# 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 105.70 7.83 12.27 21.16 115.04 -139.32 -90.02 131.42 99.97 0.02 0.01 99.93 0.04 0.02 0.00 0.00 0.00 0.01 0.00 1 A C C 69.46 5.25 11.32 18.24 113.25 -116.92 -75.75 143.75 94.99 1.37 3.64 93.52 0.50 2.14 2.00 0.65 0.00 0.76 0.43 2 R C C 162.58 3.42 11.44 16.65 113.14 -131.69 -88.94 131.33 87.77 6.50 5.73 75.29 8.29 4.07 3.90 1.87 0.00 3.83 2.75 3 V C C 72.91 10.10 9.32 20.16 116.97 -150.12 -99.51 131.67 86.12 6.49 7.39 75.11 8.01 2.87 6.01 1.77 0.00 4.24 1.99 4 K C C 134.28 3.57 14.32 19.40 114.25 -143.01 -92.43 132.19 85.06 4.47 10.46 72.73 7.99 3.71 9.66 1.76 0.00 2.97 1.19 5 R C C 131.54 8.08 12.32 21.40 109.00 -140.40 -84.84 129.28 72.89 2.09 25.02 53.94 10.46 6.38 25.52 1.93 0.00 1.08 0.67 6 G H H 32.62 7.90 13.33 22.26 110.36 41.68 -48.89 -145.36 47.99 0.73 51.28 31.49 9.03 6.69 50.39 1.81 0.00 0.31 0.27 7 V H H 95.62 2.89 15.40 18.70 94.18 -41.37 -65.58 -38.39 14.26 0.31 85.43 7.51 2.93 4.73 82.62 1.94 0.02 0.16 0.10 8 V H H 73.05 4.28 16.96 21.98 92.98 51.26 -65.98 -40.65 8.62 0.26 91.12 4.60 1.54 3.16 88.72 1.75 0.01 0.15 0.07 9 A H H 20.08 12.53 13.33 27.29 92.17 51.43 -64.45 -40.95 5.61 0.11 94.28 2.95 0.90 2.10 92.62 1.34 0.00 0.06 0.03 10 H H H 89.78 7.32 17.09 25.43 92.16 51.21 -64.36 -41.00 4.22 0.05 95.73 1.93 0.57 1.72 94.97 0.77 0.00 0.02 0.02 11 R H H 130.89 2.14 20.13 21.27 92.03 50.16 -64.98 -41.44 2.14 0.01 97.85 0.81 0.25 0.94 97.57 0.41 0.00 0.01 0.00 12 R H H 98.12 7.19 18.65 26.65 92.18 49.31 -65.22 -40.91 1.62 0.01 98.37 0.52 0.16 0.79 98.19 0.32 0.00 0.00 0.00 13 H H H 43.11 16.16 15.11 31.19 92.11 50.92 -64.32 -40.92 1.19 0.00 98.81 0.33 0.11 0.59 98.72 0.24 0.00 0.00 0.00 14 K H H 114.52 4.13 20.19 24.86 91.69 51.14 -64.11 -40.41 0.93 0.00 99.06 0.24 0.09 0.47 99.03 0.17 0.00 0.00 0.00 15 K H H 113.79 2.37 21.37 22.70 91.87 49.77 -65.07 -41.33 1.15 0.00 98.84 0.27 0.10 0.63 98.79 0.20 0.00 0.00 0.00 16 I H H 27.71 13.92 16.57 31.49 92.18 49.24 -64.72 -42.77 0.96 0.00 99.04 0.20 0.10 0.57 98.85 0.29 0.00 0.00 0.00 17 L H H 41.97 14.15 15.75 30.32 92.05 50.80 -63.73 -40.54 1.14 0.00 98.85 0.18 0.10 0.74 98.20 0.76 0.00 0.00 0.00 18 A H H 68.93 2.22 20.74 22.02 92.00 51.68 -64.76 -38.54 4.69 0.01 95.30 0.31 0.25 3.93 93.48 2.00 0.01 0.00 0.00 19 R H H 133.08 4.28 18.35 23.16 92.69 50.69 -71.16 -27.22 13.91 0.02 86.08 0.58 0.81 12.34 83.61 2.62 0.02 0.01 0.01 20 A H H 17.03 18.27 10.27 28.07 95.88 55.98 -82.12 -9.72 44.47 0.21 55.32 7.75 5.62 31.31 49.29 5.73 0.04 0.08 0.18 21 K C T 140.93 4.09 15.22 21.49 107.03 116.93 -65.61 121.36 79.78 0.36 19.86 7.32 4.85 67.84 9.71 9.80 0.00 0.17 0.32 22 G C T 61.07 1.32 16.31 17.14 98.04 22.71 78.98 -0.74 85.24 0.30 14.46 7.95 7.63 69.57 3.68 10.80 0.00 0.16 0.21 23 Y C C 98.85 11.72 9.87 21.96 112.95 109.10 -88.12 123.95 89.06 1.51 9.43 70.23 10.19 8.33 2.43 7.19 0.00 0.74 0.91 24 Y C C 157.80 3.64 13.39 18.70 114.15 -172.63 -103.78 127.09 88.76 4.45 6.79 61.77 12.33 14.56 2.99 3.49 0.00 2.07 2.79 25 G C C 41.12 5.23 13.69 20.34 125.92 46.29 118.89 -171.40 88.55 2.70 8.76 33.15 32.38 23.88 3.19 4.82 0.01 1.32 1.25 26 A C C 65.65 4.92 13.06 19.34 111.07 -68.94 -79.35 134.43 84.74 1.53 13.73 59.98 14.54 10.08 8.48 5.30 0.00 0.67 0.94 27 R H H 143.78 5.39 12.26 19.20 98.77 -128.05 -67.92 -33.67 37.85 0.78 61.37 21.38 8.59 9.59 50.85 8.85 0.02 0.34 0.38 28 S H H 76.98 2.56 14.02 17.21 95.07 56.31 -67.06 -32.25 24.33 0.31 75.37 7.75 4.62 12.24 64.93 10.12 0.05 0.15 0.15 29 R H H 138.30 2.91 15.24 18.60 95.31 51.54 -74.08 -29.54 19.03 0.38 80.59 8.08 3.15 8.38 70.86 9.14 0.03 0.21 0.15 30 V H H 49.74 9.92 13.26 24.42 93.58 56.58 -66.23 -41.08 8.22 0.16 91.62 4.61 1.37 2.71 89.17 2.00 0.00 0.08 0.05 31 Y H H 99.05 8.91 15.86 25.48 92.58 51.24 -65.30 -41.14 3.01 0.05 96.95 1.29 0.41 1.19 96.44 0.63 0.00 0.02 0.01 32 R H H 138.45 2.47 19.71 21.76 92.67 50.08 -65.45 -41.35 1.65 0.02 98.33 0.58 0.18 0.76 98.08 0.38 0.00 0.01 0.00 33 V H H 62.87 5.65 19.32 25.75 92.52 49.25 -65.42 -41.91 0.75 0.01 99.25 0.21 0.07 0.35 99.18 0.18 0.00 0.00 0.00 34 A H H 20.40 13.78 15.72 30.60 92.09 50.99 -63.96 -42.34 0.46 0.00 99.54 0.11 0.03 0.22 99.53 0.10 0.00 0.00 0.00 35 F H H 93.35 7.28 20.05 27.78 91.96 50.00 -64.24 -41.54 0.31 0.00 99.69 0.05 0.02 0.16 99.71 0.06 0.00 0.00 0.00 36 Q H H 96.88 3.04 22.00 24.46 91.95 49.83 -64.71 -41.14 0.19 0.00 99.81 0.03 0.01 0.10 99.82 0.04 0.00 0.00 0.00 37 A H H 31.43 9.37 18.22 28.93 92.17 50.24 -64.83 -40.90 0.20 0.00 99.80 0.02 0.01 0.11 99.81 0.04 0.00 0.00 0.00 38 V H H 47.10 11.77 18.00 30.22 92.42 49.28 -64.87 -42.02 0.31 0.00 99.69 0.03 0.02 0.19 99.71 0.06 0.00 0.00 0.00 39 I H H 86.83 4.42 20.74 25.21 92.00 48.93 -64.45 -41.99 0.74 0.00 99.26 0.08 0.04 0.48 99.31 0.09 0.00 0.00 0.00 40 K H H 111.47 3.19 21.12 24.08 92.20 48.83 -65.08 -41.31 1.27 0.00 98.73 0.16 0.09 0.81 98.79 0.15 0.00 0.00 0.00 41 A H H 32.40 9.69 17.15 28.02 91.96 50.59 -64.29 -40.95 1.21 0.00 98.78 0.17 0.09 0.75 98.75 0.24 0.00 0.00 0.00 42 G H H 27.32 7.92 17.88 26.66 92.47 51.05 -63.97 -40.98 1.86 0.00 98.13 0.24 0.12 1.23 98.01 0.39 0.00 0.00 0.00 43 Q H H 98.20 2.95 19.99 22.58 92.31 50.42 -65.37 -41.12 1.95 0.00 98.04 0.30 0.16 1.25 97.79 0.50 0.00 0.00 0.00 44 Y H H 108.66 4.35 19.13 23.84 92.17 49.29 -65.54 -40.92 2.16 0.01 97.83 0.44 0.22 1.30 97.37 0.66 0.00 0.00 0.00 45 A H H 34.26 8.84 15.57 25.63 92.24 51.67 -64.20 -40.95 3.09 0.01 96.90 0.65 0.30 1.86 96.44 0.75 0.00 0.00 0.00 46 Y H H 117.77 4.21 18.01 22.59 92.33 49.69 -65.52 -41.00 4.35 0.01 95.63 0.90 0.47 2.74 94.80 1.07 0.00 0.01 0.01 47 R H H 132.06 2.20 18.59 20.17 92.65 49.74 -65.82 -40.64 6.61 0.02 93.38 1.16 0.71 4.35 92.90 0.86 0.00 0.01 0.01 48 D H H 62.30 5.24 16.30 22.51 93.30 49.45 -66.95 -38.71 12.80 0.03 87.18 3.46 1.16 7.33 87.23 0.79 0.00 0.01 0.02 49 R H H 104.81 7.30 15.67 23.64 92.34 51.87 -64.51 -40.84 2.41 0.00 97.59 0.61 0.28 1.20 97.54 0.36 0.00 0.00 0.00 50 R H H 133.16 2.57 17.55 20.16 92.31 50.27 -65.25 -41.05 1.42 0.00 98.58 0.29 0.13 0.80 98.45 0.32 0.00 0.00 0.00 51 Q H H 94.38 2.46 17.82 19.99 92.16 49.26 -65.12 -41.10 1.21 0.00 98.78 0.27 0.11 0.67 98.66 0.29 0.00 0.00 0.00 52 K H H 93.26 5.69 16.44 22.96 92.16 49.99 -64.84 -41.03 0.86 0.00 99.14 0.19 0.07 0.43 99.17 0.14 0.00 0.00 0.00 53 K H H 93.77 6.97 16.47 24.38 91.96 50.63 -64.50 -40.78 0.59 0.00 99.41 0.10 0.04 0.32 99.45 0.10 0.00 0.00 0.00 54 R H H 132.87 2.65 18.31 20.95 92.24 50.25 -65.04 -40.95 0.37 0.00 99.63 0.05 0.02 0.21 99.65 0.07 0.00 0.00 0.00 55 Q H H 99.85 2.83 19.23 21.76 92.13 49.45 -65.22 -41.09 0.31 0.00 99.69 0.04 0.01 0.18 99.71 0.06 0.00 0.00 0.00 56 F H H 73.27 9.32 17.23 27.47 92.27 49.04 -64.73 -42.04 0.23 0.00 99.77 0.03 0.01 0.13 99.79 0.04 0.00 0.00 0.00 57 R H H 94.38 10.89 17.98 29.12 91.83 51.37 -63.51 -41.11 0.17 0.00 99.83 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 58 A H H 55.93 3.62 20.66 24.16 91.70 50.56 -64.38 -41.25 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 59 L H H 77.55 4.84 21.60 26.56 92.01 49.55 -64.80 -41.38 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 60 W H H 40.99 16.62 18.35 35.02 91.94 49.68 -64.20 -42.46 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 61 I H H 49.77 13.44 20.27 33.73 91.74 50.14 -63.51 -41.94 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 62 A H H 57.32 3.26 24.26 26.81 91.63 50.42 -64.13 -41.57 0.12 0.00 99.88 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 63 R H H 90.84 9.86 23.41 33.15 91.88 49.24 -65.38 -41.26 0.35 0.00 99.65 0.02 0.01 0.27 99.63 0.06 0.00 0.00 0.00 64 I H H 9.28 23.07 18.71 41.71 91.81 49.33 -64.52 -43.09 0.54 0.00 99.46 0.04 0.03 0.39 99.48 0.06 0.00 0.00 0.00 65 N H H 64.58 9.83 23.64 33.57 91.51 50.58 -63.25 -41.38 0.82 0.00 99.18 0.11 0.04 0.48 99.27 0.09 0.00 0.00 0.00 66 A H H 45.25 3.54 24.76 28.00 91.34 50.56 -63.51 -42.29 0.51 0.00 99.49 0.05 0.02 0.32 99.47 0.14 0.00 0.00 0.00 67 G H H 8.47 13.28 19.13 33.93 91.79 50.78 -64.17 -41.96 0.57 0.00 99.42 0.04 0.03 0.39 99.33 0.20 0.00 0.00 0.00 68 A H H 9.08 17.87 14.62 33.28 91.53 51.16 -63.64 -41.43 0.87 0.00 99.13 0.12 0.06 0.55 98.90 0.37 0.00 0.00 0.00 69 R H H 161.13 2.21 19.43 21.91 91.83 50.23 -63.79 -40.75 1.49 0.00 98.50 0.16 0.09 1.10 97.76 0.89 0.00 0.00 0.00 70 Q H H 126.34 2.55 17.57 20.64 91.73 52.28 -66.61 -30.88 7.22 0.01 92.77 0.21 0.29 6.81 91.80 0.88 0.01 0.00 0.00 71 N C T 66.39 10.42 13.34 24.77 95.48 43.95 -95.49 2.95 65.49 0.02 34.49 0.39 1.26 63.79 33.57 0.97 0.00 0.00 0.01 72 G C T 61.21 1.11 19.55 19.13 94.81 -111.52 77.28 16.67 99.90 0.00 0.10 1.34 1.56 97.05 0.03 0.01 0.00 0.00 0.00 73 L C C 32.66 17.09 9.93 26.86 122.72 134.02 -103.73 143.44 99.60 0.35 0.05 95.24 4.23 0.09 0.03 0.01 0.00 0.09 0.30 74 S C C 57.79 3.01 23.31 25.08 120.00 -126.58 -82.27 155.42 99.74 0.18 0.08 99.48 0.28 0.04 0.04 0.00 0.00 0.04 0.10 75 Y H H 68.09 18.87 13.18 31.20 92.19 -117.74 -59.06 -38.75 2.15 0.00 97.85 0.50 0.32 1.07 97.63 0.48 0.00 0.00 0.00 76 S H H 72.30 2.97 20.77 24.01 91.31 56.04 -63.23 -39.82 0.81 0.00 99.19 0.10 0.06 0.53 98.70 0.62 0.00 0.00 0.00 77 R H H 115.26 5.56 21.68 27.60 91.87 49.92 -65.81 -40.46 0.27 0.00 99.73 0.03 0.02 0.16 99.26 0.53 0.00 0.00 0.00 78 M H H 6.91 23.76 16.03 39.76 91.80 49.80 -64.33 -43.48 0.34 0.00 99.66 0.05 0.02 0.20 99.48 0.26 0.00 0.00 0.00 79 I H H 38.20 15.00 20.50 35.37 91.97 49.20 -64.05 -42.60 0.54 0.00 99.46 0.06 0.03 0.35 99.48 0.09 0.00 0.00 0.00 80 D H H 76.05 2.65 24.76 26.12 91.58 50.74 -63.54 -41.56 0.54 0.00 99.46 0.06 0.03 0.34 99.47 0.10 0.00 0.00 0.00 81 G H H 8.54 13.22 18.89 33.60 91.88 51.28 -63.55 -42.38 0.85 0.00 99.15 0.07 0.05 0.59 99.06 0.23 0.00 0.00 0.00 82 L H H 9.11 21.91 14.85 36.80 92.16 50.39 -64.32 -42.15 1.04 0.00 98.96 0.12 0.08 0.71 98.55 0.54 0.00 0.00 0.00 83 K H H 124.15 4.58 19.39 25.15 91.55 50.91 -63.77 -40.43 2.11 0.01 97.89 0.18 0.13 1.61 97.21 0.86 0.00 0.00 0.00 84 K H H 137.98 2.38 18.83 21.42 90.93 52.17 -65.20 -31.64 9.37 0.01 90.61 0.29 0.37 8.76 89.65 0.90 0.01 0.00 0.01 85 A C T 27.79 14.33 13.05 28.07 94.53 50.33 -88.06 -0.20 82.52 0.05 17.44 0.87 2.30 78.38 17.43 0.95 0.00 0.01 0.05 86 Q C T 147.38 1.48 20.10 21.00 94.23 -120.23 59.71 37.61 98.61 0.04 1.35 3.51 1.96 93.41 0.82 0.26 0.00 0.02 0.02 87 V C C 21.91 19.98 10.71 30.18 116.09 150.10 -100.62 124.73 96.90 2.37 0.72 92.57 3.59 0.97 0.30 0.33 0.00 1.57 0.67 88 I C C 116.04 3.13 23.39 26.64 111.51 -144.38 -93.52 119.89 94.49 5.11 0.40 91.32 2.91 0.66 0.18 0.17 0.00 3.70 1.05 89 I C C 19.85 23.03 10.59 32.72 124.60 170.29 -120.04 139.07 94.24 5.61 0.15 87.64 7.29 0.15 0.10 0.05 0.00 2.85 1.92 90 D C C 75.94 4.02 22.95 26.34 118.73 -122.88 -79.97 155.58 99.19 0.67 0.14 98.92 0.47 0.06 0.09 0.01 0.00 0.29 0.15 91 R H H 106.44 14.69 14.73 29.00 92.12 -114.03 -59.64 -37.07 1.49 0.00 98.51 0.21 0.19 0.84 98.53 0.23 0.00 0.00 0.00 92 R H H 140.71 4.38 20.87 25.97 91.74 54.63 -63.94 -40.70 0.74 0.00 99.26 0.06 0.05 0.52 99.08 0.28 0.00 0.00 0.00 93 V H H 38.27 11.68 20.65 32.96 92.00 48.84 -65.44 -42.06 0.50 0.00 99.50 0.05 0.03 0.35 99.24 0.33 0.00 0.00 0.00 94 L H H 7.62 23.10 18.57 41.41 91.48 50.05 -63.19 -42.97 0.18 0.00 99.82 0.02 0.01 0.10 99.80 0.06 0.00 0.00 0.00 95 A H H 16.89 15.30 20.84 36.68 91.44 51.28 -63.12 -41.81 0.30 0.00 99.70 0.03 0.01 0.17 99.72 0.06 0.00 0.00 0.00 96 D H H 64.36 5.81 25.61 31.79 91.59 50.52 -64.65 -41.04 0.65 0.00 99.35 0.05 0.03 0.47 99.33 0.12 0.00 0.00 0.00 97 I H H 16.90 16.70 20.85 37.96 91.82 50.60 -64.36 -41.67 0.68 0.00 99.32 0.05 0.05 0.48 99.16 0.26 0.00 0.00 0.00 98 A H H 8.53 21.49 17.20 38.61 91.68 51.74 -65.26 -34.59 1.73 0.00 98.26 0.16 0.10 1.33 97.71 0.69 0.00 0.00 0.00 99 M H H 88.17 9.72 20.60 30.31 94.13 50.82 -73.63 -33.60 8.77 0.01 91.22 0.18 0.30 8.50 90.29 0.72 0.01 0.00 0.00 100 H H H 113.73 4.71 20.11 25.30 101.15 32.08 -97.42 -26.47 18.10 0.03 81.87 0.47 1.89 15.32 81.80 0.47 0.02 0.01 0.02 101 D C C 58.59 10.13 17.04 27.83 115.78 16.00 -139.18 93.77 98.20 0.19 1.60 91.12 5.44 1.50 1.58 0.15 0.00 0.06 0.16 102 A H H 44.60 15.37 14.85 30.02 93.73 175.06 -63.34 -36.42 1.51 0.00 98.49 0.23 0.12 0.92 98.18 0.54 0.00 0.00 0.00 103 V H H 94.34 3.28 23.74 27.02 91.70 55.14 -64.09 -40.27 0.57 0.00 99.42 0.04 0.03 0.43 99.03 0.47 0.00 0.00 0.00 104 A H H 19.23 12.41 20.69 34.19 91.43 50.66 -64.47 -41.86 0.15 0.00 99.85 0.01 0.01 0.10 99.52 0.36 0.00 0.00 0.00 105 F H H 7.68 24.36 18.31 42.55 91.69 50.01 -63.73 -42.80 0.09 0.00 99.91 0.01 0.00 0.05 99.85 0.08 0.00 0.00 0.00 106 A H H 33.42 10.71 23.91 34.95 91.42 50.95 -63.31 -42.02 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 107 A H H 43.63 4.58 26.00 30.80 91.23 50.72 -63.49 -42.71 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 108 L H H 13.34 19.04 21.75 40.66 91.53 49.48 -64.04 -43.06 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 109 A H H 10.21 20.86 19.60 40.22 91.38 50.68 -63.13 -42.53 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 110 E H H 112.24 3.37 25.47 28.79 91.62 50.35 -63.86 -41.59 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 111 K H H 104.33 4.92 24.41 29.38 91.77 49.08 -65.18 -40.86 0.29 0.00 99.71 0.02 0.01 0.19 99.74 0.04 0.00 0.00 0.00 112 A H H 7.29 20.47 15.86 36.63 91.65 50.26 -65.10 -41.50 0.59 0.00 99.41 0.07 0.03 0.36 99.44 0.10 0.00 0.00 0.00 113 K H H 94.64 10.40 19.82 30.34 91.64 52.24 -62.89 -41.03 1.02 0.00 98.98 0.13 0.07 0.67 98.85 0.29 0.00 0.00 0.00 114 G H H 42.36 1.96 21.24 21.65 92.14 50.63 -64.21 -40.59 2.58 0.00 97.42 0.25 0.16 1.87 97.10 0.62 0.00 0.00 0.00 115 A H H 44.70 8.01 16.22 25.53 92.63 50.70 -67.31 -37.10 6.16 0.01 93.83 0.65 0.47 4.51 93.35 1.00 0.00 0.00 0.00 116 L H H 53.95 14.67 11.90 26.39 93.15 52.10 -69.68 -32.22 16.30 0.07 83.63 2.63 1.86 11.21 83.03 1.19 0.02 0.02 0.05 117 A H H 83.08 2.25 13.81 16.86 95.67 57.00 -74.86 -18.48 46.09 0.26 53.65 19.17 1.46 22.96 55.15 1.00 0.00 0.07 0.18 118 A C C 78.94 2.85 13.08 17.17 103.01 77.37 -78.47 9.06 99.87 0.01 0.12 99.53 0.10 0.24 0.12 0.00 0.00 0.00 0.00