# 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 G C C 37.91 7.04 16.02 23.84 123.68 -98.96 91.69 -174.99 99.91 0.07 0.02 99.71 0.17 0.07 0.01 0.00 0.00 0.03 0.01 1 A C C 74.00 5.36 14.81 21.21 104.74 -58.18 -75.48 62.49 87.19 2.39 10.42 69.02 3.21 16.22 3.55 5.45 0.00 1.52 1.03 2 M C C 95.96 10.71 11.00 21.87 107.52 59.10 -87.12 62.99 80.40 7.26 12.34 43.97 14.51 22.52 3.32 8.62 0.02 4.27 2.78 3 S C C 70.60 5.83 13.93 21.21 112.19 128.98 -91.73 126.25 78.03 9.34 12.64 41.15 15.49 22.29 3.08 9.24 0.02 5.77 2.97 4 G C C 45.80 6.27 14.36 21.85 110.14 20.90 88.87 -1.54 82.77 8.16 9.07 42.52 18.60 22.30 2.17 6.81 0.01 4.98 2.62 5 R C C 144.23 5.97 14.91 22.14 109.87 100.60 -92.14 101.55 81.74 10.79 7.47 48.27 17.97 15.86 2.13 5.29 0.01 6.12 4.34 6 G C C 34.31 10.34 12.65 23.43 119.72 -109.12 82.78 165.84 86.48 8.04 5.48 46.95 21.70 18.16 1.21 4.39 0.00 4.50 3.08 7 K C C 147.13 3.57 15.70 20.60 108.47 -85.07 -86.32 115.53 84.76 7.88 7.37 39.09 20.76 25.64 1.48 5.75 0.01 4.30 2.98 8 G C C 48.77 5.34 15.03 21.58 107.80 12.14 86.17 -2.15 87.40 5.41 7.19 31.87 24.33 31.73 1.23 5.90 0.01 2.88 2.06 9 G C C 36.49 9.97 13.07 23.52 116.09 -57.54 69.51 165.88 85.78 6.81 7.41 41.29 24.92 19.89 1.40 6.15 0.01 3.57 2.80 10 K C C 136.62 4.51 16.15 21.97 111.10 -112.21 -94.68 116.96 81.33 10.86 7.81 43.41 20.04 18.36 1.87 5.97 0.02 5.85 4.49 11 G C C 38.14 8.98 13.97 23.54 114.98 -124.11 82.23 161.42 84.07 8.92 7.01 43.62 20.83 20.06 1.60 5.48 0.01 5.00 3.40 12 L C C 92.57 9.46 13.72 23.65 107.95 -56.90 -89.22 67.95 81.50 10.13 8.37 38.56 21.17 22.79 2.39 5.61 0.03 5.39 4.07 13 G C C 40.63 6.45 13.80 21.45 116.28 -22.93 85.50 -154.97 84.43 6.54 9.03 35.41 26.33 23.66 2.70 5.77 0.02 3.32 2.80 14 K C T 151.70 2.77 14.20 18.20 109.10 -59.01 -81.02 116.37 78.64 4.23 17.13 25.97 24.14 29.73 7.39 8.57 0.05 2.02 2.14 15 G C T 51.25 3.72 14.26 18.99 104.49 10.73 66.18 -17.16 76.76 2.20 21.04 20.31 21.97 35.33 10.96 9.06 0.04 1.03 1.29 16 G C C 37.51 7.53 14.01 22.54 108.03 -0.01 38.45 -45.33 66.30 2.43 31.26 28.43 18.81 20.50 19.85 9.92 0.06 1.05 1.38 17 A C H 47.34 10.67 12.54 23.87 106.73 23.57 -78.29 109.52 49.25 3.81 46.94 28.21 11.75 11.38 35.88 9.22 0.09 2.04 1.44 18 K H H 122.86 4.61 16.33 21.98 105.35 47.32 -78.62 31.96 39.35 5.31 55.34 25.26 7.80 8.77 44.98 8.16 0.08 3.46 1.49 19 R H H 123.44 6.51 16.60 24.04 101.78 51.92 -73.83 -29.04 32.63 4.65 62.72 22.35 5.82 6.99 54.00 6.44 0.05 3.23 1.13 20 H H H 64.16 14.61 14.73 29.07 98.41 52.45 -75.41 -27.02 27.69 2.72 69.59 20.19 4.25 5.51 63.15 4.41 0.02 1.80 0.66 21 R H H 105.12 11.12 16.81 28.02 97.64 55.20 -68.86 -37.88 15.55 1.33 83.12 10.75 2.45 3.79 78.03 3.74 0.02 0.96 0.27 22 K H H 112.35 4.90 19.49 24.70 96.43 51.53 -68.54 -37.24 10.62 1.48 87.90 6.46 1.71 3.43 82.82 4.07 0.02 1.24 0.24 23 I H H 51.00 11.53 16.98 29.33 96.95 50.63 -69.45 -39.32 9.16 1.59 89.24 5.18 1.44 3.26 84.22 4.20 0.03 1.44 0.23 24 L H H 37.21 16.76 14.87 31.29 95.88 50.88 -69.97 -36.89 10.98 1.34 87.68 5.91 1.81 4.20 81.93 4.74 0.04 1.11 0.26 25 R H H 118.67 8.95 17.67 26.95 95.60 53.05 -70.39 -34.89 15.42 0.96 83.62 6.08 2.64 7.68 77.00 5.57 0.08 0.67 0.28 26 D H H 90.81 4.60 18.38 23.58 97.86 49.39 -77.33 -25.93 25.40 0.66 73.95 6.23 4.02 15.80 66.41 6.74 0.14 0.38 0.28 27 N H H 70.71 10.78 17.36 28.17 101.71 39.42 -91.34 2.58 40.52 0.94 58.54 10.75 6.07 24.52 50.02 7.56 0.12 0.51 0.46 28 I C H 32.05 20.31 12.28 31.16 100.79 78.42 -89.26 7.12 54.68 4.26 41.06 24.74 8.59 22.80 30.38 9.04 0.17 2.30 1.98 29 Q C T 117.77 5.09 18.15 24.72 105.84 116.82 -72.46 104.57 78.37 2.68 18.94 12.07 7.54 57.64 14.55 5.32 0.09 1.56 1.24 30 G C T 47.37 5.33 19.63 25.37 99.53 24.08 82.00 -2.75 90.08 1.38 8.54 12.74 11.71 66.02 4.12 4.00 0.01 0.91 0.50 31 I C C 22.64 21.82 10.66 31.65 114.89 111.34 -90.21 127.38 93.29 5.07 1.64 77.48 14.35 1.12 1.21 0.51 0.00 2.04 3.29 32 T C C 65.79 4.94 22.54 27.25 123.03 -147.37 -91.68 159.06 95.31 3.15 1.54 92.91 2.05 0.45 1.39 0.18 0.00 1.03 1.98 33 K H H 99.04 12.89 15.22 27.95 92.74 -104.79 -58.69 -39.91 3.23 0.02 96.75 0.93 0.65 1.48 96.48 0.44 0.00 0.01 0.01 34 P H H 75.03 2.98 21.01 23.55 91.70 52.47 -63.21 -39.33 1.80 0.01 98.18 0.39 0.19 1.10 97.73 0.58 0.00 0.01 0.00 35 A H H 23.74 10.41 18.24 30.26 92.02 50.82 -64.82 -40.82 0.75 0.01 99.24 0.20 0.08 0.40 98.77 0.53 0.00 0.01 0.00 36 I H H 10.81 21.75 15.40 37.10 92.03 49.80 -64.53 -42.25 0.57 0.02 99.41 0.17 0.08 0.28 99.21 0.25 0.00 0.01 0.00 37 R H H 107.95 8.75 20.78 29.80 91.69 51.10 -63.59 -41.19 1.01 0.03 98.96 0.30 0.12 0.52 98.86 0.17 0.00 0.02 0.00 38 R H H 121.54 3.08 22.61 25.00 91.94 50.17 -64.66 -41.91 1.45 0.05 98.49 0.38 0.19 0.82 98.32 0.24 0.01 0.03 0.01 39 L H H 30.29 13.21 17.76 31.97 92.36 50.07 -65.05 -41.49 2.22 0.12 97.66 0.61 0.32 1.29 97.17 0.51 0.01 0.06 0.03 40 A H H 18.07 15.97 14.01 30.43 92.27 51.40 -64.98 -39.33 5.38 0.15 94.47 1.30 0.52 3.45 93.42 1.15 0.02 0.09 0.03 41 R H H 157.74 2.67 17.66 21.04 92.78 51.12 -66.89 -35.86 13.18 0.24 86.58 1.93 1.27 9.99 84.83 1.70 0.06 0.13 0.09 42 R H H 153.21 2.87 15.58 19.16 95.04 54.59 -74.73 -20.37 33.99 0.39 65.61 2.70 3.71 27.64 63.01 2.38 0.16 0.18 0.22 43 G C T 40.31 8.19 13.14 22.10 99.31 44.82 -85.14 -2.34 70.79 0.27 28.94 3.44 7.14 58.32 28.30 2.46 0.03 0.11 0.20 44 G C T 52.17 3.16 16.41 20.05 100.42 -111.94 81.07 10.03 95.98 0.63 3.39 28.80 16.41 51.17 1.62 1.43 0.00 0.34 0.23 45 V C C 46.47 15.49 9.33 24.28 114.57 138.31 -87.66 130.88 89.80 5.74 4.45 78.71 8.08 2.98 2.30 2.06 0.00 3.65 2.21 46 K C C 148.76 2.52 17.54 20.65 104.72 -156.62 -88.92 -6.97 85.60 8.90 5.50 63.49 17.01 5.43 2.38 3.00 0.00 7.15 1.54 47 R C C 145.74 5.13 16.62 23.05 115.87 -18.17 -96.99 130.86 70.34 23.13 6.53 55.63 9.48 4.60 3.13 3.58 0.01 19.86 3.70 48 I C C 46.94 17.16 10.30 26.65 116.80 -160.59 -104.86 125.36 65.40 29.34 5.26 57.97 4.70 1.64 4.18 1.66 0.01 23.15 6.69 49 S C C 60.87 4.43 16.77 21.93 118.92 -126.39 -90.30 162.68 82.99 11.07 5.94 75.18 4.99 2.53 5.02 1.32 0.00 9.25 1.72 50 G H H 47.28 3.73 16.18 20.52 100.75 -20.24 -22.03 -53.78 35.83 0.94 63.23 7.43 11.01 19.27 56.11 5.08 0.22 0.45 0.43 51 L H H 101.26 3.18 16.63 20.12 94.13 39.95 -67.43 -36.60 22.26 0.45 77.28 4.23 3.72 15.13 71.14 5.18 0.16 0.24 0.21 52 I H H 46.63 11.52 15.51 27.97 92.42 52.98 -65.32 -40.74 12.63 0.47 86.90 4.51 2.01 7.07 81.53 4.37 0.06 0.29 0.16 53 Y H H 57.99 14.85 15.40 30.35 91.90 52.96 -63.19 -42.30 2.70 0.08 97.22 1.40 0.36 1.02 96.45 0.70 0.00 0.05 0.01 54 E H H 111.25 3.33 20.72 24.13 91.88 50.36 -64.63 -41.05 0.86 0.03 99.10 0.36 0.09 0.37 98.92 0.24 0.00 0.02 0.00 55 E H H 95.74 4.64 21.29 25.99 91.99 48.91 -65.70 -41.15 0.64 0.02 99.33 0.22 0.06 0.32 99.21 0.17 0.00 0.01 0.00 56 V H H 18.16 17.77 17.57 35.51 92.05 48.96 -65.01 -42.42 0.52 0.01 99.47 0.14 0.04 0.28 99.44 0.09 0.00 0.00 0.00 57 R H H 77.43 14.21 19.64 33.32 91.76 51.47 -62.76 -41.67 0.25 0.00 99.74 0.06 0.02 0.13 99.76 0.04 0.00 0.00 0.00 58 A H H 54.27 3.13 23.24 25.63 91.50 50.37 -63.98 -41.54 0.24 0.00 99.76 0.03 0.01 0.15 99.78 0.03 0.00 0.00 0.00 59 V H H 51.46 8.56 21.83 30.97 91.82 49.43 -64.86 -42.59 0.16 0.00 99.83 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 60 L H H 15.45 20.34 18.03 38.33 91.79 49.87 -64.62 -42.33 0.10 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 61 K H H 89.86 10.59 21.23 31.75 91.65 51.52 -62.93 -41.44 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 62 S H H 57.49 3.20 23.64 25.96 91.65 50.21 -64.71 -41.64 0.17 0.00 99.83 0.01 0.00 0.12 99.83 0.03 0.00 0.00 0.00 63 F H H 57.64 12.67 21.17 33.77 92.00 48.97 -65.28 -42.18 0.20 0.00 99.80 0.01 0.01 0.14 99.82 0.03 0.00 0.00 0.00 64 L H H 19.89 19.91 18.49 38.24 91.77 49.77 -64.78 -42.10 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 65 E H H 90.19 7.22 22.63 30.16 91.65 51.46 -63.19 -41.17 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 66 S H H 47.59 5.11 23.41 28.67 91.82 50.02 -65.25 -41.13 0.37 0.00 99.63 0.02 0.01 0.27 99.67 0.03 0.00 0.00 0.00 67 V H H 20.37 17.20 20.10 37.40 91.92 49.28 -65.23 -43.15 0.55 0.00 99.45 0.05 0.03 0.36 99.51 0.05 0.00 0.00 0.00 68 I H H 34.08 16.66 20.42 36.74 91.60 50.28 -63.82 -42.70 0.55 0.00 99.44 0.11 0.04 0.30 99.45 0.10 0.00 0.00 0.00 69 R H H 130.28 3.50 24.89 28.21 91.43 50.14 -63.62 -41.81 0.73 0.01 99.26 0.12 0.06 0.45 99.23 0.14 0.00 0.00 0.00 70 D H H 56.32 8.00 23.34 31.71 91.87 48.47 -65.69 -40.83 1.44 0.01 98.55 0.23 0.11 0.97 98.48 0.20 0.00 0.00 0.00 71 S H H 9.00 19.67 18.08 38.04 92.01 51.10 -63.99 -42.00 1.98 0.02 98.00 0.38 0.18 1.27 97.82 0.33 0.00 0.01 0.00 72 V H H 50.34 10.14 21.58 32.16 91.59 50.25 -64.25 -42.19 2.86 0.06 97.08 0.65 0.36 1.73 96.75 0.46 0.01 0.03 0.02 73 T H H 69.11 2.92 23.79 25.65 91.66 49.67 -64.33 -42.37 4.60 0.15 95.25 1.23 0.61 2.71 94.64 0.67 0.02 0.09 0.03 74 Y H H 54.70 11.85 18.87 31.50 92.52 48.47 -65.96 -41.22 5.90 0.28 93.82 1.76 0.94 3.43 92.30 1.28 0.04 0.17 0.07 75 T H H 20.23 15.74 14.37 30.72 92.20 51.41 -65.21 -38.96 8.67 0.29 91.04 3.08 1.22 4.51 89.08 1.83 0.03 0.18 0.08 76 E H H 121.90 2.87 18.78 21.87 92.46 51.69 -64.98 -38.76 14.18 0.20 85.62 2.62 1.58 9.71 83.90 1.97 0.04 0.11 0.07 77 H H H 126.52 2.72 16.86 19.69 93.74 48.08 -74.71 -25.86 24.66 0.26 75.07 3.45 3.31 17.95 73.24 1.74 0.07 0.11 0.14 78 A C H 35.81 13.02 9.85 22.94 100.09 63.50 -82.99 -4.13 64.85 0.80 34.36 16.79 14.14 32.65 33.46 2.16 0.03 0.27 0.49 79 K C T 174.69 0.85 16.39 16.03 95.91 -130.84 37.00 20.74 89.47 0.48 10.05 22.57 14.87 52.06 7.69 2.32 0.00 0.20 0.28 80 R C C 103.64 8.15 11.09 20.69 124.61 106.21 -111.56 148.19 90.62 1.30 8.08 51.86 22.50 16.42 4.53 3.33 0.00 0.55 0.81 81 K C S 154.98 2.97 15.41 19.62 97.24 -146.05 -83.84 -14.65 94.60 1.82 3.58 32.74 52.83 9.33 1.73 1.70 0.00 1.13 0.54 82 T C C 79.41 4.36 19.40 24.64 128.63 41.29 -130.49 144.87 74.78 21.51 3.71 44.15 25.16 6.28 1.98 2.02 0.02 16.68 3.71 83 V C C 20.88 21.53 11.47 32.50 117.58 -152.58 -108.43 128.68 70.69 28.00 1.31 62.75 6.90 0.45 1.20 0.34 0.00 20.26 8.10 84 T C C 56.18 5.89 23.75 29.58 125.61 -150.86 -95.84 164.29 85.85 13.21 0.94 85.10 1.56 0.22 0.90 0.12 0.00 10.30 1.80 85 S H H 43.88 15.30 16.24 31.36 91.20 -102.91 -58.27 -38.80 2.92 0.02 97.07 0.53 0.45 1.73 96.83 0.44 0.00 0.00 0.00 86 L H H 84.29 6.40 22.32 28.81 91.49 54.27 -63.71 -39.45 1.00 0.00 99.00 0.13 0.08 0.68 98.80 0.31 0.00 0.00 0.00 87 D H H 36.33 13.26 20.95 34.37 91.87 50.43 -65.24 -40.75 0.30 0.00 99.70 0.06 0.02 0.18 99.47 0.27 0.00 0.00 0.00 88 V H H 7.80 22.92 18.80 41.58 91.69 49.54 -64.51 -43.61 0.13 0.00 99.87 0.02 0.01 0.08 99.81 0.09 0.00 0.00 0.00 89 V H H 39.92 12.02 22.40 34.71 91.69 49.72 -63.48 -43.28 0.15 0.00 99.85 0.02 0.01 0.10 99.83 0.06 0.00 0.00 0.00 90 Y H H 89.72 5.28 24.48 30.03 91.63 49.17 -64.03 -42.29 0.26 0.00 99.74 0.03 0.01 0.18 99.69 0.09 0.00 0.00 0.00 91 A H H 8.84 15.36 18.37 35.18 91.56 50.59 -62.82 -43.05 0.60 0.00 99.40 0.06 0.03 0.41 99.29 0.19 0.00 0.00 0.00 92 L H H 21.16 17.04 16.52 34.00 92.07 49.69 -64.14 -41.49 1.72 0.01 98.26 0.26 0.14 1.16 97.85 0.57 0.00 0.00 0.00 93 K H H 124.21 4.54 18.28 23.80 92.00 50.55 -64.90 -39.62 4.32 0.02 95.66 0.57 0.33 3.13 94.70 1.24 0.01 0.01 0.01 94 R H H 143.79 3.95 16.68 21.72 92.67 51.05 -68.79 -31.79 12.68 0.07 87.25 1.03 0.95 10.44 86.21 1.29 0.03 0.03 0.03 95 Q H H 86.17 8.99 13.64 23.49 95.73 48.08 -88.04 -5.52 49.75 0.26 49.98 3.17 4.73 40.26 49.90 1.62 0.05 0.09 0.17 96 G C T 54.84 2.93 15.93 19.67 98.16 -112.99 80.15 11.82 96.12 0.44 3.44 22.58 11.27 62.73 2.12 0.93 0.00 0.22 0.16 97 R C C 108.83 8.67 13.17 23.10 121.35 127.14 -101.72 141.85 94.04 2.86 3.11 79.74 11.29 2.93 1.72 1.32 0.00 1.43 1.56 98 T C C 73.13 7.46 15.96 24.54 119.41 -138.51 -98.34 141.90 91.15 5.71 3.14 84.26 4.39 2.33 1.50 1.38 0.00 3.05 3.09 99 L C C 67.39 14.52 13.08 27.09 103.87 -134.37 -79.75 -1.02 84.44 6.83 8.73 36.42 26.04 22.92 2.41 5.64 0.03 3.20 3.34 100 Y C T 127.48 8.45 14.67 23.63 107.61 45.90 -90.36 88.01 85.65 5.62 8.73 16.95 27.25 41.84 2.31 5.98 0.04 3.05 2.59 101 G C C 52.31 3.95 14.32 19.49 102.88 -24.44 81.75 1.62 89.48 4.02 6.50 34.75 25.59 29.48 1.23 5.19 0.00 2.04 1.72 102 F C C 115.59 7.89 10.19 19.15 107.48 108.18 -94.02 53.57 89.68 6.18 4.14 58.31 15.01 16.24 1.17 2.83 0.00 3.05 3.38 103 G C C 52.65 3.53 12.76 17.89 108.90 -43.08 93.34 8.92 95.49 2.86 1.65 77.29 4.96 13.43 0.41 1.01 0.00 1.79 1.11 104 G C C 47.59 5.30 14.06 20.85 113.14 -55.79 92.38 -3.99 99.79 0.17 0.03 99.26 0.42 0.17 0.01 0.01 0.00 0.10 0.03