# 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 102.89 6.98 12.34 20.62 114.15 -158.50 -93.24 132.56 99.82 0.12 0.05 99.73 0.11 0.06 0.03 0.00 0.00 0.05 0.02 1 S C C 66.77 4.21 11.44 17.08 110.23 -133.40 -82.26 152.44 78.76 3.13 18.11 70.52 1.61 5.95 17.04 1.68 0.00 1.29 1.90 2 G H H 51.89 2.84 11.09 15.20 97.20 -105.97 -65.43 -35.19 45.41 1.01 53.57 21.38 11.30 14.64 47.30 4.41 0.05 0.44 0.48 3 V H H 106.40 1.81 12.26 14.54 95.39 52.52 -70.48 -34.57 32.59 0.68 66.73 15.39 7.44 11.25 60.47 4.80 0.04 0.32 0.30 4 S H H 56.59 4.81 13.05 19.23 95.79 52.73 -70.20 -36.01 29.38 0.70 69.92 19.18 4.92 6.61 64.62 4.06 0.01 0.35 0.26 5 T H H 60.88 7.14 12.94 21.46 94.02 55.66 -66.40 -39.08 15.06 0.28 84.66 9.79 2.47 3.48 82.12 1.91 0.00 0.13 0.09 6 A H H 61.30 2.84 15.64 18.91 92.78 52.74 -65.14 -40.63 4.77 0.06 95.16 2.43 0.71 1.61 94.30 0.90 0.00 0.03 0.02 7 A H H 55.50 3.38 16.29 20.33 92.47 51.03 -65.36 -40.28 3.02 0.04 96.94 1.33 0.37 1.24 96.33 0.69 0.00 0.02 0.01 8 Y H H 79.53 10.38 14.89 26.12 92.56 50.28 -65.22 -41.05 1.66 0.02 98.32 0.63 0.20 0.74 97.98 0.43 0.00 0.01 0.00 9 F H H 101.62 6.34 16.96 24.38 92.14 50.67 -64.36 -41.02 1.08 0.01 98.91 0.37 0.12 0.48 98.79 0.24 0.00 0.00 0.00 10 A H H 62.29 2.50 19.20 21.12 91.94 50.46 -64.50 -40.66 1.06 0.01 98.93 0.31 0.10 0.52 98.87 0.20 0.00 0.00 0.00 11 R H H 105.63 7.11 18.26 26.13 92.29 49.22 -66.00 -40.08 1.17 0.01 98.82 0.29 0.11 0.62 98.76 0.21 0.00 0.00 0.00 12 R H H 76.05 13.75 16.95 30.63 91.90 51.40 -63.99 -41.37 1.30 0.01 98.69 0.31 0.12 0.69 98.67 0.19 0.00 0.00 0.00 13 A H H 52.63 4.68 20.52 25.64 91.78 50.76 -63.89 -41.17 1.49 0.00 98.51 0.36 0.13 0.79 98.47 0.25 0.00 0.00 0.00 14 A H H 50.56 3.80 21.76 25.49 91.61 50.12 -64.47 -40.66 1.93 0.00 98.07 0.39 0.15 1.11 98.05 0.28 0.00 0.00 0.00 15 Q H H 33.83 16.18 18.49 34.69 91.92 50.34 -65.41 -40.67 1.45 0.00 98.54 0.32 0.12 0.78 98.58 0.18 0.00 0.00 0.00 16 K H H 67.90 15.61 19.97 34.66 91.35 52.37 -62.21 -41.80 0.62 0.00 99.37 0.13 0.05 0.31 99.42 0.09 0.00 0.00 0.00 17 E H H 101.71 3.88 24.70 28.13 91.39 50.53 -64.24 -41.29 0.34 0.00 99.66 0.06 0.02 0.18 99.69 0.05 0.00 0.00 0.00 18 R H H 87.92 10.20 23.57 33.72 91.66 49.19 -64.89 -41.60 0.31 0.00 99.69 0.04 0.02 0.18 99.72 0.05 0.00 0.00 0.00 19 V H H 3.87 24.81 19.05 44.08 91.03 49.90 -63.68 -43.12 0.29 0.00 99.71 0.04 0.01 0.16 99.75 0.03 0.00 0.00 0.00 20 R H H 77.49 14.38 23.73 37.11 91.28 51.39 -62.39 -42.20 0.17 0.00 99.83 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 21 I H H 74.40 5.04 26.46 31.65 91.38 49.95 -63.68 -42.49 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 22 L H H 12.78 18.59 22.50 41.07 91.32 49.90 -63.60 -43.24 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 23 Y H H 10.30 24.09 21.93 45.38 91.16 50.18 -63.22 -42.80 0.17 0.00 99.83 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 24 R H H 88.48 11.04 25.77 36.70 91.50 50.74 -63.46 -41.99 0.25 0.00 99.75 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 25 R H H 91.88 7.97 26.93 35.54 91.53 49.32 -64.75 -41.29 0.40 0.00 99.60 0.03 0.02 0.29 99.53 0.13 0.00 0.00 0.00 26 A H H 3.24 23.50 21.10 44.64 91.23 50.35 -63.86 -43.00 0.81 0.00 99.18 0.07 0.04 0.60 98.91 0.38 0.00 0.00 0.00 27 L H H 15.68 21.03 22.60 42.82 91.25 50.49 -63.44 -41.41 1.88 0.00 98.12 0.18 0.10 1.41 95.89 2.42 0.00 0.00 0.00 28 K H H 99.83 6.09 26.75 33.18 91.81 50.70 -64.44 -40.39 5.99 0.01 94.00 0.32 0.29 5.12 90.29 3.96 0.01 0.00 0.00 29 D H H 31.31 13.58 22.96 36.74 91.93 49.44 -67.89 -35.56 14.23 0.04 85.73 1.19 1.02 11.41 79.94 6.38 0.03 0.02 0.02 30 T H H 5.33 24.28 17.24 41.53 92.33 56.75 -65.56 -35.22 15.67 0.22 84.11 3.58 2.04 9.13 64.09 20.88 0.05 0.12 0.10 31 L H H 64.53 13.06 20.31 33.21 91.37 60.92 -67.23 -25.29 27.52 0.22 72.26 3.03 2.34 19.44 45.85 29.02 0.07 0.12 0.13 32 N H T 97.51 4.65 21.99 27.07 94.66 58.39 -84.48 -6.07 43.61 0.32 56.07 5.80 4.34 31.24 30.41 27.76 0.06 0.16 0.24 33 W C C 53.07 18.17 13.23 30.83 106.94 90.36 -85.94 106.73 63.30 2.25 34.45 33.90 13.51 16.67 19.42 13.99 0.04 0.88 1.60 34 A C C 52.21 9.83 16.46 26.82 101.34 91.86 -74.27 -28.71 69.51 3.55 26.94 40.19 13.31 15.90 14.31 12.34 0.03 1.46 2.47 35 V C T 82.57 7.20 16.88 24.49 98.69 46.51 -78.14 -31.28 74.82 1.09 24.09 12.83 23.40 39.22 11.09 12.09 0.04 0.50 0.83 36 H C T 75.60 10.81 15.64 26.94 105.06 34.59 -108.92 56.53 79.45 0.77 19.78 33.46 11.38 35.70 9.35 9.23 0.00 0.33 0.55 37 R H H 92.64 14.25 13.43 27.49 94.22 152.97 -63.33 -35.39 23.37 0.35 76.28 11.98 4.80 8.09 64.59 10.18 0.02 0.15 0.18 38 H H H 121.66 3.25 19.51 22.98 92.23 58.68 -65.36 -36.20 11.27 0.09 88.64 1.85 1.27 7.47 74.71 14.59 0.02 0.06 0.03 39 I H H 54.69 9.00 18.55 28.69 92.91 50.02 -67.75 -39.00 9.00 0.09 90.91 1.45 0.91 6.02 77.64 13.89 0.02 0.06 0.03 40 F H H 16.26 21.02 14.67 35.41 92.91 50.73 -68.10 -37.54 9.14 0.08 90.78 2.40 1.02 5.38 83.02 8.09 0.01 0.06 0.03 41 Y H H 95.51 11.32 19.59 30.86 92.19 54.99 -62.87 -42.06 2.33 0.01 97.66 0.83 0.27 1.10 97.13 0.66 0.00 0.00 0.00 42 R H H 141.89 1.98 24.34 24.89 91.76 49.36 -64.84 -41.58 1.37 0.00 98.63 0.28 0.11 0.84 98.25 0.52 0.00 0.00 0.00 43 D H H 34.33 13.86 20.81 34.74 92.09 48.45 -65.89 -40.71 1.39 0.00 98.61 0.30 0.11 0.85 98.18 0.56 0.00 0.00 0.00 44 A H H 4.94 22.39 16.70 39.36 91.44 51.87 -63.30 -42.02 0.83 0.00 99.17 0.18 0.06 0.45 99.05 0.25 0.00 0.00 0.00 45 S H H 49.85 4.94 23.83 28.91 91.25 51.52 -63.68 -41.51 0.75 0.00 99.25 0.12 0.04 0.45 99.21 0.17 0.00 0.00 0.00 46 D H H 69.89 4.22 24.43 28.41 91.55 49.94 -64.46 -41.45 0.61 0.00 99.39 0.07 0.03 0.40 99.40 0.11 0.00 0.00 0.00 47 L H H 6.54 22.30 17.80 40.36 91.66 50.14 -64.09 -42.93 0.29 0.00 99.71 0.04 0.01 0.17 99.70 0.07 0.00 0.00 0.00 48 R H H 75.34 15.32 20.50 34.92 91.35 51.79 -62.37 -41.68 0.19 0.00 99.81 0.02 0.01 0.11 99.79 0.07 0.00 0.00 0.00 49 E H H 110.81 1.82 24.58 24.30 91.62 50.37 -64.11 -41.58 0.26 0.00 99.74 0.02 0.01 0.17 99.67 0.13 0.00 0.00 0.00 50 K H H 70.31 10.28 20.85 31.45 92.00 49.30 -65.24 -41.12 0.57 0.00 99.43 0.04 0.03 0.42 99.22 0.30 0.00 0.00 0.00 51 F H H 8.48 23.64 13.95 37.64 91.75 50.18 -64.47 -41.73 1.52 0.00 98.48 0.12 0.09 1.16 97.86 0.76 0.00 0.00 0.00 52 N H H 88.22 5.53 20.67 26.95 91.42 52.59 -63.35 -37.52 6.44 0.01 93.54 0.57 0.42 5.25 90.56 3.19 0.01 0.00 0.01 53 V H H 93.94 2.64 20.86 22.91 91.42 53.67 -68.36 -28.11 22.60 0.04 77.36 0.85 1.25 20.49 72.66 4.68 0.03 0.01 0.03 54 N C T 27.09 16.78 12.77 30.04 97.76 48.12 -100.40 8.34 56.07 0.17 43.76 8.90 3.34 43.56 35.74 8.22 0.01 0.06 0.16 55 Q C T 87.24 12.50 14.56 27.39 92.86 109.53 -62.84 -26.89 93.38 0.23 6.39 4.61 4.40 84.86 3.24 2.61 0.00 0.11 0.18 56 D C T 114.34 1.47 19.80 20.28 95.10 50.28 -92.08 5.16 97.36 0.10 2.54 5.93 5.23 86.30 0.68 1.75 0.00 0.05 0.06 57 V C C 30.33 16.65 8.49 25.12 111.12 120.54 -78.33 121.78 99.07 0.39 0.54 96.45 1.97 0.75 0.23 0.17 0.00 0.11 0.32 58 E C C 150.31 1.69 17.18 19.35 100.24 174.70 -106.37 -10.05 99.67 0.16 0.17 91.09 7.96 0.60 0.08 0.06 0.00 0.05 0.16 59 D C C 76.66 4.08 15.98 21.46 110.59 96.80 -84.01 118.06 99.37 0.33 0.30 60.13 38.94 0.20 0.27 0.04 0.00 0.06 0.36 60 V H H 71.90 11.22 11.71 24.00 92.61 -156.27 -60.65 -36.02 1.99 0.00 98.01 0.21 0.21 1.38 97.61 0.58 0.00 0.00 0.00 61 D H H 104.69 1.53 18.28 18.98 91.65 54.60 -64.20 -39.87 1.13 0.00 98.87 0.10 0.07 0.84 98.42 0.58 0.00 0.00 0.00 62 R H H 101.58 5.60 18.21 24.63 92.03 48.15 -66.68 -40.09 0.22 0.00 99.78 0.03 0.01 0.12 99.52 0.31 0.00 0.00 0.00 63 I H H 13.29 20.41 13.27 33.81 91.34 51.89 -62.65 -43.30 0.05 0.00 99.95 0.00 0.00 0.02 99.94 0.03 0.00 0.00 0.00 64 D H H 70.54 7.44 21.11 28.96 91.34 51.28 -62.91 -40.99 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 65 K H H 115.04 2.12 24.45 24.93 91.63 50.03 -64.47 -41.66 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 66 L H H 18.09 16.34 19.39 36.33 91.66 49.60 -63.97 -43.06 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 67 I H H 16.43 20.96 18.92 39.48 91.54 49.48 -63.10 -42.75 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 68 A H H 56.53 3.90 24.56 28.02 91.63 50.57 -63.42 -42.16 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 69 H H H 100.13 3.78 25.10 28.46 91.63 48.72 -64.90 -41.26 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 70 G H H 2.78 21.19 16.63 38.51 91.38 50.58 -63.77 -42.99 0.23 0.00 99.77 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 71 E H H 60.00 13.45 21.01 34.22 91.53 51.03 -62.86 -41.65 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.05 0.00 0.00 0.00 72 A H H 56.74 2.16 23.90 24.30 91.44 50.48 -63.44 -42.35 0.24 0.00 99.76 0.02 0.01 0.17 99.73 0.08 0.00 0.00 0.00 73 E H H 61.82 9.38 20.25 30.44 91.98 48.98 -65.50 -41.02 0.50 0.00 99.50 0.03 0.02 0.38 99.36 0.21 0.00 0.00 0.00 74 Y H H 16.27 22.24 13.66 35.72 91.63 50.91 -63.89 -41.60 0.81 0.00 99.19 0.05 0.04 0.63 98.25 1.03 0.00 0.00 0.00 75 N H H 93.40 5.70 18.91 25.66 91.39 52.24 -64.65 -34.68 4.27 0.00 95.73 0.15 0.14 3.96 93.32 2.43 0.00 0.00 0.00 76 K H H 139.54 1.97 20.37 21.62 92.25 52.14 -70.57 -30.17 17.55 0.01 82.43 0.42 0.64 17.07 79.27 2.56 0.01 0.00 0.01 77 W H H 68.04 15.62 14.65 30.12 98.59 45.44 -94.53 -0.62 43.96 0.43 55.61 5.98 6.21 32.04 52.37 2.85 0.09 0.15 0.31 78 R C C 108.52 12.08 17.42 29.52 110.57 129.03 -75.24 126.92 86.53 6.32 7.14 56.80 18.36 10.17 5.61 1.66 0.01 1.98 5.40 79 H C C 58.90 15.54 14.03 29.52 119.66 -150.02 -104.66 133.70 96.13 3.52 0.35 80.70 14.06 1.26 0.15 0.19 0.00 1.62 2.02 80 P C S 69.47 8.43 18.13 27.34 102.69 -118.75 -68.45 63.92 98.72 1.08 0.21 35.81 58.75 4.28 0.04 0.17 0.00 0.58 0.37 81 D C C 60.74 11.59 16.08 28.09 113.33 -69.99 -95.06 121.26 96.33 3.33 0.34 56.04 37.81 2.45 0.08 0.27 0.00 1.08 2.27 82 P C T 54.75 12.77 15.63 29.23 96.34 -150.04 -70.59 -12.78 96.83 1.59 1.58 29.38 25.96 41.28 0.17 1.75 0.00 0.77 0.70 83 Y C T 97.82 12.34 16.37 28.81 108.33 66.99 -93.16 73.08 90.16 7.33 2.51 29.49 24.28 36.94 0.38 2.29 0.00 3.65 2.96 84 I C C 70.19 10.16 16.65 27.76 119.31 135.21 -106.46 132.30 87.37 11.72 0.92 51.67 33.32 2.20 0.33 0.57 0.00 3.54 8.36 85 V C C 58.52 10.58 16.12 27.64 113.47 -122.85 -82.54 128.93 96.41 3.10 0.49 82.35 11.11 2.61 0.12 0.42 0.00 1.43 1.95 86 P C T 62.25 12.21 14.03 26.76 95.06 -137.38 -65.04 -21.63 98.13 0.31 1.56 4.68 10.21 82.97 0.19 1.60 0.00 0.18 0.16 87 W C T 161.38 5.40 16.30 22.64 97.83 53.43 -93.75 0.01 96.97 0.98 2.05 5.08 10.33 81.22 0.27 2.05 0.00 0.62 0.44 88 A C S 38.74 10.03 12.01 23.53 120.18 101.48 -85.67 145.11 93.72 4.29 1.99 25.54 62.11 5.62 0.32 1.59 0.00 1.57 3.26 89 P C T 94.99 4.71 14.67 20.73 109.89 -90.51 -61.60 137.94 94.98 1.03 3.98 6.14 10.49 77.76 0.41 3.97 0.00 0.59 0.62 90 G C T 56.30 2.69 15.91 18.96 97.58 17.71 86.08 -2.76 94.90 0.81 4.29 7.94 11.36 75.11 0.53 4.13 0.00 0.49 0.44 91 G C C 22.54 12.40 10.82 23.67 124.50 125.28 -84.42 170.57 90.48 5.10 4.42 50.79 29.82 9.21 1.08 3.21 0.00 1.73 4.14 92 S C C 40.09 8.23 16.31 25.89 126.86 -106.08 -112.27 160.51 85.99 7.99 6.02 61.17 16.71 6.78 2.37 3.62 0.00 2.84 6.50 93 K C T 111.02 9.89 15.26 25.73 92.91 -117.28 -64.76 -24.71 65.76 2.63 31.61 12.89 19.22 34.54 8.37 21.85 0.10 1.31 1.71 94 F C T 111.44 8.34 15.66 24.81 93.19 62.56 -75.44 -18.39 64.09 3.21 32.70 12.31 14.67 37.73 9.28 22.32 0.14 1.73 1.81 95 C C C 64.78 8.92 15.57 25.22 99.31 57.84 -86.85 -10.01 62.43 7.39 30.18 27.30 16.19 20.99 9.28 18.89 0.17 3.67 3.50 96 R C C 104.31 11.10 14.69 26.02 102.48 72.29 -87.03 -1.97 74.21 10.62 15.17 41.92 19.76 12.65 6.48 8.03 0.09 4.41 6.67 97 N C C 71.56 10.56 13.88 25.14 112.70 62.69 -111.91 109.16 93.83 5.65 0.52 65.45 27.27 1.25 0.22 0.30 0.00 2.31 3.20 98 P C C 63.49 8.82 14.17 24.35 116.97 -139.65 -70.19 151.11 98.18 1.71 0.11 88.57 9.08 0.53 0.03 0.06 0.00 0.79 0.93 99 T C C 102.02 2.98 16.79 20.94 114.32 -101.57 -75.75 139.71 99.46 0.51 0.02 94.77 4.60 0.13 0.01 0.01 0.00 0.18 0.31 100 P C C 56.54 14.65 9.15 23.31 116.56 -108.42 -68.71 149.00 99.76 0.20 0.04 97.92 1.77 0.10 0.01 0.01 0.00 0.06 0.12 101 P C C 66.87 6.23 11.84 20.01 115.14 -102.41 -65.36 153.76 98.92 0.34 0.74 95.68 1.80 1.51 0.15 0.46 0.00 0.12 0.28 102 A C T 100.56 0.80 12.57 13.14 108.56 -85.45 -64.21 137.87 95.42 0.35 4.23 3.71 10.99 80.75 0.91 3.19 0.00 0.19 0.26 103 G C T 59.59 1.65 13.01 14.88 99.24 18.63 84.75 -2.02 95.32 0.79 3.89 6.15 8.99 80.21 0.78 3.06 0.00 0.57 0.24 104 I C C 61.63 13.47 7.86 21.07 117.43 117.37 -94.94 131.37 80.27 16.08 3.64 67.84 9.89 2.00 1.81 2.08 0.01 10.22 6.15 105 E C C 125.78 3.13 16.80 20.91 117.71 -153.81 -104.03 132.87 71.57 24.12 4.31 66.62 3.17 1.46 2.37 1.72 0.00 21.52 3.14 106 I C C 71.52 13.82 11.87 25.75 115.08 -143.07 -91.47 128.18 58.52 31.59 9.89 49.46 5.59 2.86 5.70 4.14 0.02 28.28 3.95 107 V C C 68.22 8.37 15.17 24.78 112.80 -162.74 -99.63 121.92 60.22 27.57 12.21 44.96 9.85 5.34 6.77 5.68 0.08 22.28 5.04 108 Y C C 108.44 9.09 13.79 23.78 115.52 -112.55 -99.47 127.94 68.25 18.14 13.61 44.47 14.33 10.26 5.85 7.48 0.08 13.69 3.83 109 N C C 84.39 7.73 14.44 23.14 104.13 -123.67 -88.68 51.22 77.44 7.17 15.38 38.92 17.02 22.63 4.96 9.61 0.07 4.29 2.50 110 Y C T 111.65 9.61 13.25 23.50 99.86 -124.38 -82.16 16.29 81.37 2.87 15.76 15.79 17.14 48.56 4.75 10.59 0.04 1.56 1.57 111 G C T 38.35 7.25 14.04 22.48 101.73 -79.39 83.11 3.01 80.41 5.76 13.82 23.20 19.11 39.15 3.78 9.15 0.03 3.39 2.18 112 L C C 78.37 7.93 11.70 21.11 110.30 126.92 -89.07 125.88 70.97 14.62 14.41 42.67 14.39 13.94 5.07 9.25 0.06 8.36 6.27 113 E C C 115.46 5.77 10.92 18.22 107.64 -152.21 -85.93 78.25 76.74 12.07 11.19 38.47 17.62 22.07 3.53 7.01 0.04 7.32 3.94 114 D C C 114.27 2.16 11.76 15.07 106.70 38.03 -88.74 55.96 88.80 5.64 5.56 45.96 24.45 18.81 1.31 4.24 0.00 3.13 2.10 115 N C C 91.64 6.27 8.63 16.49 115.12 -131.93 -96.00 122.69 99.19 0.73 0.07 95.06 3.81 0.41 0.03 0.03 0.00 0.38 0.29 116 P C C 93.88 3.95 12.71 18.16 107.70 -112.65 -67.79 139.53 99.92 0.06 0.02 99.62 0.22 0.11 0.01 0.00 0.00 0.03 0.01