# 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 118.87 5.36 11.65 18.66 114.59 -163.65 -98.20 136.39 99.74 0.25 0.01 99.64 0.16 0.04 0.01 0.00 0.00 0.11 0.05 1 S C C 78.57 3.31 10.42 15.66 118.42 -125.28 -89.82 145.23 96.47 3.11 0.41 94.53 1.43 0.83 0.15 0.14 0.00 1.36 1.57 2 A C C 71.56 4.92 9.96 16.67 115.66 -102.66 -72.79 148.95 97.81 1.66 0.54 77.36 18.08 2.42 0.16 0.36 0.00 0.94 0.68 3 P C C 91.64 4.74 11.23 17.71 113.05 -102.18 -68.36 148.76 96.94 1.96 1.10 72.74 21.11 3.12 0.38 0.68 0.00 1.00 0.97 4 T C C 93.55 4.40 12.75 19.03 115.72 -109.26 -86.68 138.88 94.21 4.37 1.42 74.64 18.03 1.55 0.73 0.67 0.00 2.21 2.17 5 P C C 61.40 11.95 10.30 22.74 113.57 -107.58 -66.56 146.10 90.05 5.08 4.87 78.72 6.25 5.06 1.64 3.13 0.00 3.13 2.08 6 R C C 167.55 3.22 15.13 19.51 101.82 -149.65 -88.56 5.22 81.71 11.14 7.15 47.74 20.96 12.71 1.92 5.38 0.01 6.19 5.08 7 T C C 70.75 7.27 13.57 21.98 116.86 71.08 -110.55 138.80 76.83 15.45 7.72 31.97 27.44 18.68 1.91 5.39 0.07 9.56 4.98 8 G C C 41.26 7.29 15.05 23.17 108.36 -116.28 79.98 39.33 77.63 15.91 6.46 38.78 24.40 15.60 1.72 4.50 0.04 11.80 3.16 9 I C C 79.03 9.67 13.55 24.15 118.42 125.89 -99.60 138.31 62.36 30.99 6.64 40.08 15.19 6.89 3.28 3.77 0.12 21.98 8.68 10 I C C 83.14 8.40 13.86 23.59 116.12 -139.26 -96.55 130.76 52.89 39.07 8.04 33.97 11.75 7.52 4.25 4.39 0.21 27.58 10.33 11 A C C 57.48 8.27 12.16 21.73 119.59 -160.86 -107.04 134.70 56.90 30.57 12.54 22.02 16.21 21.69 4.65 7.30 0.44 20.98 6.71 12 G C T 48.56 3.74 14.45 19.13 112.04 18.93 84.09 -128.85 74.81 11.91 13.28 20.26 23.45 32.72 2.71 9.44 0.09 8.52 2.82 13 F C T 145.03 3.64 12.98 17.71 97.65 15.23 -81.16 -20.60 77.28 6.98 15.74 14.05 25.93 38.59 3.06 11.42 0.07 4.47 2.41 14 N C T 82.65 7.27 10.65 19.20 107.24 52.27 -106.60 65.75 73.01 13.66 13.33 20.95 23.93 29.78 2.56 9.92 0.09 8.57 4.20 15 K C T 148.35 3.16 12.51 17.53 109.52 -136.55 -65.94 124.69 82.32 10.53 7.15 10.33 13.52 58.36 1.39 5.77 0.02 7.85 2.75 16 G C T 53.28 3.45 14.75 19.01 96.80 15.14 84.44 -1.02 86.56 9.80 3.65 12.90 16.43 57.27 0.47 3.34 0.00 8.59 1.00 17 H C C 82.84 9.10 11.84 22.42 117.51 124.34 -90.93 137.24 67.73 30.21 2.06 48.72 14.71 3.96 0.64 1.67 0.01 24.61 5.68 18 V E E 80.95 6.82 15.64 23.72 116.58 -137.63 -96.80 134.09 43.47 55.58 0.96 36.54 3.76 0.90 0.64 0.47 0.00 40.06 17.63 19 T C C 54.90 12.37 11.78 24.64 115.25 -151.74 -97.13 130.72 64.35 34.45 1.20 53.72 7.71 1.83 0.59 0.75 0.00 29.60 5.79 20 T C C 60.93 7.91 13.40 22.71 122.08 -162.08 -108.11 148.00 78.08 20.63 1.29 60.57 14.12 2.96 0.50 0.90 0.00 17.06 3.89 21 R C C 169.39 3.35 12.75 17.75 100.83 -131.19 -82.27 4.28 90.96 7.90 1.14 46.09 40.82 4.58 0.30 0.82 0.00 5.83 1.56 22 R C S 143.98 3.38 11.30 16.50 118.11 99.39 -94.52 137.71 95.67 3.57 0.75 44.42 48.20 3.38 0.17 0.56 0.00 2.33 0.94 23 P C C 101.36 3.53 11.56 16.92 111.33 -106.99 -69.29 141.25 95.99 2.88 1.12 77.79 13.36 4.72 0.22 1.00 0.00 1.92 0.99 24 R C C 124.12 7.93 9.14 18.38 117.44 -130.28 -89.93 141.32 95.45 3.65 0.90 78.19 14.81 2.10 0.24 0.68 0.00 1.61 2.36 25 Q C C 132.68 2.02 14.84 17.61 116.12 -111.33 -79.91 143.95 98.94 0.94 0.12 83.44 15.08 0.50 0.03 0.07 0.00 0.43 0.45 26 P C C 74.14 9.13 10.43 20.78 114.59 -103.27 -64.53 145.90 98.72 1.10 0.18 88.16 9.86 0.61 0.05 0.10 0.00 0.39 0.81 27 S C C 42.94 7.54 11.02 20.46 117.08 -126.89 -87.60 143.23 99.12 0.65 0.23 92.65 6.03 0.32 0.10 0.09 0.00 0.17 0.64 28 P H G 96.80 3.35 12.05 16.98 93.01 -115.11 -59.63 -30.69 47.45 0.47 52.08 12.03 6.87 27.73 10.21 42.65 0.00 0.25 0.26 29 N H G 114.08 2.45 12.06 15.66 94.30 58.23 -74.44 -16.37 44.89 0.40 54.70 6.63 6.44 30.60 12.34 43.51 0.01 0.21 0.24 30 D H G 72.61 7.92 10.43 19.69 99.61 56.65 -92.24 3.53 40.61 1.11 58.28 16.07 9.30 16.49 14.01 43.01 0.01 0.56 0.55 31 R C C 129.79 7.02 11.30 19.67 103.80 105.53 -82.14 20.09 63.45 1.71 34.84 36.17 11.88 15.40 17.34 17.27 0.01 0.72 1.21 32 F C C 139.91 3.64 13.38 18.18 102.87 96.81 -89.94 5.33 74.35 2.51 23.14 36.34 17.45 21.21 12.62 9.60 0.02 1.02 1.72 33 A C C 54.25 8.19 11.41 20.79 116.88 82.85 -91.19 146.75 84.48 1.97 13.54 40.84 28.75 15.44 6.96 5.86 0.00 0.81 1.32 34 V C C 97.04 4.14 14.16 19.64 115.97 -114.39 -88.43 133.62 90.82 2.77 6.42 67.09 19.97 3.51 4.59 1.98 0.00 1.16 1.70 35 P C C 66.09 11.04 10.33 22.05 110.68 -110.66 -68.82 140.65 91.31 2.83 5.85 78.07 9.70 3.27 4.34 1.65 0.00 1.29 1.67 36 H C C 94.83 5.14 13.13 19.67 119.17 -137.37 -87.24 159.14 90.61 2.85 6.54 79.45 8.79 1.61 6.39 0.81 0.00 0.87 2.09 37 K H H 154.83 1.53 13.83 15.81 92.42 -105.03 -61.13 -37.27 6.97 0.06 92.97 1.74 1.62 3.67 91.35 1.56 0.01 0.02 0.03 38 H H H 114.77 3.45 14.93 19.25 92.32 52.40 -65.62 -39.36 5.44 0.05 94.51 1.23 0.71 3.46 92.77 1.78 0.01 0.03 0.01 39 L H H 37.65 13.23 12.56 26.53 92.74 49.89 -66.51 -40.19 2.82 0.05 97.13 0.89 0.35 1.53 95.61 1.58 0.00 0.03 0.01 40 R H H 117.98 6.31 16.72 24.13 91.73 52.55 -63.36 -41.16 0.88 0.01 99.10 0.29 0.10 0.40 98.88 0.33 0.00 0.01 0.00 41 A H H 60.77 2.58 19.46 21.48 91.96 50.49 -64.49 -41.88 0.72 0.01 99.27 0.18 0.06 0.39 99.14 0.23 0.00 0.00 0.00 42 V H H 49.31 9.64 18.11 28.65 92.11 48.85 -65.24 -42.01 0.43 0.00 99.57 0.08 0.03 0.25 99.49 0.15 0.00 0.00 0.00 43 K H H 60.62 14.80 16.86 31.40 91.76 51.43 -63.35 -41.34 0.33 0.00 99.67 0.05 0.03 0.19 99.65 0.09 0.00 0.00 0.00 44 A H H 52.41 4.81 20.30 25.64 91.72 51.07 -64.15 -40.56 0.65 0.00 99.35 0.08 0.04 0.41 99.33 0.14 0.00 0.00 0.00 45 I H H 76.95 4.47 20.55 25.26 91.93 49.70 -64.68 -42.24 1.01 0.01 98.98 0.12 0.08 0.70 98.90 0.18 0.00 0.00 0.00 46 I H H 28.10 14.19 15.90 31.07 92.21 49.21 -65.21 -42.37 1.87 0.03 98.10 0.25 0.22 1.30 97.95 0.25 0.01 0.01 0.01 47 A H H 34.89 11.57 14.99 27.43 92.18 51.12 -64.45 -40.75 3.17 0.03 96.79 0.44 0.32 2.27 96.46 0.47 0.01 0.01 0.01 48 D H H 106.37 1.91 18.18 19.89 93.75 46.48 -69.72 -37.60 6.58 0.03 93.38 0.39 0.48 5.82 92.61 0.65 0.03 0.01 0.01 49 L H H 93.83 5.62 16.63 22.94 98.91 39.64 -82.72 -37.75 18.34 0.05 81.60 0.43 1.26 16.93 80.48 0.78 0.07 0.01 0.04 50 V H H 57.03 10.65 14.05 25.56 100.81 24.98 -103.13 -11.78 35.92 0.27 63.81 1.76 7.25 26.72 62.93 0.95 0.12 0.07 0.20 51 G C C 45.34 3.85 18.32 22.76 97.97 -114.84 80.68 8.88 98.60 0.43 0.97 45.67 34.12 18.92 0.40 0.47 0.00 0.20 0.23 52 L C C 48.42 13.81 12.37 26.66 120.65 122.96 -102.90 141.80 96.05 2.15 1.81 72.72 20.38 2.38 1.20 0.56 0.00 0.66 2.10 53 S C C 38.58 8.01 17.55 26.89 119.58 -129.21 -78.03 157.28 86.08 0.40 13.51 69.67 11.90 2.85 14.28 0.87 0.00 0.11 0.31 54 P H H 66.22 7.96 18.34 27.44 93.01 -104.87 -60.64 -35.07 21.46 0.11 78.43 3.59 3.53 14.72 75.18 2.82 0.05 0.04 0.07 55 L H H 51.78 13.36 18.47 31.85 92.27 53.96 -65.87 -37.17 14.14 0.10 85.76 2.42 1.75 10.13 82.56 3.01 0.04 0.04 0.06 56 E H H 53.99 14.92 18.20 32.77 92.59 52.66 -65.33 -40.14 4.63 0.04 95.34 1.62 0.62 2.34 93.33 2.05 0.00 0.02 0.01 57 K H H 98.39 6.97 21.55 28.88 92.13 51.86 -64.94 -41.09 1.23 0.01 98.76 0.39 0.13 0.58 98.31 0.59 0.00 0.00 0.00 58 R H H 98.11 8.48 22.09 30.78 91.95 50.37 -64.91 -40.91 1.02 0.01 98.97 0.23 0.09 0.57 98.52 0.57 0.00 0.00 0.00 59 V H H 15.39 19.16 18.27 37.41 92.26 49.96 -64.60 -42.31 0.91 0.01 99.08 0.16 0.07 0.56 98.65 0.57 0.00 0.00 0.00 60 Q H H 52.78 11.62 20.62 32.64 91.62 51.81 -63.16 -42.10 0.64 0.00 99.35 0.09 0.05 0.41 98.93 0.53 0.00 0.00 0.00 61 E H H 83.02 4.50 22.71 27.20 91.64 50.99 -64.27 -41.60 1.08 0.00 98.92 0.09 0.06 0.84 97.99 1.02 0.00 0.00 0.00 62 F H H 39.80 12.49 17.99 31.58 91.86 50.30 -64.84 -41.16 1.38 0.00 98.61 0.10 0.09 1.09 96.99 1.73 0.00 0.00 0.00 63 L H H 33.25 15.97 15.13 31.23 92.11 50.74 -65.80 -39.20 4.06 0.01 95.93 0.37 0.31 3.27 93.47 2.57 0.01 0.01 0.00 64 R H H 147.03 3.85 18.62 23.14 92.50 51.42 -68.96 -35.01 14.39 0.04 85.57 0.73 0.98 12.74 83.36 2.12 0.03 0.01 0.02 65 V H H 83.45 4.28 16.04 21.11 97.89 42.83 -90.29 -16.36 43.96 0.28 55.76 2.85 6.48 34.01 54.42 1.85 0.09 0.09 0.21 66 G C T 36.10 10.30 11.87 22.62 102.93 -119.20 65.37 16.94 84.78 0.66 14.56 29.32 16.03 40.15 8.43 5.31 0.00 0.26 0.49 67 K C C 151.49 2.20 16.41 19.07 97.73 127.29 -79.96 -8.45 87.91 0.76 11.33 32.93 30.44 25.01 4.61 6.16 0.00 0.30 0.55 68 E C C 65.06 12.54 11.81 24.82 106.38 86.77 -94.33 92.74 88.73 0.61 10.66 69.98 9.92 9.04 5.98 4.36 0.00 0.25 0.47 69 K H H 129.75 4.88 16.22 22.94 94.93 -176.47 -67.88 -32.25 17.30 0.10 82.60 9.33 3.99 4.05 81.09 1.46 0.00 0.03 0.05 70 R H H 128.11 3.45 20.54 23.91 92.50 57.05 -65.09 -40.43 4.36 0.02 95.62 1.01 0.57 2.54 94.35 1.51 0.00 0.01 0.01 71 A H H 12.19 16.15 16.10 33.19 91.92 50.43 -64.30 -42.02 2.25 0.02 97.73 0.67 0.23 1.21 96.21 1.66 0.00 0.01 0.00 72 L H H 28.05 15.62 16.76 32.83 91.48 51.48 -62.99 -41.63 0.97 0.01 99.02 0.29 0.10 0.48 98.28 0.84 0.00 0.00 0.00 73 K H H 112.41 2.61 23.82 25.37 91.74 50.44 -64.09 -42.11 0.81 0.01 99.18 0.20 0.07 0.43 99.04 0.26 0.00 0.00 0.00 74 Y H H 70.58 7.28 20.92 29.16 91.71 49.41 -64.32 -42.62 0.79 0.01 99.20 0.14 0.07 0.47 99.07 0.25 0.00 0.00 0.00 75 C H H 6.94 19.32 13.87 34.03 91.40 50.46 -63.77 -42.41 0.88 0.01 99.12 0.16 0.09 0.49 99.09 0.15 0.00 0.00 0.00 76 K H H 90.41 9.54 16.45 26.70 91.76 51.01 -63.72 -40.36 0.78 0.00 99.22 0.10 0.06 0.48 99.20 0.15 0.00 0.00 0.00 77 K H H 151.83 1.16 18.71 18.52 92.28 49.57 -66.50 -38.60 1.28 0.00 98.72 0.07 0.07 1.05 98.59 0.23 0.00 0.00 0.00 78 R H H 129.19 5.23 16.68 22.88 97.39 38.70 -79.36 -38.28 4.02 0.00 95.98 0.08 0.18 3.83 95.61 0.28 0.01 0.00 0.00 79 L H H 54.35 11.57 12.36 24.75 101.62 24.55 -106.15 -16.26 11.85 0.03 88.11 0.51 1.55 9.48 88.15 0.25 0.02 0.01 0.02 80 G C S 51.27 2.17 17.47 19.63 98.67 -123.24 79.57 -0.93 99.37 0.21 0.43 36.05 57.39 5.99 0.20 0.16 0.00 0.07 0.13 81 D C S 65.08 3.57 18.58 22.55 136.69 28.78 -144.70 163.97 97.79 1.27 0.93 40.29 56.47 0.90 0.82 0.13 0.00 0.21 1.19 82 F H H 100.83 11.84 13.25 25.53 91.84 -107.81 -62.09 -36.34 6.80 0.02 93.17 1.22 3.22 2.25 92.92 0.37 0.01 0.00 0.01 83 T H H 92.29 1.63 20.51 20.78 91.79 53.77 -63.54 -42.26 1.87 0.00 98.13 0.19 0.22 1.24 98.03 0.31 0.00 0.00 0.00 84 A H H 35.37 5.46 18.60 25.58 91.53 48.17 -64.49 -41.19 0.65 0.00 99.35 0.10 0.06 0.39 99.15 0.30 0.00 0.00 0.00 85 A H H 5.83 18.66 12.53 32.17 91.00 52.13 -62.22 -43.05 0.23 0.00 99.77 0.04 0.02 0.12 99.73 0.11 0.00 0.00 0.00 86 K H H 105.51 5.59 20.86 27.02 91.58 50.64 -63.68 -41.32 0.17 0.00 99.83 0.02 0.01 0.09 99.83 0.04 0.00 0.00 0.00 87 K H H 124.33 1.59 22.88 22.25 91.59 49.23 -64.60 -41.48 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 88 K H H 66.08 11.50 18.62 30.53 92.20 48.84 -65.95 -40.46 0.20 0.00 99.80 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 89 R H H 67.22 15.63 16.78 32.00 91.50 52.36 -62.64 -41.88 0.14 0.00 99.86 0.02 0.01 0.07 99.89 0.02 0.00 0.00 0.00 90 S H H 60.69 2.37 22.42 23.49 91.40 50.55 -63.53 -41.82 0.17 0.00 99.83 0.02 0.01 0.10 99.86 0.02 0.00 0.00 0.00 91 K H H 107.77 3.41 22.09 25.16 91.71 49.26 -64.93 -41.30 0.18 0.00 99.82 0.02 0.01 0.11 99.85 0.02 0.00 0.00 0.00 92 M H H 24.92 16.84 16.27 33.56 92.06 50.12 -64.65 -41.61 0.14 0.00 99.86 0.02 0.00 0.07 99.88 0.02 0.00 0.00 0.00 93 E H H 79.21 7.85 20.22 28.72 91.49 51.69 -63.02 -41.58 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 94 E H H 105.50 2.03 22.89 23.11 91.71 49.88 -64.40 -41.50 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 95 A H H 26.44 9.30 18.64 29.59 91.85 50.67 -64.13 -42.34 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 96 L H H 39.58 13.46 17.11 31.17 91.87 49.90 -64.14 -41.35 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 97 R H H 127.75 2.96 20.21 23.00 91.61 50.78 -63.81 -41.57 0.23 0.00 99.77 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 98 H H H 102.47 2.59 19.18 21.25 91.97 49.69 -64.89 -41.31 0.52 0.00 99.48 0.05 0.03 0.35 99.45 0.12 0.00 0.00 0.00 99 A H H 27.34 9.10 13.94 25.07 92.12 50.99 -64.66 -40.41 1.62 0.00 98.38 0.21 0.12 1.09 98.28 0.30 0.00 0.00 0.00 100 T H H 61.12 5.77 13.49 20.92 92.45 51.14 -65.89 -38.78 6.04 0.01 93.95 0.87 0.56 4.12 93.78 0.66 0.00 0.00 0.01 101 K H H 137.76 1.51 13.70 15.17 93.09 52.16 -67.52 -36.14 16.69 0.08 83.23 2.98 1.95 11.39 82.10 1.49 0.01 0.03 0.05 102 K H H 137.51 2.10 11.75 14.68 94.03 53.16 -71.02 -29.58 35.59 0.25 64.16 7.45 5.09 23.25 61.80 2.13 0.03 0.09 0.16 103 H C H 124.69 3.90 9.43 14.86 98.77 51.28 -85.54 -5.58 61.39 0.29 38.33 29.50 1.93 28.15 38.20 1.93 0.00 0.10 0.19 104 H C C 136.14 3.35 10.93 15.83 102.33 96.85 -81.72 44.15 99.91 0.02 0.07 99.72 0.09 0.13 0.04 0.00 0.00 0.01 0.00