# 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 L C C 96.36 6.72 13.19 21.03 113.87 -142.84 -87.10 134.83 99.94 0.03 0.03 99.89 0.05 0.03 0.01 0.00 0.00 0.01 0.00 1 A C C 60.33 6.97 10.11 18.45 108.63 -112.17 -73.07 144.15 84.53 0.95 14.53 78.12 1.02 6.13 12.04 1.73 0.00 0.44 0.51 2 N C C 115.46 2.54 11.52 15.35 103.23 -139.91 -85.12 14.29 82.11 1.14 16.75 57.30 13.95 9.61 15.39 2.63 0.00 0.47 0.65 3 I C H 89.53 5.72 9.56 16.91 107.19 97.74 -85.65 84.81 58.00 1.07 40.93 32.78 19.22 6.38 38.35 2.38 0.01 0.35 0.54 4 K H H 139.64 2.06 13.38 16.07 94.63 -106.28 -64.53 -37.82 21.67 0.26 78.06 10.32 4.67 7.54 74.03 3.20 0.01 0.11 0.13 5 S H H 60.25 2.66 14.24 17.47 93.65 51.04 -66.65 -38.85 19.23 0.21 80.56 9.11 3.32 7.50 76.78 3.09 0.01 0.09 0.10 6 A H H 38.51 6.79 12.35 21.21 92.90 52.54 -65.54 -39.87 11.29 0.13 88.59 6.62 1.80 3.29 86.01 2.15 0.00 0.06 0.06 7 K H H 110.59 4.50 15.49 20.88 92.35 51.97 -64.70 -40.85 5.43 0.07 94.50 3.11 0.84 1.74 93.31 0.94 0.00 0.03 0.03 8 K H H 121.64 2.19 17.63 19.54 92.22 50.49 -65.21 -41.01 3.60 0.04 96.36 1.85 0.48 1.30 95.74 0.59 0.00 0.02 0.01 9 R H H 128.01 3.60 17.44 21.62 92.48 50.16 -65.66 -40.55 2.59 0.03 97.39 1.26 0.32 0.96 97.04 0.39 0.00 0.01 0.01 10 A H H 39.29 7.24 15.49 24.30 92.33 50.99 -64.58 -41.58 2.05 0.02 97.94 0.92 0.23 0.76 97.81 0.27 0.00 0.00 0.00 11 I H H 86.32 3.32 18.84 22.21 91.99 49.36 -64.49 -41.95 1.84 0.01 98.15 0.75 0.20 0.74 98.07 0.23 0.00 0.00 0.00 12 Q H H 94.12 3.32 19.39 22.63 92.33 49.36 -65.54 -40.96 1.86 0.01 98.13 0.69 0.20 0.78 98.12 0.19 0.00 0.00 0.00 13 S H H 39.75 7.14 16.49 25.24 92.45 50.54 -65.21 -40.46 2.36 0.01 97.63 0.84 0.26 1.01 97.69 0.19 0.00 0.00 0.00 14 E H H 93.48 4.60 18.52 23.53 92.05 50.47 -65.16 -40.99 1.87 0.01 98.12 0.62 0.20 0.83 98.18 0.17 0.00 0.00 0.00 15 K H H 112.21 2.54 20.05 21.94 91.97 49.95 -64.71 -41.11 1.61 0.00 98.38 0.49 0.17 0.76 98.42 0.15 0.00 0.00 0.00 16 A H H 40.45 7.78 16.65 25.88 92.23 50.79 -64.56 -41.08 1.57 0.00 98.42 0.49 0.16 0.72 98.45 0.16 0.00 0.00 0.00 17 R H H 116.30 6.94 17.76 25.52 92.18 50.87 -64.48 -40.64 1.63 0.01 98.37 0.47 0.17 0.79 98.38 0.18 0.00 0.00 0.00 18 K H H 124.38 2.22 20.53 21.86 91.92 49.65 -64.81 -41.22 1.69 0.01 98.30 0.44 0.18 0.88 98.30 0.20 0.00 0.00 0.00 19 H H H 97.28 4.10 19.78 24.08 92.20 48.96 -65.04 -41.39 2.26 0.01 97.73 0.54 0.24 1.24 97.75 0.21 0.00 0.00 0.00 20 N H H 39.90 13.15 16.13 29.93 92.39 50.16 -65.19 -39.96 2.73 0.01 97.27 0.67 0.28 1.49 97.33 0.22 0.00 0.00 0.00 21 A H H 50.53 5.43 19.67 25.78 91.95 51.46 -63.84 -41.16 1.30 0.00 98.70 0.35 0.13 0.64 98.74 0.13 0.00 0.00 0.00 22 S H H 61.37 2.32 22.24 23.10 92.04 50.07 -64.76 -41.32 1.15 0.00 98.85 0.28 0.11 0.60 98.88 0.13 0.00 0.00 0.00 23 R H H 73.19 12.12 18.83 31.19 92.02 49.38 -65.27 -41.55 0.84 0.00 99.16 0.16 0.08 0.48 99.18 0.10 0.00 0.00 0.00 24 R H H 76.47 14.83 17.97 32.29 91.38 51.77 -62.95 -41.50 0.48 0.00 99.52 0.11 0.04 0.26 99.53 0.07 0.00 0.00 0.00 25 S H H 61.52 2.43 23.37 24.36 91.50 50.33 -64.18 -40.97 0.55 0.00 99.45 0.11 0.04 0.30 99.49 0.07 0.00 0.00 0.00 26 M H H 86.31 4.90 22.33 27.42 91.68 49.91 -64.85 -41.19 0.59 0.00 99.41 0.07 0.03 0.36 99.47 0.06 0.00 0.00 0.00 27 M H H 14.62 21.12 15.84 37.00 91.75 50.42 -64.47 -42.51 0.42 0.00 99.58 0.05 0.02 0.23 99.65 0.04 0.00 0.00 0.00 28 R H H 111.39 8.66 21.56 30.60 91.42 51.30 -62.79 -41.47 0.38 0.00 99.62 0.07 0.02 0.20 99.67 0.04 0.00 0.00 0.00 29 T H H 73.52 2.11 24.30 24.46 91.57 49.60 -64.08 -41.87 0.44 0.00 99.56 0.06 0.02 0.28 99.60 0.04 0.00 0.00 0.00 30 F H H 36.13 14.39 20.02 34.81 92.04 49.60 -64.85 -42.24 0.34 0.00 99.66 0.03 0.02 0.22 99.69 0.04 0.00 0.00 0.00 31 I H H 19.32 20.71 17.95 38.19 91.34 51.36 -62.59 -42.90 0.22 0.00 99.78 0.03 0.01 0.14 99.80 0.02 0.00 0.00 0.00 32 K H H 119.23 3.10 24.43 27.37 91.21 50.97 -63.51 -41.03 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 33 K H H 107.04 4.27 24.45 28.71 91.87 49.56 -65.11 -41.07 0.14 0.00 99.86 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 34 V H H 6.00 22.94 17.51 40.61 91.67 49.91 -64.48 -43.53 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 35 Y H H 77.51 13.54 22.13 35.09 91.44 49.91 -63.07 -42.25 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 36 A H H 54.38 2.36 24.38 25.23 91.35 50.46 -63.52 -42.46 0.18 0.00 99.82 0.01 0.01 0.12 99.83 0.04 0.00 0.00 0.00 37 A H H 16.46 10.15 17.62 30.03 91.62 50.17 -64.13 -41.51 0.35 0.00 99.65 0.04 0.02 0.22 99.63 0.10 0.00 0.00 0.00 38 I H H 25.60 18.67 13.55 31.94 92.09 50.34 -64.53 -41.92 0.74 0.00 99.26 0.07 0.04 0.53 99.04 0.31 0.00 0.00 0.00 39 E H H 135.40 2.86 18.10 21.97 90.94 52.76 -64.86 -31.94 4.07 0.00 95.93 0.11 0.15 3.71 95.72 0.32 0.00 0.00 0.00 40 A C T 78.34 1.75 16.72 17.94 91.98 53.67 -83.76 -6.51 64.67 0.01 35.32 0.35 1.29 61.43 36.33 0.59 0.00 0.00 0.01 41 G C T 50.58 4.70 14.05 20.36 95.22 -111.69 83.55 10.68 99.76 0.01 0.23 2.89 2.92 94.02 0.12 0.03 0.00 0.00 0.00 42 D C C 73.79 5.03 15.65 22.32 104.98 140.78 -90.22 94.20 99.56 0.11 0.33 98.97 0.55 0.16 0.19 0.03 0.00 0.02 0.08 43 K H H 101.22 11.83 13.51 25.93 94.23 176.73 -65.69 -36.05 4.95 0.01 95.05 1.73 0.85 2.05 94.70 0.68 0.00 0.00 0.00 44 A H H 76.27 1.57 22.21 22.05 91.85 53.78 -63.88 -41.76 2.13 0.00 97.87 0.27 0.21 1.43 97.37 0.71 0.00 0.00 0.00 45 A H H 39.50 5.83 19.91 26.87 91.83 48.30 -65.72 -40.51 0.83 0.00 99.17 0.16 0.06 0.47 98.71 0.59 0.00 0.00 0.00 46 A H H 4.84 21.87 13.00 35.17 91.45 52.03 -63.95 -42.72 0.42 0.00 99.58 0.09 0.03 0.20 99.45 0.23 0.00 0.00 0.00 47 Q H H 84.17 8.59 22.49 31.26 91.56 51.52 -63.46 -41.25 0.31 0.00 99.69 0.04 0.01 0.17 99.69 0.09 0.00 0.00 0.00 48 K H H 122.36 1.71 25.83 25.45 91.74 49.89 -64.16 -41.71 0.39 0.00 99.60 0.03 0.01 0.27 99.59 0.09 0.00 0.00 0.00 49 A H H 13.01 15.23 19.51 35.57 91.67 50.28 -64.22 -42.12 0.58 0.00 99.42 0.05 0.02 0.41 99.40 0.13 0.00 0.00 0.00 50 F H H 19.04 22.21 17.41 39.01 91.41 51.25 -62.87 -41.77 0.41 0.00 99.59 0.03 0.02 0.28 99.43 0.25 0.00 0.00 0.00 51 N H H 97.05 3.46 23.95 27.57 91.61 50.68 -64.34 -38.81 1.09 0.00 98.91 0.02 0.02 0.99 98.60 0.36 0.00 0.00 0.00 52 E H H 106.49 3.85 24.00 27.68 92.34 49.55 -68.10 -37.66 7.91 0.00 92.09 0.05 0.10 8.41 90.92 0.52 0.00 0.00 0.00 53 M H H 9.16 22.78 16.34 38.98 93.83 48.75 -75.00 -32.03 6.06 0.00 93.94 0.08 0.17 5.94 93.43 0.38 0.00 0.00 0.00 54 Q H H 59.15 16.47 19.51 34.87 91.96 63.60 -59.81 -43.92 0.46 0.00 99.54 0.06 0.02 0.26 99.44 0.22 0.00 0.00 0.00 55 P H H 76.79 2.15 25.30 25.65 91.25 50.42 -63.31 -40.77 0.21 0.00 99.79 0.02 0.01 0.14 99.63 0.20 0.00 0.00 0.00 56 I H H 42.57 11.07 22.03 33.78 91.76 49.15 -64.80 -42.38 0.08 0.00 99.92 0.01 0.00 0.05 99.81 0.13 0.00 0.00 0.00 57 V H H 5.22 24.06 16.43 40.64 91.49 49.13 -63.61 -43.07 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.03 0.00 0.00 0.00 58 D H H 68.39 7.04 22.65 30.05 91.38 50.81 -63.11 -41.52 0.25 0.00 99.75 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 59 R H H 129.97 2.28 23.88 24.79 91.93 49.39 -64.97 -41.19 0.45 0.00 99.55 0.02 0.02 0.32 99.57 0.07 0.00 0.00 0.00 60 Q H H 24.45 13.73 16.83 31.82 92.15 49.19 -65.86 -40.73 0.82 0.00 99.18 0.08 0.06 0.55 99.14 0.17 0.00 0.00 0.00 61 A H H 23.96 14.46 13.90 28.93 91.84 51.81 -63.87 -41.15 2.02 0.01 97.97 0.23 0.14 1.49 97.59 0.54 0.00 0.00 0.00 62 A H H 85.16 1.69 18.01 19.56 90.88 53.46 -65.22 -31.08 8.10 0.01 91.89 0.23 0.31 7.84 91.05 0.54 0.01 0.00 0.01 63 K C T 126.46 3.11 15.70 19.55 92.65 53.02 -85.85 -2.17 81.82 0.02 18.16 0.23 1.61 79.61 17.90 0.63 0.00 0.00 0.02 64 G C T 52.47 3.59 15.96 20.87 95.40 -111.69 79.52 13.29 99.68 0.01 0.31 0.42 3.47 95.91 0.15 0.05 0.00 0.00 0.00 65 L C S 61.40 10.73 15.71 27.49 94.85 122.15 -78.01 -29.89 99.85 0.10 0.04 3.91 94.99 1.00 0.02 0.01 0.00 0.03 0.04 66 I C S 15.82 20.66 11.11 31.43 132.58 23.04 -135.21 149.21 98.15 1.78 0.07 6.57 91.44 0.53 0.03 0.01 0.00 0.32 1.10 67 H C C 106.15 3.05 21.02 23.28 116.46 -103.58 -70.73 150.73 99.56 0.33 0.11 98.86 0.74 0.06 0.06 0.01 0.00 0.11 0.15 68 K H H 126.08 8.25 13.08 22.84 91.39 -113.87 -58.14 -38.24 17.62 0.05 82.33 1.70 2.25 13.58 77.52 4.86 0.03 0.02 0.04 69 N H H 118.07 1.05 20.08 19.02 91.73 53.43 -65.02 -38.10 13.38 0.03 86.59 1.03 1.22 10.87 82.57 4.26 0.02 0.01 0.02 70 K H H 82.88 7.38 19.06 27.19 92.35 48.68 -67.44 -39.29 4.80 0.03 95.17 1.31 0.67 2.76 91.55 3.67 0.01 0.02 0.01 71 A H H 5.98 20.67 12.43 33.44 91.53 52.70 -62.96 -42.67 1.84 0.01 98.15 0.54 0.22 0.94 97.29 1.01 0.00 0.00 0.00 72 A H H 54.33 4.49 21.27 26.06 91.53 51.48 -63.56 -41.02 1.02 0.00 98.98 0.28 0.10 0.50 98.68 0.44 0.00 0.00 0.00 73 R H H 142.96 1.66 23.45 23.14 92.03 49.53 -64.63 -41.45 0.78 0.00 99.22 0.16 0.06 0.43 99.10 0.24 0.00 0.00 0.00 74 H H H 43.68 15.20 18.49 33.62 92.10 48.80 -65.36 -41.27 0.86 0.00 99.14 0.16 0.07 0.50 99.10 0.18 0.00 0.00 0.00 75 K H H 64.41 16.46 18.44 33.94 91.35 52.01 -62.07 -42.18 1.36 0.00 98.63 0.25 0.12 0.80 98.65 0.17 0.00 0.00 0.00 76 A H H 63.03 2.20 23.82 24.35 91.53 50.41 -63.83 -41.11 1.62 0.00 98.38 0.29 0.12 0.94 98.51 0.14 0.00 0.00 0.00 77 N H H 80.79 4.43 22.87 27.27 91.85 49.33 -65.27 -40.58 1.83 0.00 98.17 0.28 0.11 1.18 98.28 0.16 0.00 0.00 0.00 78 L H H 10.74 21.22 15.69 37.09 91.84 50.71 -64.33 -42.55 0.86 0.00 99.14 0.19 0.06 0.44 99.14 0.17 0.00 0.00 0.00 79 T H H 55.30 9.25 20.80 30.55 91.57 51.00 -63.12 -41.97 0.53 0.00 99.47 0.11 0.03 0.26 99.48 0.11 0.00 0.00 0.00 80 A H H 57.31 1.97 22.53 22.65 91.51 50.59 -63.51 -42.11 0.40 0.00 99.60 0.06 0.02 0.22 99.59 0.11 0.00 0.00 0.00 81 Q H H 63.20 8.97 18.94 28.85 92.17 49.36 -65.53 -40.76 0.54 0.00 99.46 0.07 0.03 0.32 99.39 0.18 0.00 0.00 0.00 82 I H H 21.92 18.49 13.08 31.63 91.87 50.82 -64.16 -41.88 0.81 0.00 99.18 0.11 0.06 0.53 98.87 0.44 0.00 0.00 0.00 83 N H H 106.59 2.63 17.56 20.85 91.72 51.29 -64.47 -36.98 3.72 0.00 96.27 0.33 0.21 2.86 95.26 1.34 0.00 0.00 0.00 84 K H H 145.91 1.55 16.39 17.65 92.18 52.25 -68.24 -30.74 18.72 0.01 81.26 1.04 0.77 16.29 80.21 1.68 0.00 0.00 0.01 85 L H H 66.94 11.14 10.89 22.66 95.34 54.61 -79.50 -17.89 39.28 0.09 60.63 12.06 1.06 24.24 61.18 1.36 0.00 0.02 0.07 86 A C C 63.47 8.19 13.59 22.76 104.09 94.84 -71.23 38.06 99.88 0.01 0.11 99.65 0.09 0.15 0.10 0.00 0.00 0.00 0.00