# 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 118.30 5.54 12.39 19.49 115.99 -164.23 -98.89 128.59 99.68 0.30 0.02 99.58 0.14 0.06 0.01 0.00 0.00 0.17 0.03 1 G C C 48.44 3.93 10.68 16.31 120.46 -135.73 -123.09 171.18 93.23 4.79 1.97 87.80 2.04 3.64 0.86 0.79 0.00 3.49 1.39 2 H C C 145.63 2.73 9.81 14.39 115.31 -107.52 -95.30 133.27 86.57 8.63 4.80 66.37 13.50 6.63 2.10 2.76 0.00 6.38 2.25 3 H C C 129.40 4.42 9.16 15.57 116.12 -153.95 -99.41 132.95 80.67 11.61 7.72 63.12 11.71 5.60 3.73 4.16 0.01 9.07 2.60 4 H C C 128.51 4.30 10.24 16.50 116.14 -150.54 -98.23 132.62 74.55 13.77 11.69 59.15 8.91 6.16 5.32 6.45 0.01 11.35 2.65 5 H C C 123.95 5.19 10.02 17.10 116.29 -152.32 -100.40 131.36 68.21 17.28 14.51 48.55 10.65 8.90 6.53 8.20 0.03 13.90 3.25 6 H C C 123.77 5.01 10.71 17.52 115.76 -159.93 -101.22 128.92 68.39 17.56 14.05 45.99 11.62 10.95 6.51 7.61 0.03 14.07 3.22 7 H C C 131.46 4.41 11.15 17.41 114.00 -159.19 -97.84 121.65 75.50 13.15 11.35 42.39 15.36 18.49 5.22 5.70 0.03 10.35 2.46 8 G C C 45.66 5.48 12.05 18.96 116.10 -5.08 94.78 159.88 84.08 8.10 7.82 38.72 21.39 25.02 2.72 4.53 0.01 6.13 1.48 9 S C C 78.75 4.28 13.64 19.48 111.79 -95.86 -94.96 119.84 79.11 14.01 6.88 44.72 19.02 16.09 2.08 4.62 0.01 11.05 2.40 10 M C C 83.57 11.39 11.68 23.59 116.15 -153.60 -96.78 131.21 70.62 23.55 5.83 45.19 16.04 10.08 2.01 3.93 0.03 18.04 4.67 11 A C C 66.15 6.74 16.03 23.93 114.25 -147.47 -93.38 128.48 72.65 23.91 3.44 51.04 15.31 6.40 1.24 2.39 0.01 18.82 4.78 12 L C C 52.86 14.83 11.34 26.18 120.21 -147.79 -101.96 137.26 83.75 15.70 0.55 58.99 24.08 1.23 0.22 0.38 0.00 12.42 2.69 13 P C C 64.92 5.53 15.73 22.64 114.23 -107.15 -67.00 149.50 89.10 8.65 2.25 79.07 6.04 3.57 0.67 1.67 0.00 6.37 2.61 14 K C T 134.66 6.81 12.48 20.81 95.73 -112.47 -64.58 -26.53 87.02 1.69 11.29 16.25 16.29 53.66 1.19 10.93 0.00 1.00 0.68 15 D C T 115.95 2.03 15.77 18.05 97.11 56.69 -83.30 -4.40 86.78 1.77 11.44 14.16 17.27 54.53 1.19 11.09 0.00 1.07 0.67 16 A C C 44.58 10.23 14.78 26.09 108.00 83.99 -91.06 87.68 86.91 4.80 8.29 49.62 30.12 6.67 1.39 7.19 0.00 2.24 2.76 17 I C C 54.79 16.27 15.18 31.15 116.65 105.65 -91.07 130.28 95.74 3.91 0.35 81.98 13.40 0.44 0.17 0.16 0.00 1.79 2.07 18 P C C 23.45 17.30 15.12 32.86 116.30 -114.10 -68.04 151.31 97.21 2.38 0.40 95.39 1.77 0.32 0.18 0.13 0.00 1.16 1.05 19 S C C 51.50 5.27 23.57 28.59 120.94 -118.25 -84.27 159.64 93.86 5.19 0.95 90.40 2.51 0.36 0.64 0.24 0.00 1.26 4.59 20 L H G 43.43 20.11 13.00 32.25 91.72 -111.11 -59.66 -36.26 10.98 0.32 88.70 2.63 1.85 6.27 39.36 49.61 0.01 0.22 0.07 21 S H G 79.29 3.59 19.71 24.51 90.60 61.58 -64.68 -27.76 7.66 0.19 92.15 1.22 0.93 5.07 38.85 53.74 0.00 0.14 0.03 22 E H G 99.24 7.57 20.39 28.43 92.46 57.47 -76.72 -18.18 6.94 0.16 92.90 1.15 0.90 4.44 41.06 52.30 0.00 0.11 0.02 23 C H H 5.82 24.06 13.89 38.13 97.41 55.86 -94.10 0.93 31.78 1.96 66.26 10.38 6.98 15.07 33.16 32.42 0.12 1.13 0.74 24 Q E B 76.53 12.34 21.27 33.63 116.71 113.71 -81.36 136.16 36.46 60.69 2.84 25.11 6.47 1.06 2.04 0.59 0.03 9.46 55.24 25 C C C 16.91 20.37 14.26 34.12 117.11 -130.33 -100.71 136.29 86.95 11.91 1.14 79.51 5.95 1.07 0.84 0.39 0.00 6.31 5.92 26 G C T 42.85 5.51 21.69 27.56 95.28 -106.08 -58.46 -40.16 87.07 1.54 11.38 2.89 19.51 65.80 4.90 5.06 0.06 0.82 0.96 27 I C T 52.44 14.67 18.63 32.71 98.05 38.75 -80.63 -36.15 86.92 0.45 12.62 0.81 7.00 80.59 4.91 6.02 0.03 0.21 0.43 28 C C T 12.00 21.62 16.53 37.42 101.51 27.15 -99.64 -13.19 84.92 1.71 13.36 2.56 6.40 76.54 5.71 6.77 0.08 1.01 0.94 29 M C T 68.05 14.93 18.62 32.54 95.48 -135.23 -14.60 -12.35 54.39 11.54 34.08 9.76 11.38 32.59 17.63 15.65 1.96 6.55 4.49 30 E C T 102.83 7.30 23.20 30.47 94.29 72.87 -70.65 -24.18 53.56 12.82 33.62 8.13 11.62 34.72 17.68 15.67 0.89 8.37 2.93 31 I C T 29.49 17.97 19.15 36.48 97.00 50.37 -86.34 -16.05 36.54 33.23 30.23 11.10 8.34 21.56 17.45 10.87 2.21 17.18 11.29 32 L C C 17.54 22.42 16.44 38.19 104.66 89.49 -81.85 78.27 49.91 40.92 9.17 35.59 8.65 4.21 6.95 2.68 0.17 22.32 19.44 33 V C S 58.32 12.00 21.25 32.94 105.84 129.13 -100.80 -27.96 88.65 9.74 1.61 25.60 60.03 3.63 1.11 0.51 0.00 7.04 2.08 34 E C S 100.08 6.56 23.35 30.25 122.95 11.78 -116.55 136.50 93.92 5.99 0.09 9.06 84.63 0.94 0.02 0.05 0.00 4.85 0.45 35 P C C 41.69 16.74 18.50 34.59 115.31 -94.19 -66.73 145.77 83.69 16.21 0.10 78.28 3.97 0.30 0.02 0.07 0.00 16.78 0.58 36 V E E 15.57 19.69 18.69 38.55 123.68 -154.97 -117.10 137.96 12.23 87.69 0.08 11.08 1.01 0.08 0.03 0.04 0.00 83.89 3.87 37 T E E 52.61 10.74 23.90 34.90 119.36 -147.12 -107.01 131.28 6.93 93.02 0.04 6.50 0.33 0.03 0.03 0.02 0.00 84.92 8.18 38 L C C 9.73 22.25 14.62 36.96 123.38 -147.05 -88.15 161.74 81.99 17.90 0.10 80.09 1.42 0.30 0.01 0.08 0.00 16.71 1.38 39 P C T 62.67 10.04 20.32 31.15 92.14 -99.80 -62.67 -25.13 97.24 0.81 1.95 1.64 5.18 90.15 0.05 2.20 0.00 0.65 0.12 40 C C T 34.86 14.67 15.82 30.91 95.17 49.30 -90.50 3.92 97.90 0.18 1.92 1.09 4.61 91.85 0.05 2.26 0.00 0.11 0.04 41 N C S 101.39 5.98 22.10 28.63 94.54 -107.98 73.04 21.18 92.65 4.30 3.05 24.43 56.39 11.61 0.24 3.26 0.00 2.60 1.46 42 H C C 33.18 18.36 16.01 34.25 119.42 142.60 -86.41 144.30 89.06 10.66 0.28 83.60 4.54 0.77 0.09 0.16 0.00 9.08 1.76 43 T E E 45.42 13.25 24.07 37.07 121.06 -152.04 -109.86 136.92 16.15 83.49 0.36 12.94 2.71 0.34 0.27 0.17 0.00 70.52 13.05 44 L E E 14.51 21.58 21.47 42.26 134.93 130.27 -133.15 157.53 21.22 78.46 0.32 16.69 4.68 0.58 0.17 0.19 0.00 71.93 5.77 45 C C C 11.66 19.94 20.81 40.70 114.07 -108.26 -79.33 136.49 73.53 25.70 0.77 69.07 4.27 0.47 0.55 0.29 0.00 22.06 3.29 46 K H H 80.78 14.71 20.62 34.42 95.52 -123.13 -61.25 -41.64 6.54 0.05 93.41 3.23 1.27 2.14 91.85 1.47 0.00 0.02 0.01 47 P H H 72.79 4.20 24.75 28.90 91.47 51.38 -63.44 -38.57 2.66 0.03 97.31 0.50 0.26 1.70 94.60 2.90 0.01 0.02 0.01 48 C H H 19.15 15.28 20.51 36.09 91.98 50.46 -65.39 -40.95 1.33 0.03 98.64 0.27 0.12 0.83 95.14 3.61 0.00 0.02 0.00 49 F H H 5.18 25.49 17.18 42.80 91.53 50.36 -64.19 -42.63 0.98 0.03 98.99 0.26 0.10 0.55 97.57 1.50 0.00 0.02 0.00 50 Q H H 80.89 10.07 22.26 32.26 91.59 51.32 -63.58 -41.68 1.56 0.04 98.40 0.38 0.16 0.92 97.79 0.72 0.00 0.02 0.01 51 S H H 50.08 4.00 22.89 26.74 91.84 50.23 -64.84 -41.63 3.66 0.09 96.25 0.78 0.38 2.30 95.66 0.80 0.01 0.05 0.02 52 T H H 16.99 16.28 17.52 34.30 92.35 49.62 -66.42 -41.14 6.07 0.26 93.67 1.70 0.76 3.42 92.93 0.95 0.02 0.15 0.07 53 V H H 25.94 18.89 15.59 33.94 92.81 49.99 -66.75 -40.15 9.18 0.38 90.44 3.02 1.30 4.92 88.71 1.66 0.03 0.23 0.11 54 E H H 127.90 3.08 18.99 22.53 92.71 51.37 -68.41 -32.72 15.22 0.24 84.55 3.00 1.71 10.15 83.12 1.75 0.05 0.12 0.10 55 K H H 127.70 3.49 17.65 21.58 96.83 45.95 -83.98 -15.07 29.38 0.33 70.30 4.81 3.81 20.56 68.59 1.85 0.06 0.13 0.18 56 A C T 46.36 13.22 14.79 27.73 100.95 38.15 -79.30 20.22 67.70 1.34 30.96 23.09 15.67 28.98 27.13 3.79 0.03 0.54 0.78 57 S C T 51.98 9.59 20.88 30.36 110.43 -122.20 -94.40 108.69 83.85 3.55 12.59 32.38 19.15 33.27 6.64 5.36 0.00 2.29 0.90 58 L C C 35.50 19.08 18.65 36.77 102.65 -132.05 -97.40 18.50 74.56 18.41 7.03 41.61 21.64 11.93 2.78 4.00 0.01 16.50 1.53 59 C E B 30.47 12.20 23.23 36.14 131.69 105.54 -124.35 152.02 9.30 90.42 0.29 7.48 1.14 0.11 0.26 0.05 0.00 20.48 70.49 60 C C C 6.08 21.86 16.02 38.90 109.38 -108.09 -73.00 128.68 91.65 8.30 0.06 91.95 0.62 0.11 0.02 0.02 0.00 6.07 1.21 61 P C T 44.45 12.09 20.46 33.77 92.83 -144.58 -67.89 -23.66 99.40 0.16 0.43 0.51 3.40 95.57 0.02 0.36 0.00 0.11 0.03 62 F C T 85.74 11.39 18.69 30.10 100.66 43.79 -86.79 -40.56 99.41 0.12 0.46 0.26 2.66 96.65 0.03 0.31 0.00 0.07 0.03 63 C C T 53.20 7.79 16.53 25.61 101.90 20.84 -109.15 -10.95 99.13 0.30 0.57 2.34 6.77 90.12 0.07 0.43 0.00 0.19 0.07 64 R C C 141.08 7.91 15.83 25.03 94.30 -126.04 65.68 20.07 98.98 0.63 0.39 70.12 10.81 18.09 0.14 0.21 0.00 0.40 0.23 65 R C C 112.79 5.80 18.59 25.74 119.80 140.03 -84.91 146.43 77.35 21.88 0.77 60.37 15.77 1.24 0.51 0.38 0.00 17.43 4.30 66 R E B 115.71 9.82 19.58 29.80 113.16 -106.50 -71.87 135.98 7.11 92.59 0.29 5.97 0.55 0.11 0.28 0.06 0.00 25.15 67.88 67 V C C 13.92 22.39 13.63 35.55 109.90 -152.70 -93.16 114.32 79.81 9.52 10.68 73.09 4.65 2.56 5.31 4.75 0.00 8.33 1.29 68 S C C 51.38 9.09 21.10 30.13 100.39 106.42 -79.84 -29.75 70.39 3.76 25.84 42.80 15.22 12.33 15.82 10.34 0.02 2.33 1.15 69 S C C 45.72 8.36 20.70 29.38 102.72 45.27 -81.26 -24.76 55.85 3.73 40.42 31.21 11.23 13.89 27.04 13.04 0.07 2.02 1.50 70 W H H 49.44 18.45 15.99 33.52 94.64 57.18 -67.69 -30.98 28.48 2.97 68.55 13.08 6.60 9.67 49.34 18.34 0.14 2.07 0.75 71 T H H 43.73 13.29 17.15 30.58 93.31 62.16 -67.82 -31.27 23.20 5.70 71.10 10.76 4.42 8.59 52.23 18.13 0.15 4.86 0.87 72 R H H 118.88 6.19 19.11 25.74 94.08 56.52 -72.61 -28.66 22.97 7.68 69.35 10.81 4.51 8.74 51.86 16.18 0.21 6.60 1.08 73 Y H H 77.61 11.96 16.20 28.56 99.74 55.25 -81.44 -15.83 29.57 8.59 61.85 15.78 6.57 9.97 50.08 8.90 0.27 6.71 1.72 74 H H H 65.60 13.35 14.62 28.00 102.61 62.23 -89.51 7.07 42.39 8.09 49.53 24.56 8.05 11.90 42.55 5.12 0.15 5.77 1.90 75 T C H 65.14 8.07 14.79 23.86 105.61 82.95 -90.14 -8.04 51.95 5.36 42.69 25.39 10.61 17.35 36.28 5.30 0.15 3.36 1.57 76 R C H 137.78 5.98 13.97 21.04 98.40 56.51 -76.34 -19.44 59.76 3.83 36.41 22.20 13.61 25.05 29.73 5.70 0.16 2.15 1.39 77 R C T 140.59 5.35 15.04 21.45 100.31 52.33 -84.92 0.58 73.42 1.73 24.85 17.13 14.47 41.47 19.41 5.69 0.06 0.90 0.85 78 N C T 96.20 7.42 15.61 23.94 101.20 -41.43 -36.71 38.71 82.86 3.44 13.70 27.04 17.29 39.46 8.07 4.90 0.02 2.17 1.05 79 S C C 36.14 13.74 15.10 29.13 118.66 133.84 -102.66 148.88 71.04 18.64 10.32 46.93 14.20 9.86 6.37 4.40 0.06 13.94 4.25 80 L C C 62.19 13.37 19.74 32.90 105.12 -139.06 -90.12 48.16 62.26 28.96 8.77 43.09 13.30 5.43 6.85 2.86 0.07 21.82 6.59 81 V C C 29.11 19.51 16.81 35.58 118.10 126.14 -99.08 132.84 64.24 29.42 6.34 50.25 10.98 2.11 5.77 1.47 0.02 20.53 8.87 82 N C C 36.73 14.72 17.94 33.09 107.03 -120.45 -79.98 113.06 86.54 10.31 3.15 83.29 2.73 0.88 2.90 0.48 0.00 7.06 2.65 83 V H H 77.47 8.56 18.31 27.83 94.05 -158.68 -64.72 -35.21 3.84 0.05 96.12 1.42 0.50 1.79 95.73 0.53 0.00 0.03 0.01 84 E H H 107.25 3.92 21.54 25.61 92.04 54.19 -64.89 -40.39 1.67 0.01 98.32 0.25 0.12 1.23 97.90 0.49 0.00 0.01 0.00 85 L H H 13.28 19.69 17.57 37.24 92.27 48.89 -65.74 -42.43 0.64 0.00 99.35 0.10 0.04 0.44 98.90 0.52 0.00 0.00 0.00 86 W H H 34.77 18.68 17.49 35.93 91.57 51.68 -63.00 -42.49 0.19 0.00 99.81 0.03 0.01 0.10 99.76 0.10 0.00 0.00 0.00 87 T H H 68.95 3.17 22.98 25.51 91.38 50.70 -63.70 -41.77 0.34 0.00 99.65 0.05 0.02 0.22 99.64 0.06 0.00 0.00 0.00 88 I H H 41.07 8.97 19.89 30.43 91.56 49.80 -64.22 -42.62 0.35 0.01 99.64 0.06 0.02 0.23 99.62 0.06 0.00 0.01 0.00 89 I H H 5.91 22.93 14.60 37.88 91.32 49.54 -64.01 -42.61 0.25 0.01 99.74 0.05 0.01 0.15 99.68 0.10 0.00 0.01 0.00 90 Q H H 74.16 11.09 16.56 28.14 91.50 52.02 -64.28 -36.91 0.68 0.00 99.32 0.07 0.03 0.50 99.16 0.22 0.00 0.00 0.00 91 K H H 146.95 1.24 19.92 19.53 92.93 48.39 -69.47 -37.22 3.40 0.00 96.60 0.07 0.09 3.29 96.29 0.26 0.00 0.00 0.00 92 H H H 83.16 9.12 16.24 26.22 99.82 35.65 -90.42 -31.95 7.36 0.01 92.63 0.14 0.49 6.76 92.42 0.17 0.01 0.00 0.01 93 Y C C 43.24 15.18 11.89 27.57 111.80 22.87 -132.58 67.01 99.19 0.29 0.52 74.01 24.61 0.37 0.62 0.04 0.00 0.06 0.29 94 P H H 70.33 6.75 13.78 22.69 93.56 161.93 -60.04 -37.36 7.83 0.04 92.13 2.85 0.63 4.08 86.52 5.89 0.00 0.02 0.02 95 R H H 161.42 1.25 19.24 18.98 91.93 52.35 -64.87 -40.06 3.25 0.00 96.74 0.30 0.20 2.52 91.09 5.89 0.00 0.00 0.00 96 E H H 63.31 8.71 16.69 26.76 92.17 49.46 -66.21 -39.98 1.78 0.01 98.21 0.33 0.14 1.16 93.09 5.28 0.00 0.00 0.00 97 C H H 11.14 17.75 12.06 30.45 91.62 51.22 -64.00 -41.67 2.59 0.03 97.38 0.93 0.32 1.30 94.13 3.29 0.00 0.01 0.01 98 K H H 118.67 3.03 18.75 22.08 91.60 51.66 -63.68 -40.49 5.81 0.13 94.06 2.02 0.75 3.16 90.68 3.27 0.01 0.07 0.05 99 L H H 93.01 2.92 16.96 20.20 92.42 51.00 -65.58 -38.93 10.21 0.18 89.61 3.13 1.25 5.79 86.38 3.27 0.02 0.09 0.07 100 R H H 93.29 10.90 13.27 24.82 93.01 51.72 -68.92 -33.40 18.38 0.34 81.28 6.22 2.44 9.61 78.89 2.51 0.02 0.16 0.16 101 A H H 52.38 9.57 11.35 21.84 95.48 54.29 -76.26 -22.54 44.54 0.86 54.60 24.25 1.96 17.67 53.73 1.50 0.01 0.30 0.57 102 S C C 79.84 2.71 14.21 17.91 101.14 72.32 -79.57 -1.82 99.70 0.06 0.23 99.06 0.22 0.41 0.24 0.01 0.00 0.03 0.02