# 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 58.15 6.38 13.56 20.92 104.25 58.28 -72.36 -35.69 99.38 0.06 0.55 99.09 0.17 0.21 0.46 0.02 0.00 0.02 0.02 1 A H H 72.03 2.74 12.76 16.40 95.47 52.48 -66.54 -38.42 25.91 0.29 73.80 21.56 1.32 4.13 70.58 2.16 0.00 0.14 0.11 2 A H H 66.66 3.49 11.85 16.70 94.29 53.26 -66.01 -38.78 14.67 0.29 85.04 8.22 2.45 5.05 80.42 3.59 0.01 0.16 0.10 3 A H H 60.37 5.84 12.30 19.62 93.30 51.95 -66.42 -37.64 10.35 0.29 89.36 5.71 1.71 3.74 83.99 4.57 0.01 0.18 0.08 4 A H H 60.77 4.48 13.86 19.72 93.32 53.29 -67.35 -36.78 10.06 0.34 89.60 5.40 1.76 3.72 84.60 4.20 0.02 0.21 0.10 5 K H H 127.34 3.02 16.26 19.94 94.44 53.33 -70.09 -33.89 14.99 0.64 84.37 7.65 2.74 5.78 79.86 3.37 0.03 0.38 0.21 6 A H H 47.33 8.53 14.82 24.40 96.87 58.63 -71.97 -30.46 23.11 1.17 75.72 12.72 4.06 7.68 71.72 2.76 0.03 0.65 0.37 7 V H H 59.94 11.05 15.16 26.69 101.43 56.47 -80.02 -19.99 34.23 2.05 63.71 21.77 6.02 7.35 61.03 2.10 0.02 1.08 0.62 8 S H H 48.10 6.77 17.25 25.01 103.77 67.40 -76.50 -7.33 39.76 2.14 58.10 28.59 5.11 6.57 55.50 2.42 0.01 1.15 0.66 9 R H H 110.81 8.65 16.87 26.13 95.11 29.99 -67.41 -33.51 24.68 1.83 73.49 13.23 5.28 8.55 65.30 5.88 0.09 1.13 0.54 10 S H H 32.59 13.48 13.45 27.28 93.36 56.70 -66.19 -37.80 23.89 2.28 73.84 13.13 4.34 8.50 64.37 7.40 0.08 1.56 0.61 11 Q H H 111.59 5.05 16.42 22.68 93.27 51.28 -67.39 -36.87 23.33 2.31 74.35 12.05 4.40 8.90 63.24 9.08 0.10 1.58 0.65 12 R H H 145.75 4.21 16.66 21.96 93.81 52.97 -70.90 -29.95 29.09 2.42 68.49 10.74 6.03 14.57 58.28 7.75 0.27 1.48 0.88 13 A C T 40.92 12.19 14.54 27.16 95.50 51.77 -83.46 -4.64 62.03 1.00 36.96 7.29 8.78 44.80 30.96 6.88 0.14 0.50 0.64 14 G C T 46.70 4.65 20.49 25.49 96.33 -111.34 81.42 9.59 93.91 0.66 5.42 16.44 11.82 66.13 2.84 2.11 0.00 0.38 0.28 15 L C C 28.50 19.95 12.38 31.72 114.28 128.51 -94.05 124.88 89.72 5.69 4.59 74.57 8.85 6.06 2.25 2.25 0.00 3.43 2.57 16 Q C C 107.16 6.68 22.06 29.43 113.87 -162.46 -107.89 116.60 86.92 9.18 3.90 62.36 20.26 4.18 2.71 1.45 0.00 5.19 3.85 17 F C C 35.15 20.10 15.54 35.06 118.03 -148.99 -103.60 128.78 91.58 6.38 2.04 53.90 37.16 1.30 1.92 0.42 0.00 3.59 1.70 18 P C C 48.15 9.18 23.51 33.29 108.03 -111.65 -70.07 128.77 91.57 5.22 3.22 88.52 2.19 1.16 2.84 0.48 0.00 2.81 2.00 19 V H H 28.82 20.99 16.02 36.08 94.26 -147.76 -62.95 -36.96 10.83 0.19 88.98 4.34 1.94 5.34 85.97 2.20 0.03 0.09 0.09 20 G H H 30.54 6.63 21.39 28.84 91.87 56.15 -62.11 -39.88 5.99 0.10 93.91 1.29 0.81 4.06 91.33 2.39 0.03 0.05 0.03 21 R H H 101.13 6.56 22.75 29.53 91.98 50.57 -66.16 -39.64 2.58 0.10 97.32 0.90 0.39 1.43 95.03 2.15 0.01 0.07 0.02 22 I H H 7.20 22.67 17.20 39.99 91.84 50.83 -63.94 -43.32 1.27 0.04 98.69 0.42 0.17 0.67 97.78 0.92 0.00 0.03 0.00 23 H H H 52.01 15.50 19.67 34.71 91.52 51.46 -62.70 -41.67 1.17 0.02 98.81 0.28 0.12 0.69 98.10 0.79 0.00 0.02 0.00 24 R H H 133.59 2.45 23.57 25.10 91.76 50.88 -63.98 -41.36 2.02 0.02 97.96 0.28 0.17 1.45 96.91 1.16 0.01 0.01 0.00 25 H H H 58.15 10.60 19.75 31.08 92.08 49.42 -65.54 -40.21 4.02 0.04 95.94 0.56 0.36 2.97 94.58 1.48 0.01 0.02 0.01 26 L H H 11.86 21.74 13.92 35.42 92.49 51.55 -66.13 -38.05 8.22 0.16 91.63 1.79 1.09 5.43 89.05 2.45 0.04 0.09 0.06 27 K H H 113.33 7.51 17.87 26.16 93.05 57.01 -67.67 -30.51 21.41 0.38 78.21 4.08 2.74 15.01 74.43 3.26 0.10 0.20 0.18 28 S H H 74.34 2.85 17.66 20.55 97.14 55.98 -80.62 -15.01 41.05 0.74 58.22 8.69 6.83 26.64 53.32 3.66 0.13 0.33 0.40 29 R C H 108.17 10.12 12.73 23.46 105.72 72.52 -88.34 61.24 60.28 2.41 37.31 25.24 17.29 19.23 31.94 4.02 0.10 0.97 1.22 30 T C C 66.99 8.64 11.97 21.74 110.72 130.32 -95.64 116.17 69.80 6.78 23.41 43.26 15.34 10.75 19.97 3.76 0.07 2.67 4.18 31 T C C 83.75 5.47 11.76 18.68 100.34 -149.22 -81.91 -23.09 65.65 3.93 30.43 29.96 14.54 22.78 17.85 10.77 0.12 1.78 2.21 32 S C T 90.56 1.68 13.24 15.36 97.11 30.63 -74.36 -21.39 69.79 1.45 28.77 13.56 15.71 40.57 15.64 12.78 0.08 0.67 0.99 33 H C T 123.17 4.52 12.99 18.67 99.91 38.22 -94.25 2.98 74.22 1.03 24.75 11.65 16.60 46.06 12.56 11.77 0.04 0.48 0.85 34 G C C 39.21 6.84 14.89 22.76 101.32 -105.93 79.88 8.73 88.08 3.16 8.75 32.65 29.07 27.39 3.71 4.16 0.01 1.55 1.46 35 R C C 122.79 7.57 18.14 26.61 118.02 109.37 -102.03 139.12 84.99 9.81 5.19 65.68 13.89 4.76 3.58 1.86 0.01 4.88 5.35 36 V C C 26.46 20.13 13.88 33.44 117.33 -142.92 -102.73 130.99 83.06 11.42 5.52 69.95 9.37 2.42 4.97 1.14 0.00 4.50 7.65 37 G C C 25.00 8.37 22.70 31.27 124.98 -142.63 -84.38 170.96 77.72 2.00 20.28 65.04 7.77 2.76 21.84 0.91 0.00 0.76 0.93 38 A H H 50.85 13.38 18.75 31.77 92.38 -89.68 -61.13 -37.44 6.88 0.07 93.04 1.82 1.37 3.76 92.15 0.84 0.01 0.03 0.03 39 T H H 73.31 6.22 24.98 31.18 91.80 52.31 -64.45 -40.28 3.49 0.04 96.48 1.05 0.46 1.91 95.89 0.66 0.00 0.02 0.01 40 A H H 12.86 17.21 21.09 38.45 91.69 51.65 -64.83 -41.77 0.83 0.01 99.16 0.32 0.09 0.36 98.91 0.32 0.00 0.00 0.00 41 A H H 7.84 22.13 20.61 42.23 91.98 51.79 -64.01 -42.56 0.35 0.00 99.65 0.11 0.03 0.16 99.60 0.11 0.00 0.00 0.00 42 V H H 56.33 10.25 26.42 36.89 91.66 49.88 -64.12 -42.59 0.19 0.00 99.80 0.04 0.01 0.10 99.80 0.04 0.00 0.00 0.00 43 Y H H 80.27 10.40 27.42 38.02 91.48 48.94 -64.00 -42.73 0.21 0.00 99.79 0.05 0.01 0.10 99.81 0.02 0.00 0.00 0.00 44 S H H 6.87 22.36 23.47 45.21 91.65 50.20 -63.92 -42.79 0.20 0.00 99.80 0.04 0.01 0.11 99.82 0.02 0.00 0.00 0.00 45 A H H 15.17 17.98 24.04 41.68 91.32 51.23 -63.23 -41.74 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 46 A H H 38.41 7.54 27.04 35.18 91.44 51.05 -63.53 -41.91 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 47 I H H 27.30 16.77 24.55 41.05 91.43 49.80 -64.48 -43.00 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 48 L H H 9.19 23.60 21.49 44.50 91.29 50.86 -63.24 -41.79 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 49 E H H 82.29 10.73 24.66 35.32 91.43 51.64 -63.44 -41.16 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 50 Y H H 96.94 7.54 25.63 33.27 91.81 49.56 -64.90 -41.78 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 51 L H H 14.40 20.39 21.65 41.65 91.35 49.22 -64.70 -42.48 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 52 T H H 21.75 19.09 21.53 39.72 91.35 51.26 -63.21 -42.05 0.21 0.00 99.79 0.02 0.01 0.14 99.81 0.03 0.00 0.00 0.00 53 A H H 46.77 5.70 24.69 30.70 91.46 51.09 -63.81 -41.77 0.22 0.00 99.78 0.01 0.01 0.15 99.78 0.05 0.00 0.00 0.00 54 E H H 66.42 9.69 24.26 34.16 91.78 49.53 -64.96 -41.82 0.35 0.00 99.65 0.03 0.02 0.25 99.61 0.09 0.00 0.00 0.00 55 V H H 5.75 23.58 19.31 42.81 91.28 50.19 -63.88 -43.16 0.52 0.00 99.47 0.07 0.03 0.35 99.41 0.15 0.00 0.00 0.00 56 L H H 49.98 13.96 21.64 35.25 91.41 50.61 -63.63 -41.30 1.17 0.01 98.81 0.18 0.09 0.79 98.50 0.43 0.00 0.01 0.00 57 E H H 113.70 3.07 25.08 27.80 91.71 50.65 -64.57 -40.68 4.37 0.04 95.59 0.54 0.31 3.36 94.79 0.96 0.01 0.02 0.01 58 L H H 39.98 14.22 19.94 34.22 92.23 49.10 -67.78 -36.50 10.11 0.09 89.80 1.06 0.83 8.13 88.60 1.27 0.03 0.04 0.04 59 A H H 16.48 19.36 16.13 35.01 93.81 54.45 -71.43 -28.22 31.43 0.43 68.14 3.82 3.49 24.29 65.52 2.33 0.12 0.18 0.24 60 G C T 39.12 7.84 19.83 27.84 99.95 51.18 -55.38 -26.98 65.04 1.14 33.81 10.80 9.41 43.96 30.93 3.73 0.06 0.52 0.61 61 N C C 90.05 6.51 18.25 25.29 100.79 46.74 -88.75 12.10 72.79 3.42 23.79 36.76 14.93 21.62 17.84 5.52 0.04 1.59 1.71 62 A C C 42.33 12.43 12.92 25.67 102.76 101.90 -77.63 -5.50 67.86 4.32 27.81 36.53 13.96 17.81 17.80 9.55 0.07 2.15 2.12 63 S C C 52.75 8.50 13.23 22.80 105.47 76.44 -80.39 55.42 68.45 3.61 27.94 36.66 13.00 19.41 16.81 10.49 0.04 1.81 1.78 64 K C T 144.34 3.28 14.04 18.59 96.77 54.10 -72.95 -19.68 66.54 2.11 31.35 21.65 17.96 27.89 17.65 12.56 0.09 0.96 1.25 65 D C T 96.46 3.83 13.90 18.78 100.39 59.44 -85.26 -2.42 69.74 1.70 28.56 26.59 16.92 27.07 16.27 11.32 0.04 0.73 1.05 66 L C C 72.98 12.13 10.14 22.29 101.62 96.35 -76.06 25.08 70.99 2.33 26.68 31.23 18.66 21.96 15.18 10.60 0.03 1.06 1.28 67 K C C 148.39 2.45 16.76 19.70 98.28 108.18 -78.88 -7.16 73.93 4.35 21.73 39.25 15.79 19.29 12.39 9.08 0.03 2.42 1.75 68 V C C 49.31 13.17 10.23 23.74 115.98 100.68 -96.26 131.83 74.97 6.79 18.24 54.55 11.91 7.88 11.35 7.47 0.02 4.10 2.72 69 K C C 141.52 3.90 17.30 22.36 101.48 -163.84 -88.79 -16.71 78.86 6.04 15.10 48.51 21.06 9.59 8.54 6.61 0.02 3.97 1.70 70 R C C 124.82 5.68 20.52 26.95 127.69 42.10 -123.02 147.13 72.83 13.08 14.09 42.03 22.12 9.29 7.27 6.94 0.06 8.82 3.47 71 I C C 19.89 22.77 12.47 35.06 112.02 -124.01 -89.23 122.34 81.77 12.74 5.49 66.34 12.00 2.29 3.42 2.56 0.00 6.14 7.23 72 T C C 49.06 6.67 24.13 30.97 127.49 -171.88 -105.65 161.09 98.05 0.78 1.18 92.61 5.19 0.25 1.23 0.09 0.00 0.29 0.35 73 P H H 50.51 15.55 15.64 31.13 91.11 -106.49 -58.13 -37.13 5.32 0.03 94.64 1.02 0.66 3.46 93.52 1.32 0.01 0.02 0.01 74 R H H 137.06 3.91 22.28 26.61 91.37 55.07 -63.72 -39.05 2.51 0.01 97.47 0.37 0.22 1.74 96.46 1.20 0.00 0.01 0.00 75 H H H 42.87 14.62 19.97 34.61 92.03 50.13 -65.58 -40.89 0.93 0.01 99.06 0.23 0.09 0.52 97.84 1.31 0.00 0.01 0.00 76 L H H 6.43 24.02 17.96 41.84 91.53 50.26 -64.26 -42.50 0.59 0.01 99.40 0.14 0.05 0.32 98.70 0.79 0.00 0.00 0.00 77 Q H H 68.74 12.37 22.82 34.76 91.31 51.64 -62.94 -41.26 1.04 0.01 98.96 0.16 0.07 0.70 98.19 0.87 0.00 0.00 0.00 78 L H H 59.60 6.83 24.44 31.74 91.50 50.88 -64.10 -41.40 1.96 0.01 98.03 0.19 0.13 1.53 96.57 1.56 0.00 0.01 0.00 79 A H H 11.18 17.37 19.57 37.32 91.71 51.14 -64.73 -40.09 6.00 0.04 93.96 0.54 0.41 4.95 92.19 1.86 0.02 0.02 0.01 80 I H H 16.87 20.57 17.18 37.49 93.92 45.41 -75.42 -26.33 19.31 0.25 80.44 1.46 1.49 16.59 77.64 2.43 0.13 0.12 0.14 81 R C T 129.67 8.65 19.23 28.61 104.43 82.70 -64.68 105.02 58.30 0.23 41.47 1.48 2.20 52.81 41.39 1.82 0.04 0.09 0.17 82 G C T 53.82 3.54 19.04 22.84 96.61 18.60 83.01 -1.44 83.97 0.12 15.91 3.26 5.15 74.37 15.64 1.44 0.00 0.05 0.09 83 D C C 42.93 14.54 10.78 25.44 108.59 111.50 -92.45 107.27 98.90 0.34 0.76 95.09 3.43 0.42 0.56 0.12 0.00 0.10 0.27 84 E H H 141.30 2.09 16.47 19.61 93.52 -164.46 -65.28 -34.37 17.47 0.11 82.41 2.20 2.67 12.24 72.91 9.81 0.06 0.05 0.07 85 E H H 112.20 3.90 17.96 22.64 92.27 54.56 -65.79 -39.14 14.23 0.11 85.65 1.38 1.49 10.90 75.52 10.50 0.08 0.06 0.06 86 L H H 11.39 20.87 12.73 33.45 92.94 48.13 -67.72 -39.43 8.05 0.14 91.82 1.49 0.95 5.29 79.82 12.28 0.03 0.10 0.04 87 D H H 54.42 12.63 15.84 28.79 91.92 57.57 -63.37 -34.67 8.21 0.17 91.61 2.22 1.05 4.76 80.12 11.67 0.02 0.12 0.05 88 S H H 71.09 2.34 20.82 22.41 92.06 57.55 -66.92 -30.58 27.62 0.25 72.13 2.29 1.93 22.61 61.93 10.86 0.10 0.14 0.13 89 L H H 51.44 12.92 17.32 30.52 93.05 53.36 -71.57 -31.20 34.48 0.64 64.88 4.57 4.36 25.27 56.93 8.03 0.18 0.36 0.30 90 I C H 25.03 20.99 13.68 33.59 101.07 57.37 -83.06 0.01 48.71 12.62 38.66 30.75 11.16 8.51 34.08 4.02 0.17 7.55 3.75 91 K C C 127.18 5.26 20.33 26.23 100.51 93.15 -72.89 -1.11 61.27 15.09 23.63 47.69 4.60 6.59 22.31 3.10 0.01 13.63 2.07 92 A C C 49.69 11.54 14.34 26.14 104.45 101.44 -81.30 3.67 52.03 22.59 25.38 39.22 6.24 4.86 22.10 4.18 0.05 21.26 2.09 93 T C E 77.24 7.52 17.59 25.64 107.50 87.79 -92.57 30.66 40.21 36.84 22.95 30.34 4.54 4.00 20.01 4.15 0.07 33.73 3.17 94 I E E 66.87 13.76 13.13 26.59 107.43 77.40 -89.92 75.74 36.42 39.89 23.70 25.69 5.45 4.90 20.02 5.00 0.16 34.49 4.30 95 A C E 65.41 7.29 14.65 22.86 106.21 -110.63 -76.44 93.04 48.37 27.40 24.23 21.84 9.67 18.70 14.76 9.11 0.30 22.48 3.13 96 G C T 54.21 3.83 15.65 20.40 101.77 8.44 67.57 4.89 69.93 9.54 20.53 17.88 14.48 38.75 8.75 10.81 0.16 7.08 2.09 97 G C T 42.33 8.21 15.38 24.12 107.12 -46.59 83.76 5.71 76.57 6.54 16.89 20.22 19.44 38.26 5.57 10.26 0.06 4.38 1.80 98 G C C 34.80 10.11 16.54 26.85 112.98 -116.37 94.86 17.85 68.34 21.67 9.99 27.78 20.04 22.61 4.25 5.24 0.10 17.18 2.81 99 V C C 59.09 12.85 16.69 29.69 117.93 -111.58 -104.18 132.78 46.87 43.13 10.01 30.32 11.47 4.08 7.90 3.12 0.26 26.48 16.39 100 I C C 47.49 14.76 16.34 31.33 113.06 -147.28 -95.48 119.48 68.13 17.79 14.08 57.19 6.82 2.71 12.64 2.42 0.01 15.51 2.70 101 P C H 57.65 10.75 17.53 28.88 103.30 -131.59 -66.05 8.47 50.13 10.53 39.35 22.73 7.77 18.62 32.71 7.22 0.17 9.38 1.39 102 H H H 104.09 7.85 19.11 27.19 97.50 45.63 -70.88 -0.14 44.44 7.96 47.60 20.60 7.02 17.20 38.91 8.09 0.19 6.53 1.46 103 I H H 42.80 14.33 16.81 31.38 95.48 84.32 -70.50 -37.82 32.15 6.55 61.30 20.71 6.06 7.83 50.46 8.41 0.10 5.12 1.29 104 H H H 51.53 15.67 16.39 31.69 94.48 56.99 -67.88 -39.38 25.38 4.51 70.11 16.52 4.62 6.88 58.85 8.56 0.10 3.52 0.95 105 K H H 103.15 7.66 17.60 25.99 92.92 57.39 -65.27 -39.08 18.19 2.19 79.62 7.47 3.63 8.39 63.88 14.24 0.23 1.62 0.54 106 S H H 58.53 5.49 17.50 23.71 93.25 50.81 -68.42 -38.42 19.59 1.29 79.12 5.61 3.13 11.06 63.43 15.25 0.23 0.92 0.37 107 L H H 54.72 13.50 15.09 28.60 93.62 48.65 -71.88 -34.66 29.02 1.66 69.32 6.05 5.00 18.47 55.38 12.78 0.59 1.04 0.68 108 I C T 57.95 13.31 13.65 27.13 98.29 43.10 -88.90 -6.62 56.32 2.23 41.44 6.73 10.83 38.62 34.32 6.58 0.55 1.08 1.31 109 G C T 51.61 3.57 15.23 19.77 100.16 -104.64 79.81 12.09 85.01 1.93 13.06 23.64 13.84 48.26 9.14 3.32 0.02 1.00 0.79 110 K C C 116.16 6.41 10.92 18.94 111.33 131.07 -90.43 116.55 85.73 4.16 10.11 58.11 13.87 13.77 5.95 4.07 0.00 2.37 1.85 111 K C C 151.69 2.57 12.16 16.46 114.47 -144.73 -98.05 131.05 91.22 3.42 5.36 80.04 2.32 9.54 2.84 1.73 0.00 2.02 1.51 112 G C C 45.94 4.96 13.68 20.13 118.67 17.46 98.03 -170.89 99.84 0.13 0.03 99.60 0.19 0.10 0.01 0.00 0.00 0.07 0.02