# 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 M C C 103.11 6.89 14.35 22.33 116.88 -136.26 -92.11 139.05 99.96 0.02 0.01 99.91 0.05 0.03 0.00 0.00 0.00 0.01 0.00 1 A C C 50.22 9.84 9.56 20.33 111.95 -110.42 -70.25 140.54 95.14 0.94 3.92 89.70 0.81 5.47 2.17 0.88 0.00 0.42 0.55 2 N C C 123.41 2.12 12.40 15.49 99.55 -162.49 -90.08 -7.77 95.05 0.76 4.19 62.52 22.36 10.18 2.49 1.55 0.00 0.28 0.63 3 S C S 53.55 3.68 11.51 16.74 122.15 76.67 -100.93 158.53 92.53 0.76 6.71 31.56 58.27 2.30 6.49 0.60 0.00 0.15 0.63 4 A H H 80.24 2.17 12.06 15.34 92.61 -113.92 -60.64 -37.26 10.14 0.05 89.82 2.62 2.35 5.22 88.03 1.73 0.01 0.01 0.03 5 Q H H 116.36 1.70 14.19 15.93 92.13 52.26 -65.56 -39.38 7.96 0.05 92.00 1.97 1.16 4.72 90.00 2.09 0.01 0.02 0.03 6 A H H 31.89 6.65 11.91 20.94 92.37 51.29 -65.04 -40.40 3.64 0.03 96.33 1.65 0.53 1.56 94.48 1.74 0.00 0.01 0.01 7 K H H 105.52 4.43 15.10 20.65 92.08 51.81 -63.57 -41.33 1.69 0.01 98.30 0.74 0.22 0.66 97.90 0.48 0.00 0.00 0.00 8 K H H 118.22 2.06 17.79 19.30 92.16 50.23 -64.90 -41.44 1.31 0.01 98.69 0.46 0.14 0.56 98.62 0.22 0.00 0.00 0.00 9 R H H 124.18 3.60 17.61 21.76 92.27 49.87 -65.39 -40.85 1.09 0.00 98.90 0.34 0.10 0.48 98.91 0.16 0.00 0.00 0.00 10 A H H 37.16 7.82 15.17 24.65 92.23 51.23 -64.47 -41.20 1.07 0.00 98.92 0.30 0.09 0.48 98.99 0.13 0.00 0.00 0.00 11 R H H 132.49 2.74 19.26 21.79 92.05 50.05 -64.52 -41.02 1.20 0.00 98.80 0.31 0.10 0.57 98.88 0.14 0.00 0.00 0.00 12 Q H H 92.26 3.40 18.97 22.38 92.37 49.72 -65.48 -40.71 1.33 0.00 98.66 0.33 0.12 0.66 98.77 0.13 0.00 0.00 0.00 13 N H H 61.87 7.79 16.83 25.87 92.51 50.22 -65.45 -40.11 2.02 0.00 97.97 0.56 0.19 0.97 98.13 0.16 0.00 0.00 0.00 14 V H H 68.49 4.85 18.36 23.93 91.96 50.60 -64.86 -41.61 1.65 0.00 98.35 0.47 0.16 0.76 98.46 0.14 0.00 0.00 0.00 15 K H H 112.27 2.41 20.87 22.31 91.88 49.61 -64.33 -41.52 1.32 0.00 98.67 0.37 0.13 0.62 98.76 0.13 0.00 0.00 0.00 16 A H H 35.39 9.00 16.73 27.19 92.17 50.68 -64.35 -41.24 1.33 0.00 98.67 0.35 0.12 0.64 98.74 0.15 0.00 0.00 0.00 17 R H H 111.52 8.16 18.09 26.96 92.02 51.18 -64.52 -40.54 1.33 0.00 98.67 0.32 0.12 0.68 98.71 0.17 0.00 0.00 0.00 18 K H H 126.83 2.16 21.36 22.52 91.85 49.68 -64.78 -41.45 1.45 0.00 98.54 0.30 0.13 0.81 98.57 0.18 0.00 0.00 0.00 19 H H H 95.42 4.72 20.43 25.44 92.15 48.99 -65.14 -41.47 2.29 0.00 97.71 0.41 0.21 1.40 97.76 0.21 0.00 0.00 0.00 20 N H H 33.31 15.57 16.18 31.85 92.51 50.11 -65.65 -40.07 3.09 0.00 96.90 0.60 0.29 1.87 97.01 0.23 0.00 0.00 0.00 21 A H H 50.36 5.93 20.41 26.95 91.82 52.19 -63.70 -41.32 1.15 0.00 98.85 0.30 0.12 0.57 98.87 0.13 0.00 0.00 0.00 22 S H H 61.50 2.30 23.23 23.93 91.90 50.05 -64.55 -41.32 1.02 0.00 98.97 0.24 0.09 0.55 98.97 0.14 0.00 0.00 0.00 23 L H H 35.96 14.49 18.89 33.58 91.78 49.32 -64.86 -42.25 0.86 0.00 99.14 0.17 0.08 0.51 99.12 0.12 0.00 0.00 0.00 24 R H H 71.01 16.27 18.47 33.87 91.35 52.08 -62.44 -41.76 0.56 0.00 99.44 0.15 0.05 0.29 99.44 0.07 0.00 0.00 0.00 25 S H H 62.13 2.42 24.07 25.00 91.37 50.40 -63.92 -40.66 0.56 0.00 99.44 0.12 0.04 0.30 99.48 0.06 0.00 0.00 0.00 26 M H H 82.72 5.71 22.95 28.91 91.57 49.89 -64.89 -41.38 0.50 0.00 99.50 0.06 0.03 0.31 99.56 0.05 0.00 0.00 0.00 27 V H H 6.69 23.24 16.08 39.46 91.66 50.23 -64.17 -42.94 0.32 0.00 99.68 0.04 0.02 0.17 99.74 0.03 0.00 0.00 0.00 28 R H H 106.82 9.71 22.04 31.88 91.29 51.56 -62.48 -41.64 0.22 0.00 99.78 0.03 0.01 0.10 99.83 0.02 0.00 0.00 0.00 29 T H H 72.65 2.17 24.83 25.11 91.64 49.70 -64.10 -42.19 0.20 0.00 99.80 0.02 0.01 0.11 99.83 0.02 0.00 0.00 0.00 30 Y H H 37.97 15.09 20.53 35.79 91.98 49.32 -64.96 -42.20 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 31 I H H 14.11 22.11 18.05 39.75 91.44 51.26 -62.83 -43.07 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 32 K H H 119.72 3.24 24.78 28.01 91.22 50.80 -63.35 -40.99 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 33 R H H 121.96 4.24 24.97 29.22 91.71 49.48 -65.22 -40.96 0.15 0.00 99.85 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 34 T H H 4.25 23.79 17.55 41.55 91.61 50.13 -64.32 -43.35 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 35 L H H 51.64 14.24 22.22 35.87 91.39 50.30 -63.02 -42.31 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 36 S H H 61.47 2.06 25.48 25.60 91.65 50.18 -63.88 -41.86 0.26 0.00 99.74 0.01 0.01 0.19 99.73 0.06 0.00 0.00 0.00 37 A H H 15.96 10.77 17.75 30.59 91.59 50.35 -63.99 -41.36 0.55 0.00 99.45 0.05 0.03 0.35 99.41 0.15 0.00 0.00 0.00 38 I H H 24.07 19.67 13.61 32.81 92.12 50.08 -64.68 -41.85 1.19 0.00 98.81 0.13 0.08 0.85 98.42 0.51 0.00 0.00 0.00 39 A H H 81.52 3.06 18.23 22.27 91.18 53.04 -65.05 -31.12 5.75 0.00 94.24 0.17 0.23 5.26 93.81 0.52 0.00 0.00 0.00 40 G C T 54.02 1.41 17.69 17.94 92.22 51.45 -85.29 -4.99 68.86 0.01 31.13 0.43 1.49 65.50 31.84 0.72 0.00 0.00 0.01 41 G C T 47.83 6.13 13.59 21.33 94.76 -111.85 80.49 11.94 99.82 0.01 0.17 3.64 3.45 92.78 0.08 0.03 0.00 0.00 0.00 42 D C C 73.80 4.75 16.73 22.91 104.39 141.67 -90.69 94.34 99.62 0.12 0.25 99.07 0.51 0.14 0.13 0.03 0.00 0.03 0.09 43 Y H H 100.26 14.16 13.09 27.20 94.38 176.07 -66.43 -36.32 5.24 0.01 94.76 1.94 0.93 2.12 94.41 0.59 0.00 0.00 0.00 44 A H H 79.24 1.53 22.61 22.52 91.68 54.40 -63.78 -41.77 2.33 0.00 97.67 0.25 0.24 1.69 97.20 0.61 0.00 0.00 0.00 45 V H H 65.25 5.40 21.19 27.05 92.01 47.03 -66.23 -40.38 1.02 0.00 98.98 0.17 0.08 0.67 98.58 0.51 0.00 0.00 0.00 46 A H H 4.09 22.51 13.30 36.16 91.48 51.92 -63.61 -43.15 0.46 0.00 99.54 0.10 0.04 0.22 99.44 0.20 0.00 0.00 0.00 47 T H H 55.85 9.81 22.71 32.55 91.64 51.33 -63.45 -42.00 0.31 0.00 99.69 0.04 0.01 0.17 99.69 0.09 0.00 0.00 0.00 48 E H H 106.76 2.00 26.52 26.55 91.49 49.86 -63.80 -42.09 0.27 0.00 99.73 0.02 0.01 0.18 99.71 0.08 0.00 0.00 0.00 49 A H H 11.81 15.85 19.93 36.53 91.61 50.37 -64.06 -42.42 0.35 0.00 99.65 0.02 0.01 0.24 99.63 0.09 0.00 0.00 0.00 50 Y H H 18.31 23.17 18.11 40.65 91.49 51.33 -62.89 -41.76 0.26 0.00 99.74 0.01 0.01 0.18 99.64 0.16 0.00 0.00 0.00 51 K H H 125.36 3.88 24.67 29.22 91.61 51.12 -64.52 -39.40 0.67 0.00 99.33 0.01 0.01 0.60 99.16 0.21 0.00 0.00 0.00 52 K H H 113.48 4.09 25.28 29.43 92.49 48.71 -68.68 -36.30 5.92 0.00 94.08 0.03 0.07 6.30 93.20 0.39 0.00 0.00 0.00 53 A H H 3.56 23.77 17.26 41.13 93.04 49.79 -70.98 -36.44 4.29 0.00 95.71 0.05 0.12 4.21 95.39 0.24 0.00 0.00 0.00 54 V H H 34.02 17.77 20.83 37.59 91.97 58.97 -61.35 -43.85 0.39 0.00 99.61 0.05 0.02 0.21 99.57 0.15 0.00 0.00 0.00 55 P H H 73.26 2.52 26.21 27.42 91.13 50.63 -62.93 -41.18 0.16 0.00 99.84 0.02 0.01 0.11 99.73 0.14 0.00 0.00 0.00 56 V H H 34.49 11.85 22.78 35.17 91.71 49.25 -64.73 -42.40 0.06 0.00 99.94 0.01 0.00 0.04 99.84 0.11 0.00 0.00 0.00 57 I H H 4.33 25.13 17.43 42.76 91.31 49.43 -63.93 -43.20 0.04 0.00 99.96 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 58 D H H 63.22 8.42 22.97 31.69 91.27 51.00 -62.83 -41.64 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 59 R H H 124.89 2.59 24.36 25.81 91.87 49.73 -64.81 -41.35 0.37 0.00 99.63 0.01 0.01 0.29 99.63 0.06 0.00 0.00 0.00 60 M H H 20.06 14.53 17.09 32.88 92.17 49.72 -65.51 -41.27 0.73 0.00 99.27 0.06 0.05 0.52 99.20 0.17 0.00 0.00 0.00 61 A H H 22.77 15.01 14.25 29.70 91.86 51.70 -63.72 -41.18 2.14 0.01 97.86 0.21 0.13 1.68 97.35 0.63 0.00 0.00 0.00 62 D H H 115.14 1.45 18.53 19.50 91.09 52.53 -65.48 -30.04 8.26 0.01 91.73 0.21 0.27 8.18 90.71 0.61 0.01 0.00 0.00 63 K C T 122.68 3.55 15.62 20.09 92.76 53.04 -85.47 -2.30 79.55 0.02 20.43 0.26 1.73 77.25 19.97 0.76 0.00 0.00 0.02 64 G C T 52.20 3.60 16.50 21.29 95.00 -111.61 78.90 13.40 99.75 0.01 0.24 0.53 4.43 94.87 0.12 0.04 0.00 0.00 0.00 65 I C S 56.53 11.87 15.96 28.70 95.44 121.91 -77.95 -30.72 99.85 0.12 0.03 4.23 94.98 0.69 0.01 0.01 0.00 0.03 0.04 66 I C S 14.07 21.25 11.25 32.21 132.29 22.08 -136.31 147.98 98.16 1.78 0.05 7.63 90.63 0.37 0.02 0.01 0.00 0.34 1.01 67 H C C 105.41 3.21 21.17 23.65 116.50 -104.35 -70.77 150.89 99.57 0.36 0.07 99.10 0.52 0.04 0.05 0.01 0.00 0.12 0.16 68 K H H 125.93 8.26 13.30 23.07 91.58 -112.80 -57.98 -38.00 18.12 0.05 81.83 1.43 2.03 14.36 75.75 6.33 0.04 0.02 0.04 69 N H H 117.62 1.07 20.23 19.20 91.66 53.26 -64.71 -38.19 14.79 0.03 85.18 0.98 1.24 12.18 79.49 6.04 0.03 0.02 0.02 70 K H H 80.52 8.02 19.09 27.81 92.49 48.34 -67.50 -38.77 5.82 0.05 94.13 1.63 0.84 3.30 88.93 5.24 0.01 0.02 0.02 71 A H H 5.79 21.19 12.51 33.94 91.38 52.98 -62.81 -42.59 2.31 0.01 97.68 0.74 0.28 1.14 96.53 1.30 0.00 0.01 0.00 72 A H H 55.06 4.34 21.68 26.18 91.48 51.26 -63.42 -41.09 1.42 0.00 98.58 0.42 0.15 0.69 98.10 0.65 0.00 0.00 0.00 73 R H H 138.59 1.81 23.61 23.59 91.90 49.62 -64.61 -41.46 1.17 0.00 98.82 0.29 0.11 0.62 98.60 0.38 0.00 0.00 0.00 74 H H H 35.75 16.17 18.32 34.42 92.10 48.96 -65.29 -41.35 1.13 0.00 98.87 0.24 0.10 0.62 98.79 0.25 0.00 0.00 0.00 75 K H H 63.55 16.56 18.56 34.15 91.41 52.58 -61.83 -42.34 1.44 0.00 98.56 0.31 0.13 0.77 98.59 0.19 0.00 0.00 0.00 76 S H H 66.31 1.95 24.19 24.20 91.53 50.23 -64.11 -41.10 1.91 0.00 98.09 0.39 0.14 1.06 98.24 0.17 0.00 0.00 0.00 77 R H H 113.49 4.88 22.85 27.86 91.68 49.30 -65.05 -41.11 1.48 0.00 98.52 0.28 0.11 0.86 98.57 0.18 0.00 0.00 0.00 78 L H H 8.96 22.07 15.55 37.78 91.68 50.47 -64.14 -42.59 0.84 0.00 99.16 0.19 0.07 0.43 99.14 0.17 0.00 0.00 0.00 79 N H H 67.04 9.54 21.37 31.19 91.55 51.12 -62.94 -41.51 0.69 0.00 99.31 0.16 0.04 0.33 99.36 0.10 0.00 0.00 0.00 80 A H H 58.77 2.13 23.28 23.64 91.63 50.45 -64.11 -41.86 0.38 0.00 99.62 0.05 0.02 0.21 99.64 0.07 0.00 0.00 0.00 81 Q H H 64.45 9.91 20.11 30.56 92.10 49.29 -65.84 -41.06 0.38 0.00 99.61 0.05 0.02 0.23 99.60 0.10 0.00 0.00 0.00 82 V H H 17.87 18.74 14.76 33.77 91.98 50.24 -64.24 -42.47 0.53 0.00 99.47 0.08 0.04 0.33 99.39 0.17 0.00 0.00 0.00 83 K H H 120.30 3.11 19.96 23.28 91.74 50.76 -63.39 -40.53 1.14 0.00 98.86 0.18 0.10 0.71 98.54 0.46 0.00 0.00 0.00 84 A H H 62.21 2.57 17.76 20.21 92.16 51.02 -65.33 -38.31 5.00 0.00 94.99 0.46 0.31 3.80 94.40 1.02 0.00 0.00 0.00 85 L H H 60.41 11.81 12.74 25.22 93.00 51.94 -69.72 -30.87 13.19 0.02 86.79 1.29 0.98 10.02 86.60 1.08 0.00 0.00 0.01 86 A H H 60.38 8.19 11.66 20.91 95.45 57.02 -76.70 -17.57 44.78 0.16 55.06 16.99 1.34 24.03 56.44 1.03 0.00 0.05 0.13 87 N C C 119.44 2.13 14.49 17.31 102.94 80.76 -80.49 44.44 99.96 0.01 0.03 99.77 0.08 0.12 0.02 0.00 0.00 0.00 0.00