00 0.00 76 K H H 117.68 3.37 23.11 26.34 91.50 51.12 -63.33 -41.59 0.22 0.00 99.78 0.03 0.01 0.13 99.78 0.05 0.00 0.00 0.00 77 R H H 111.42 4.48 21.90 26.46 91.73 49.54 -64.91 -41.20 0.38 0.00 99.62 0.03 0.02 0.26 99.60 0.09 0.00 0.00 0.00 78 L H H 14.49 18.27 14.80 33.56 91.87 50.58 -64.34 -41.68 0.46 0.00 99.53 0.05 0.03 0.30 99.39 0.24 0.00 0.00 0.00 79 M H H 74.59 11.36 16.32 28.07 91.94 51.05 -63.99 -40.73 0.89 0.00 99.10 0.09 0.05 0.64 98.68 0.55 0.00 0.00 0.00 80 D H H 114.95 1.38 19.51 20.03 90.97 52.77 -66.11 -28.57 5.72 0.00 94.27 0.14 0.18 5.36 93.80 0.51 0.00 0.00 0.00 81 L C T 75.36 8.69 15.27 25.14 93.31 52.99 -85.87 -5.79 54.71 0.03 45.27 0.41 1.26 52.53 45.00 0.77 0.01 0.01 0.02 82 G C T 42.86 5.22 19.75 25.71 98.60 -104.46 85.48 12.92 99.36 0.04 0.60 7.54 3.27 88.67 0.39 0.09 0.00 0.02 0.01 83 C C C 22.52 16.54 13.26 30.30 117.60 148.66 -78.44 147.36 96.01 1.59 2.40 89.79 5.18 0.58 2.18 0.27 0.00 0.35 1.65 84 Y H H 108.64 9.18 20.91 30.69 93.52 -130.81 -65.29 -36.47 11.77 0.10 88.14 2.16 3.08 7.11 86.19 1.32 0.04 0.03 0.06 85 R H H 95.98 10.40 21.16 31.53 92.53 55.29 -65.18 -41.55 5.13 0.03 94.84 0.60 0.62 3.77 93.78 1.19 0.01 0.01 0.01 86 G H H 8.33 12.46 17.24 31.56 91.87 51.19 -63.79 -42.17 3.23 0.03 96.74 0.82 0.39 1.90 95.21 1.65 0.01 0.02 0.01 87 L H H 43.50 8.86 18.75 29.14 91.83 50.27 -64.28 -42.20 1.78 0.03 98.20 0.46 0.24 0.98 97.32 0.98 0.00 0.01 0.01 88 R H H 71.78 8.47 17.09 26.99 92.26 50.04 -64.56 -42.12 1.81 0.03 98.15 0.43 0.23 1.08 97.31 0.93 0.01 0.02 0.01 89 H H H 78.12 9.86 15.09 25.85 92.51 49.58 -65.14 -41.06 2.03 0.02 97.95 0.31 0.15 1.40 96.46 1.66 0.00 0.01 0.00 90 R H H 134.30 6.27 15.69 23.31 91.60 50.91 -66.63 -31.26 7.46 0.02 92.52 0.33 0.36 6.68 91.00 1.60 0.02 0.01 0.01 91 R C T 135.84 4.22 14.94 20.24 94.03 48.60 -90.57 1.11 63.44 0.03 36.53 0.47 1.26 62.09 34.62 1.52 0.01 0.01 0.03 92 G C T 57.85 1.82 16.12 18.26 95.23 -107.58 80.10 14.84 99.63 0.01 0.36 1.77 1.29 96.70 0.19 0.04 0.00 0.00 0.00 93 L C C 56.60 10.38 10.16 22.11 116.71 146.69 -86.27 138.01 99.79 0.17 0.04 93.70 6.01 0.09 0.02 0.01 0.00 0.05 0.12 94 P C C 77.76 4.37 17.73 22.77 112.45 -105.70 -65.77 145.05 99.09 0.54 0.37 94.39 3.97 0.76 0.11 0.17 0.00 0.20 0.38 95 V C C 53.70 15.48 10.68 25.52 116.05 -154.26 -102.80 132.94 86.55 11.31 2.14 74.64 8.04 1.87 1.08 0.91 0.00 2.42 11.03 96 R C T 148.45 4.60 15.00 20.84 110.14 -105.74 -76.76 128.68 85.15 3.90 10.95 25.39 28.04 32.67 5.20 4.72 0.02 1.74 2.23 97 G C T 46.66 4.87 13.85 19.78 100.00 10.74 80.69 -2.11 83.42 1.65 14.94 18.80 27.35 38.16 7.77 6.10 0.02 0.70 1.10 98 Q C C 102.36 6.47 12.39 20.14 101.06 106.79 -78.18 -14.60 68.58 1.81 29.61 32.08 20.57 17.00 20.34 8.09 0.03 0.72 1.17 99 R C C 148.62 4.16 13.71 19.11 99.64 67.00 -79.38 -16.26 60.82 2.41 36.77 34.24 14.52 12.99 29.20 6.70 0.04 1.09 1.22 100 T C H 64.35 7.87 12.06 21.22 108.38 75.93 -87.52 101.72 52.45 2.30 45.25 31.78 11.75 9.91 38.00 6.40 0.04 1.15 0.98 101 K H H 125.89 5.11 14.37 20.64 98.51 -133.63 -74.12 -25.88 48.79 1.68 49.53 27.59 11.60 10.72 42.86 5.68 0.03 0.84 0.69 102 T C H 68.96 6.47 13.96 21.67 100.98 64.92 -83.47 -24.45 50.16 1.32 48.52 28.20 11.32 11.47 42.57 5.21 0.03 0.60 0.61 103 N C H 71.83 6.90 14.19 22.37 99.30 55.39 -75.66 -20.08 50.25 1.14 48.60 29.86 10.33 11.11 41.62 5.98 0.02 0.50 0.58 104 A H H 49.17 9.09 12.06 22.33 94.97 60.28 -66.89 -28.11 46.93 1.13 51.94 24.84 9.61 13.73 41.20 9.51 0.03 0.54 0.54 105 R C H 147.64 3.80 14.07 19.13 94.45 62.80 -73.54 -20.42 50.37 1.62 48.01 26.73 10.57 14.37 37.36 9.38 0.04 0.79 0.76 106 T C C 85.38 4.24 12.96 18.45 100.22 52.17 -89.51 -1.76 58.49 2.35 39.16 32.70 12.39 14.59 29.94 8.07 0.04 1.07 1.22 107 R C C 126.30 7.29 9.83 18.43 113.98 100.80 -83.65 132.90 76.50 1.89 21.61 44.84 18.61 13.06 16.86 4.71 0.01 0.78 1.13 108 K C C 155.95 1.98 11.79 14.93 107.50 -141.81 -89.60 85.83 86.61 2.17 11.22 51.82 22.77 12.04 7.93 3.06 0.00 0.86 1.51 109 G C C 37.32 5.35 10.30 17.28 128.28 -101.76 -115.49 173.16 97.56 1.31 1.13 54.01 40.31 3.36 0.43 0.61 0.00 0.56 0.72 110 P C C 102.90 2.58 11.44 15.40 109.21 -58.43 -69.38 143.14 96.54 1.44 2.03 65.16 19.46 11.72 0.39 1.83 0.00 0.79 0.66 111 R C C 163.13 3.70 8.34 14.04 111.68 -129.01 -86.68 129.44 94.54 3.99 1.47 73.64 14.58 5.75 0.37 1.19 0.00 1.67 2.81 112 K C C 150.87 2.11 9.40 13.34 115.75 -129.24 -92.22 134.53 99.08 0.87 0.05 96.43 2.58 0.23 0.02 0.02 0.00 0.42 0.31 113 P C C 103.77 2.99 11.10 15.98 111.41 -103.53 -66.54 146.26 99.95 0.04 0.01 99.33 0.41 0.23 0.00 0.00 0.00 0.02 0.01