# 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 S C C 54.55 6.88 20.63 27.59 106.27 -143.23 -88.51 81.89 99.84 0.09 0.07 99.80 0.07 0.03 0.04 0.00 0.00 0.03 0.02 1 I H H 24.13 20.94 13.71 33.60 94.36 97.07 -67.64 -35.03 15.99 0.09 83.92 11.67 0.64 3.37 83.59 0.66 0.00 0.03 0.04 2 N H H 70.35 12.52 16.32 28.72 92.13 56.96 -62.87 -41.16 5.23 0.02 94.75 1.81 0.63 2.50 94.40 0.64 0.00 0.01 0.01 3 Q H H 120.93 1.64 20.91 21.17 91.86 50.55 -65.93 -39.61 1.71 0.01 98.28 0.58 0.21 0.84 97.72 0.65 0.00 0.00 0.00 4 K H H 74.57 10.57 19.19 30.13 91.98 49.55 -65.78 -40.94 0.80 0.00 99.19 0.25 0.09 0.40 98.94 0.31 0.00 0.00 0.00 5 L H H 6.28 24.52 15.10 39.61 91.45 50.71 -63.79 -42.31 0.52 0.00 99.47 0.15 0.05 0.25 99.39 0.15 0.00 0.00 0.00 6 A H H 43.56 7.69 20.86 29.39 91.33 52.70 -62.38 -41.36 0.63 0.01 99.36 0.16 0.05 0.35 99.31 0.13 0.00 0.00 0.00 7 L H H 80.26 3.26 22.88 25.47 91.78 50.39 -64.36 -41.72 0.63 0.02 99.35 0.15 0.06 0.37 99.23 0.18 0.00 0.01 0.00 8 V H H 13.35 17.74 16.10 34.49 91.91 49.77 -64.53 -42.53 0.89 0.13 98.99 0.26 0.10 0.49 98.75 0.30 0.01 0.08 0.01 9 I H H 45.00 17.49 15.05 31.84 92.04 49.81 -64.37 -40.75 1.60 0.13 98.27 0.39 0.14 0.99 97.72 0.65 0.01 0.09 0.02 10 K H H 155.91 1.50 19.27 20.32 91.43 51.93 -66.36 -31.38 6.12 0.06 93.81 0.44 0.33 5.31 93.22 0.62 0.02 0.03 0.02 11 S C H 67.26 4.24 16.99 21.96 93.50 49.29 -84.28 -10.16 50.54 0.07 49.39 0.68 1.88 46.79 49.70 0.86 0.02 0.02 0.04 12 G C T 33.66 10.46 15.95 26.93 98.17 -109.47 81.92 9.49 99.57 0.23 0.20 3.45 17.24 78.95 0.06 0.08 0.00 0.20 0.03 13 K C C 102.10 8.83 20.97 30.05 105.66 112.79 -93.43 19.27 83.20 16.68 0.12 59.05 22.15 0.91 0.02 0.12 0.00 17.41 0.34 14 Y E E 38.51 21.34 16.52 37.07 128.45 77.16 -124.42 140.80 12.99 86.91 0.11 11.19 1.75 0.13 0.04 0.06 0.00 85.65 1.17 15 T E E 30.26 14.74 23.61 38.36 125.36 -165.41 -120.57 139.01 5.55 94.42 0.03 5.70 0.14 0.01 0.02 0.01 0.00 93.08 1.03 16 L E E 49.44 17.38 22.15 38.31 123.33 -162.40 -120.50 132.31 19.02 80.94 0.03 16.73 1.77 0.08 0.01 0.02 0.00 80.71 0.67 17 G C S 16.44 10.84 25.24 37.06 124.21 21.67 95.82 162.41 93.66 3.00 3.35 17.96 72.74 2.77 3.86 0.33 0.00 1.60 0.73 18 Y H H 52.00 20.98 17.02 36.81 92.29 -88.94 -61.18 -39.91 3.30 0.01 96.68 0.40 0.90 1.79 96.62 0.29 0.00 0.00 0.01 19 K H H 131.85 3.72 23.60 28.00 91.50 51.54 -62.96 -41.67 1.37 0.00 98.63 0.10 0.14 1.01 98.46 0.29 0.00 0.00 0.00 20 S H H 44.14 6.99 23.20 30.62 91.99 48.37 -65.92 -40.24 0.67 0.00 99.33 0.09 0.06 0.45 99.08 0.32 0.00 0.00 0.00 21 T H H 2.38 25.86 17.01 43.28 91.45 50.60 -64.10 -43.59 0.31 0.00 99.69 0.04 0.02 0.18 99.66 0.09 0.00 0.00 0.00 22 V H H 21.38 18.63 21.63 39.65 91.30 49.60 -63.43 -42.77 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 23 K H H 112.41 2.50 26.51 27.86 91.56 50.19 -63.53 -42.00 0.11 0.00 99.89 0.01 0.01 0.07 99.88 0.03 0.00 0.00 0.00 24 S H H 15.22 12.69 19.95 34.00 91.46 50.01 -63.94 -42.15 0.21 0.00 99.79 0.02 0.01 0.14 99.74 0.09 0.00 0.00 0.00 25 L H H 4.70 25.33 14.70 40.21 91.33 49.96 -63.82 -42.62 0.36 0.00 99.64 0.02 0.01 0.29 99.41 0.27 0.00 0.00 0.00 26 R H H 126.58 8.71 19.52 28.93 91.19 51.22 -64.53 -33.99 2.56 0.00 97.44 0.04 0.05 2.56 97.06 0.28 0.00 0.00 0.00 27 Q C T 119.94 2.14 20.53 21.81 92.13 52.23 -83.94 -6.16 70.94 0.01 29.05 0.19 0.86 69.61 28.81 0.52 0.00 0.00 0.01 28 G C T 37.81 11.42 15.08 26.84 95.16 -112.76 79.06 12.19 99.75 0.00 0.24 0.58 2.15 97.13 0.10 0.04 0.00 0.00 0.00 29 K C S 116.55 5.04 21.89 27.62 95.26 123.11 -84.38 -15.77 99.69 0.24 0.07 47.33 51.13 1.25 0.02 0.05 0.00 0.09 0.12 30 S C C 6.39 24.23 13.21 37.18 123.55 68.48 -106.70 142.91 95.51 4.43 0.06 86.13 8.61 0.56 0.00 0.09 0.00 4.37 0.25 31 K C S 89.65 10.12 26.43 37.46 99.96 -169.28 -95.97 -24.67 93.86 6.13 0.01 13.51 80.11 0.22 0.00 0.01 0.00 6.07 0.08 32 L E E 9.84 21.66 26.10 47.02 133.91 21.20 -141.31 141.34 2.27 97.72 0.01 1.61 0.56 0.02 0.00 0.00 0.00 97.74 0.05 33 I E E 1.37 26.89 27.27 53.95 120.86 -161.73 -118.18 127.54 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 34 I E E 1.89 25.91 29.17 54.56 116.80 -160.50 -108.38 124.65 0.02 99.98 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.98 0.00 35 I E E 4.68 24.48 26.65 50.07 129.28 -175.40 -124.82 145.74 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.01 36 A E E 5.46 21.63 20.92 42.91 114.41 -114.56 -73.37 142.81 20.73 79.26 0.01 19.76 0.52 0.04 0.00 0.01 0.00 79.46 0.21 37 A C T 48.06 11.28 21.35 33.11 93.05 -124.65 -64.55 -26.33 90.73 8.88 0.39 4.77 29.19 57.04 0.02 0.42 0.00 8.17 0.39 38 N C T 99.74 4.52 22.25 27.53 95.56 58.29 -91.36 8.28 97.96 1.75 0.28 9.25 36.19 52.57 0.02 0.35 0.00 1.44 0.19 39 T C S 12.81 22.96 8.91 30.74 118.04 119.66 -76.04 143.39 98.70 1.17 0.13 47.90 50.71 0.25 0.06 0.04 0.00 0.36 0.67 40 P C C 63.27 4.14 18.45 23.25 114.18 -102.08 -63.17 148.09 99.71 0.10 0.20 99.15 0.52 0.11 0.12 0.02 0.00 0.03 0.06 41 V H H 106.46 4.06 13.62 19.65 91.76 -113.07 -57.70 -37.79 9.32 0.03 90.65 1.53 1.35 6.05 84.15 6.88 0.01 0.01 0.02 42 L H H 116.26 1.61 17.23 18.32 91.86 54.70 -64.37 -38.27 7.05 0.03 92.92 1.04 0.80 4.86 85.59 7.67 0.01 0.01 0.01 43 R H H 70.90 13.54 15.49 29.12 92.55 48.37 -69.52 -35.98 4.97 0.05 94.98 1.42 0.61 2.63 86.52 8.76 0.00 0.03 0.01 44 K H H 59.24 17.23 15.26 31.63 91.61 55.08 -61.81 -42.22 4.21 0.03 95.76 1.23 0.54 2.15 93.54 2.52 0.00 0.01 0.01 45 S H H 60.85 2.55 22.97 24.32 91.85 51.46 -63.98 -41.15 5.89 0.02 94.10 0.72 0.45 4.15 93.16 1.51 0.00 0.01 0.01 46 E H H 78.96 6.94 22.49 29.83 91.58 50.30 -64.59 -41.19 3.39 0.01 96.60 0.50 0.27 2.34 96.06 0.82 0.00 0.00 0.00 47 L H H 2.51 26.25 15.75 42.57 91.31 50.06 -64.22 -42.60 0.42 0.00 99.57 0.09 0.03 0.21 99.53 0.14 0.00 0.00 0.00 48 E H H 77.52 12.76 21.50 33.65 91.37 52.22 -62.09 -42.12 0.11 0.00 99.89 0.02 0.00 0.06 99.88 0.04 0.00 0.00 0.00 49 Y H H 130.41 1.96 25.00 24.90 91.57 49.78 -63.50 -42.51 0.10 0.00 99.90 0.01 0.00 0.06 99.88 0.05 0.00 0.00 0.00 50 Y H H 42.58 13.58 20.36 34.51 92.08 48.84 -64.75 -42.46 0.12 0.00 99.88 0.01 0.00 0.08 99.84 0.07 0.00 0.00 0.00 51 A H H 4.29 22.77 13.64 36.68 91.67 50.78 -63.48 -42.30 0.41 0.00 99.59 0.03 0.02 0.30 99.47 0.17 0.00 0.00 0.00 52 M H H 115.56 3.72 19.70 24.19 91.87 49.62 -64.55 -39.97 1.70 0.00 98.30 0.08 0.08 1.45 98.00 0.40 0.00 0.00 0.00 53 L H H 107.53 3.17 19.04 22.54 91.75 51.19 -66.65 -34.46 6.72 0.00 93.27 0.21 0.33 5.94 93.12 0.39 0.00 0.00 0.00 54 S H H 29.73 14.46 13.84 28.74 95.20 47.38 -88.43 -2.54 49.04 0.10 50.86 2.12 4.97 39.63 52.27 0.88 0.02 0.03 0.08 55 K C T 164.49 1.51 20.39 21.51 93.77 -123.77 59.13 37.23 99.59 0.06 0.35 13.29 5.47 80.94 0.16 0.09 0.00 0.03 0.02 56 T C C 18.18 21.02 11.47 31.87 124.54 143.16 -105.32 147.43 98.89 1.09 0.02 89.53 9.14 0.27 0.00 0.02 0.00 0.96 0.08 57 K C C 112.47 4.67 25.07 30.12 111.16 -108.51 -72.69 133.77 59.30 40.66 0.05 55.57 1.81 0.16 0.01 0.04 0.00 42.12 0.31 58 V E E 26.18 23.64 13.69 36.74 123.68 -161.47 -119.28 133.64 4.72 95.28 0.00 4.58 0.14 0.00 0.00 0.00 0.00 94.93 0.34 59 Y E E 66.59 11.99 24.19 36.29 122.26 -167.24 -116.06 133.81 0.59 99.41 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.40 0.04 60 Y E E 98.51 14.40 21.31 34.94 118.40 -151.60 -102.55 128.84 2.73 97.27 0.00 2.62 0.07 0.01 0.00 0.00 0.00 97.20 0.10 61 F E E 31.70 19.58 14.06 33.30 122.49 -166.32 -107.81 137.64 44.38 55.53 0.10 41.69 1.39 0.18 0.02 0.06 0.00 56.11 0.55 62 Q C C 135.75 2.72 21.34 23.99 102.65 -153.37 -92.28 25.97 85.40 14.20 0.40 47.21 31.10 6.42 0.06 0.38 0.00 14.27 0.56 63 G C S 26.54 9.13 18.60 28.42 134.87 63.56 152.49 -174.03 94.16 4.82 1.01 22.67 63.07 8.80 0.22 0.69 0.00 3.64 0.91 64 G C C 24.75 8.12 22.55 30.98 129.73 -92.79 -106.91 171.61 93.96 2.11 3.93 75.06 16.47 2.17 3.39 0.82 0.00 0.83 1.25 65 N H H 40.51 20.56 15.44 35.04 92.66 -91.67 -61.97 -36.76 7.40 0.05 92.55 1.60 2.11 3.85 91.23 1.15 0.02 0.02 0.03 66 N H H 91.67 6.20 21.84 28.71 92.36 54.27 -64.81 -40.29 4.22 0.04 95.75 0.73 0.63 2.81 94.56 1.21 0.02 0.02 0.01 67 E H H 90.37 5.51 23.46 29.02 92.35 49.04 -66.27 -40.34 2.16 0.06 97.78 0.57 0.32 1.31 96.44 1.30 0.01 0.03 0.01 68 L H H 5.23 23.30 16.19 39.75 91.93 51.00 -64.13 -43.08 1.08 0.03 98.89 0.23 0.15 0.67 98.19 0.75 0.00 0.01 0.00 69 G H H 8.29 15.97 16.85 33.70 91.52 51.48 -62.69 -42.11 1.85 0.03 98.12 0.36 0.19 1.22 97.25 0.96 0.01 0.02 0.00 70 T H H 92.71 2.18 21.95 23.22 91.98 50.03 -65.61 -40.43 2.32 0.02 97.66 0.31 0.21 1.68 96.25 1.52 0.01 0.01 0.00 71 A H H 43.34 11.53 17.69 29.58 92.26 52.01 -67.25 -35.32 5.97 0.04 93.99 0.32 0.43 5.21 92.78 1.21 0.02 0.01 0.01 72 V H H 27.41 17.96 14.43 32.32 95.97 38.27 -91.38 -5.65 46.38 0.08 53.54 0.83 2.27 42.82 52.40 1.57 0.03 0.03 0.06 73 G C T 57.94 1.89 20.17 21.25 94.52 -115.23 76.56 14.82 98.84 0.04 1.12 4.20 6.32 88.56 0.53 0.35 0.00 0.02 0.02 74 K C S 77.98 10.30 12.80 24.36 131.83 109.53 -121.86 157.20 98.32 0.78 0.90 42.29 52.67 3.37 0.32 0.53 0.00 0.28 0.54 75 L C C 118.55 3.83 17.95 22.70 98.46 -128.98 -80.37 -6.12 96.67 1.62 1.71 54.16 38.47 4.02 0.39 1.37 0.00 0.72 0.87 76 F C C 68.45 12.47 17.50 30.40 130.80 64.69 -124.81 153.54 94.63 2.90 2.47 49.63 39.36 5.60 0.49 2.19 0.00 1.63 1.10 77 R C C 111.50 10.53 23.91 34.15 109.85 -103.72 -77.64 126.04 90.00 7.93 2.08 63.24 21.47 5.12 0.38 1.97 0.00 6.29 1.53 78 V C C 9.11 24.42 18.27 42.53 123.68 -161.93 -115.56 137.28 73.61 25.56 0.83 65.59 6.66 0.97 0.27 0.62 0.00 23.24 2.67 79 G C S 12.98 16.68 26.07 42.58 98.74 -172.96 -91.13 -32.56 74.63 25.07 0.30 23.34 50.10 1.08 0.05 0.20 0.00 24.89 0.35 80 V E E 11.91 21.17 26.98 47.52 132.35 13.17 -141.90 139.21 7.60 92.12 0.28 6.36 1.06 0.17 0.08 0.11 0.00 91.98 0.24 81 V E E 3.13 26.18 26.00 51.65 123.60 -166.49 -122.75 131.87 1.26 98.62 0.12 1.15 0.08 0.01 0.07 0.01 0.00 98.64 0.04 82 S E E 9.78 20.34 28.31 47.77 121.50 -163.18 -112.16 133.06 0.74 99.16 0.10 0.65 0.03 0.01 0.08 0.01 0.00 99.20 0.02 83 I E E 8.31 23.34 21.08 44.27 117.49 -161.26 -110.36 123.10 2.79 97.11 0.10 2.76 0.08 0.01 0.10 0.02 0.00 96.81 0.22 84 L C E 62.55 12.21 22.46 34.61 98.91 -168.11 -84.66 -29.21 59.45 39.59 0.96 27.54 29.77 2.55 0.38 0.51 0.00 38.63 0.62 85 E C S 95.26 5.96 22.65 28.93 123.61 23.70 -128.36 132.27 85.07 10.78 4.15 19.70 55.08 10.00 1.95 1.79 0.02 10.22 1.23 86 A C T 49.70 14.64 14.93 29.04 98.23 -125.79 -65.03 -24.84 65.83 2.16 32.01 14.45 16.09 35.31 21.90 9.87 0.12 1.40 0.87 87 G C T 37.35 6.07 19.80 26.45 96.03 56.45 -36.37 -38.88 61.56 1.11 37.33 15.58 11.97 34.23 28.30 8.67 0.08 0.63 0.55 88 D H H 54.82 12.45 17.17 29.69 95.22 52.68 -80.10 -18.07 39.83 0.95 59.22 23.23 6.70 10.74 49.20 9.21 0.02 0.51 0.39 89 S H H 22.31 17.89 13.62 31.06 95.37 73.68 -66.71 -35.72 21.57 0.61 77.82 10.49 4.44 7.79 69.26 7.41 0.03 0.34 0.22 90 D H H 92.13 2.90 21.61 24.00 93.35 58.98 -66.91 -31.74 15.93 0.61 83.46 7.31 3.14 6.55 74.54 7.84 0.04 0.39 0.19 91 I H H 53.39 9.94 16.57 27.72 93.00 56.53 -66.70 -40.01 11.81 0.74 87.45 4.97 2.18 5.39 78.49 8.17 0.05 0.58 0.17 92 L H H 31.87 18.56 12.58 30.50 93.04 53.64 -67.24 -37.02 12.67 1.10 86.24 4.97 2.15 5.97 76.74 8.98 0.05 0.90 0.22 93 T H H 86.90 5.33 15.20 21.81 93.84 55.13 -70.99 -26.42 28.31 1.51 70.18 7.22 3.73 17.32 62.79 7.31 0.10 1.10 0.43 94 T C H 100.79 2.01 13.79 16.19 97.84 55.26 -83.15 -9.34 52.07 0.93 47.00 18.88 1.97 30.20 43.66 4.31 0.01 0.51 0.46 95 L C C 76.23 12.64 11.12 23.51 105.61 97.59 -80.20 73.27 99.90 0.04 0.06 99.73 0.10 0.09 0.05 0.00 0.00 0.01 0.00