# 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 97.12 8.69 15.56 24.93 116.96 -165.30 -100.34 132.20 99.96 0.03 0.01 99.91 0.04 0.02 0.00 0.00 0.00 0.01 0.00 1 Y C C 125.24 8.34 14.74 24.07 118.23 -142.66 -94.37 137.39 96.29 2.40 1.31 93.26 1.37 1.92 0.84 0.29 0.00 1.03 1.30 2 L C C 34.42 18.16 9.64 26.91 115.85 -121.40 -87.50 135.62 97.45 1.39 1.16 81.83 14.33 1.22 0.86 0.27 0.00 0.52 0.96 3 T C C 64.94 3.38 17.24 20.96 120.34 -127.50 -79.61 161.95 98.30 0.43 1.27 95.57 2.42 0.44 1.10 0.12 0.00 0.14 0.22 4 K H H 136.29 4.67 12.55 19.23 91.81 -109.81 -58.93 -38.46 3.55 0.01 96.44 0.96 0.73 1.67 96.17 0.47 0.00 0.00 0.00 5 E H H 131.18 1.18 16.52 16.47 92.19 52.57 -64.72 -40.52 2.33 0.01 97.67 0.45 0.28 1.38 97.38 0.50 0.00 0.00 0.00 6 K H H 75.63 8.45 15.14 24.93 92.15 47.92 -66.56 -39.81 1.29 0.00 98.71 0.43 0.14 0.65 98.27 0.51 0.00 0.00 0.00 7 K H H 45.07 17.28 13.37 30.21 91.59 52.28 -62.50 -42.26 0.45 0.00 99.55 0.12 0.04 0.21 99.50 0.13 0.00 0.00 0.00 8 E H H 98.83 4.21 19.70 24.29 91.51 50.95 -63.63 -40.80 0.38 0.00 99.62 0.06 0.02 0.19 99.65 0.07 0.00 0.00 0.00 9 E H H 101.38 2.43 21.76 23.00 91.90 49.76 -64.90 -41.71 0.54 0.00 99.46 0.07 0.03 0.31 99.49 0.10 0.00 0.00 0.00 10 I H H 13.69 16.76 15.95 33.70 92.00 49.50 -64.05 -43.36 0.82 0.00 99.18 0.10 0.06 0.52 99.16 0.15 0.00 0.00 0.00 11 F H H 38.42 16.71 15.31 32.10 91.83 49.56 -64.68 -40.06 1.15 0.00 98.85 0.18 0.10 0.75 98.47 0.49 0.00 0.00 0.00 12 A H H 76.46 2.24 19.46 21.38 91.98 52.79 -65.60 -36.55 4.09 0.01 95.90 0.32 0.25 3.35 94.34 1.73 0.00 0.00 0.00 13 Q H H 116.63 3.04 18.69 22.00 94.04 48.47 -72.92 -31.91 10.73 0.01 89.25 0.55 0.70 9.27 87.84 1.62 0.01 0.00 0.01 14 H H H 56.84 14.52 13.18 27.53 102.78 34.85 -101.26 -9.38 27.55 0.17 72.28 4.54 5.64 17.74 70.50 1.35 0.04 0.05 0.13 15 G C C 28.87 10.43 13.77 24.86 119.91 98.70 -59.35 165.64 91.75 0.58 7.67 54.35 11.67 26.25 4.25 2.80 0.00 0.24 0.45 16 D C C 96.28 4.65 15.12 20.91 115.44 -89.26 -90.73 145.59 92.61 1.04 6.35 59.98 14.75 17.94 2.32 3.70 0.00 0.42 0.89 17 A C C 79.47 5.09 12.87 19.26 98.46 -108.76 -74.54 -18.24 95.96 0.39 3.65 70.57 15.48 9.97 1.37 2.16 0.00 0.18 0.27 18 K C C 147.81 2.33 15.46 18.20 101.85 62.06 -86.99 -0.96 96.62 0.47 2.91 75.27 13.48 7.89 1.10 1.69 0.00 0.22 0.35 19 N C C 73.91 9.49 12.34 22.73 107.53 61.58 -99.58 86.26 97.03 0.82 2.15 81.82 11.10 4.03 0.94 1.06 0.00 0.32 0.74 20 T C T 70.23 9.74 13.68 24.32 99.95 163.94 -86.35 -1.71 96.69 0.55 2.76 39.48 10.51 47.05 1.19 1.17 0.00 0.27 0.33 21 G C T 42.99 8.08 17.71 26.34 97.38 50.02 53.15 2.87 95.94 0.55 3.51 28.92 18.70 48.76 1.60 1.47 0.00 0.24 0.31 22 K C C 85.16 7.59 19.23 27.78 119.88 120.57 -81.83 148.47 93.12 1.38 5.50 57.50 34.11 1.09 5.17 0.54 0.00 0.25 1.33 23 A H H 34.96 16.29 17.06 32.99 92.66 -121.73 -59.97 -39.18 3.01 0.01 96.98 0.73 0.66 1.31 97.02 0.27 0.00 0.00 0.00 24 E H H 85.60 10.97 22.29 33.05 91.97 53.98 -63.54 -39.99 1.04 0.00 98.96 0.17 0.09 0.59 98.91 0.23 0.00 0.00 0.00 25 G H H 10.71 13.10 21.04 35.19 91.77 50.57 -64.22 -41.76 0.31 0.00 99.69 0.05 0.02 0.16 99.59 0.18 0.00 0.00 0.00 26 Q H H 36.96 17.01 23.14 39.26 91.66 50.99 -64.26 -42.18 0.13 0.00 99.87 0.02 0.01 0.06 99.82 0.08 0.00 0.00 0.00 27 I H H 21.00 18.65 23.47 41.51 91.51 50.03 -63.95 -42.98 0.09 0.00 99.91 0.01 0.00 0.05 99.89 0.04 0.00 0.00 0.00 28 A H H 28.18 10.74 25.65 37.15 91.62 50.84 -63.90 -42.10 0.13 0.00 99.87 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 29 L H H 33.33 14.27 24.89 39.18 91.57 49.84 -64.30 -42.32 0.19 0.00 99.81 0.01 0.01 0.14 99.81 0.03 0.00 0.00 0.00 30 F H H 17.05 21.10 22.80 43.03 91.54 49.95 -64.18 -42.34 0.21 0.00 99.79 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 31 T H H 34.88 14.66 23.50 37.65 91.80 50.84 -63.94 -42.00 0.21 0.00 99.79 0.02 0.01 0.11 99.83 0.02 0.00 0.00 0.00 32 Y H H 91.85 8.07 25.31 33.80 91.92 49.61 -64.76 -41.91 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 33 R H H 58.68 15.05 23.04 37.34 91.89 49.71 -64.68 -41.79 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 34 I H H 13.20 20.78 19.61 40.08 91.49 50.17 -64.35 -42.53 0.30 0.00 99.70 0.02 0.01 0.20 99.72 0.05 0.00 0.00 0.00 35 S H H 49.67 6.70 23.82 30.80 91.59 51.69 -64.03 -41.20 0.57 0.00 99.43 0.04 0.02 0.39 99.48 0.06 0.00 0.00 0.00 36 H H H 76.13 6.85 23.11 30.42 91.83 49.95 -65.08 -40.94 1.34 0.00 98.66 0.09 0.06 0.99 98.74 0.12 0.00 0.00 0.00 37 L H H 13.03 19.57 17.95 37.60 92.16 50.44 -64.90 -41.03 0.80 0.00 99.20 0.08 0.05 0.54 99.19 0.15 0.00 0.00 0.00 38 T H H 37.49 12.18 19.15 31.95 91.73 52.23 -63.48 -41.51 0.50 0.00 99.50 0.06 0.03 0.30 99.45 0.15 0.00 0.00 0.00 39 E H H 104.05 2.09 23.03 23.38 91.84 50.40 -64.35 -41.45 0.65 0.00 99.35 0.07 0.04 0.45 99.19 0.25 0.00 0.00 0.00 40 H H H 48.13 9.01 17.50 28.24 92.15 49.24 -65.28 -40.96 1.01 0.00 98.98 0.09 0.07 0.76 98.61 0.47 0.00 0.00 0.00 41 L H H 24.12 16.11 12.21 28.79 91.95 51.24 -65.34 -38.78 1.77 0.00 98.23 0.18 0.15 1.32 97.47 0.88 0.00 0.00 0.00 42 K H H 136.62 2.59 16.16 19.49 92.29 51.27 -65.86 -36.40 7.26 0.01 92.73 0.39 0.42 6.30 91.85 1.03 0.01 0.00 0.00 43 K H H 151.07 1.14 15.78 15.90 94.83 44.34 -75.82 -29.54 17.81 0.02 82.17 0.65 1.68 15.19 81.52 0.92 0.02 0.00 0.02 44 N C C 71.09 7.49 10.53 19.46 106.72 33.38 -115.48 51.49 78.56 0.32 21.12 37.07 13.06 27.38 20.31 1.78 0.00 0.09 0.31 45 R C T 162.04 4.12 12.44 18.34 97.69 -158.87 -52.00 2.67 92.07 0.24 7.69 15.61 12.07 64.53 3.05 4.44 0.00 0.11 0.19 46 H C T 141.53 2.76 14.14 17.61 102.04 65.75 -87.39 37.04 92.38 0.24 7.38 13.26 19.02 60.37 2.69 4.35 0.00 0.10 0.20 47 D C C 55.93 9.44 10.39 21.30 107.34 149.11 -94.68 100.11 92.00 0.32 7.68 81.51 6.90 4.24 4.34 2.59 0.00 0.11 0.31 48 Y H H 152.40 3.62 14.45 19.59 95.12 -175.81 -69.35 -28.26 42.48 0.21 57.31 18.46 6.96 17.83 49.82 6.68 0.01 0.08 0.16 49 N H H 99.13 2.59 17.28 19.83 93.31 59.01 -69.10 -32.35 34.30 0.16 65.54 10.79 5.09 18.68 59.52 5.74 0.02 0.06 0.10 50 T H H 27.41 13.18 13.55 27.69 92.96 54.83 -67.97 -36.37 17.82 0.13 82.05 9.31 2.60 5.88 77.67 4.42 0.00 0.06 0.06 51 E H H 75.53 11.77 16.49 28.49 92.02 56.22 -62.97 -41.51 5.46 0.04 94.50 2.69 0.81 1.91 93.29 1.26 0.00 0.02 0.01 52 R H H 145.36 1.79 21.82 22.21 91.76 50.54 -64.69 -41.27 1.50 0.00 98.50 0.49 0.19 0.67 98.24 0.40 0.00 0.00 0.00 53 S H H 39.96 7.20 19.70 27.89 91.86 50.24 -64.73 -41.33 0.88 0.00 99.12 0.23 0.08 0.44 98.97 0.27 0.00 0.00 0.00 54 L H H 17.80 19.69 15.62 35.16 91.88 50.59 -64.49 -41.76 0.42 0.00 99.58 0.09 0.03 0.22 99.50 0.16 0.00 0.00 0.00 55 V H H 72.18 6.96 21.20 28.59 91.67 50.65 -63.69 -41.43 0.23 0.00 99.77 0.04 0.02 0.13 99.74 0.08 0.00 0.00 0.00 56 L H H 95.63 2.34 23.44 24.26 91.83 49.61 -64.75 -41.54 0.31 0.00 99.69 0.04 0.02 0.20 99.67 0.08 0.00 0.00 0.00 57 L H H 26.23 14.75 18.78 34.14 91.73 48.99 -64.87 -42.19 0.58 0.00 99.42 0.05 0.03 0.42 99.41 0.10 0.00 0.00 0.00 58 V H H 24.85 16.70 18.28 35.07 91.66 50.17 -63.91 -42.23 0.49 0.00 99.51 0.05 0.03 0.32 99.54 0.06 0.00 0.00 0.00 59 G H H 34.52 3.16 22.77 25.38 91.31 51.27 -63.05 -41.98 0.67 0.00 99.33 0.08 0.03 0.43 99.40 0.06 0.00 0.00 0.00 60 K H H 101.88 5.06 22.80 27.97 91.74 49.12 -64.84 -40.85 0.42 0.00 99.58 0.05 0.02 0.26 99.62 0.05 0.00 0.00 0.00 61 R H H 34.64 19.33 17.59 36.28 91.76 50.39 -64.14 -41.66 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 62 R H H 109.66 9.37 21.59 31.16 91.37 51.77 -62.61 -41.16 0.09 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 63 A H H 56.80 2.51 24.04 25.17 91.37 50.51 -63.80 -41.71 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 64 L H H 26.32 14.49 20.33 35.33 91.81 49.75 -64.59 -42.40 0.16 0.00 99.84 0.01 0.00 0.11 99.83 0.04 0.00 0.00 0.00 65 L H H 14.21 19.62 17.56 37.30 91.46 50.87 -63.01 -41.65 0.19 0.00 99.81 0.01 0.01 0.12 99.79 0.07 0.00 0.00 0.00 66 D H H 75.51 3.33 23.37 26.10 91.36 50.99 -63.54 -40.89 0.56 0.00 99.44 0.04 0.02 0.41 99.31 0.21 0.00 0.00 0.00 67 Y H H 85.83 5.13 20.86 26.76 91.72 50.21 -64.05 -41.84 1.05 0.00 98.95 0.06 0.06 0.84 98.48 0.57 0.00 0.00 0.00 68 L H H 11.74 18.39 13.98 33.09 91.97 50.19 -64.78 -40.98 2.07 0.00 97.92 0.21 0.16 1.50 97.08 1.05 0.00 0.00 0.00 69 K H H 89.65 10.80 15.38 26.73 91.59 53.73 -64.27 -35.88 8.84 0.02 91.15 0.73 0.56 7.22 89.86 1.61 0.01 0.01 0.01 70 R H H 172.86 1.20 17.82 17.89 92.68 51.19 -70.49 -31.02 19.07 0.03 80.90 0.94 1.39 16.34 79.96 1.34 0.02 0.01 0.02 71 K H H 119.49 4.19 15.32 20.43 100.10 38.85 -91.89 -27.83 42.19 0.11 57.70 2.50 10.49 27.37 58.44 1.04 0.03 0.03 0.10 72 D C C 63.61 7.68 14.41 23.49 114.10 8.83 -138.10 90.85 96.59 0.25 3.16 88.83 2.74 4.76 3.05 0.33 0.00 0.08 0.21 73 I H H 76.44 10.92 12.26 24.36 93.97 168.24 -62.98 -36.49 2.18 0.00 97.81 0.58 0.23 1.06 97.74 0.40 0.00 0.00 0.00 74 N H H 110.34 1.44 19.31 19.52 91.61 54.24 -64.08 -40.73 0.87 0.00 99.13 0.07 0.06 0.63 98.87 0.37 0.00 0.00 0.00 75 R H H 93.43 7.27 18.49 26.72 91.86 48.57 -65.50 -40.45 0.30 0.00 99.70 0.03 0.02 0.19 99.45 0.31 0.00 0.00 0.00 76 Y H H 14.51 21.45 13.66 35.06 91.72 51.32 -63.24 -42.91 0.12 0.00 99.88 0.01 0.00 0.07 99.83 0.08 0.00 0.00 0.00 77 R H H 112.28 6.63 20.65 27.98 91.44 51.37 -63.07 -41.21 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 78 E H H 92.70 2.69 22.28 23.96 91.60 50.35 -63.88 -42.38 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 79 I H H 13.99 17.17 17.43 35.40 92.09 49.01 -64.41 -43.34 0.18 0.00 99.81 0.01 0.01 0.11 99.82 0.05 0.00 0.00 0.00 80 I H H 17.62 17.66 15.37 33.51 91.85 49.82 -63.47 -42.50 0.42 0.00 99.58 0.04 0.02 0.27 99.52 0.14 0.00 0.00 0.00 81 K H H 137.66 1.73 19.59 20.57 92.07 49.60 -64.56 -40.95 1.22 0.00 98.78 0.09 0.05 0.93 98.49 0.43 0.00 0.00 0.00 82 V H H 82.04 5.04 17.33 23.25 92.01 50.42 -66.56 -36.10 5.08 0.01 94.91 0.18 0.20 4.62 94.51 0.48 0.00 0.00 0.00 83 L C T 30.16 16.69 12.20 29.15 94.60 45.88 -89.57 -3.45 55.60 0.05 44.36 0.96 2.18 50.58 45.13 1.08 0.01 0.01 0.04 84 N C T 123.30 1.92 19.48 21.28 94.57 -120.74 59.43 38.51 97.03 0.05 2.92 6.06 2.84 88.13 2.56 0.36 0.00 0.02 0.02 85 I C C 38.69 17.26 9.04 25.40 109.45 146.73 -93.08 88.81 94.99 0.94 4.07 80.48 6.91 7.81 2.44 1.36 0.00 0.46 0.54 86 R C C 146.23 4.40 13.84 19.88 116.50 106.89 -94.19 136.62 94.69 2.26 3.06 88.64 1.41 5.23 1.67 0.82 0.00 1.14 1.08 87 K C C 140.96 4.74 14.20 20.80 110.33 -119.22 -80.27 128.37 99.96 0.04 0.01 99.92 0.04 0.01 0.00 0.00 0.00 0.02 0.00