# 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 128.33 5.52 15.14 22.15 115.07 -148.86 -90.24 133.59 99.85 0.09 0.06 99.72 0.12 0.06 0.03 0.00 0.00 0.04 0.02 1 T C C 70.05 7.73 12.27 21.29 119.37 -140.75 -92.92 149.32 73.77 2.71 23.52 68.50 1.63 4.84 18.60 3.71 0.00 1.40 1.33 2 R C H 131.24 7.00 13.35 21.52 96.93 -129.10 -70.91 -23.27 51.45 4.26 44.29 30.49 10.41 12.01 32.10 10.83 0.09 2.54 1.53 3 S C H 45.69 11.18 11.85 23.51 97.95 66.40 -74.98 -27.48 47.11 6.02 46.87 27.80 9.19 11.52 33.10 12.50 0.11 4.00 1.78 4 S H H 65.08 6.39 14.05 21.61 95.93 65.39 -73.27 -25.07 46.31 6.27 47.43 27.84 9.13 10.87 34.21 11.84 0.09 4.21 1.80 5 R C H 142.16 5.29 14.88 21.37 95.62 62.20 -75.90 -17.06 49.69 6.62 43.69 21.57 12.30 18.21 31.20 9.95 0.37 4.01 2.39 6 A C T 44.56 11.93 13.63 25.94 97.23 56.01 -83.89 -0.44 71.67 2.02 26.31 12.07 13.16 45.73 17.99 8.71 0.10 1.13 1.11 7 G C T 46.46 4.97 19.08 24.74 98.23 -103.47 83.12 5.78 89.06 2.13 8.82 20.10 17.36 52.24 3.70 4.48 0.01 1.37 0.73 8 L C C 32.27 18.80 12.23 30.58 115.50 126.47 -92.24 129.50 81.41 13.39 5.20 64.24 10.38 6.20 2.45 2.84 0.00 9.05 4.84 9 Q C C 109.69 6.13 21.57 28.39 114.24 -159.21 -101.52 122.64 78.92 17.58 3.50 57.70 16.99 3.86 2.32 1.51 0.01 11.75 5.86 10 F C C 33.00 20.25 14.53 34.14 119.99 -160.09 -107.43 131.24 88.34 10.23 1.43 64.38 23.44 1.11 1.34 0.38 0.00 7.35 2.00 11 P C C 53.32 8.02 23.24 31.79 110.69 -115.27 -68.03 138.66 90.28 6.98 2.74 87.34 2.15 1.12 2.38 0.46 0.00 4.54 2.00 12 V H H 37.46 20.06 15.82 34.69 94.37 -128.65 -62.27 -35.75 19.46 0.37 80.17 8.13 3.37 8.93 76.93 2.25 0.04 0.18 0.18 13 G H H 31.70 6.51 21.34 28.51 92.74 56.07 -61.40 -41.64 10.24 0.15 89.60 2.69 1.54 6.28 87.36 1.95 0.03 0.08 0.06 14 R H H 100.99 7.54 22.68 30.37 92.25 50.74 -66.58 -39.59 3.51 0.13 96.36 1.49 0.58 1.67 94.52 1.61 0.01 0.09 0.03 15 V H H 4.59 24.07 16.98 41.14 91.77 51.45 -64.04 -43.65 1.54 0.08 98.39 0.64 0.23 0.75 97.60 0.72 0.01 0.05 0.01 16 H H H 54.38 14.74 20.49 34.86 91.55 51.19 -62.69 -41.95 1.27 0.05 98.68 0.43 0.16 0.68 98.11 0.56 0.01 0.04 0.01 17 R H H 122.74 2.70 24.05 25.72 91.56 50.71 -63.92 -42.15 1.48 0.06 98.46 0.38 0.18 0.92 97.90 0.56 0.01 0.04 0.01 18 L H H 26.74 12.25 18.56 32.23 91.99 49.76 -64.52 -41.92 1.95 0.09 97.96 0.50 0.26 1.23 97.18 0.74 0.02 0.05 0.02 19 L H H 14.43 20.92 13.79 34.45 92.18 50.27 -65.66 -39.80 3.51 0.11 96.39 0.76 0.39 2.41 94.92 1.39 0.03 0.07 0.02 20 R H H 140.93 5.33 17.67 24.20 92.12 51.93 -66.64 -32.75 10.91 0.13 88.96 0.96 0.87 9.21 87.44 1.35 0.07 0.06 0.05 21 K C T 140.88 2.01 17.14 18.90 95.06 49.34 -83.81 -9.30 57.86 0.20 41.93 1.59 3.70 50.98 41.65 1.80 0.05 0.08 0.15 22 G C T 39.00 8.41 14.49 23.62 103.22 -89.64 83.26 9.57 92.10 0.23 7.67 4.63 11.03 76.29 6.16 1.60 0.00 0.10 0.17 23 N C C 83.89 6.24 17.14 24.33 100.53 132.10 -83.90 45.41 81.36 0.98 17.67 38.82 21.64 21.32 10.34 6.78 0.01 0.38 0.70 24 Y H H 41.19 17.54 13.78 31.05 95.66 130.81 -77.50 -21.17 44.69 1.77 53.54 21.04 8.50 15.38 31.00 22.23 0.09 0.89 0.88 25 A H H 34.35 15.00 13.58 28.63 92.48 76.42 -63.36 -30.51 21.97 0.95 77.07 6.12 3.62 11.02 40.36 37.90 0.10 0.58 0.30 26 E H H 146.62 1.55 19.66 20.53 92.99 56.82 -72.74 -22.74 22.61 0.84 76.55 4.22 3.47 13.22 41.95 36.18 0.17 0.49 0.30 27 R H H 126.81 7.11 17.53 25.29 98.18 50.57 -88.21 -20.45 30.88 1.30 67.82 6.15 6.33 17.93 40.80 27.09 0.39 0.68 0.64 28 V C S 34.35 18.85 11.16 28.66 109.89 52.63 -101.40 44.74 59.55 9.64 30.81 23.63 26.64 10.98 24.46 3.92 0.30 2.10 7.96 29 G C C 36.41 4.83 18.70 24.19 124.83 -132.83 84.38 -172.30 77.17 2.09 20.74 52.41 11.46 12.51 5.74 15.54 0.00 0.96 1.38 30 A C T 87.23 3.30 16.43 20.98 95.08 -47.22 -66.26 -16.33 77.15 0.34 22.51 1.84 7.65 68.30 3.76 17.96 0.01 0.17 0.31 31 G C T 34.16 8.71 18.29 27.66 94.48 52.14 -76.49 -7.05 75.15 0.18 24.66 5.15 5.34 64.70 6.65 17.91 0.00 0.09 0.16 32 A H H 11.75 18.85 16.40 35.75 93.09 97.46 -61.57 -41.54 5.93 0.02 94.05 3.92 1.05 1.22 93.03 0.77 0.00 0.01 0.01 33 P H H 31.98 17.78 20.10 37.05 91.89 52.90 -63.58 -39.71 1.28 0.01 98.71 0.38 0.12 0.65 98.35 0.50 0.00 0.00 0.00 34 V H H 69.82 7.44 25.30 32.88 91.81 50.08 -64.61 -41.76 0.26 0.00 99.73 0.06 0.02 0.13 99.51 0.27 0.00 0.00 0.00 35 Y H H 66.83 13.21 24.58 37.47 91.78 49.05 -64.80 -42.50 0.13 0.00 99.87 0.03 0.01 0.06 99.81 0.08 0.00 0.00 0.00 36 L H H 8.58 23.71 22.20 45.21 91.62 49.80 -64.39 -42.71 0.13 0.00 99.87 0.02 0.01 0.08 99.87 0.03 0.00 0.00 0.00 37 A H H 20.97 15.78 23.62 39.20 91.21 51.39 -62.78 -41.96 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 38 A H H 38.92 6.92 26.32 34.07 91.31 50.68 -63.69 -42.21 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 39 V H H 16.24 18.45 23.47 41.58 91.51 49.79 -64.56 -42.97 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 40 L H H 10.30 23.27 21.54 44.14 91.25 50.86 -63.51 -41.93 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 41 E H H 87.30 9.76 24.86 34.65 91.29 51.42 -63.02 -41.33 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 42 Y H H 92.57 8.40 25.36 34.03 91.85 49.02 -64.95 -41.76 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 43 L H H 12.65 20.79 21.69 42.03 91.32 49.21 -64.99 -42.45 0.18 0.00 99.82 0.01 0.01 0.11 99.84 0.02 0.00 0.00 0.00 44 T H H 21.85 18.96 21.66 39.79 91.51 51.23 -63.46 -41.89 0.30 0.00 99.70 0.03 0.01 0.20 99.71 0.04 0.00 0.00 0.00 45 A H H 44.65 6.15 24.42 31.03 91.49 51.51 -63.82 -41.55 0.27 0.00 99.73 0.02 0.01 0.18 99.70 0.07 0.00 0.00 0.00 46 E H H 68.29 9.61 24.33 34.17 91.67 49.54 -65.18 -41.27 0.40 0.00 99.60 0.04 0.02 0.27 99.55 0.11 0.00 0.00 0.00 47 I H H 7.34 23.53 19.59 42.97 91.31 49.92 -64.18 -43.23 0.47 0.00 99.52 0.07 0.03 0.31 99.45 0.15 0.00 0.00 0.00 48 L H H 47.56 14.86 21.68 36.03 91.57 50.52 -63.34 -41.43 0.88 0.01 99.11 0.14 0.06 0.57 98.88 0.34 0.00 0.00 0.00 49 E H H 114.49 3.06 25.44 28.23 91.66 50.38 -64.57 -40.69 3.31 0.02 96.67 0.40 0.22 2.50 96.12 0.73 0.01 0.01 0.01 50 L H H 39.49 13.60 21.05 34.80 92.29 48.58 -67.08 -38.92 8.02 0.06 91.92 0.99 0.70 6.11 91.10 1.02 0.02 0.03 0.02 51 A H H 13.11 19.78 17.15 36.49 92.91 52.04 -68.96 -34.64 21.12 0.35 78.53 4.63 3.06 13.70 76.19 2.02 0.07 0.15 0.18 52 G H H 30.21 9.61 20.24 29.97 97.75 58.26 -55.12 -40.17 40.46 1.04 58.50 11.69 6.21 23.79 51.68 5.49 0.10 0.54 0.49 53 N H H 95.79 4.55 21.11 25.75 97.08 42.67 -77.63 -20.30 42.10 2.43 55.47 14.64 8.38 20.69 44.73 8.95 0.17 1.63 0.80 54 A H H 35.06 11.09 15.82 27.88 97.13 66.32 -74.27 -24.40 40.87 6.02 53.11 19.06 8.15 15.61 41.24 10.01 0.19 4.42 1.33 55 A C H 34.96 12.60 12.80 25.98 101.12 67.00 -78.91 -6.44 46.29 8.88 44.84 25.95 8.14 14.15 35.01 8.18 0.16 6.38 2.03 56 R C H 145.18 4.34 14.36 19.92 103.18 84.44 -82.42 0.71 54.28 9.09 36.63 25.50 11.58 18.68 28.94 6.47 0.44 5.90 2.50 57 D C T 103.68 3.17 13.14 17.34 103.35 48.18 -85.64 32.28 71.96 3.34 24.70 26.23 16.98 29.20 18.84 5.52 0.07 1.97 1.19 58 N C T 100.03 5.27 11.42 18.13 102.29 22.40 -82.72 40.71 81.54 1.05 17.40 26.69 19.76 35.45 11.08 5.93 0.01 0.48 0.60 59 K C C 141.90 3.83 12.68 17.86 99.43 118.73 -77.30 4.41 77.25 1.98 20.77 29.43 21.43 26.96 12.34 7.88 0.02 0.97 0.97 60 K C C 117.99 6.10 14.01 21.36 108.29 86.56 -89.74 68.63 70.97 6.19 22.84 38.99 17.00 15.35 14.24 8.50 0.04 3.85 2.03 61 T C C 62.63 11.27 14.29 25.98 110.69 126.69 -95.86 105.85 69.36 9.87 20.77 47.08 12.76 9.17 14.06 7.26 0.03 7.37 2.26 62 R C C 113.30 9.19 20.24 29.50 116.38 99.08 -99.94 134.49 65.13 16.34 18.53 41.45 16.16 7.49 13.25 5.91 0.05 12.47 3.22 63 I C C 24.36 21.30 14.81 35.55 112.84 -134.51 -91.78 121.68 64.80 21.87 13.32 48.88 11.66 3.22 10.90 3.31 0.03 12.09 9.91 64 I C C 54.09 10.12 22.06 32.62 119.00 -157.21 -92.20 146.23 85.06 2.03 12.91 78.43 4.69 1.05 13.70 0.54 0.00 1.13 0.46 65 P H H 50.93 14.39 16.51 30.90 93.05 -116.19 -58.01 -38.31 8.41 0.20 91.38 3.52 1.13 4.00 89.14 2.03 0.01 0.13 0.04 66 R H H 137.73 3.70 22.51 26.42 91.83 53.55 -64.00 -38.13 4.17 0.07 95.76 1.11 0.46 2.55 93.56 2.24 0.01 0.05 0.01 67 H H H 46.02 15.02 20.14 34.88 92.27 49.94 -66.20 -40.44 1.93 0.05 98.02 0.68 0.24 1.01 95.65 2.37 0.00 0.04 0.01 68 L H H 6.60 23.99 17.73 41.64 91.64 51.03 -64.16 -42.55 1.26 0.03 98.71 0.48 0.15 0.61 97.82 0.91 0.00 0.02 0.00 69 Q H H 75.20 10.07 23.42 33.47 91.49 51.75 -63.11 -41.61 1.38 0.04 98.59 0.39 0.14 0.81 98.00 0.64 0.00 0.02 0.00 70 L H H 53.91 6.39 23.85 30.93 91.55 50.54 -63.96 -42.15 1.53 0.04 98.43 0.34 0.17 0.97 97.69 0.79 0.00 0.02 0.00 71 A H H 7.50 17.91 17.84 36.64 91.69 50.91 -64.06 -41.72 2.26 0.06 97.68 0.59 0.25 1.36 96.67 1.08 0.01 0.03 0.01 72 V H H 25.56 18.02 17.56 35.18 92.77 47.98 -67.41 -38.32 4.91 0.08 95.02 0.72 0.47 3.63 93.34 1.76 0.02 0.04 0.02 73 R H H 143.44 4.16 20.63 25.26 92.72 51.22 -69.75 -29.46 15.33 0.07 84.60 0.85 1.15 13.27 83.32 1.31 0.05 0.03 0.04 74 N C T 88.36 5.72 17.38 23.68 101.72 33.01 -106.77 12.92 65.55 0.27 34.18 12.88 7.29 43.71 34.14 1.70 0.02 0.09 0.17 75 D H H 51.14 15.90 11.16 26.08 102.40 145.73 -74.17 61.59 46.53 0.37 53.11 39.30 4.11 3.28 51.04 1.97 0.00 0.12 0.20 76 E H H 134.07 2.00 18.47 20.41 93.57 65.80 -65.23 -38.96 6.02 0.06 93.92 1.33 0.83 3.82 90.68 3.28 0.02 0.03 0.02 77 E H H 88.75 5.87 18.80 25.42 92.44 50.39 -65.78 -40.34 3.41 0.07 96.52 0.92 0.38 2.14 93.37 3.11 0.01 0.05 0.01 78 L H H 7.23 22.51 12.56 35.14 91.73 50.58 -64.18 -41.97 1.95 0.06 97.98 0.61 0.25 1.09 95.50 2.48 0.01 0.05 0.01 79 N H H 63.06 11.67 17.01 29.08 91.23 53.35 -63.50 -37.66 2.40 0.06 97.55 0.62 0.26 1.48 95.35 2.24 0.01 0.04 0.01 80 K H H 141.68 1.60 21.72 22.14 92.09 52.35 -66.03 -38.75 3.95 0.05 96.00 0.40 0.31 3.29 93.03 2.90 0.02 0.04 0.01 81 L H H 45.08 14.25 17.68 31.87 94.87 44.80 -72.05 -38.50 6.04 0.08 93.87 0.38 0.52 5.38 91.88 1.72 0.05 0.04 0.03 82 L H H 18.60 20.97 14.49 34.83 98.49 36.74 -93.10 -14.75 24.66 0.79 74.55 3.85 4.44 17.70 71.10 1.93 0.21 0.33 0.43 83 G C T 37.81 5.28 20.01 26.17 108.65 -142.96 68.75 -118.23 80.45 2.45 17.10 19.38 16.39 44.85 11.33 5.64 0.04 1.51 0.87 84 R C T 147.69 4.56 20.24 25.52 118.38 5.21 -101.47 128.98 72.54 10.18 17.27 24.20 17.37 32.44 9.29 7.12 0.13 7.78 1.68 85 V C C 31.69 20.13 12.55 31.76 118.35 -168.03 -105.81 130.91 69.26 19.73 11.02 57.74 7.64 3.10 7.98 3.60 0.02 17.38 2.55 86 T C C 69.29 6.80 22.62 29.81 119.45 -161.96 -109.25 131.86 48.23 42.46 9.31 41.26 3.41 1.96 7.66 2.48 0.02 37.65 5.56 87 I E E 46.69 18.31 14.23 31.54 112.91 -162.29 -96.49 115.45 38.63 44.11 17.27 29.30 5.12 3.82 12.73 5.81 0.11 38.09 5.02 88 A C C 53.21 9.37 15.96 25.79 105.91 86.97 -76.28 -24.62 43.19 26.20 30.60 23.56 8.79 13.58 11.00 17.78 0.19 22.43 2.66 89 Q C T 131.96 3.37 17.16 21.04 102.25 18.30 -85.96 34.14 54.45 12.62 32.92 12.77 11.47 32.37 8.40 22.40 0.35 9.73 2.52 90 G C T 42.00 7.66 16.66 24.83 104.15 -46.57 84.06 2.71 69.64 4.53 25.82 12.95 15.01 42.60 4.95 19.86 0.06 3.08 1.49 91 G C C 25.26 12.73 16.77 29.41 120.58 116.25 96.67 168.24 76.92 16.46 6.61 29.77 20.75 28.20 1.82 4.33 0.03 12.60 2.50 92 V C C 51.88 14.76 17.62 32.18 122.45 -99.12 -108.96 136.94 53.95 42.35 3.70 36.82 12.76 3.06 2.47 1.66 0.09 21.05 22.09 93 L C C 34.57 17.52 15.29 32.76 111.26 -127.23 -88.84 122.67 84.15 12.04 3.80 73.79 7.92 2.06 2.65 1.31 0.00 9.42 2.85 94 P C T 73.71 7.53 18.07 26.42 108.59 -121.46 -64.65 141.70 72.34 5.42 22.24 15.87 10.07 45.87 15.33 7.34 0.12 4.10 1.30 95 N C T 100.34 5.10 19.51 25.30 94.93 13.26 54.04 27.15 73.64 2.10 24.26 18.74 7.93 46.58 17.74 6.85 0.04 1.34 0.79 96 I H H 16.86 21.53 13.40 34.53 94.98 124.35 -71.04 -34.27 25.87 1.69 72.45 14.42 4.09 8.36 53.18 18.21 0.05 1.23 0.46 97 Q H H 76.48 14.53 16.12 30.06 92.05 65.50 -62.07 -37.31 11.12 0.83 88.05 3.65 1.64 5.45 62.69 25.67 0.03 0.74 0.13 98 S H H 73.06 3.29 19.43 23.21 91.70 56.59 -68.43 -26.91 8.71 0.48 90.81 1.87 1.09 5.01 62.14 29.36 0.03 0.44 0.06 99 V H H 56.89 11.61 17.23 29.17 95.19 51.60 -77.78 -27.44 15.69 0.67 83.65 2.39 1.95 10.15 60.15 24.58 0.11 0.51 0.16 100 L H H 31.62 18.87 14.73 32.86 98.93 45.12 -91.89 -15.91 37.39 2.84 59.78 6.79 8.54 23.65 43.55 13.62 0.88 1.57 1.39 101 L C S 56.80 13.15 13.98 27.76 115.85 84.88 -95.03 126.23 96.44 2.23 1.33 29.41 65.75 1.63 0.93 0.37 0.00 1.05 0.86 102 P C C 66.96 8.50 12.34 22.36 114.52 -120.19 -67.74 148.99 91.77 4.01 4.22 76.32 9.09 6.43 1.49 2.58 0.00 2.64 1.45 103 K C C 150.14 3.02 11.53 16.48 109.01 -115.14 -80.05 132.04 86.73 7.21 6.06 58.54 18.36 9.62 1.89 4.23 0.00 4.27 3.09 104 K C C 141.79 3.80 9.71 15.53 112.95 -126.98 -91.44 130.86 92.37 4.72 2.92 85.48 2.46 5.00 0.81 1.57 0.00 3.03 1.65 105 T C C 100.74 3.27 11.44 16.47 111.91 -149.50 -98.83 113.62 99.83 0.15 0.02 99.72 0.12 0.05 0.01 0.00 0.00 0.08 0.02