# 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 16.90 20.35 17.52 37.27 117.75 -156.31 -95.72 139.61 99.55 0.43 0.02 99.48 0.16 0.04 0.01 0.00 0.00 0.28 0.03 1 R E E 114.11 8.11 21.64 30.32 122.80 -158.28 -114.70 135.51 31.86 67.73 0.41 29.18 1.33 0.30 0.26 0.19 0.00 50.64 18.11 2 L E E 25.42 20.17 13.55 33.20 116.78 -157.09 -110.39 126.85 14.33 84.93 0.74 7.68 3.80 1.23 0.55 0.38 0.01 58.46 27.90 3 V C T 66.13 12.48 15.62 28.60 95.34 -23.98 51.26 49.33 97.89 1.24 0.87 0.72 3.21 94.43 0.07 0.58 0.00 0.77 0.23 4 G C T 57.49 2.81 17.69 20.59 95.44 -47.01 81.82 1.22 99.41 0.19 0.40 0.63 3.72 95.15 0.02 0.33 0.00 0.12 0.03 5 V E E 41.99 14.33 11.59 26.49 123.17 107.55 -111.06 138.30 17.80 81.88 0.32 8.99 7.73 1.34 0.15 0.23 0.00 55.32 26.24 6 D C C 102.62 3.22 20.82 24.46 108.81 -129.27 -86.06 115.20 54.59 45.34 0.07 47.79 5.14 0.55 0.02 0.07 0.00 42.65 3.77 7 L C C 14.96 22.96 10.09 32.34 117.72 -160.93 -97.57 132.99 95.73 4.24 0.03 94.07 2.07 0.06 0.01 0.02 0.00 3.26 0.51 8 P C C 59.69 5.12 21.16 26.74 111.46 -109.43 -65.69 140.38 97.63 2.15 0.23 96.60 0.86 0.40 0.04 0.14 0.00 1.34 0.62 9 R C T 115.33 13.43 13.30 26.47 92.56 -126.51 -64.12 -23.67 98.98 0.29 0.73 1.80 11.89 85.33 0.08 0.62 0.00 0.15 0.13 10 D C T 109.32 2.84 19.46 22.34 95.13 59.34 -89.04 1.30 98.71 0.71 0.58 3.86 7.13 87.77 0.06 0.54 0.00 0.54 0.10 11 K C C 60.25 14.30 14.46 29.18 118.23 114.14 -76.56 144.92 97.13 2.65 0.22 64.23 32.85 0.38 0.08 0.13 0.00 1.32 1.01 12 R E B 90.45 10.03 23.96 33.90 114.78 -111.26 -75.42 142.83 11.75 88.14 0.10 8.80 0.17 0.00 0.09 0.00 0.00 4.73 86.20 13 M H H 7.29 25.55 18.29 44.32 91.33 -119.92 -59.01 -39.78 1.07 0.00 98.92 0.09 0.07 0.83 97.45 1.55 0.00 0.00 0.00 14 E H H 47.51 18.08 23.54 40.20 91.03 55.20 -62.70 -40.53 0.33 0.00 99.67 0.02 0.02 0.28 98.43 1.25 0.00 0.00 0.00 15 I H H 47.58 10.32 26.79 37.89 91.70 49.51 -65.44 -41.14 0.12 0.00 99.88 0.01 0.01 0.11 98.45 1.44 0.00 0.00 0.00 16 A H H 3.25 22.85 22.41 45.14 91.51 51.55 -63.61 -42.75 0.28 0.00 99.72 0.02 0.02 0.23 98.09 1.65 0.00 0.00 0.00 17 L H H 2.69 25.99 21.32 47.36 91.13 51.94 -65.45 -38.30 1.66 0.01 98.33 0.05 0.08 1.67 90.66 7.53 0.00 0.01 0.00 18 T H H 40.97 14.55 23.38 37.49 91.53 57.58 -67.68 -29.29 13.32 0.03 86.65 0.19 0.34 13.89 75.01 10.51 0.03 0.01 0.02 19 Y H H 80.09 13.93 23.84 37.26 92.86 57.86 -76.06 -21.07 39.59 0.08 60.33 0.53 1.90 38.44 52.47 6.47 0.09 0.03 0.07 20 I C S 9.86 24.25 18.78 42.66 111.02 77.89 -90.31 121.33 82.78 2.58 14.63 6.38 57.23 17.59 14.04 1.01 0.24 0.57 2.92 21 Y C T 73.73 15.83 23.56 38.00 104.62 -43.77 -76.80 80.71 95.93 0.54 3.53 1.12 12.53 83.07 1.51 1.08 0.01 0.21 0.47 22 G C T 32.87 10.37 23.29 33.84 95.87 -49.08 84.88 2.36 99.37 0.10 0.53 3.08 17.83 78.57 0.14 0.27 0.00 0.06 0.04 23 I C C 11.86 23.20 13.78 37.01 117.06 122.16 -100.14 128.68 97.05 2.53 0.41 75.66 19.29 1.24 0.25 0.14 0.00 0.60 2.82 24 G C C 27.80 6.46 23.41 29.92 124.01 -142.98 -84.80 164.71 99.53 0.26 0.21 98.05 1.41 0.14 0.14 0.02 0.00 0.07 0.18 25 R H H 124.60 11.76 15.92 27.77 92.18 -100.98 -60.23 -37.60 4.07 0.01 95.93 0.60 0.69 2.32 95.97 0.43 0.00 0.00 0.00 26 T H H 92.27 1.79 22.62 23.04 91.80 52.02 -64.44 -40.86 3.10 0.00 96.89 0.41 0.31 2.10 96.60 0.58 0.00 0.00 0.00 27 R H H 76.38 11.75 20.41 32.21 92.23 48.28 -66.67 -40.21 0.88 0.00 99.12 0.21 0.08 0.46 98.84 0.40 0.00 0.00 0.00 28 S H H 2.90 25.08 14.80 40.18 91.16 51.63 -62.64 -43.10 0.18 0.00 99.82 0.03 0.01 0.07 99.83 0.04 0.00 0.00 0.00 29 N H H 75.18 9.30 22.77 32.20 91.39 51.07 -63.41 -40.74 0.08 0.00 99.92 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 30 E H H 100.05 3.26 25.53 28.12 91.70 50.07 -64.23 -42.09 0.06 0.00 99.94 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 31 I H H 8.55 20.66 19.72 40.52 91.51 48.90 -64.30 -43.80 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 32 L H H 8.17 22.69 17.05 39.67 91.51 50.17 -62.90 -42.69 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 33 A H H 71.01 3.64 21.87 25.91 91.52 51.18 -63.49 -40.25 0.31 0.00 99.69 0.01 0.01 0.25 99.57 0.16 0.00 0.00 0.00 34 A H H 60.45 7.13 19.66 27.61 90.80 54.01 -66.27 -29.68 3.20 0.00 96.79 0.03 0.05 3.35 96.29 0.26 0.00 0.00 0.00 35 T C T 22.46 18.55 14.56 33.20 94.87 45.21 -93.27 0.29 56.00 0.01 43.99 0.18 0.74 55.65 42.77 0.63 0.00 0.00 0.01 36 G C T 54.27 2.12 22.84 24.59 94.58 -110.78 78.95 18.36 99.91 0.00 0.09 1.57 0.83 97.56 0.03 0.01 0.00 0.00 0.00 37 I C C 14.96 23.16 9.87 32.28 119.03 144.21 -94.10 138.12 99.30 0.65 0.05 96.18 2.94 0.06 0.02 0.01 0.00 0.14 0.64 38 D C C 83.51 3.69 23.90 26.98 111.64 -118.16 -79.89 126.66 99.71 0.24 0.05 99.33 0.36 0.08 0.01 0.01 0.00 0.06 0.15 39 K C T 79.53 17.78 12.89 30.00 92.00 -144.47 -65.82 -19.04 99.72 0.09 0.19 0.87 3.62 95.29 0.02 0.13 0.00 0.05 0.03 40 N C T 116.72 2.33 20.68 23.17 93.28 59.94 -90.01 0.43 99.82 0.07 0.11 0.93 3.00 95.91 0.01 0.10 0.00 0.04 0.01 41 M C C 38.06 14.48 13.82 29.60 117.39 116.39 -71.05 142.51 99.13 0.84 0.03 74.36 24.77 0.12 0.00 0.02 0.00 0.31 0.41 42 R E B 91.39 7.22 23.62 31.08 118.83 -117.77 -79.00 150.73 38.27 61.69 0.05 34.62 0.31 0.01 0.03 0.01 0.00 4.09 60.93 43 T H G 11.88 24.20 13.09 37.55 90.83 -116.79 -58.33 -36.39 10.55 0.07 89.38 0.56 0.84 7.29 0.44 90.81 0.00 0.05 0.00 44 K H G 120.18 7.34 20.03 28.27 89.91 63.58 -67.91 -19.61 10.07 0.02 89.90 0.14 0.52 7.82 0.30 91.21 0.00 0.01 0.00 45 D H G 92.33 3.96 21.15 25.62 94.72 55.41 -92.48 -1.17 10.30 0.05 89.64 0.86 1.30 5.77 0.36 91.68 0.00 0.02 0.01 46 L C C 11.33 24.20 8.00 30.85 116.49 107.84 -76.07 138.98 99.22 0.52 0.26 74.97 23.88 0.20 0.10 0.12 0.00 0.09 0.64 47 T C C 67.45 2.78 21.54 23.32 125.49 -141.47 -90.56 167.40 99.60 0.24 0.16 98.67 0.89 0.04 0.13 0.01 0.00 0.04 0.21 48 D H H 102.78 5.40 14.36 21.74 91.00 -99.77 -58.84 -38.00 1.55 0.00 98.45 0.25 0.29 0.86 98.33 0.27 0.00 0.00 0.00 49 D H H 108.62 1.32 19.26 19.36 91.50 52.76 -64.41 -39.47 0.53 0.00 99.47 0.05 0.04 0.35 99.31 0.24 0.00 0.00 0.00 50 Q H H 45.29 14.17 16.94 31.33 92.06 48.95 -66.02 -40.39 0.16 0.00 99.84 0.03 0.01 0.09 99.68 0.19 0.00 0.00 0.00 51 V H H 11.70 20.74 15.61 36.45 91.44 50.66 -63.33 -43.06 0.06 0.00 99.94 0.01 0.00 0.03 99.92 0.04 0.00 0.00 0.00 52 T H H 61.31 4.09 22.87 26.94 91.21 50.57 -63.42 -41.70 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 53 V H H 58.73 5.93 22.57 29.06 91.49 50.45 -64.05 -42.17 0.13 0.00 99.87 0.00 0.00 0.09 99.87 0.02 0.00 0.00 0.00 54 L H H 4.71 23.93 17.12 41.28 91.64 50.12 -63.71 -42.77 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 55 R H H 83.16 14.34 20.36 33.92 91.50 52.07 -62.15 -41.84 0.13 0.00 99.87 0.01 0.00 0.08 99.86 0.05 0.00 0.00 0.00 56 D H H 85.83 2.08 23.27 23.73 91.73 50.14 -64.84 -41.02 0.39 0.00 99.61 0.03 0.02 0.27 99.55 0.13 0.00 0.00 0.00 57 Y H H 53.71 11.40 18.32 30.79 92.29 49.62 -65.08 -42.14 1.11 0.00 98.89 0.11 0.07 0.80 98.71 0.30 0.00 0.00 0.00 58 I H H 15.45 21.17 13.50 34.23 93.51 46.29 -67.78 -39.80 3.94 0.02 96.04 0.59 0.36 2.79 95.67 0.56 0.01 0.01 0.01 59 E H H 112.38 6.03 16.77 23.87 93.71 50.61 -69.61 -30.42 18.58 0.09 81.33 2.00 1.66 14.73 80.38 1.11 0.03 0.03 0.06 60 G C T 53.07 1.85 16.63 18.16 98.43 43.88 -79.71 -29.65 65.15 0.16 34.69 4.00 6.88 51.80 35.26 1.86 0.02 0.05 0.12 61 N C T 101.60 4.88 15.56 21.46 102.92 22.31 -104.07 0.72 81.34 0.49 18.16 20.73 10.87 49.06 16.33 2.51 0.00 0.22 0.28 62 L C C 49.55 16.28 11.00 26.72 114.36 94.38 -99.72 124.34 90.23 5.02 4.75 71.31 13.83 4.89 3.52 1.50 0.00 3.50 1.46 63 K C C 129.39 4.43 19.28 25.06 117.50 -162.83 -101.82 127.79 78.69 18.41 2.90 73.45 3.27 1.77 2.10 0.87 0.00 14.18 4.35 64 V C C 44.22 17.73 11.12 27.98 118.60 -163.11 -105.57 129.78 72.20 22.62 5.18 64.49 4.58 2.11 4.46 1.29 0.00 17.59 5.46 65 E C C 119.49 4.65 16.36 22.10 114.98 -145.54 -91.98 139.69 71.01 9.57 19.41 50.27 10.86 8.65 17.68 3.15 0.03 7.71 1.64 66 G C H 40.35 4.78 16.09 21.77 119.79 30.68 92.55 -161.85 59.29 1.96 38.75 21.39 20.90 17.53 34.21 4.22 0.08 0.95 0.72 67 D H H 84.12 4.65 17.17 22.37 103.59 -32.01 -81.37 86.88 44.93 0.87 54.20 29.01 6.16 9.74 50.83 3.48 0.01 0.43 0.34 68 L H H 37.30 16.44 12.85 29.20 94.14 103.66 -66.09 -35.94 12.42 0.19 87.39 7.47 1.81 3.73 84.71 2.11 0.01 0.09 0.07 69 R H H 112.01 9.87 17.11 27.43 91.98 55.75 -63.31 -40.79 3.37 0.04 96.58 1.73 0.48 1.28 95.49 0.98 0.00 0.02 0.01 70 R H H 142.39 2.24 20.12 21.80 91.96 49.99 -65.56 -40.24 1.51 0.02 98.47 0.71 0.20 0.63 97.92 0.54 0.00 0.01 0.00 71 E H H 84.74 6.94 19.69 27.31 92.35 50.14 -65.59 -41.15 0.96 0.01 99.03 0.39 0.11 0.43 98.78 0.28 0.00 0.00 0.00 72 V H H 19.90 17.77 16.49 34.39 91.84 49.44 -64.26 -42.75 0.83 0.01 99.16 0.29 0.08 0.39 99.06 0.17 0.00 0.00 0.00 73 Q H H 78.59 8.06 20.88 29.39 91.72 51.02 -63.10 -41.56 0.61 0.00 99.39 0.17 0.05 0.31 99.36 0.10 0.00 0.00 0.00 74 A H H 46.35 3.38 22.11 25.30 91.42 50.53 -63.72 -42.07 0.43 0.00 99.57 0.09 0.03 0.24 99.57 0.07 0.00 0.00 0.00 75 D H H 34.51 12.32 19.89 32.87 92.07 50.22 -65.25 -40.83 0.48 0.00 99.52 0.07 0.02 0.28 99.56 0.06 0.00 0.00 0.00 76 I H H 22.71 18.40 17.73 36.03 91.83 50.84 -64.19 -42.16 0.40 0.00 99.60 0.05 0.02 0.24 99.65 0.05 0.00 0.00 0.00 77 R H H 130.95 3.93 22.79 26.88 91.53 50.98 -63.55 -41.30 0.36 0.00 99.64 0.05 0.02 0.19 99.69 0.05 0.00 0.00 0.00 78 R H H 111.86 4.63 21.80 26.44 91.91 49.68 -65.19 -40.77 0.59 0.00 99.41 0.07 0.04 0.37 99.43 0.09 0.00 0.00 0.00 79 K H H 36.24 16.09 15.90 32.10 92.34 50.94 -64.74 -40.78 0.63 0.00 99.36 0.09 0.05 0.38 99.30 0.18 0.00 0.00 0.00 80 I H H 62.33 12.16 16.22 28.71 92.28 50.32 -64.88 -40.97 0.91 0.00 99.09 0.12 0.06 0.60 98.79 0.43 0.00 0.00 0.00 81 E H H 138.37 1.90 19.66 21.28 91.56 51.45 -65.90 -33.02 3.80 0.01 96.19 0.14 0.17 3.32 96.00 0.36 0.00 0.00 0.00 82 I H H 78.93 7.96 16.27 25.21 94.47 47.16 -88.04 -7.91 34.91 0.04 65.05 0.50 1.53 31.92 65.44 0.55 0.02 0.01 0.03 83 G C T 38.61 7.20 19.17 27.23 97.49 -107.45 85.65 14.83 99.06 0.06 0.88 17.19 6.26 75.71 0.65 0.13 0.00 0.03 0.03 84 C C C 22.56 15.80 15.04 31.54 119.78 153.65 -78.68 153.45 96.28 1.32 2.41 86.76 8.38 0.57 2.33 0.25 0.00 0.27 1.44 85 Y H H 91.64 11.46 21.54 33.46 92.81 -117.67 -63.55 -36.72 9.18 0.05 90.77 1.44 2.35 5.60 89.47 1.07 0.03 0.01 0.03 86 Q H H 63.33 12.08 21.72 33.59 92.55 54.57 -64.32 -41.88 3.64 0.01 96.35 0.36 0.38 2.75 95.51 0.98 0.01 0.00 0.00 87 G H H 7.40 12.83 18.08 32.82 91.79 51.31 -63.46 -42.51 2.26 0.02 97.72 0.47 0.24 1.40 96.48 1.39 0.00 0.01 0.00 88 L H H 39.38 9.42 19.53 30.44 91.75 49.91 -64.19 -42.16 1.59 0.02 98.39 0.35 0.20 0.93 97.50 1.01 0.00 0.01 0.00 89 R H H 64.38 9.67 17.37 28.36 92.33 49.93 -64.58 -42.35 1.97 0.03 98.01 0.41 0.23 1.23 97.09 1.01 0.01 0.01 0.01 90 H H H 76.93 10.48 15.52 26.74 92.40 49.44 -65.17 -40.96 2.18 0.01 97.80 0.27 0.14 1.59 95.76 2.21 0.00 0.01 0.00 91 R H H 134.31 6.42 16.04 23.77 91.57 51.26 -66.62 -31.21 8.19 0.02 91.79 0.32 0.37 7.45 89.68 2.14 0.02 0.01 0.01 92 R C T 133.81 4.50 15.11 20.72 93.75 48.91 -90.64 1.04 61.92 0.03 38.05 0.44 1.24 60.99 35.36 1.92 0.01 0.01 0.03 93 G C T 56.97 1.97 16.41 18.67 95.58 -107.72 81.20 12.88 99.77 0.01 0.22 1.81 1.42 96.63 0.10 0.03 0.00 0.00 0.00 94 L C C 56.39 10.41 10.81 22.82 117.28 142.44 -88.33 139.02 99.77 0.19 0.03 92.60 7.10 0.09 0.01 0.01 0.00 0.06 0.12 95 P C C 75.85 4.80 18.52 23.93 112.37 -104.79 -65.62 145.07 99.07 0.68 0.25 95.23 3.34 0.53 0.07 0.12 0.00 0.25 0.46 96 V C C 46.77 17.09 11.07 27.25 117.24 -152.28 -104.97 134.33 84.08 14.25 1.67 73.21 7.29 1.57 0.83 0.73 0.00 3.16 13.21 97 R C S 139.93 5.64 16.14 22.79 110.87 -119.77 -80.18 124.65 85.59 5.10 9.31 27.60 29.81 29.13 4.06 4.38 0.02 2.39 2.60 98 G C T 43.19 6.51 14.20 21.57 100.86 3.99 79.40 -4.61 84.13 1.90 13.97 19.94 29.30 35.85 6.66 6.22 0.02 0.81 1.19 99 Q C C 105.00 6.38 13.43 21.00 100.40 108.39 -78.82 -19.78 70.08 1.88 28.04 31.67 21.90 17.45 18.68 8.29 0.04 0.75 1.21 100 R C C 143.62 4.73 14.40 20.34 99.68 64.84 -82.00 -13.22 63.11 2.60 34.30 36.10 14.95 12.94 26.77 6.67 0.04 1.16 1.37 101 T C H 59.62 9.37 12.15 22.56 110.71 79.77 -88.78 124.49 50.96 2.25 46.78 30.93 11.84 9.53 39.42 6.17 0.04 1.09 0.98 102 K H H 125.63 5.32 14.98 21.42 98.92 -53.91 -74.88 -23.83 45.74 1.67 52.59 24.63 11.55 11.24 45.13 5.89 0.05 0.84 0.68 103 T H H 68.99 5.98 14.85 21.97 100.04 60.96 -81.01 -24.33 46.00 1.38 52.62 24.74 10.91 11.89 45.55 5.61 0.04 0.65 0.62 104 N H H 68.18 7.71 14.18 23.14 98.29 56.17 -75.07 -21.00 45.83 1.15 53.03 26.10 9.90 11.51 45.02 6.37 0.03 0.52 0.56 105 A H H 48.43 9.52 12.41 22.98 94.88 73.48 -68.22 -28.53 44.95 1.14 53.91 22.74 9.36 14.40 43.25 9.12 0.04 0.56 0.53 106 R C H 149.11 3.71 14.37 19.29 95.47 60.66 -73.85 -20.33 49.62 1.68 48.70 25.54 10.78 14.97 38.46 8.60 0.05 0.82 0.78 107 T C C 87.17 4.23 13.18 18.55 99.05 52.59 -89.56 -1.23 60.44 2.40 37.16 33.11 13.19 15.32 29.39 6.66 0.04 1.09 1.21 108 R C C 123.00 8.04 9.55 18.68 113.23 98.42 -85.44 132.48 80.67 2.07 17.26 49.76 19.52 10.96 14.29 3.39 0.00 0.89 1.18 109 K C C 159.02 1.70 12.06 14.74 110.18 -147.42 -91.49 112.23 88.59 2.93 8.47 58.37 21.01 8.85 6.42 2.21 0.00 1.25 1.91 110 G C C 37.17 5.84 9.77 17.27 128.50 -47.51 -111.84 175.35 95.53 2.00 2.47 57.50 34.54 3.62 1.28 1.11 0.00 0.88 1.08 111 P C C 97.42 3.16 11.03 15.74 111.51 -62.97 -68.44 145.65 87.30 1.74 10.96 59.49 13.14 14.34 2.96 8.26 0.00 0.99 0.81 112 K C C 152.96 2.57 9.06 13.49 109.93 -119.41 -84.12 126.27 84.02 2.66 13.32 52.59 15.50 15.78 3.32 10.16 0.00 1.48 1.16 113 R C C 167.25 2.60 8.39 12.88 112.95 -143.63 -92.48 128.96 84.32 3.33 12.34 53.28 18.51 12.75 2.80 9.48 0.00 2.03 1.14 114 T C C 102.65 2.62 8.73 13.19 111.75 -156.64 -98.67 108.88 88.54 4.09 7.37 75.95 5.72 7.76 2.26 4.12 0.00 2.72 1.47 115 I C C 113.23 5.33 10.23 17.04 108.78 -156.37 -93.98 100.25 99.64 0.29 0.08 98.92 0.56 0.24 0.03 0.02 0.00 0.15 0.07