# 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 N C C 97.15 4.49 14.07 19.67 106.68 -154.32 -90.32 97.48 99.90 0.03 0.07 99.83 0.06 0.04 0.04 0.00 0.00 0.01 0.01 1 I H H 90.99 6.41 10.12 17.97 100.02 153.08 -76.04 -25.80 43.19 0.24 56.56 39.07 0.95 3.34 55.41 1.03 0.00 0.08 0.11 2 K H H 137.30 1.84 12.84 15.23 94.10 66.50 -65.34 -39.24 15.50 0.09 84.40 8.90 2.03 4.38 83.07 1.54 0.00 0.04 0.04 3 S H H 60.95 2.33 13.90 16.70 92.99 51.30 -65.62 -39.64 9.43 0.06 90.51 5.02 1.30 3.11 88.80 1.71 0.00 0.03 0.03 4 A H H 43.41 5.48 12.44 19.85 92.60 51.83 -65.12 -40.29 4.51 0.03 95.47 2.34 0.64 1.52 94.29 1.18 0.00 0.01 0.01 5 K H H 111.64 3.86 15.36 20.04 92.31 51.43 -65.08 -40.80 2.96 0.02 97.02 1.45 0.40 1.07 96.48 0.58 0.00 0.01 0.01 6 K H H 120.75 2.03 17.03 18.72 92.34 50.22 -65.10 -40.97 2.25 0.01 97.74 1.01 0.28 0.86 97.52 0.33 0.00 0.01 0.01 7 R H H 131.48 3.04 17.13 20.58 92.16 49.95 -65.39 -40.51 1.73 0.01 98.26 0.71 0.19 0.68 98.19 0.22 0.00 0.00 0.00 8 A H H 42.76 6.29 15.57 23.27 92.26 50.82 -64.48 -41.46 1.61 0.01 98.39 0.61 0.16 0.65 98.38 0.19 0.00 0.00 0.00 9 I H H 86.88 3.17 18.44 21.66 91.96 49.35 -64.72 -41.93 1.53 0.01 98.46 0.54 0.16 0.65 98.48 0.17 0.00 0.00 0.00 10 Q H H 94.81 3.19 19.12 22.23 92.37 49.38 -65.30 -40.97 1.64 0.00 98.36 0.54 0.17 0.71 98.43 0.15 0.00 0.00 0.00 11 S H H 41.72 6.62 16.48 24.65 92.35 50.52 -65.17 -40.56 2.16 0.01 97.83 0.71 0.23 0.95 97.95 0.16 0.00 0.00 0.00 12 E H H 94.59 4.29 18.42 23.07 91.77 50.35 -65.23 -40.86 1.62 0.00 98.38 0.50 0.17 0.73 98.46 0.14 0.00 0.00 0.00 13 K H H 112.11 2.56 19.89 21.85 92.07 49.97 -64.68 -41.10 1.36 0.00 98.64 0.39 0.14 0.65 98.69 0.13 0.00 0.00 0.00 14 A H H 40.70 7.56 16.62 25.67 92.15 50.71 -64.57 -41.20 1.33 0.00 98.67 0.38 0.13 0.64 98.71 0.14 0.00 0.00 0.00 15 R H H 117.57 6.63 17.82 25.22 92.13 50.70 -64.55 -40.89 1.38 0.00 98.62 0.37 0.14 0.68 98.65 0.15 0.00 0.00 0.00 16 K H H 124.05 2.21 20.46 21.76 91.96 49.58 -64.84 -41.18 1.44 0.00 98.56 0.33 0.14 0.77 98.58 0.17 0.00 0.00 0.00 17 H H H 96.99 4.11 19.77 24.09 92.27 49.03 -65.05 -41.39 1.97 0.00 98.03 0.42 0.20 1.11 98.08 0.18 0.00 0.00 0.00 18 N H H 40.74 12.96 16.24 29.87 92.33 50.19 -65.25 -40.16 2.52 0.00 97.48 0.55 0.24 1.44 97.57 0.20 0.00 0.00 0.00 19 A H H 50.61 5.33 19.70 25.66 91.89 51.43 -63.95 -41.17 1.28 0.00 98.71 0.32 0.13 0.65 98.76 0.13 0.00 0.00 0.00 20 S H H 61.38 2.31 22.22 23.07 92.02 50.11 -64.80 -41.25 1.17 0.00 98.82 0.27 0.11 0.63 98.86 0.13 0.00 0.00 0.00 21 R H H 73.82 12.06 18.87 31.17 91.95 49.43 -65.16 -41.59 0.88 0.00 99.12 0.16 0.08 0.50 99.15 0.11 0.00 0.00 0.00 22 R H H 76.15 14.87 17.98 32.33 91.41 51.69 -63.01 -41.45 0.52 0.00 99.47 0.11 0.04 0.28 99.49 0.07 0.00 0.00 0.00 23 S H H 61.67 2.43 23.36 24.33 91.46 50.45 -64.17 -40.91 0.59 0.00 99.41 0.11 0.04 0.33 99.45 0.07 0.00 0.00 0.00 24 M H H 87.04 4.82 22.36 27.34 91.67 49.98 -64.87 -41.11 0.69 0.00 99.31 0.07 0.04 0.44 99.37 0.07 0.00 0.00 0.00 25 M H H 14.52 21.20 15.81 37.02 91.72 50.46 -64.46 -42.40 0.51 0.00 99.49 0.07 0.03 0.29 99.56 0.05 0.00 0.00 0.00 26 R H H 110.98 8.71 21.51 30.59 91.40 51.34 -62.65 -41.58 0.46 0.00 99.54 0.09 0.03 0.25 99.59 0.05 0.00 0.00 0.00 27 T H H 73.96 2.08 24.33 24.41 91.62 49.65 -64.08 -41.85 0.53 0.00 99.47 0.07 0.03 0.33 99.52 0.05 0.00 0.00 0.00 28 F H H 36.34 14.43 20.02 34.82 92.09 49.60 -65.00 -42.19 0.37 0.00 99.63 0.04 0.02 0.24 99.66 0.05 0.00 0.00 0.00 29 I H H 19.09 20.81 17.92 38.24 91.39 51.42 -62.68 -42.89 0.22 0.00 99.78 0.02 0.01 0.13 99.81 0.02 0.00 0.00 0.00 30 K H H 119.76 3.06 24.45 27.35 91.23 51.02 -63.49 -40.96 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 31 K H H 106.57 4.33 24.46 28.77 91.86 49.50 -65.09 -41.11 0.14 0.00 99.86 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 32 V H H 5.77 23.11 17.48 40.77 91.64 49.96 -64.44 -43.51 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 33 Y H H 78.75 13.43 22.21 35.05 91.42 49.98 -62.98 -42.30 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 34 A H H 54.15 2.36 24.36 25.20 91.35 50.36 -63.52 -42.43 0.19 0.00 99.81 0.01 0.01 0.13 99.81 0.04 0.00 0.00 0.00 35 A H H 16.41 10.26 17.63 30.12 91.62 50.10 -64.19 -41.57 0.36 0.00 99.64 0.03 0.02 0.22 99.61 0.11 0.00 0.00 0.00 36 I H H 26.06 18.69 13.65 32.02 92.11 50.46 -64.54 -41.94 0.75 0.00 99.25 0.07 0.04 0.55 99.00 0.34 0.00 0.00 0.00 37 E H H 135.76 2.78 18.23 21.96 90.87 52.35 -64.91 -32.63 3.95 0.00 96.04 0.11 0.15 3.58 95.83 0.33 0.00 0.00 0.00 38 A C T 77.93 1.76 16.81 17.99 91.89 52.61 -83.72 -6.94 59.81 0.01 40.18 0.40 1.38 56.39 41.21 0.62 0.00 0.00 0.01 39 G C T 50.06 4.99 13.85 20.53 94.93 -112.87 82.47 10.96 99.76 0.01 0.23 4.20 3.25 92.38 0.12 0.04 0.00 0.00 0.00 40 D C C 74.11 4.94 15.82 22.37 105.31 141.77 -88.86 96.47 99.57 0.10 0.33 98.92 0.60 0.15 0.19 0.03 0.00 0.02 0.08 41 K H H 102.96 11.63 13.59 25.87 94.26 -174.05 -65.53 -35.77 5.21 0.01 94.79 1.77 0.90 2.18 94.42 0.72 0.00 0.00 0.00 42 A H H 76.38 1.55 22.15 21.94 91.86 53.98 -63.93 -41.66 2.31 0.00 97.69 0.29 0.24 1.56 97.15 0.76 0.00 0.00 0.00 43 A H H 38.60 5.98 19.76 26.94 91.81 48.17 -65.75 -40.52 0.91 0.00 99.09 0.18 0.07 0.52 98.59 0.63 0.00 0.00 0.00 44 A H H 4.81 21.93 12.95 35.16 91.47 52.06 -63.79 -42.75 0.48 0.00 99.52 0.10 0.04 0.23 99.38 0.25 0.00 0.00 0.00 45 Q H H 84.86 8.44 22.52 31.17 91.54 51.52 -63.49 -41.30 0.34 0.00 99.66 0.05 0.02 0.19 99.65 0.10 0.00 0.00 0.00 46 K H H 122.27 1.72 25.82 25.44 91.73 49.87 -64.18 -41.78 0.44 0.00 99.56 0.04 0.02 0.30 99.55 0.10 0.00 0.00 0.00 47 A H H 12.73 15.36 19.46 35.64 91.68 50.06 -64.27 -42.15 0.60 0.00 99.40 0.05 0.02 0.42 99.38 0.13 0.00 0.00 0.00 48 F H H 18.67 22.30 17.36 39.04 91.38 51.27 -62.88 -41.86 0.40 0.00 99.60 0.03 0.02 0.27 99.43 0.25 0.00 0.00 0.00 49 N H H 97.57 3.44 23.89 27.47 91.62 50.72 -64.45 -38.74 1.05 0.00 98.95 0.02 0.02 0.96 98.62 0.37 0.00 0.00 0.00 50 E H H 106.90 3.88 23.92 27.67 92.31 49.54 -68.24 -36.56 7.78 0.00 92.22 0.05 0.09 8.28 91.05 0.52 0.00 0.00 0.00 51 M H H 9.08 22.86 16.17 38.93 94.08 47.93 -76.18 -30.98 6.78 0.00 93.21 0.09 0.19 6.67 92.65 0.40 0.00 0.00 0.00 52 Q H H 59.48 16.56 19.35 34.80 92.02 65.56 -59.69 -43.87 0.51 0.00 99.49 0.06 0.03 0.29 99.38 0.24 0.00 0.00 0.00 53 P H H 77.17 2.13 25.32 25.64 91.28 50.50 -63.23 -40.75 0.23 0.00 99.77 0.02 0.01 0.16 99.59 0.22 0.00 0.00 0.00 54 I H H 42.11 11.24 22.05 33.93 91.75 49.19 -64.81 -42.28 0.08 0.00 99.92 0.01 0.00 0.05 99.80 0.14 0.00 0.00 0.00 55 V H H 4.99 24.19 16.44 40.80 91.53 49.09 -63.81 -43.10 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.03 0.00 0.00 0.00 56 D H H 68.43 7.01 22.78 30.14 91.38 50.87 -63.06 -41.62 0.24 0.00 99.76 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 57 R H H 128.77 2.34 23.93 24.97 91.91 49.37 -64.93 -41.27 0.38 0.00 99.62 0.02 0.01 0.27 99.63 0.06 0.00 0.00 0.00 58 Q H H 23.50 13.99 16.84 32.04 92.16 49.17 -65.83 -40.82 0.68 0.00 99.32 0.07 0.05 0.45 99.29 0.15 0.00 0.00 0.00 59 A H H 24.12 14.48 14.02 29.05 91.86 51.68 -63.87 -41.22 1.71 0.00 98.28 0.18 0.11 1.28 97.93 0.50 0.00 0.00 0.00 60 A H H 85.10 1.69 18.09 19.64 90.90 53.32 -65.14 -31.21 7.28 0.01 92.71 0.19 0.26 7.12 91.91 0.50 0.01 0.00 0.00 61 K C T 125.83 3.17 15.73 19.66 92.66 52.86 -85.91 -2.39 80.99 0.02 19.00 0.21 1.47 78.88 18.82 0.60 0.00 0.00 0.02 62 G C T 52.52 3.63 15.99 20.95 95.18 -112.09 79.15 14.28 99.72 0.01 0.27 0.39 3.11 96.33 0.12 0.04 0.00 0.00 0.00 63 L C S 60.86 10.85 15.75 27.64 94.81 122.70 -77.89 -30.00 99.87 0.09 0.04 3.76 95.14 1.01 0.02 0.01 0.00 0.03 0.04 64 I C S 15.39 20.72 11.14 31.56 132.55 23.13 -135.38 149.70 98.37 1.57 0.07 5.97 92.25 0.51 0.03 0.01 0.00 0.28 0.95 65 H C C 105.49 3.11 20.98 23.33 116.39 -103.25 -70.25 151.15 99.66 0.26 0.09 99.02 0.66 0.05 0.05 0.01 0.00 0.09 0.12 66 K H H 127.12 8.02 13.17 22.76 91.41 -113.43 -58.03 -38.35 15.61 0.04 84.35 1.34 1.92 12.17 80.14 4.37 0.03 0.01 0.03 67 N H H 117.93 1.05 20.17 19.10 91.69 53.12 -64.86 -38.39 11.88 0.02 88.09 0.84 1.03 9.75 84.44 3.88 0.02 0.01 0.01 68 K H H 81.48 7.62 19.12 27.47 92.33 48.51 -67.45 -39.41 4.17 0.03 95.81 1.09 0.57 2.41 92.70 3.21 0.00 0.01 0.01 69 A H H 5.73 20.90 12.50 33.72 91.37 52.68 -62.84 -42.73 1.45 0.01 98.54 0.40 0.16 0.73 97.90 0.80 0.00 0.00 0.00 70 A H H 54.25 4.50 21.46 26.23 91.51 51.34 -63.48 -41.00 0.90 0.00 99.10 0.21 0.08 0.46 98.87 0.38 0.00 0.00 0.00 71 R H H 142.32 1.70 23.60 23.40 92.02 49.56 -64.61 -41.49 0.70 0.00 99.30 0.13 0.05 0.39 99.21 0.21 0.00 0.00 0.00 72 H H H 41.10 15.63 18.52 34.04 92.14 48.70 -65.25 -41.32 0.81 0.00 99.19 0.14 0.06 0.47 99.16 0.16 0.00 0.00 0.00 73 K H H 64.43 16.59 18.60 34.17 91.37 52.06 -62.10 -42.24 1.36 0.00 98.64 0.23 0.11 0.81 98.67 0.17 0.00 0.00 0.00 74 A H H 63.18 2.18 23.97 24.44 91.52 50.41 -63.88 -41.07 1.72 0.00 98.28 0.28 0.12 1.05 98.41 0.15 0.00 0.00 0.00 75 N H H 79.84 4.63 22.94 27.59 91.85 49.26 -65.45 -40.59 2.21 0.00 97.79 0.29 0.13 1.50 97.89 0.19 0.00 0.00 0.00 76 L H H 9.52 21.71 15.60 37.48 91.79 50.70 -64.23 -42.50 0.98 0.00 99.02 0.20 0.07 0.51 99.00 0.21 0.00 0.00 0.00 77 T H H 55.61 9.25 20.91 30.63 91.53 51.20 -63.12 -42.03 0.58 0.00 99.41 0.12 0.04 0.29 99.41 0.14 0.00 0.00 0.00 78 A H H 57.39 1.97 22.57 22.69 91.51 50.61 -63.47 -42.15 0.46 0.00 99.54 0.07 0.03 0.26 99.50 0.14 0.00 0.00 0.00 79 Q H H 62.31 9.26 18.90 29.08 92.16 49.30 -65.64 -40.73 0.63 0.00 99.37 0.09 0.04 0.38 99.25 0.24 0.00 0.00 0.00 80 I H H 22.15 18.56 13.11 31.70 91.89 50.65 -64.10 -41.81 0.91 0.00 99.09 0.12 0.07 0.59 98.67 0.56 0.00 0.00 0.00 81 N H H 106.93 2.58 17.63 20.83 91.70 51.30 -64.56 -36.96 4.18 0.00 95.82 0.36 0.23 3.23 94.54 1.63 0.00 0.00 0.00 82 K H H 144.78 1.62 16.36 17.79 92.23 52.39 -68.33 -30.56 20.18 0.02 79.81 1.18 0.82 17.48 78.56 1.93 0.00 0.01 0.01 83 L H H 65.70 11.43 10.79 22.77 95.34 55.07 -79.72 -17.11 40.63 0.09 59.27 13.21 1.11 24.40 59.68 1.50 0.00 0.03 0.08 84 A C C 64.45 7.89 13.75 22.68 104.38 96.40 -71.68 45.00 99.90 0.01 0.09 99.70 0.08 0.14 0.08 0.00 0.00 0.00 0.00