# 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 C C C 43.58 15.81 14.09 29.40 114.31 -140.82 -86.37 133.90 99.60 0.26 0.14 99.40 0.17 0.17 0.06 0.02 0.00 0.14 0.05 1 R C C 147.29 5.04 14.68 20.91 108.53 -131.18 -86.68 93.85 87.88 5.20 6.91 76.39 3.16 8.66 3.30 2.94 0.00 3.29 2.27 2 Q C C 111.72 6.17 11.22 18.90 110.93 -117.56 -88.93 121.90 85.38 6.52 8.10 58.01 14.71 12.81 3.29 4.60 0.00 3.85 2.74 3 K C C 134.57 4.56 11.96 18.31 111.99 -157.52 -89.42 126.32 85.62 5.33 9.05 52.25 15.54 18.31 3.27 5.37 0.00 3.19 2.06 4 G C C 45.55 5.74 12.68 19.68 110.79 0.62 84.16 157.13 88.13 4.02 7.85 48.59 19.30 20.79 2.34 5.11 0.00 2.15 1.71 5 A C C 71.99 6.07 12.77 20.13 108.77 -104.19 -86.68 112.74 86.72 3.78 9.50 49.57 18.38 19.14 3.00 6.15 0.00 1.99 1.77 6 G C C 45.45 6.20 13.20 20.58 110.81 16.49 71.28 -12.02 86.63 3.00 10.37 41.28 23.07 22.92 3.06 6.72 0.00 1.44 1.49 7 S C C 70.26 6.36 13.28 20.81 109.13 -52.49 -89.69 110.87 84.86 3.60 11.53 49.48 20.02 15.62 4.02 7.19 0.00 1.80 1.86 8 A C C 71.14 6.14 13.25 20.61 107.06 78.96 -83.57 86.10 85.01 3.53 11.45 43.91 22.06 19.73 4.66 6.15 0.01 1.72 1.77 9 G C C 41.03 7.55 12.99 21.53 112.75 23.46 31.70 155.93 88.36 2.58 9.06 46.15 25.41 17.25 4.04 4.56 0.00 1.16 1.42 10 T C C 91.97 4.86 13.79 19.99 107.27 -78.36 -86.43 75.27 85.35 2.28 12.37 48.77 20.07 16.62 7.88 4.33 0.00 1.02 1.30 11 G C C 44.55 6.29 13.85 21.22 107.57 7.51 48.05 -24.08 80.46 1.44 18.09 38.29 20.04 22.68 12.35 5.16 0.01 0.60 0.86 12 S C C 63.46 7.16 13.53 21.72 108.21 58.08 -85.18 114.46 65.51 1.65 32.83 37.49 15.55 12.79 26.66 5.91 0.02 0.70 0.88 13 E H H 111.52 6.24 14.27 21.61 106.50 57.26 -84.38 52.90 46.26 1.93 51.81 27.31 10.87 9.92 45.04 5.11 0.04 0.94 0.77 14 T H H 72.68 5.91 15.39 22.29 106.94 116.60 -80.32 82.53 35.72 1.43 62.86 22.57 7.12 7.59 57.50 3.97 0.02 0.74 0.49 15 N H H 72.09 7.96 16.79 25.46 98.60 43.48 -71.61 -35.94 30.79 0.87 68.33 20.45 5.16 6.18 64.49 2.98 0.01 0.44 0.29 16 S H H 33.72 13.89 14.22 28.15 95.46 57.60 -67.24 -36.27 19.03 0.48 80.49 12.57 3.01 4.46 77.24 2.31 0.01 0.25 0.15 17 Q H H 101.25 4.04 18.59 23.19 93.40 56.52 -66.02 -38.98 6.93 0.17 92.90 3.95 1.26 2.32 90.72 1.60 0.01 0.09 0.05 18 E H H 98.60 4.04 19.60 23.83 93.06 51.57 -66.11 -40.32 5.07 0.19 94.74 2.62 0.81 2.06 92.78 1.54 0.01 0.12 0.04 19 V H H 22.23 15.98 15.02 31.50 92.53 50.78 -65.37 -41.97 4.14 0.21 95.65 2.00 0.61 1.75 93.95 1.49 0.01 0.14 0.04 20 R H H 100.52 9.84 17.64 28.01 91.95 52.08 -63.54 -40.82 3.86 0.15 95.99 1.60 0.55 1.82 94.17 1.70 0.01 0.11 0.03 21 S H H 61.46 2.72 19.48 21.75 92.51 50.96 -65.53 -39.57 7.00 0.17 92.83 2.07 0.89 4.07 90.47 2.33 0.02 0.11 0.05 22 Q H H 70.82 8.59 16.59 26.23 92.84 50.61 -67.70 -37.02 12.05 0.27 87.68 3.63 1.74 6.99 84.43 2.92 0.03 0.15 0.10 23 M H H 53.50 15.38 13.04 28.08 93.85 54.75 -68.07 -33.69 25.04 0.58 74.39 9.58 3.76 12.36 70.88 2.85 0.03 0.28 0.25 24 R H H 152.47 3.70 16.83 21.58 94.94 57.79 -73.19 -24.33 43.38 0.83 55.80 13.86 6.45 23.25 52.77 2.88 0.05 0.37 0.39 25 S C C 68.26 4.31 14.86 20.12 105.82 58.67 -84.32 -12.58 64.72 1.47 33.81 29.59 14.69 20.79 29.46 4.09 0.02 0.62 0.74 26 T C C 69.27 9.63 13.96 24.03 102.83 40.75 -91.17 -4.48 64.13 2.58 33.29 27.01 17.11 20.95 20.30 12.05 0.06 1.25 1.27 27 C C C 70.67 9.61 15.94 25.87 100.15 88.22 -76.93 15.89 63.67 4.10 32.23 25.46 15.91 23.14 15.25 16.25 0.08 2.41 1.50 28 L C C 66.81 12.42 17.42 29.71 103.72 118.18 -88.07 25.53 62.30 9.46 28.24 29.77 14.73 19.03 13.47 14.06 0.14 6.26 2.54 29 I C C 51.75 15.42 18.59 33.31 110.36 99.34 -96.61 100.26 69.23 14.56 16.21 33.64 24.03 12.52 10.08 5.98 0.21 9.00 4.53 30 I C S 19.91 20.16 15.04 35.00 116.49 -143.37 -103.22 125.93 88.86 9.64 1.50 34.49 54.63 1.19 1.25 0.38 0.00 5.37 2.70 31 P C C 52.43 6.55 21.26 28.70 112.21 -113.91 -65.84 141.82 92.71 5.19 2.10 91.57 1.31 0.55 1.81 0.28 0.00 3.27 1.19 32 K H H 92.77 13.68 14.07 27.64 92.64 -122.87 -59.38 -38.59 5.23 0.04 94.73 2.12 0.92 2.10 94.05 0.78 0.00 0.01 0.01 33 E H H 123.11 2.03 19.62 21.06 91.82 55.14 -63.97 -39.87 1.70 0.01 98.29 0.37 0.17 0.99 97.72 0.73 0.00 0.00 0.00 34 R H H 99.22 7.07 19.01 26.81 91.92 49.10 -66.44 -39.82 0.99 0.01 99.00 0.28 0.09 0.53 98.24 0.86 0.00 0.00 0.00 35 F H H 12.66 21.50 13.97 35.46 91.45 50.70 -64.27 -42.34 0.38 0.00 99.62 0.10 0.03 0.18 99.51 0.18 0.00 0.00 0.00 36 R H H 101.59 10.14 20.00 30.34 91.33 51.40 -62.39 -41.53 0.19 0.00 99.81 0.04 0.01 0.09 99.82 0.04 0.00 0.00 0.00 37 T H H 71.68 2.46 23.45 24.47 91.63 49.75 -64.29 -42.30 0.20 0.00 99.79 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 38 M H H 40.87 11.76 20.79 33.30 91.85 49.56 -64.49 -42.38 0.22 0.00 99.78 0.03 0.01 0.13 99.80 0.04 0.00 0.00 0.00 39 A H H 7.06 20.52 16.78 37.58 91.57 50.76 -63.50 -42.57 0.22 0.00 99.78 0.02 0.01 0.12 99.80 0.03 0.00 0.00 0.00 40 K H H 101.44 6.03 22.12 28.53 91.61 50.81 -63.80 -41.11 0.43 0.00 99.57 0.05 0.02 0.27 99.59 0.07 0.00 0.00 0.00 41 E H H 90.65 3.07 22.64 24.97 91.73 49.67 -64.62 -42.09 0.97 0.00 99.03 0.12 0.07 0.64 99.04 0.14 0.00 0.00 0.00 42 I H H 23.71 13.04 17.35 31.85 91.95 49.38 -64.89 -42.13 1.55 0.01 98.44 0.29 0.17 0.92 98.30 0.31 0.00 0.01 0.00 43 S H H 16.76 13.77 13.42 28.52 91.92 51.25 -64.21 -40.59 3.19 0.03 96.78 0.70 0.31 1.92 96.39 0.66 0.01 0.01 0.01 44 K H H 143.56 1.73 17.04 18.64 92.16 50.37 -65.86 -38.82 7.05 0.05 92.90 1.04 0.63 5.15 91.91 1.21 0.02 0.02 0.02 45 K H H 139.81 2.09 15.43 17.83 93.49 49.50 -69.86 -34.09 11.80 0.06 88.13 1.27 1.26 9.04 87.22 1.13 0.03 0.03 0.03 46 E H H 88.74 8.23 11.48 20.88 98.27 42.69 -91.45 -8.35 33.05 0.29 66.66 5.75 6.40 21.13 65.15 1.24 0.05 0.09 0.19 47 G C T 57.12 1.87 14.09 16.53 100.04 -114.28 75.83 18.43 92.46 0.43 7.10 39.36 12.17 41.43 4.22 2.37 0.00 0.19 0.25 48 H C C 106.60 6.64 10.38 18.56 117.78 122.36 -109.03 146.96 90.39 0.77 8.83 43.33 28.86 18.61 4.22 4.15 0.00 0.31 0.52 49 D C C 120.74 1.64 15.19 16.99 103.02 -130.76 -86.93 76.40 89.36 0.72 9.92 60.45 16.69 12.28 5.41 4.38 0.00 0.35 0.44 50 V C C 52.97 13.54 10.10 23.69 114.91 150.14 -96.40 128.77 78.19 1.53 20.27 60.54 10.78 6.92 14.94 5.33 0.00 0.75 0.75 51 H C C 129.07 3.69 18.69 22.97 111.59 -152.26 -94.48 124.05 72.86 3.52 23.62 53.78 11.83 6.78 19.48 4.87 0.01 1.99 1.26 52 I C C 42.75 17.97 11.80 28.90 113.31 -135.47 -92.12 125.55 64.36 5.11 30.53 51.79 7.91 4.54 27.12 3.89 0.01 2.77 1.95 53 A H H 46.95 7.03 17.68 25.57 116.87 -133.91 -79.59 157.82 45.23 1.29 53.49 38.69 3.70 2.75 52.36 1.49 0.00 0.60 0.40 54 E H H 123.73 5.14 15.99 22.56 93.55 -103.61 -61.46 -37.92 4.09 0.06 95.85 1.63 0.71 1.76 94.61 1.23 0.00 0.02 0.02 55 A H H 62.28 2.77 19.59 21.88 92.03 51.75 -64.89 -39.96 2.34 0.03 97.64 0.79 0.29 1.22 96.34 1.33 0.00 0.02 0.01 56 A H H 18.28 13.48 16.15 30.83 92.23 50.19 -65.11 -41.49 1.58 0.02 98.40 0.53 0.17 0.83 97.50 0.96 0.00 0.01 0.00 57 L H H 27.61 16.76 16.54 33.42 91.83 51.05 -63.93 -42.04 0.87 0.01 99.12 0.29 0.08 0.44 98.78 0.40 0.00 0.00 0.00 58 D H H 80.91 3.80 22.66 26.36 91.66 50.77 -64.24 -40.79 0.92 0.00 99.08 0.19 0.06 0.58 98.91 0.26 0.00 0.00 0.00 59 M H H 81.42 5.81 21.95 27.96 91.67 50.64 -64.73 -41.92 0.71 0.00 99.29 0.11 0.04 0.46 99.21 0.19 0.00 0.00 0.00 60 L H H 22.34 18.13 18.19 36.34 92.11 50.48 -64.56 -41.86 0.26 0.00 99.74 0.05 0.01 0.14 99.73 0.07 0.00 0.00 0.00 61 Q H H 62.09 13.31 20.31 33.30 91.80 51.78 -63.42 -41.41 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.03 0.00 0.00 0.00 62 V H H 79.79 3.38 23.60 26.39 91.74 50.01 -64.61 -42.22 0.12 0.00 99.88 0.01 0.01 0.07 99.89 0.02 0.00 0.00 0.00 63 I H H 57.27 9.40 21.69 31.53 92.12 49.21 -64.83 -42.30 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 64 V H H 21.34 17.99 18.75 36.65 91.96 49.78 -64.60 -42.34 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 65 E H H 82.45 9.31 21.86 31.32 91.71 51.13 -63.47 -41.13 0.20 0.00 99.80 0.02 0.01 0.14 99.81 0.03 0.00 0.00 0.00 66 S H H 51.60 4.33 23.00 27.13 91.80 50.58 -64.88 -41.13 0.31 0.00 99.69 0.02 0.01 0.23 99.70 0.04 0.00 0.00 0.00 67 C H H 31.37 12.80 20.47 33.58 92.13 49.93 -65.08 -42.01 0.40 0.00 99.60 0.03 0.02 0.28 99.61 0.06 0.00 0.00 0.00 68 T H H 28.08 16.57 19.60 35.78 92.04 50.25 -64.70 -42.08 0.35 0.00 99.65 0.03 0.01 0.24 99.64 0.07 0.00 0.00 0.00 69 V H H 65.66 6.77 22.18 29.19 91.97 50.42 -64.34 -42.10 0.18 0.00 99.82 0.02 0.01 0.11 99.81 0.05 0.00 0.00 0.00 70 R H H 114.03 5.06 23.32 28.20 91.91 50.14 -64.96 -41.23 0.22 0.00 99.78 0.01 0.01 0.15 99.76 0.07 0.00 0.00 0.00 71 L H H 27.19 16.45 19.48 36.01 91.89 50.15 -64.72 -42.46 0.20 0.00 99.80 0.01 0.01 0.14 99.78 0.06 0.00 0.00 0.00 72 L H H 44.14 15.22 20.30 35.01 91.88 50.50 -64.09 -41.86 0.18 0.00 99.82 0.02 0.01 0.11 99.80 0.06 0.00 0.00 0.00 73 E H H 99.95 4.76 24.13 28.76 91.68 50.38 -64.10 -41.87 0.31 0.00 99.69 0.03 0.01 0.21 99.66 0.09 0.00 0.00 0.00 74 K H H 86.30 8.51 23.66 32.14 92.06 48.15 -65.55 -40.40 0.67 0.00 99.33 0.05 0.03 0.50 99.25 0.17 0.00 0.00 0.00 75 A H H 10.47 19.18 18.32 37.77 91.53 51.24 -63.79 -41.92 1.43 0.01 98.57 0.15 0.08 1.01 98.35 0.40 0.00 0.00 0.00 76 L H H 60.46 11.32 21.99 33.26 91.79 51.27 -63.63 -41.44 3.40 0.04 96.57 0.48 0.26 2.49 95.50 1.22 0.01 0.02 0.01 77 V H H 72.31 4.48 23.83 27.83 91.70 50.22 -64.38 -42.03 5.20 0.18 94.62 0.97 0.55 3.68 91.96 2.65 0.04 0.13 0.04 78 I H H 40.45 11.69 19.52 32.00 92.27 49.38 -65.57 -40.51 8.89 0.72 90.39 2.11 1.17 5.81 86.34 3.78 0.09 0.55 0.15 79 T H H 21.81 15.66 15.35 31.51 92.76 50.49 -68.51 -38.17 19.30 2.31 78.39 6.91 2.79 10.39 73.42 4.10 0.13 1.73 0.53 80 Y H H 125.04 6.02 17.77 24.26 93.82 54.26 -66.99 -37.02 29.01 3.92 67.07 11.36 5.06 14.31 61.72 3.61 0.22 2.64 1.09 81 S H H 77.73 2.89 16.67 19.59 95.23 50.58 -74.13 -20.63 46.25 2.25 51.50 12.20 8.63 26.52 47.08 3.23 0.25 1.16 0.94 82 G C T 32.56 10.09 11.74 22.29 99.10 59.99 -84.71 -8.57 77.96 0.69 21.34 14.27 15.50 47.47 18.57 3.45 0.02 0.29 0.43 83 K C T 168.98 1.34 15.93 17.05 96.11 -124.19 52.71 29.25 90.56 0.78 8.67 25.38 22.02 43.52 5.17 3.12 0.00 0.36 0.43 84 R C C 104.79 8.53 10.96 20.82 121.14 123.57 -106.86 141.20 89.60 3.56 6.84 53.33 24.16 12.31 3.35 3.33 0.00 1.70 1.82 85 T C C 101.36 3.95 14.41 19.79 100.30 -165.05 -94.14 -9.87 90.31 4.69 5.00 45.91 35.51 9.48 2.10 2.69 0.00 3.11 1.18 86 R C C 145.39 2.74 19.48 22.66 126.82 48.69 -127.31 145.55 81.49 14.01 4.51 50.24 25.83 6.08 2.22 2.42 0.01 9.92 3.28 87 V C C 32.45 20.30 9.96 29.44 112.51 -125.70 -86.80 125.91 84.33 13.37 2.30 70.75 11.48 1.37 1.59 0.94 0.00 7.84 6.03 88 T C C 56.15 5.17 19.60 25.25 128.38 -168.87 -106.45 166.72 96.85 1.44 1.71 91.91 4.70 0.32 1.80 0.13 0.00 0.65 0.49 89 S H H 71.40 5.70 15.43 22.39 91.28 -99.31 -58.68 -37.20 5.44 0.03 94.54 0.84 0.78 3.67 93.26 1.42 0.01 0.01 0.01 90 K H H 127.17 2.78 19.41 22.34 91.50 54.17 -64.59 -39.34 3.12 0.01 96.86 0.44 0.29 2.23 95.74 1.29 0.00 0.01 0.00 91 D H H 23.50 16.71 15.64 32.60 92.15 50.63 -65.68 -40.68 1.51 0.01 98.48 0.45 0.16 0.82 97.31 1.24 0.00 0.01 0.00 92 I H H 34.78 16.03 17.41 33.38 91.95 50.89 -64.46 -41.67 0.58 0.00 99.42 0.17 0.05 0.28 99.19 0.32 0.00 0.00 0.00 93 E H H 101.93 3.92 23.18 26.92 91.42 50.58 -63.65 -41.70 0.47 0.00 99.53 0.10 0.03 0.25 99.44 0.18 0.00 0.00 0.00 94 T H H 42.01 8.88 21.10 30.74 91.94 50.05 -64.55 -42.18 0.57 0.00 99.43 0.09 0.03 0.34 99.26 0.28 0.00 0.00 0.00 95 A H H 10.92 17.98 17.32 35.89 91.93 51.19 -63.66 -42.16 0.85 0.00 99.14 0.14 0.06 0.51 98.78 0.51 0.00 0.00 0.00 96 F H H 73.43 9.72 20.04 30.40 92.09 50.66 -64.61 -40.62 2.38 0.03 97.59 0.45 0.22 1.56 96.59 1.14 0.00 0.02 0.01 97 M H H 94.60 4.65 20.10 25.10 92.38 51.07 -65.79 -39.73 5.92 0.07 94.01 1.07 0.56 4.11 92.62 1.55 0.01 0.04 0.02 98 L H H 53.66 12.05 16.23 28.77 93.45 51.39 -67.94 -37.67 13.16 0.19 86.66 2.76 1.63 8.79 84.47 2.14 0.03 0.10 0.08 99 E H H 85.97 10.78 16.09 27.02 94.59 51.69 -71.23 -33.06 29.94 0.41 69.65 5.60 4.32 20.32 67.25 2.06 0.06 0.18 0.21 100 H C H 120.04 4.47 15.65 21.00 99.42 42.15 -90.88 -4.71 53.72 0.64 45.64 11.49 11.70 30.64 43.30 2.22 0.06 0.23 0.37 101 G C C 29.61 8.21 12.34 21.82 119.89 98.38 -59.17 -124.67 88.80 1.20 10.00 54.05 24.79 10.20 3.67 6.07 0.00 0.56 0.67 102 P C C 91.32 3.95 12.83 17.98 100.58 -44.51 -70.11 -0.69 75.69 1.73 22.58 37.18 15.18 23.22 4.00 18.79 0.00 0.95 0.67 103 L C C 101.90 5.89 10.19 17.43 99.97 80.52 -80.21 -9.45 66.75 7.45 25.79 32.25 13.49 22.94 4.30 20.23 0.03 4.74 2.02 104 L C C 100.15 5.86 8.61 15.90 106.06 69.32 -90.87 56.55 73.53 7.18 19.29 59.12 3.75 12.05 4.94 12.81 0.00 5.12 2.20 105 E C C 140.24 2.72 12.30 16.47 107.12 107.18 -85.17 98.11 99.81 0.14 0.05 99.66 0.11 0.10 0.02 0.00 0.00 0.09 0.01