# 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 142.23 3.06 14.09 18.43 115.78 -135.74 -90.41 135.77 99.98 0.02 0.00 99.82 0.16 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 91.13 5.18 10.74 17.77 112.86 -106.64 -66.25 146.70 93.69 0.54 5.77 87.29 1.24 5.89 1.06 3.97 0.00 0.27 0.28 2 H C C 112.62 7.40 9.41 18.19 112.23 -119.99 -85.25 128.76 89.37 1.67 8.96 62.62 13.26 12.09 1.29 8.98 0.00 0.86 0.90 3 R C C 164.20 2.99 13.13 17.50 107.38 -158.56 -93.92 70.89 87.92 2.55 9.53 59.60 17.40 9.84 1.34 9.18 0.00 1.32 1.31 4 Y C C 93.20 12.43 8.77 21.16 118.52 113.37 -97.51 136.40 92.70 3.57 3.73 71.66 16.54 3.55 1.07 2.77 0.00 1.22 3.19 5 R C C 141.96 3.46 14.03 18.96 118.29 -140.33 -95.13 140.12 99.34 0.34 0.32 87.60 11.04 0.66 0.16 0.11 0.00 0.10 0.33 6 P C T 100.74 4.35 12.08 18.06 110.15 -97.58 -60.71 138.51 95.98 0.13 3.89 4.49 5.09 86.78 1.87 1.60 0.00 0.05 0.11 7 G C T 55.37 2.41 14.66 17.75 97.09 21.97 85.30 -3.05 94.93 0.11 4.96 5.54 5.83 83.93 2.61 1.96 0.00 0.05 0.08 8 T C C 42.15 9.25 11.08 22.21 115.53 124.63 -81.38 145.86 75.17 2.32 22.51 56.17 15.86 2.38 21.86 1.33 0.00 0.53 1.87 9 V H H 86.60 4.00 16.85 21.70 94.01 -133.40 -63.22 -38.90 4.27 0.04 95.70 1.57 0.77 1.92 94.97 0.73 0.00 0.02 0.01 10 A H H 34.10 9.94 15.77 27.07 92.13 52.93 -64.25 -41.06 2.18 0.02 97.79 0.67 0.26 1.18 97.08 0.78 0.00 0.01 0.00 11 L H H 44.55 10.99 15.59 27.88 91.93 49.99 -65.08 -40.69 0.82 0.01 99.17 0.26 0.09 0.40 98.69 0.55 0.00 0.00 0.00 12 R H H 116.06 3.65 19.27 23.20 91.90 51.33 -64.08 -41.15 0.44 0.00 99.55 0.12 0.04 0.21 99.45 0.18 0.00 0.00 0.00 13 E H H 84.56 5.15 19.19 25.04 91.70 50.15 -64.70 -41.21 0.59 0.00 99.40 0.11 0.04 0.34 99.37 0.14 0.00 0.00 0.00 14 I H H 35.77 13.78 15.79 30.39 92.16 50.31 -64.83 -41.85 0.69 0.00 99.31 0.13 0.05 0.40 99.27 0.16 0.00 0.00 0.00 15 R H H 114.99 5.76 18.61 25.25 91.81 51.72 -63.81 -40.69 1.01 0.00 98.99 0.18 0.08 0.60 98.77 0.37 0.00 0.00 0.00 16 R H H 130.24 2.49 19.41 21.45 92.14 50.31 -65.21 -40.49 3.05 0.01 96.94 0.37 0.23 2.19 96.43 0.77 0.01 0.00 0.00 17 Y H H 71.13 10.38 15.46 26.98 92.96 49.31 -67.32 -38.46 6.72 0.03 93.25 1.17 0.75 4.47 92.44 1.13 0.01 0.01 0.02 18 Q H H 70.35 12.03 14.60 26.93 92.72 56.02 -65.58 -37.86 14.24 0.11 85.65 3.97 1.85 8.17 83.47 2.43 0.02 0.05 0.05 19 K H H 142.45 1.84 18.28 19.60 92.98 52.27 -69.09 -34.03 28.61 0.17 71.23 4.22 3.44 20.70 68.43 3.01 0.04 0.06 0.09 20 S C H 54.59 4.80 16.64 22.20 100.31 45.65 -88.15 -19.52 50.48 0.33 49.19 19.18 6.42 24.82 46.04 3.19 0.01 0.12 0.21 21 T H H 34.73 15.68 13.11 28.42 95.37 73.13 -67.43 -38.01 17.28 0.16 82.56 9.10 3.62 5.10 79.84 2.20 0.00 0.06 0.07 22 E H H 105.56 6.32 17.40 24.69 93.04 60.18 -63.79 -39.23 6.64 0.06 93.29 1.95 1.01 3.72 90.32 2.94 0.01 0.03 0.02 23 L H H 76.93 3.72 18.59 22.69 92.51 51.48 -65.46 -40.91 4.25 0.07 95.68 1.21 0.61 2.53 91.95 3.63 0.02 0.05 0.02 24 L H H 38.00 12.25 15.94 29.26 92.58 51.00 -65.36 -41.79 2.93 0.04 97.03 0.78 0.39 1.72 92.94 4.12 0.01 0.03 0.01 25 I H H 32.32 16.96 14.52 31.35 92.59 50.85 -66.02 -38.91 4.34 0.04 95.63 0.57 0.39 3.13 88.11 7.75 0.01 0.02 0.01 26 R H H 143.36 4.31 18.52 23.80 92.40 54.56 -68.03 -28.99 21.22 0.03 78.75 0.76 0.89 19.64 72.44 6.21 0.03 0.02 0.02 27 K H H 123.27 4.31 18.26 23.13 95.80 50.03 -88.59 -10.47 46.95 0.07 52.98 1.83 2.70 42.05 47.88 5.42 0.03 0.03 0.06 28 L C C 28.74 18.27 11.54 29.35 110.33 100.61 -78.92 127.71 74.29 0.28 25.43 36.01 31.93 4.43 25.94 1.39 0.00 0.06 0.23 29 P H H 65.16 5.79 20.32 26.88 93.65 -142.09 -63.27 -34.02 28.09 0.11 71.80 8.65 3.03 16.07 68.94 3.19 0.01 0.05 0.07 30 F H H 42.82 16.86 17.00 33.48 93.11 55.40 -66.29 -36.72 12.72 0.07 87.22 3.40 1.30 7.86 84.46 2.91 0.01 0.03 0.03 31 Q H H 58.21 13.99 18.04 31.84 91.89 56.72 -63.05 -40.54 1.94 0.01 98.05 0.77 0.23 0.85 96.83 1.31 0.00 0.00 0.00 32 R H H 124.07 3.56 22.52 25.81 91.78 51.00 -64.83 -40.67 0.94 0.01 99.05 0.28 0.09 0.48 98.53 0.60 0.00 0.00 0.00 33 L H H 45.01 10.40 20.24 31.43 91.96 50.52 -64.63 -42.48 0.66 0.01 99.33 0.17 0.06 0.35 99.08 0.34 0.00 0.00 0.00 34 V H H 13.44 19.74 17.02 36.76 91.97 50.16 -63.99 -42.63 0.43 0.00 99.57 0.09 0.03 0.23 99.49 0.16 0.00 0.00 0.00 35 R H H 107.69 8.21 20.68 29.39 91.49 51.42 -63.17 -41.24 0.51 0.00 99.49 0.08 0.03 0.31 99.39 0.18 0.00 0.00 0.00 36 E H H 95.55 3.00 22.41 24.58 91.72 49.81 -64.75 -41.52 1.04 0.00 98.95 0.13 0.06 0.72 98.79 0.29 0.00 0.00 0.00 37 I H H 30.74 12.73 17.88 31.73 92.28 49.41 -65.16 -41.56 1.91 0.01 98.08 0.27 0.15 1.27 97.67 0.63 0.00 0.00 0.00 38 A H H 15.32 15.65 13.80 30.28 91.79 52.39 -64.63 -37.90 4.94 0.02 95.04 0.78 0.40 3.39 92.92 2.49 0.01 0.01 0.01 39 Q H H 115.19 2.81 17.92 21.12 92.41 53.69 -66.07 -36.32 18.25 0.04 81.72 1.17 1.05 15.83 76.88 5.00 0.02 0.02 0.02 40 D H H 96.42 2.87 16.62 19.77 94.20 51.24 -76.16 -23.94 31.71 0.08 68.20 2.43 2.41 26.69 63.86 4.50 0.03 0.03 0.05 41 F C H 68.50 12.88 10.40 23.43 102.50 59.42 -92.16 16.55 61.89 0.84 37.27 29.47 13.12 20.01 32.51 4.01 0.02 0.28 0.58 42 K C C 139.83 3.60 13.58 18.62 102.79 108.95 -68.62 39.14 84.39 0.87 14.74 57.65 9.20 16.85 11.96 3.39 0.00 0.40 0.57 43 T C C 87.03 4.75 11.29 17.45 104.20 87.80 -90.38 -4.12 81.35 0.87 17.77 41.82 21.89 17.75 11.80 5.81 0.00 0.35 0.57 44 D C C 100.50 3.83 12.79 17.53 103.93 60.92 -86.15 28.77 75.26 0.87 23.87 41.13 18.63 15.59 14.96 8.79 0.00 0.35 0.56 45 L C C 92.29 7.73 11.34 20.18 100.48 86.57 -76.00 -0.09 61.55 1.50 36.95 36.57 11.98 12.60 22.89 14.51 0.01 0.75 0.69 46 R C C 141.44 4.48 15.60 21.13 100.54 81.89 -79.48 -9.06 56.38 3.30 40.32 36.64 9.24 10.22 27.42 13.37 0.02 1.95 1.15 47 F C C 70.49 13.86 11.98 25.69 104.82 71.57 -86.15 38.77 53.73 3.75 42.51 38.76 7.92 7.26 32.71 9.87 0.01 2.15 1.32 48 Q H H 89.87 6.95 16.74 24.42 107.54 92.88 -79.01 126.16 49.02 1.18 49.80 38.44 5.53 4.67 47.74 2.64 0.00 0.55 0.42 49 S H H 65.37 6.03 15.79 22.76 94.62 15.23 -65.37 -37.99 16.33 0.16 83.50 8.59 3.21 4.68 81.96 1.43 0.00 0.06 0.06 50 S H H 65.60 3.01 19.15 21.93 93.02 51.38 -66.64 -38.89 6.07 0.05 93.88 2.61 0.93 2.47 93.00 0.94 0.00 0.02 0.02 51 A H H 22.92 11.85 16.22 29.36 92.38 51.31 -65.39 -41.55 2.06 0.02 97.91 0.93 0.26 0.85 97.38 0.56 0.00 0.01 0.00 52 V H H 32.07 14.52 16.90 31.81 92.07 49.90 -64.20 -42.18 0.86 0.01 99.12 0.36 0.10 0.37 98.91 0.25 0.00 0.01 0.00 53 M H H 93.76 3.89 21.81 25.62 91.68 50.15 -64.12 -41.35 0.54 0.01 99.46 0.20 0.05 0.24 99.37 0.13 0.00 0.00 0.00 54 A H H 44.98 5.26 20.72 26.66 91.71 50.68 -64.06 -41.57 0.46 0.00 99.54 0.13 0.04 0.23 99.51 0.10 0.00 0.00 0.00 55 L H H 35.73 15.01 17.89 33.09 92.31 50.19 -64.66 -41.51 0.32 0.00 99.67 0.08 0.02 0.17 99.66 0.07 0.00 0.00 0.00 56 Q H H 74.40 11.25 20.01 31.21 91.90 50.94 -63.46 -41.17 0.31 0.00 99.69 0.06 0.02 0.17 99.70 0.05 0.00 0.00 0.00 57 E H H 110.62 2.72 22.98 24.97 91.87 49.61 -65.04 -41.29 0.41 0.00 99.59 0.06 0.03 0.23 99.62 0.06 0.00 0.00 0.00 58 A H H 40.48 7.13 20.46 28.54 92.00 49.99 -65.23 -41.37 0.64 0.00 99.36 0.10 0.04 0.37 99.42 0.08 0.00 0.00 0.00 59 S H H 20.74 15.48 17.73 33.54 92.15 51.00 -64.72 -40.93 0.87 0.00 99.13 0.16 0.05 0.49 99.20 0.10 0.00 0.00 0.00 60 E H H 88.00 8.66 20.96 29.86 91.99 51.45 -64.08 -40.78 0.41 0.00 99.59 0.05 0.02 0.24 99.62 0.07 0.00 0.00 0.00 61 A H H 56.02 3.64 22.12 25.47 91.80 51.44 -64.86 -40.79 0.23 0.00 99.77 0.02 0.01 0.14 99.77 0.05 0.00 0.00 0.00 62 Y H H 85.32 10.63 20.69 31.47 92.22 49.78 -65.25 -41.69 0.17 0.00 99.83 0.02 0.01 0.11 99.82 0.05 0.00 0.00 0.00 63 L H H 34.98 16.51 18.90 35.13 92.22 50.18 -64.30 -42.35 0.17 0.00 99.83 0.02 0.00 0.10 99.82 0.05 0.00 0.00 0.00 64 V H H 65.18 6.69 21.94 29.09 91.87 50.33 -64.23 -41.98 0.23 0.00 99.77 0.02 0.01 0.15 99.74 0.08 0.00 0.00 0.00 65 A H H 44.49 5.43 21.78 27.77 91.66 50.68 -64.27 -41.66 0.72 0.00 99.28 0.06 0.03 0.53 99.15 0.23 0.00 0.00 0.00 66 L H H 33.02 15.32 19.14 34.51 92.26 49.96 -65.06 -42.08 2.43 0.00 97.56 0.18 0.13 1.92 97.27 0.49 0.00 0.00 0.00 67 F H H 55.10 14.91 19.00 33.66 92.43 50.42 -65.25 -40.90 6.05 0.04 93.90 1.09 0.68 4.00 93.14 1.04 0.01 0.02 0.02 68 E H H 107.80 4.17 22.69 26.88 92.27 51.58 -65.60 -39.61 13.51 0.12 86.37 2.54 1.61 9.02 85.13 1.55 0.03 0.05 0.05 69 D H H 63.55 8.73 21.30 30.20 94.13 47.44 -70.57 -35.81 23.82 0.18 76.00 5.63 2.85 14.70 74.64 1.99 0.02 0.08 0.09 70 T H H 22.34 18.85 17.87 35.96 93.92 53.68 -68.54 -36.84 26.76 0.37 72.87 8.49 4.32 14.33 69.69 2.77 0.05 0.17 0.18 71 N H H 72.01 10.27 22.12 32.14 93.11 57.98 -64.53 -39.17 22.23 0.40 77.37 8.19 3.03 11.48 74.14 2.76 0.03 0.21 0.16 72 L H H 71.79 5.94 23.48 29.50 92.39 51.63 -65.34 -41.86 10.38 0.41 89.21 3.88 1.80 5.36 84.56 3.96 0.06 0.26 0.13 73 C H H 19.55 14.23 18.98 34.01 92.47 50.37 -65.18 -41.60 6.66 0.62 92.72 2.44 1.09 3.59 87.22 4.98 0.06 0.51 0.12 74 A H H 16.85 14.30 16.58 31.91 92.34 52.01 -64.23 -40.68 6.92 0.81 92.27 2.49 1.09 3.74 86.59 5.16 0.07 0.75 0.13 75 I H H 89.34 4.71 19.85 24.77 92.79 50.10 -65.91 -40.57 9.87 0.99 89.14 2.72 1.47 6.13 84.57 3.95 0.13 0.84 0.19 76 H H H 108.00 5.24 18.24 24.01 93.47 47.69 -70.03 -30.93 19.44 1.02 79.54 4.14 2.93 13.10 75.94 2.70 0.22 0.66 0.31 77 A C H 32.08 13.25 12.04 25.77 96.55 52.74 -82.20 -7.80 57.83 1.25 40.92 14.45 9.02 33.49 39.21 2.60 0.07 0.58 0.57 78 K C T 160.40 2.02 17.65 20.07 95.39 -125.90 57.73 32.58 81.91 0.54 17.55 14.50 12.82 53.79 15.35 2.97 0.01 0.25 0.32 79 R C T 114.59 8.19 14.41 23.58 126.67 91.00 -119.45 146.52 89.43 1.36 9.21 29.51 25.31 35.05 5.95 2.89 0.00 0.66 0.62 80 V C C 89.30 8.29 14.92 24.02 99.86 -140.39 -90.32 -9.10 90.84 5.21 3.95 45.89 36.65 8.78 2.05 1.82 0.00 3.16 1.66 81 T C C 73.94 4.80 20.74 26.15 127.76 52.25 -121.84 143.94 89.23 8.39 2.38 60.09 24.41 5.05 0.96 1.41 0.00 6.06 2.01 82 I C C 32.38 20.85 11.60 31.81 111.94 -129.25 -91.05 122.46 90.23 8.33 1.44 76.39 12.16 1.29 0.80 0.68 0.00 4.06 4.61 83 M C C 74.02 6.78 20.00 27.38 123.87 -165.89 -98.27 156.45 99.21 0.36 0.42 96.37 2.82 0.07 0.45 0.02 0.00 0.12 0.14 84 P H H 81.08 6.75 16.32 24.34 90.95 -107.76 -57.76 -38.20 2.36 0.00 97.64 0.28 0.21 1.60 97.15 0.76 0.00 0.00 0.00 85 K H H 120.05 3.60 20.58 24.56 91.53 54.66 -64.16 -38.50 0.98 0.00 99.02 0.10 0.05 0.68 98.47 0.70 0.00 0.00 0.00 86 D H H 16.59 18.46 16.55 35.13 92.01 50.85 -65.32 -41.03 0.27 0.00 99.73 0.05 0.02 0.14 99.26 0.53 0.00 0.00 0.00 87 I H H 22.94 17.71 18.23 35.89 91.68 50.67 -64.20 -42.00 0.09 0.00 99.91 0.01 0.00 0.05 99.83 0.10 0.00 0.00 0.00 88 Q H H 92.20 3.72 24.76 28.09 91.36 50.87 -63.23 -42.19 0.12 0.00 99.88 0.01 0.00 0.07 99.87 0.05 0.00 0.00 0.00 89 L H H 34.78 10.40 21.72 33.28 91.63 50.30 -63.95 -42.45 0.15 0.00 99.85 0.01 0.00 0.09 99.84 0.05 0.00 0.00 0.00 90 A H H 5.24 20.74 16.88 38.30 91.33 51.29 -62.76 -42.89 0.26 0.00 99.74 0.03 0.01 0.16 99.71 0.09 0.00 0.00 0.00 91 R H H 88.59 9.30 20.21 30.06 91.55 51.14 -63.75 -40.96 0.80 0.00 99.20 0.10 0.05 0.52 99.03 0.29 0.00 0.00 0.00 92 R H H 132.03 3.16 20.76 23.90 91.96 50.67 -64.94 -40.64 1.82 0.01 98.17 0.21 0.11 1.30 97.78 0.59 0.00 0.00 0.00 93 I H H 48.70 13.50 16.07 29.91 92.65 49.59 -67.46 -37.92 5.78 0.03 94.18 0.44 0.43 4.67 93.78 0.64 0.01 0.01 0.01 94 R H H 90.91 11.55 14.75 26.65 95.54 45.87 -84.53 -10.02 37.24 0.18 62.58 2.08 3.38 30.85 62.19 1.28 0.06 0.06 0.11 95 G C T 50.66 3.70 15.03 19.83 100.13 -101.99 77.02 10.11 78.26 0.39 21.34 12.00 9.28 56.19 18.62 3.50 0.00 0.16 0.25 96 E C C 109.84 5.61 11.09 18.33 107.80 117.41 -85.00 87.51 78.50 1.21 20.28 43.73 15.47 19.38 12.55 7.61 0.00 0.54 0.73 97 R C C 156.34 4.01 10.88 16.74 108.51 74.15 -89.39 105.17 85.01 1.14 13.85 70.65 2.95 12.66 8.47 4.02 0.00 0.57 0.69 98 A C C 70.63 6.00 12.23 19.71 109.84 -135.76 -86.31 128.52 99.89 0.04 0.07 99.78 0.09 0.08 0.02 0.01 0.00 0.02 0.00