# 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 K C C 132.12 4.45 15.58 21.27 115.81 -146.53 -91.41 132.99 99.66 0.22 0.12 99.64 0.09 0.06 0.07 0.01 0.00 0.10 0.03 1 V C C 73.32 9.37 11.21 21.47 113.62 -147.05 -90.38 128.95 68.96 9.49 21.54 65.09 1.29 3.37 17.55 3.47 0.00 5.92 3.30 2 L C C 76.12 9.08 11.19 21.27 103.41 -123.60 -76.79 -9.05 55.41 7.77 36.82 40.93 6.96 7.36 25.10 12.05 0.02 5.64 1.95 3 R C C 133.39 6.76 12.79 20.64 100.44 59.84 -74.97 -17.69 48.11 5.35 46.54 30.40 8.08 9.74 27.30 19.39 0.04 3.66 1.40 4 D H H 96.23 4.20 13.99 19.34 97.42 63.38 -77.02 -15.76 45.08 2.18 52.74 20.56 8.88 15.32 27.99 25.11 0.05 1.28 0.80 5 N C H 86.96 7.15 14.51 22.63 100.63 57.76 -88.89 8.05 50.24 2.14 47.62 20.65 9.43 20.12 24.34 23.28 0.06 1.21 0.91 6 I C C 45.98 17.03 10.42 26.39 101.54 95.48 -90.47 13.12 58.82 5.64 35.54 33.17 9.92 15.99 17.32 17.87 0.08 3.23 2.42 7 Q C T 123.75 4.00 15.44 21.25 109.88 129.62 -74.86 121.71 82.30 3.55 14.15 16.21 8.42 57.38 8.81 5.43 0.04 2.17 1.54 8 G C T 54.10 3.08 17.78 21.44 98.84 19.57 83.61 -0.51 91.71 1.85 6.44 14.62 12.92 64.53 2.33 3.76 0.00 1.31 0.51 9 I C C 32.45 19.45 9.19 27.52 115.81 120.57 -89.65 129.40 94.77 4.18 1.06 80.34 13.33 0.81 0.74 0.35 0.00 1.71 2.74 10 T C C 70.69 3.41 20.86 23.80 123.01 -144.45 -89.76 160.18 96.60 2.35 1.05 94.70 1.73 0.28 0.96 0.11 0.00 0.72 1.50 11 K H H 111.06 10.04 13.87 24.66 92.69 -105.20 -58.57 -40.04 2.88 0.01 97.11 0.81 0.53 1.29 97.06 0.31 0.00 0.00 0.00 12 P H H 79.73 2.21 19.02 20.50 91.52 52.09 -63.31 -39.51 1.64 0.01 98.35 0.35 0.16 0.96 98.11 0.42 0.00 0.00 0.00 13 A H H 30.54 7.64 16.99 26.58 91.82 50.77 -64.57 -40.62 0.64 0.01 99.35 0.18 0.06 0.31 99.06 0.38 0.00 0.01 0.00 14 I H H 17.50 18.68 13.98 32.80 91.92 50.19 -64.39 -42.23 0.45 0.01 99.54 0.13 0.06 0.21 99.43 0.16 0.00 0.01 0.00 15 R H H 115.53 6.39 19.41 26.56 91.66 50.72 -63.53 -41.12 0.78 0.02 99.20 0.24 0.09 0.37 99.19 0.10 0.00 0.01 0.00 16 R H H 128.20 2.19 20.94 21.98 91.94 49.84 -64.54 -42.05 1.08 0.03 98.89 0.28 0.13 0.57 98.87 0.13 0.00 0.02 0.01 17 L H H 40.37 10.12 16.42 28.19 92.19 49.78 -64.83 -41.66 1.60 0.07 98.33 0.44 0.22 0.87 98.13 0.29 0.01 0.03 0.01 18 A H H 23.39 13.03 12.93 27.06 92.16 51.66 -63.68 -40.39 3.42 0.08 96.50 0.84 0.32 2.10 95.96 0.71 0.01 0.05 0.02 19 R H H 165.75 1.74 16.44 18.32 92.31 49.89 -66.24 -37.36 8.65 0.11 91.24 1.10 0.74 6.59 90.23 1.21 0.03 0.06 0.04 20 R H H 165.69 1.66 14.49 16.28 94.18 51.59 -71.82 -27.32 23.03 0.16 76.81 1.46 2.04 19.75 74.84 1.66 0.08 0.06 0.09 21 G C T 42.87 5.92 11.76 19.02 98.10 43.66 -88.29 -5.32 64.54 0.16 35.30 2.32 5.59 54.94 35.16 1.79 0.02 0.06 0.12 22 G C T 56.88 1.69 15.37 16.98 98.74 -114.18 79.68 13.63 98.42 0.35 1.23 27.82 11.44 59.38 0.45 0.59 0.00 0.21 0.11 23 V C C 50.94 13.12 7.48 20.57 114.22 147.95 -84.33 130.14 92.55 6.02 1.42 88.39 3.19 1.18 0.49 0.76 0.00 4.56 1.44 24 K C C 165.32 1.11 16.15 16.68 100.02 -172.91 -90.97 -23.18 91.12 7.70 1.19 58.29 29.25 3.79 0.25 1.00 0.00 6.63 0.78 25 R C C 156.36 2.44 16.55 19.70 125.76 21.43 -131.75 139.11 59.07 39.17 1.77 46.23 9.91 3.13 0.52 1.33 0.00 36.38 2.49 26 I E E 55.03 16.87 8.66 24.37 119.89 -166.76 -116.51 129.14 43.66 55.22 1.12 39.47 2.20 0.45 0.87 0.46 0.00 44.47 12.07 27 S C C 62.74 3.09 16.08 19.70 124.04 -163.27 -100.06 164.35 79.17 19.52 1.32 75.43 2.54 0.76 0.91 0.37 0.00 18.72 1.28 28 G H H 50.35 2.77 15.00 18.38 100.76 -32.37 -3.57 -51.03 34.60 0.63 64.76 4.80 9.32 21.58 57.69 5.76 0.23 0.31 0.30 29 L H H 106.44 2.47 14.87 17.60 93.58 37.53 -68.18 -34.89 21.33 0.30 78.37 3.36 3.30 15.16 71.57 6.19 0.13 0.15 0.14 30 I H H 59.26 8.41 13.90 23.84 92.89 53.71 -65.12 -41.06 10.71 0.30 88.99 3.77 1.76 5.89 82.60 5.65 0.04 0.19 0.10 31 Y H H 73.98 11.48 13.98 26.29 92.05 52.59 -63.31 -41.99 3.22 0.08 96.70 1.45 0.48 1.44 94.99 1.57 0.01 0.04 0.02 32 E H H 117.65 2.43 18.81 21.11 92.11 49.97 -64.62 -40.96 2.11 0.03 97.87 0.60 0.24 1.20 96.83 1.11 0.00 0.02 0.00 33 E H H 105.13 3.24 19.17 22.41 92.52 48.14 -65.91 -41.18 3.51 0.02 96.47 0.47 0.30 2.53 95.59 1.08 0.01 0.01 0.01 34 T H H 28.98 13.76 16.01 30.41 92.81 47.99 -66.99 -40.66 6.20 0.02 93.78 0.76 0.53 4.58 93.37 0.74 0.01 0.01 0.01 35 R H H 94.62 10.80 17.98 28.98 91.80 53.06 -63.02 -41.33 2.69 0.01 97.31 0.49 0.22 1.73 97.26 0.31 0.00 0.00 0.00 36 G H H 34.73 2.95 20.38 23.05 91.74 50.94 -63.66 -41.45 2.59 0.00 97.41 0.29 0.16 1.92 97.26 0.36 0.00 0.00 0.00 37 V H H 64.37 5.56 19.92 26.24 91.79 49.81 -64.69 -41.92 0.52 0.00 99.48 0.09 0.03 0.30 99.42 0.15 0.00 0.00 0.00 38 L H H 36.34 14.13 16.62 31.37 91.89 50.59 -64.21 -41.87 0.12 0.00 99.88 0.02 0.00 0.06 99.87 0.05 0.00 0.00 0.00 39 K H H 100.75 6.83 19.36 26.79 91.80 51.67 -63.62 -41.25 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 40 V H H 79.19 2.62 20.69 22.52 91.71 49.90 -63.95 -42.48 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 41 F H H 81.38 7.88 19.24 27.96 91.90 48.86 -64.48 -42.22 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 42 L H H 40.78 13.61 16.84 31.00 92.05 50.30 -64.77 -41.14 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 43 E H H 96.48 4.79 20.06 25.28 91.74 51.05 -63.92 -41.29 0.13 0.00 99.87 0.01 0.00 0.09 99.89 0.01 0.00 0.00 0.00 44 N H H 79.07 3.47 20.92 24.16 92.07 49.35 -65.86 -40.82 0.42 0.00 99.58 0.02 0.01 0.31 99.63 0.02 0.00 0.00 0.00 45 V H H 38.21 11.59 18.29 30.77 92.27 49.13 -64.67 -42.80 0.58 0.00 99.42 0.06 0.03 0.38 99.50 0.04 0.00 0.00 0.00 46 I H H 54.84 11.28 18.47 30.38 91.78 50.28 -63.94 -42.44 0.40 0.00 99.59 0.08 0.03 0.22 99.57 0.10 0.00 0.00 0.00 47 R H H 135.24 2.48 22.45 24.17 91.64 50.02 -63.85 -41.89 0.44 0.00 99.55 0.07 0.03 0.28 99.50 0.12 0.00 0.00 0.00 48 D H H 65.91 5.20 21.05 26.58 91.93 48.69 -65.19 -40.96 0.85 0.00 99.14 0.12 0.06 0.58 99.08 0.16 0.00 0.00 0.00 49 A H H 17.95 14.23 16.37 31.66 91.88 51.08 -63.98 -41.83 1.24 0.01 98.75 0.20 0.10 0.80 98.64 0.24 0.00 0.00 0.00 50 V H H 61.69 6.79 19.50 27.19 91.82 50.11 -64.28 -41.40 2.17 0.04 97.79 0.42 0.24 1.34 97.63 0.34 0.01 0.02 0.01 51 T H H 72.92 2.19 21.29 22.09 91.83 49.79 -64.44 -42.02 4.06 0.09 95.85 0.96 0.51 2.46 95.43 0.56 0.01 0.05 0.02 52 Y H H 79.43 7.70 17.17 26.14 92.33 48.60 -66.06 -40.90 5.48 0.18 94.34 1.46 0.82 3.29 93.01 1.24 0.03 0.10 0.05 53 T H H 29.24 11.93 12.79 26.09 92.19 51.76 -66.69 -38.56 8.36 0.19 91.45 2.67 1.12 4.52 89.59 1.91 0.02 0.11 0.05 54 E H H 127.71 2.11 16.57 18.74 92.44 52.99 -65.59 -38.22 15.00 0.13 84.87 2.31 1.54 10.80 83.16 2.04 0.03 0.07 0.05 55 H H H 140.58 1.47 14.62 15.72 94.24 47.78 -75.23 -23.44 26.12 0.19 73.69 3.21 3.33 19.49 71.98 1.76 0.05 0.07 0.10 56 A C H 45.79 9.36 8.51 18.77 102.10 64.85 -83.24 -0.66 66.89 0.63 32.47 19.38 15.81 30.33 31.82 2.02 0.02 0.20 0.42 57 K C T 179.22 0.57 14.36 13.42 96.28 -130.26 19.02 14.91 92.22 0.36 7.42 24.94 17.52 49.83 5.40 1.93 0.00 0.15 0.22 58 R C C 119.35 5.42 9.83 17.22 123.80 103.25 -109.23 146.46 93.11 0.99 5.90 54.46 25.04 13.72 3.22 2.49 0.00 0.42 0.64 59 K C S 161.97 2.07 13.62 16.69 97.10 -147.48 -82.32 -15.31 96.23 1.44 2.33 31.11 58.70 6.74 1.06 1.09 0.00 0.91 0.38 60 T C C 86.48 3.11 17.32 21.20 128.56 41.99 -130.14 144.90 72.54 24.75 2.71 45.46 23.77 4.30 1.39 1.55 0.01 19.57 3.94 61 V C C 32.92 18.38 9.95 27.72 118.32 -152.52 -108.27 129.10 66.70 32.30 1.00 61.45 5.02 0.30 0.96 0.25 0.00 24.41 7.60 62 T C C 62.94 4.14 21.47 25.33 124.60 -149.92 -92.88 163.70 81.60 17.68 0.72 81.92 1.17 0.14 0.71 0.09 0.00 13.96 2.01 63 A H H 54.66 11.28 14.10 26.06 91.16 -103.91 -58.28 -39.20 2.06 0.01 97.93 0.34 0.28 1.25 97.74 0.39 0.00 0.00 0.00 64 M H H 111.17 2.90 20.09 22.76 91.52 54.28 -64.11 -40.09 0.63 0.00 99.36 0.08 0.04 0.43 99.18 0.27 0.00 0.00 0.00 65 D H H 42.13 10.50 18.31 29.88 91.87 50.53 -65.25 -40.48 0.20 0.00 99.80 0.03 0.01 0.12 99.59 0.25 0.00 0.00 0.00 66 V H H 15.26 19.19 16.37 35.61 91.84 49.74 -64.11 -43.32 0.09 0.00 99.91 0.01 0.00 0.05 99.85 0.08 0.00 0.00 0.00 67 V H H 56.27 7.48 20.45 28.82 91.36 49.91 -63.34 -42.74 0.12 0.00 99.88 0.01 0.00 0.09 99.85 0.05 0.00 0.00 0.00 68 Y H H 105.94 3.27 22.40 25.14 91.54 49.13 -63.94 -42.19 0.24 0.00 99.76 0.02 0.01 0.17 99.73 0.08 0.00 0.00 0.00 69 A H H 13.80 12.26 16.58 30.82 91.33 50.95 -63.11 -42.81 0.54 0.00 99.46 0.06 0.03 0.37 99.35 0.18 0.00 0.00 0.00 70 L H H 32.98 13.34 15.07 29.47 91.98 49.88 -64.38 -41.10 1.63 0.01 98.36 0.24 0.13 1.10 97.97 0.56 0.00 0.00 0.00 71 K H H 133.38 2.69 16.99 20.30 91.91 50.50 -65.16 -39.31 4.24 0.02 95.74 0.54 0.30 3.06 94.88 1.21 0.00 0.01 0.01 72 R H H 151.93 2.73 15.20 18.73 92.69 51.13 -68.46 -32.02 12.75 0.05 87.20 0.96 0.88 10.58 86.22 1.30 0.02 0.02 0.02 73 Q C T 95.98 6.85 12.34 20.44 96.38 49.44 -87.25 -4.54 56.12 0.19 43.70 2.50 3.96 47.48 44.25 1.59 0.03 0.06 0.12 74 G C T 56.80 2.36 14.33 17.38 98.47 -111.41 78.35 12.52 95.52 0.27 4.21 17.59 8.98 69.23 3.05 0.91 0.00 0.13 0.11 75 R C C 121.17 6.60 11.53 19.88 118.89 130.83 -98.75 141.02 93.80 2.48 3.72 81.36 9.46 2.90 2.29 1.35 0.00 1.20 1.44 76 T C C 82.20 5.38 13.17 20.14 117.35 -139.58 -97.39 138.48 91.13 4.99 3.88 83.87 4.61 2.60 1.98 1.62 0.00 2.75 2.57 77 L C C 92.08 8.96 10.86 20.74 104.86 -140.99 -84.64 11.65 83.13 6.90 9.97 40.50 23.91 19.56 3.02 6.31 0.03 3.31 3.36 78 Y C T 152.73 4.32 11.81 17.52 110.28 37.97 -91.46 103.55 85.09 5.17 9.74 19.38 25.61 40.56 2.66 6.57 0.03 2.77 2.41 79 G C C 56.20 2.66 11.76 15.64 103.75 -16.52 80.19 3.92 89.88 3.21 6.91 35.04 23.68 31.48 1.35 5.41 0.00 1.63 1.40 80 F C C 133.42 5.02 8.59 15.24 107.18 103.15 -92.02 48.59 90.57 4.99 4.43 58.91 15.21 16.40 1.29 2.93 0.00 2.39 2.88 81 G C C 56.15 2.47 11.07 15.04 108.51 -69.26 88.02 9.33 96.66 1.95 1.39 79.63 4.71 12.48 0.34 0.85 0.00 1.21 0.78 82 G C C 51.31 3.72 12.62 17.96 111.90 -53.74 87.69 3.77 99.88 0.10 0.02 99.33 0.41 0.16 0.01 0.00 0.00 0.05 0.02