# 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 89.75 8.66 13.95 23.27 105.56 -136.54 -79.28 103.39 98.89 0.16 0.95 98.56 0.17 0.26 0.86 0.04 0.00 0.07 0.04 1 A H H 61.45 5.05 12.79 19.13 98.26 81.16 -70.87 -32.27 43.05 1.39 55.57 37.93 1.25 4.96 52.06 2.60 0.00 0.71 0.50 2 V H H 82.30 6.10 11.32 18.52 95.93 62.50 -67.69 -36.11 28.54 1.75 69.72 19.63 4.32 6.48 63.56 4.39 0.02 1.13 0.47 3 R H H 122.64 6.28 13.11 20.52 93.63 56.02 -66.66 -35.39 21.87 1.91 76.22 15.44 3.27 5.15 68.07 6.19 0.02 1.42 0.43 4 A H H 54.86 4.71 13.72 19.84 93.68 55.15 -66.46 -37.04 18.01 1.63 80.36 11.79 3.06 4.95 71.16 7.44 0.02 1.21 0.37 5 A H H 51.03 5.20 14.03 20.49 94.38 54.43 -66.55 -38.56 18.49 2.10 79.41 10.90 3.26 5.98 69.86 7.91 0.04 1.64 0.42 6 V H H 64.65 7.86 13.96 22.78 94.39 51.03 -68.26 -38.59 19.52 3.10 77.38 11.14 3.47 6.64 67.78 7.79 0.05 2.59 0.54 7 L H H 74.52 8.53 13.21 22.79 94.09 55.74 -69.58 -34.05 23.25 3.63 73.12 13.86 4.30 7.03 61.61 9.57 0.05 2.90 0.68 8 R H H 147.54 3.50 14.99 19.53 94.07 59.57 -68.10 -28.11 36.35 3.65 60.01 17.58 5.65 13.93 49.57 9.61 0.07 2.84 0.75 9 H H H 111.36 6.10 13.96 20.93 97.68 53.96 -82.54 -14.72 46.78 4.65 48.58 22.29 7.13 17.99 38.88 9.01 0.08 3.57 1.05 10 I C C 78.37 10.39 11.72 22.68 103.07 71.55 -86.95 19.05 60.46 8.42 31.12 39.88 9.65 10.73 26.73 5.03 0.04 5.82 2.11 11 R C C 152.11 4.27 13.81 19.70 105.81 99.92 -86.71 80.93 74.80 8.67 16.52 53.23 10.61 9.40 14.88 3.21 0.01 6.07 2.59 12 V C C 66.46 9.16 10.98 21.48 118.51 152.18 -100.73 131.82 90.04 5.71 4.26 63.75 23.96 2.18 3.92 0.88 0.00 3.62 1.69 13 P C C 87.36 3.69 15.07 19.77 112.19 -109.71 -67.14 143.83 89.64 3.97 6.39 82.66 4.04 3.29 4.20 1.92 0.00 2.70 1.19 14 L C C 91.11 10.72 9.93 20.93 103.37 -129.49 -77.49 29.41 76.59 3.42 19.99 49.12 14.03 13.19 8.53 11.64 0.01 1.87 1.61 15 Q C C 124.38 3.39 14.09 18.64 109.00 75.35 -87.49 105.38 78.79 3.46 17.75 46.22 18.04 14.66 7.10 10.54 0.01 1.87 1.56 16 A C C 70.88 5.58 12.97 19.95 110.65 -96.87 -84.40 122.42 81.45 3.04 15.50 55.83 16.63 8.95 6.34 9.17 0.00 1.67 1.41 17 V C C 65.14 11.12 10.14 21.91 115.53 -125.31 -90.92 133.31 89.01 2.25 8.74 68.00 17.68 3.34 6.08 2.68 0.00 1.08 1.15 18 P C C 77.52 5.65 13.36 20.51 110.63 -109.72 -67.74 147.54 82.81 2.14 15.05 69.80 6.11 7.05 8.61 6.25 0.00 1.30 0.89 19 R C C 154.86 4.32 13.32 19.04 103.83 -121.48 -76.78 42.75 76.01 2.66 21.32 45.23 16.40 14.43 12.12 9.16 0.01 1.33 1.33 20 L C C 81.21 9.50 11.38 21.61 106.14 85.17 -85.34 82.89 69.06 2.25 28.69 42.19 15.74 11.30 19.39 9.14 0.01 1.06 1.16 21 Q H H 98.33 6.15 14.19 21.48 104.91 82.77 -77.26 -27.23 48.20 1.04 50.76 32.15 9.55 7.37 40.31 9.68 0.01 0.52 0.40 22 P H H 73.07 6.36 14.94 22.36 96.20 44.14 -68.24 -31.02 37.77 1.27 60.96 25.19 4.98 8.49 47.44 12.69 0.01 0.79 0.41 23 W H H 107.75 10.48 13.60 24.60 96.87 54.91 -72.76 -30.30 23.50 1.62 74.88 13.70 4.03 6.79 57.25 16.69 0.04 1.09 0.41 24 R H H 113.92 8.28 15.12 24.24 97.73 56.43 -69.78 -26.77 24.57 2.17 73.27 14.40 4.48 7.17 58.00 13.87 0.05 1.48 0.55 25 A H H 56.96 7.40 15.33 23.63 100.39 54.43 -79.72 -7.09 32.08 2.70 65.22 18.24 5.76 9.89 52.29 11.19 0.07 1.78 0.78 26 M H H 85.81 9.61 13.95 24.29 105.90 54.38 -87.77 22.07 40.30 3.22 56.49 23.25 8.10 11.68 45.48 8.37 0.09 1.84 1.19 27 S C H 53.84 9.57 12.99 23.31 111.67 68.25 -91.21 123.25 52.89 3.10 44.01 30.38 8.78 15.26 35.64 6.93 0.06 1.65 1.29 28 S C C 73.38 5.41 13.43 20.16 103.35 -138.46 -86.75 9.62 62.80 2.46 34.75 26.58 14.17 23.40 25.88 7.56 0.06 1.18 1.16 29 H C T 125.02 4.97 12.72 19.06 104.46 71.78 -88.64 37.59 73.51 1.82 24.67 24.55 20.11 29.73 16.58 7.13 0.04 0.79 1.08 30 G C C 45.61 6.03 13.14 20.39 107.22 -45.53 74.37 -7.56 84.39 1.49 14.12 33.81 20.96 30.39 5.64 7.62 0.00 0.66 0.91 31 D C C 88.43 7.08 13.21 21.50 106.18 85.05 -88.27 52.31 82.40 2.12 15.48 42.77 18.81 21.05 4.55 10.66 0.00 0.98 1.17 32 D C C 89.66 7.37 14.68 23.00 104.23 130.11 -91.63 21.51 83.08 2.97 13.94 43.81 19.80 19.70 3.89 9.92 0.00 1.48 1.39 33 H C C 97.63 10.34 15.35 26.05 114.19 123.17 -94.01 136.94 85.18 5.15 9.67 51.06 21.97 12.26 3.70 5.81 0.01 2.59 2.59 34 L C C 31.83 17.92 12.36 29.96 118.28 -116.08 -94.65 137.76 92.71 5.28 2.01 72.46 18.78 1.17 1.59 0.57 0.00 2.10 3.33 35 S C C 52.57 4.04 22.01 25.67 119.00 -120.29 -77.54 158.39 96.39 1.97 1.64 94.28 1.91 0.47 1.39 0.21 0.00 0.75 1.00 36 K H H 84.45 15.89 13.62 28.85 91.82 -112.10 -58.56 -38.84 2.09 0.01 97.90 0.56 0.37 1.00 97.78 0.29 0.00 0.00 0.00 37 E H H 123.21 3.14 19.67 23.48 91.66 53.43 -64.00 -40.24 1.00 0.00 98.99 0.17 0.09 0.62 98.82 0.30 0.00 0.00 0.00 38 E H H 79.05 6.13 20.48 27.21 91.99 48.38 -66.19 -40.23 0.45 0.00 99.54 0.11 0.04 0.24 99.32 0.28 0.00 0.00 0.00 39 V H H 6.14 22.38 16.86 39.49 91.54 49.67 -64.19 -43.91 0.24 0.00 99.76 0.06 0.01 0.11 99.75 0.06 0.00 0.00 0.00 40 I H H 24.39 18.37 20.02 37.96 91.24 50.31 -62.65 -43.01 0.14 0.00 99.86 0.02 0.01 0.07 99.87 0.02 0.00 0.00 0.00 41 Q H H 97.14 4.30 25.40 29.84 91.48 50.22 -64.16 -41.38 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 42 R H H 69.01 12.49 23.82 36.00 91.88 49.26 -64.86 -42.14 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 43 V H H 1.70 26.57 21.36 48.11 91.49 48.82 -64.09 -43.89 0.18 0.00 99.82 0.01 0.01 0.12 99.85 0.01 0.00 0.00 0.00 44 L H H 23.06 17.92 22.61 40.04 91.18 50.45 -62.99 -42.00 0.24 0.00 99.76 0.02 0.01 0.15 99.80 0.03 0.00 0.00 0.00 45 A H H 46.72 4.63 25.92 30.79 91.38 51.17 -63.89 -41.54 0.57 0.00 99.43 0.05 0.02 0.40 99.40 0.11 0.00 0.00 0.00 46 V H H 12.46 17.73 21.60 39.51 91.95 49.30 -64.81 -43.39 0.91 0.00 99.09 0.05 0.04 0.74 98.76 0.40 0.00 0.00 0.00 47 V H H 2.77 25.90 17.47 43.72 91.67 49.37 -65.90 -39.17 1.43 0.01 98.56 0.07 0.10 1.23 97.19 1.39 0.01 0.00 0.00 48 K H H 100.91 10.36 20.18 30.71 90.95 58.97 -66.23 -25.86 20.20 0.03 79.77 0.35 0.44 20.61 76.81 1.74 0.02 0.01 0.02 49 D C T 92.77 4.74 21.22 26.47 93.88 55.75 -87.74 -5.19 71.03 0.04 28.93 0.95 1.42 68.55 27.50 1.53 0.00 0.01 0.04 50 F C S 21.64 21.67 8.83 29.73 112.97 102.50 -80.83 126.65 98.71 0.89 0.40 30.64 67.17 0.59 0.31 0.07 0.00 0.13 1.08 51 P C T 107.26 2.24 18.84 21.29 93.93 -132.18 -64.63 -21.69 99.37 0.06 0.57 0.87 6.54 92.01 0.04 0.46 0.00 0.03 0.04 52 K C T 116.20 7.71 17.41 25.91 94.24 55.49 -81.87 -3.96 99.66 0.05 0.29 1.15 6.39 92.10 0.02 0.30 0.00 0.03 0.02 53 V C S 12.30 23.18 9.59 31.89 122.46 75.39 -111.89 133.19 89.43 10.43 0.14 37.92 49.72 0.38 0.06 0.06 0.00 1.70 10.15 54 D C C 75.25 3.88 23.32 26.77 108.92 -145.32 -95.99 113.57 99.75 0.24 0.02 99.45 0.34 0.03 0.00 0.00 0.00 0.09 0.07 55 P H G 52.19 17.49 11.23 28.23 91.80 -157.15 -62.59 -24.93 12.00 0.12 87.88 1.30 0.95 7.26 0.50 89.89 0.00 0.08 0.00 56 S H G 90.43 1.59 18.80 20.29 90.37 64.49 -70.14 -17.83 12.43 0.07 87.50 0.39 0.68 9.06 0.35 89.46 0.00 0.04 0.00 57 K H G 117.87 5.64 18.69 25.12 95.93 53.37 -96.73 -3.10 13.69 0.14 86.18 1.40 1.44 7.74 0.42 88.91 0.00 0.08 0.01 58 V C C 9.38 24.63 9.57 33.57 116.62 96.78 -90.43 130.90 95.71 3.67 0.62 69.67 24.67 0.49 0.22 0.39 0.00 0.73 3.83 59 T C C 58.35 5.21 25.09 30.25 132.39 168.93 -128.66 159.37 98.17 1.79 0.04 93.37 4.55 0.10 0.01 0.02 0.00 0.47 1.48 60 P C T 47.77 17.93 14.57 32.02 91.25 -107.74 -62.93 -24.28 98.88 0.40 0.72 0.92 6.36 91.75 0.06 0.56 0.00 0.26 0.10 61 D C T 106.87 2.76 21.29 24.27 93.88 57.68 -91.46 1.89 98.37 0.99 0.64 2.04 3.98 92.35 0.08 0.49 0.00 1.00 0.05 62 V C C 24.52 16.74 13.89 31.61 114.73 122.69 -70.55 136.18 93.68 5.72 0.60 74.46 18.04 0.68 0.24 0.31 0.00 3.74 2.54 63 H C C 67.97 9.01 23.53 33.09 112.06 -140.31 -99.27 122.19 67.51 31.70 0.79 61.25 2.15 0.33 0.58 0.12 0.00 4.20 31.38 64 F C T 8.49 24.87 14.31 39.61 93.72 -152.18 -64.57 -37.33 55.29 5.57 39.14 8.41 10.60 34.28 24.70 11.09 3.85 2.19 4.87 65 Q C T 73.28 13.43 17.71 30.60 93.83 53.49 -66.63 -40.93 52.07 4.27 43.66 2.34 6.85 38.40 28.35 11.38 7.22 1.24 4.23 66 K C T 146.96 1.79 20.24 21.36 97.28 36.83 -79.79 -36.84 49.56 0.96 49.47 1.05 4.69 41.62 32.18 14.80 4.16 0.44 1.05 67 D C T 66.43 10.08 17.40 27.82 102.28 32.40 -93.90 -35.05 60.73 0.71 38.56 1.17 5.56 53.18 26.05 11.63 1.26 0.34 0.80 68 L C T 22.91 19.99 14.80 34.23 100.58 25.82 -102.16 -9.84 66.49 3.50 30.01 3.57 14.56 48.15 21.72 6.37 1.06 1.00 3.57 69 G C C 39.07 5.93 22.56 29.05 96.21 -116.24 77.07 16.51 94.57 3.35 2.08 58.82 17.03 18.76 0.66 1.27 0.00 1.26 2.20 70 L C C 18.26 22.87 12.83 34.96 116.12 148.25 -86.63 137.30 92.01 4.17 3.82 67.54 16.83 7.19 1.60 2.05 0.00 1.52 3.25 71 D C C 66.88 7.45 23.26 30.62 120.70 -147.57 -95.24 159.62 93.93 2.02 4.05 78.52 9.81 5.39 2.39 1.49 0.00 0.77 1.62 72 S H H 45.03 15.88 17.75 32.70 93.92 -104.74 -63.51 -35.06 40.56 0.70 58.74 7.32 11.28 23.05 49.65 7.65 0.29 0.28 0.49 73 L H H 80.13 9.09 22.28 31.32 92.91 52.82 -67.27 -37.67 31.86 0.35 67.78 3.32 5.28 23.54 60.57 6.61 0.29 0.15 0.25 74 D H H 34.69 15.63 21.50 36.54 92.50 50.87 -68.49 -36.83 22.41 0.50 77.09 7.99 3.58 11.66 69.91 6.22 0.12 0.25 0.26 75 N H H 8.82 23.54 19.81 42.58 92.08 53.71 -63.67 -42.38 8.91 0.19 90.90 3.87 1.45 4.06 89.08 1.34 0.03 0.07 0.10 76 V H H 34.93 15.38 23.82 38.66 91.81 50.89 -64.98 -41.84 1.22 0.01 98.76 0.47 0.14 0.50 98.74 0.14 0.00 0.00 0.00 77 E H H 75.92 8.79 26.66 35.89 91.72 50.85 -64.25 -41.75 0.17 0.00 99.83 0.04 0.01 0.08 99.82 0.04 0.00 0.00 0.00 78 I H H 5.66 23.49 22.79 45.83 91.29 49.72 -63.85 -43.57 0.08 0.00 99.92 0.01 0.00 0.04 99.91 0.03 0.00 0.00 0.00 79 V H H 4.69 24.23 22.64 46.38 90.91 50.29 -63.02 -43.16 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 80 M H H 64.08 8.65 26.01 35.24 91.59 50.06 -63.94 -42.15 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 81 A H H 17.67 11.13 23.05 35.52 91.29 50.33 -64.06 -42.37 0.18 0.00 99.82 0.01 0.00 0.14 99.83 0.02 0.00 0.00 0.00 82 L H H 4.54 23.27 18.00 41.62 92.03 49.72 -64.77 -42.65 0.21 0.00 99.79 0.01 0.01 0.15 99.79 0.03 0.00 0.00 0.00 83 E H H 47.64 14.38 17.71 32.20 91.91 51.47 -63.53 -42.41 0.17 0.00 99.83 0.01 0.01 0.11 99.80 0.06 0.00 0.00 0.00 84 E H H 127.73 1.98 20.76 21.97 92.83 47.37 -66.55 -40.82 0.47 0.00 99.53 0.02 0.02 0.39 99.40 0.18 0.00 0.00 0.00 85 E H H 83.62 9.69 17.18 27.38 94.32 44.44 -71.47 -37.99 2.58 0.00 97.42 0.05 0.09 2.37 97.28 0.21 0.00 0.00 0.00 86 F H H 41.69 16.08 13.18 29.54 98.50 29.84 -102.16 -0.85 28.60 0.08 71.32 1.57 3.15 22.94 71.53 0.68 0.03 0.02 0.07 87 K C T 165.53 1.37 19.38 20.25 93.71 -125.10 56.84 40.49 99.47 0.07 0.46 23.04 4.56 72.01 0.19 0.13 0.00 0.05 0.02 88 L C C 32.69 17.45 10.71 27.92 123.46 147.03 -111.47 142.96 98.09 1.65 0.26 92.72 4.94 0.59 0.09 0.13 0.00 0.93 0.60 89 E C C 135.21 2.46 22.65 25.13 112.57 -134.10 -95.45 123.37 97.20 2.67 0.13 96.16 1.27 0.25 0.05 0.05 0.00 1.18 1.04 90 I C C 14.84 23.71 10.08 33.16 117.77 -164.45 -109.29 125.14 99.38 0.58 0.04 97.96 1.54 0.04 0.02 0.01 0.00 0.22 0.20 91 P C C 55.54 4.83 19.91 25.51 113.90 -115.19 -66.44 146.70 99.30 0.18 0.52 98.56 0.62 0.35 0.19 0.12 0.00 0.06 0.09 92 D H G 90.50 9.17 13.42 23.60 92.44 -114.18 -59.99 -34.04 41.12 0.29 58.60 6.62 7.75 25.60 22.25 37.39 0.02 0.12 0.25 93 K H G 148.28 1.77 17.94 19.58 92.31 59.76 -67.94 -22.95 36.32 0.25 63.43 3.79 4.81 25.89 25.15 40.01 0.04 0.11 0.19 94 E H G 56.94 12.01 15.96 28.67 95.37 54.51 -82.84 -17.56 29.27 0.41 70.32 9.14 4.22 15.15 28.06 42.99 0.02 0.21 0.21 95 A H G 7.19 23.78 11.62 34.90 91.52 77.62 -63.09 -35.16 17.96 0.29 81.76 5.07 2.48 9.74 23.64 58.79 0.01 0.17 0.10 96 D H G 92.21 6.34 20.45 27.73 91.45 62.43 -71.27 -17.44 27.02 0.17 72.81 2.70 2.79 19.76 13.54 61.00 0.01 0.09 0.10 97 K H G 121.68 4.96 21.77 27.12 94.10 59.51 -86.21 -11.22 32.82 0.29 66.89 5.60 4.38 21.57 8.41 59.72 0.01 0.15 0.17 98 I C C 11.82 23.58 12.01 35.50 111.44 89.26 -91.55 118.10 96.21 1.86 1.93 88.39 6.43 1.07 1.07 0.71 0.00 0.55 1.78 99 D C C 82.61 7.29 23.86 31.98 101.35 168.08 -106.91 -8.16 98.48 1.32 0.20 78.62 19.33 0.49 0.10 0.09 0.00 0.40 0.98 100 S C S 25.25 10.77 25.09 36.65 139.08 33.21 -142.46 162.32 63.79 35.18 1.03 10.79 47.60 0.17 0.74 0.04 0.00 1.45 39.21 101 C H H 5.72 24.92 17.03 42.53 91.30 -108.36 -60.18 -37.78 1.30 0.00 98.70 0.09 0.17 0.99 98.43 0.31 0.00 0.00 0.00 102 N H H 79.28 8.66 24.60 33.77 91.34 55.63 -62.35 -41.43 0.63 0.00 99.37 0.03 0.03 0.51 99.07 0.36 0.00 0.00 0.00 103 L H H 54.07 7.78 24.58 33.11 91.59 49.52 -65.71 -40.59 0.17 0.00 99.83 0.02 0.01 0.11 99.51 0.35 0.00 0.00 0.00 104 A H H 1.33 26.12 18.62 45.27 91.44 52.12 -63.45 -43.92 0.06 0.00 99.94 0.01 0.00 0.03 99.92 0.04 0.00 0.00 0.00 105 I H H 18.03 20.08 21.63 41.06 91.18 50.22 -63.00 -43.12 0.04 0.00 99.96 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 106 E H H 104.81 3.43 26.10 29.05 91.52 50.29 -63.68 -41.84 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 107 Y H H 43.33 13.31 21.06 34.92 91.77 49.40 -64.44 -42.52 0.10 0.00 99.90 0.00 0.00 0.08 99.86 0.06 0.00 0.00 0.00 108 I H H 4.63 25.20 16.66 41.93 91.63 49.31 -65.17 -41.35 0.44 0.00 99.56 0.02 0.01 0.37 99.40 0.20 0.00 0.00 0.00 109 A H H 43.24 12.70 18.34 31.27 91.21 55.28 -67.00 -26.34 8.03 0.00 91.97 0.14 0.21 7.84 91.44 0.37 0.00 0.00 0.00 110 N H H 114.95 2.11 20.84 22.39 96.01 51.98 -90.01 -3.90 47.98 0.07 51.95 1.66 2.83 41.21 53.26 0.95 0.02 0.02 0.06 111 H C C 51.98 17.31 10.26 26.79 113.45 99.88 -85.66 123.24 93.76 0.62 5.62 53.27 37.47 3.12 3.81 1.56 0.00 0.16 0.61 112 P C C 86.12 4.88 15.88 21.95 105.44 -125.55 -67.03 125.07 70.97 0.90 28.13 32.68 9.17 29.47 6.59 21.12 0.00 0.47 0.49 113 M C T 105.34 9.36 12.79 22.75 105.14 -121.90 -83.75 91.12 68.28 2.42 29.31 27.35 9.93 32.57 7.20 20.41 0.01 1.27 1.26 114 A C C 55.41 10.81 10.59 21.81 106.67 104.57 -81.67 88.90 77.04 1.76 21.20 60.60 4.56 13.18 5.38 14.39 0.00 0.97 0.92 115 G C C 53.98 3.37 16.09 20.58 104.99 -37.96 57.06 8.97 99.80 0.07 0.13 99.11 0.30 0.45 0.03 0.05 0.00 0.04 0.02