# 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 R C C 137.31 7.46 14.77 23.16 116.29 -158.16 -98.80 127.83 99.75 0.23 0.02 99.56 0.23 0.05 0.01 0.00 0.00 0.09 0.06 1 Y C C 95.06 10.06 10.79 21.94 117.79 -152.32 -103.32 129.08 94.92 4.21 0.87 92.66 1.76 0.85 0.42 0.29 0.00 2.24 1.79 2 P C C 91.44 4.28 15.35 20.74 99.86 -136.35 -70.54 -10.42 88.39 6.09 5.52 49.35 25.36 14.24 1.67 3.66 0.00 4.06 1.64 3 M C C 80.70 9.45 13.24 23.74 121.55 56.20 -111.61 139.53 68.68 23.60 7.72 42.46 15.85 10.26 3.22 4.71 0.12 14.57 8.80 4 A C C 38.69 11.78 12.84 25.68 114.48 -134.23 -87.64 133.33 64.45 29.83 5.73 53.41 6.41 3.18 3.00 2.99 0.02 20.60 10.39 5 V C C 74.21 8.14 14.74 24.23 121.16 -167.05 -113.42 136.82 64.29 30.27 5.44 42.44 14.78 6.72 2.73 3.17 0.10 19.19 10.87 6 G C C 34.85 6.47 14.96 22.57 122.24 19.77 102.73 -165.05 79.12 13.92 6.96 33.39 31.17 15.55 1.54 5.30 0.03 9.24 3.78 7 L C T 112.43 5.22 13.17 19.53 95.60 -51.45 -72.71 -21.30 83.22 4.25 12.54 14.01 29.72 40.01 1.77 10.34 0.02 2.45 1.66 8 N C T 96.19 4.67 11.59 17.73 101.75 62.04 -93.90 32.04 80.97 6.08 12.95 19.61 23.16 38.22 1.79 11.35 0.03 3.15 2.69 9 K C T 140.62 4.28 10.44 16.78 108.06 -129.68 -67.93 120.17 85.26 5.03 9.70 10.56 14.89 59.03 1.72 8.43 0.02 2.96 2.38 10 G C T 60.69 1.66 13.16 15.17 97.12 14.64 83.73 0.00 90.19 4.55 5.26 12.07 19.19 58.83 0.73 4.81 0.00 3.31 1.04 11 H C C 98.93 6.18 9.81 17.90 118.84 115.72 -91.99 141.86 80.74 16.23 3.03 55.00 21.46 4.30 1.07 2.17 0.01 10.21 5.78 12 K C C 148.18 2.25 14.11 17.48 113.13 -115.75 -75.42 136.97 68.54 29.95 1.50 59.97 5.37 1.55 0.82 0.79 0.00 17.26 14.25 13 V C C 77.78 10.24 8.88 19.68 116.64 -140.74 -92.79 135.96 79.36 19.48 1.16 69.10 8.05 1.47 0.65 0.63 0.00 13.24 6.87 14 T C C 64.55 5.50 11.61 18.79 124.14 -152.39 -108.41 155.84 84.00 14.79 1.20 73.87 7.83 1.68 0.60 0.64 0.00 8.71 6.67 15 K C T 167.65 1.42 12.06 14.25 93.86 -114.08 -67.64 -23.05 94.02 3.21 2.77 14.16 33.10 47.37 0.75 1.68 0.00 2.19 0.75 16 N C T 112.79 2.56 11.13 14.84 101.88 54.64 -90.24 29.81 94.85 3.00 2.16 24.52 24.95 45.78 0.50 1.50 0.00 2.09 0.66 17 V C C 76.20 8.34 7.92 17.30 109.25 127.41 -87.34 115.34 90.09 7.14 2.77 61.33 21.36 7.17 1.13 1.65 0.00 3.86 3.48 18 S C C 80.27 2.95 11.74 16.09 103.45 100.98 -87.35 -5.04 92.38 6.02 1.60 65.35 22.26 4.69 0.71 0.93 0.00 3.70 2.36 19 K C C 141.02 2.35 13.57 17.06 120.18 40.29 -97.28 142.55 94.42 3.64 1.94 55.59 37.64 1.49 1.42 0.62 0.00 2.10 1.13 20 P C C 75.75 8.36 10.64 20.46 114.31 -103.68 -65.51 146.47 92.70 4.58 2.72 84.87 5.66 1.88 1.56 1.10 0.00 2.50 2.44 21 R C C 109.84 7.65 10.86 20.04 116.50 -119.40 -84.80 145.59 90.61 3.18 6.21 81.25 6.66 2.43 3.57 2.41 0.00 1.24 2.43 22 H C C 129.03 3.58 13.59 18.48 100.73 -111.03 -69.24 -15.48 57.51 2.11 40.39 28.95 12.23 16.64 13.12 26.86 0.02 1.03 1.15 23 S C G 54.70 8.09 10.86 20.20 99.46 61.02 -76.62 -17.49 50.66 1.19 48.15 20.92 10.63 19.10 14.01 34.07 0.01 0.59 0.67 24 R H G 137.74 5.59 12.82 19.78 96.15 68.11 -80.63 -9.37 47.88 1.35 50.77 20.59 10.52 16.92 16.26 34.31 0.02 0.65 0.73 25 R C C 126.79 6.75 11.78 19.89 106.82 77.50 -87.74 47.36 58.66 2.04 39.31 30.57 11.96 16.21 15.20 23.87 0.02 0.91 1.26 26 R C C 147.24 4.63 12.33 18.45 108.65 94.16 -87.38 103.18 74.56 2.30 23.14 32.66 18.23 24.25 11.36 11.01 0.02 1.01 1.47 27 S C C 64.53 6.15 11.80 19.30 114.55 76.55 -90.85 146.42 82.09 1.90 16.02 34.44 23.18 24.95 6.17 9.26 0.01 0.89 1.10 28 R C C 157.63 3.46 13.45 18.31 113.82 -115.46 -85.75 132.21 84.77 3.72 11.51 64.14 12.65 7.63 5.38 6.08 0.00 1.78 2.33 29 L C C 86.47 9.76 9.94 20.48 110.73 -116.92 -79.13 125.96 88.96 3.84 7.21 73.81 10.49 4.26 4.36 2.77 0.00 1.66 2.64 30 T C C 64.20 5.63 11.80 19.00 122.45 -146.13 -94.13 161.43 92.04 3.05 4.91 77.54 11.33 2.81 3.70 1.28 0.00 1.07 2.27 31 N C T 127.70 1.64 13.05 15.22 93.19 -102.68 -64.24 -29.16 56.45 0.48 43.07 6.96 15.34 34.44 32.50 10.11 0.10 0.20 0.36 32 H C T 122.42 3.79 12.65 17.45 96.59 54.42 -79.13 -18.39 58.31 0.59 41.10 8.04 12.03 38.01 31.99 9.18 0.08 0.26 0.41 33 T H H 44.64 10.09 10.85 21.85 99.73 57.72 -83.42 -13.31 46.19 1.27 52.54 25.85 7.17 14.70 43.41 7.60 0.02 0.55 0.70 34 K H H 116.32 4.75 14.11 20.29 93.43 81.67 -63.23 -39.81 7.80 0.15 92.06 3.82 1.32 2.71 90.82 1.20 0.01 0.07 0.05 35 F H H 129.76 1.91 17.03 18.42 92.56 50.86 -65.37 -40.84 3.59 0.09 96.32 1.27 0.50 1.84 95.20 1.11 0.01 0.05 0.02 36 V H H 53.09 8.67 16.05 25.80 92.65 48.62 -65.90 -41.51 1.51 0.04 98.45 0.50 0.21 0.80 97.58 0.86 0.00 0.03 0.00 37 R H H 70.38 13.19 15.11 28.56 92.08 51.30 -64.08 -41.11 1.17 0.02 98.81 0.28 0.15 0.71 98.19 0.65 0.00 0.01 0.00 38 D H H 72.06 4.08 18.93 23.48 92.13 50.87 -64.70 -40.18 2.54 0.02 97.44 0.40 0.22 1.87 96.77 0.70 0.01 0.01 0.01 39 M H H 84.87 4.57 19.01 24.05 92.26 50.48 -65.55 -41.16 4.92 0.04 95.04 0.52 0.51 4.00 94.10 0.81 0.02 0.02 0.01 40 I H H 33.99 14.38 14.95 30.03 92.77 50.13 -65.82 -41.97 6.55 0.09 93.36 1.02 0.99 4.73 92.22 0.92 0.04 0.04 0.04 41 R H H 103.43 10.68 16.14 27.09 92.40 52.45 -64.32 -39.67 7.08 0.11 92.81 1.39 0.87 4.94 90.38 2.28 0.04 0.06 0.03 42 E H H 126.63 2.57 18.24 21.00 93.71 48.58 -69.99 -35.74 9.43 0.13 90.44 1.14 1.01 7.59 87.37 2.68 0.08 0.07 0.05 43 V H H 76.83 6.92 16.74 24.22 100.20 37.83 -86.76 -36.82 18.76 0.20 81.05 1.41 2.36 15.58 77.95 2.30 0.21 0.08 0.12 44 C H H 46.21 12.07 14.83 27.28 102.46 26.77 -100.95 -12.22 41.70 0.57 57.73 4.85 9.43 28.00 55.00 1.98 0.16 0.18 0.40 45 G C C 37.09 6.32 18.36 25.58 100.87 -116.81 82.22 1.17 94.25 0.95 4.80 33.44 31.00 30.09 2.65 1.88 0.00 0.40 0.53 46 F C C 66.53 14.01 14.74 28.80 118.76 78.62 -100.71 135.75 91.55 2.77 5.68 58.66 24.37 8.16 3.61 1.90 0.00 0.95 2.35 47 A C C 29.07 10.64 17.16 29.19 117.09 -119.80 -75.62 156.01 85.93 0.37 13.70 70.82 11.35 1.95 14.96 0.56 0.00 0.11 0.26 48 P H H 67.06 7.84 18.92 27.77 92.67 -108.77 -58.91 -36.17 10.56 0.05 89.39 2.56 1.76 6.21 87.96 1.45 0.02 0.02 0.03 49 Y H H 80.04 13.01 19.26 32.07 92.42 52.37 -65.35 -38.66 6.16 0.04 93.80 1.11 0.73 4.26 92.26 1.59 0.02 0.02 0.02 50 E H H 50.16 15.67 18.54 33.70 92.71 50.11 -66.14 -40.38 2.43 0.02 97.56 0.68 0.28 1.34 96.52 1.17 0.00 0.01 0.01 51 R H H 105.66 8.19 22.11 30.53 91.98 51.10 -65.10 -41.71 0.81 0.00 99.19 0.20 0.07 0.42 98.89 0.42 0.00 0.00 0.00 52 R H H 95.17 8.57 23.12 31.76 92.11 49.92 -64.82 -40.93 0.80 0.00 99.20 0.13 0.06 0.50 98.89 0.42 0.00 0.00 0.00 53 A H H 9.01 19.24 18.38 37.86 91.91 50.79 -64.32 -41.80 0.94 0.00 99.06 0.11 0.05 0.63 98.76 0.45 0.00 0.00 0.00 54 M H H 50.46 12.40 21.32 34.00 91.52 51.54 -63.26 -41.52 0.68 0.00 99.32 0.07 0.04 0.48 98.87 0.54 0.00 0.00 0.00 55 E H H 81.18 4.86 23.45 28.31 91.41 51.34 -63.98 -41.57 0.90 0.00 99.09 0.07 0.04 0.70 98.22 0.97 0.00 0.00 0.00 56 L H H 30.99 13.20 18.21 32.40 91.70 51.14 -64.55 -40.52 1.22 0.00 98.78 0.07 0.06 0.97 97.00 1.89 0.00 0.00 0.00 57 L H H 29.66 16.78 14.87 31.77 91.73 52.93 -65.84 -36.42 3.98 0.01 96.01 0.27 0.25 3.29 93.03 3.14 0.01 0.00 0.00 58 K H H 133.08 3.45 19.02 23.18 92.67 51.71 -70.40 -32.30 17.02 0.03 82.96 0.61 0.89 15.63 80.72 2.10 0.02 0.01 0.02 59 V H H 88.69 4.18 16.69 21.29 100.00 35.91 -96.31 -24.02 36.21 0.18 63.62 2.42 5.57 27.86 62.33 1.56 0.08 0.05 0.14 60 S C C 36.22 13.16 10.38 23.64 117.11 58.02 -106.03 143.74 89.10 0.72 10.18 48.43 19.47 20.73 8.91 1.62 0.00 0.23 0.61 61 K C C 167.71 1.40 16.86 18.17 95.96 -138.48 -54.98 7.87 97.41 0.47 2.12 48.24 33.30 16.03 0.98 0.95 0.00 0.18 0.31 62 S C C 36.14 10.99 10.84 23.37 108.68 124.91 -83.62 114.24 96.60 0.75 2.64 81.08 13.22 2.20 1.99 0.63 0.00 0.22 0.66 63 K H H 139.50 3.55 16.02 21.44 93.95 -166.94 -66.61 -30.96 9.57 0.05 90.38 3.62 2.21 3.45 89.84 0.84 0.00 0.01 0.03 64 R H H 129.65 3.45 19.56 23.04 91.99 58.23 -65.00 -40.60 2.34 0.01 97.65 0.48 0.28 1.38 97.11 0.73 0.00 0.00 0.00 65 A H H 10.97 16.01 15.20 32.34 91.98 50.39 -64.01 -42.29 0.91 0.01 99.08 0.24 0.09 0.48 98.29 0.90 0.00 0.00 0.00 66 L H H 29.19 15.24 16.32 32.09 91.64 51.51 -63.13 -41.85 0.41 0.00 99.58 0.09 0.04 0.21 99.17 0.49 0.00 0.00 0.00 67 K H H 112.22 2.45 23.22 24.55 91.66 50.70 -64.20 -41.78 0.45 0.00 99.55 0.07 0.03 0.27 99.38 0.24 0.00 0.00 0.00 68 F H H 62.28 7.59 20.15 28.78 91.77 49.58 -64.34 -42.66 0.73 0.00 99.26 0.08 0.05 0.52 99.06 0.30 0.00 0.00 0.00 69 I H H 10.87 19.74 13.79 34.04 91.57 49.78 -64.13 -42.40 1.15 0.01 98.84 0.13 0.11 0.79 98.78 0.18 0.00 0.00 0.00 70 K H H 90.93 9.68 15.98 26.38 91.79 51.85 -63.75 -39.41 1.59 0.00 98.40 0.16 0.12 1.10 98.34 0.26 0.00 0.00 0.00 71 K H H 152.58 1.16 18.61 18.42 92.48 50.49 -67.78 -36.23 3.21 0.01 96.78 0.13 0.15 2.84 96.44 0.43 0.00 0.00 0.00 72 R H H 123.03 6.03 16.43 23.30 99.53 35.92 -86.70 -36.19 7.72 0.01 92.26 0.16 0.40 7.28 91.70 0.43 0.02 0.00 0.01 73 V H H 47.60 12.05 12.27 24.95 104.49 25.22 -106.77 -17.71 18.33 0.09 81.58 1.24 3.45 12.71 82.11 0.35 0.05 0.02 0.06 74 G C C 46.81 2.80 16.91 20.23 104.39 -125.44 80.29 -11.77 99.05 0.31 0.64 50.31 43.10 5.71 0.33 0.24 0.00 0.11 0.21 75 T C C 62.34 3.50 17.28 21.25 132.76 25.03 -134.17 162.94 96.92 1.22 1.86 50.06 45.14 1.56 1.60 0.29 0.00 0.25 1.10 76 H H H 106.21 9.06 13.03 23.17 92.29 -111.18 -62.00 -35.79 9.89 0.07 90.04 2.37 4.86 3.04 89.18 0.49 0.01 0.01 0.04 77 I H H 113.21 1.57 19.01 19.32 91.91 53.46 -63.73 -42.45 2.43 0.01 97.56 0.31 0.32 1.53 97.43 0.40 0.00 0.00 0.00 78 R H H 95.57 5.33 18.35 24.61 91.95 47.40 -65.82 -39.88 0.97 0.00 99.03 0.19 0.09 0.57 98.67 0.47 0.00 0.00 0.00 79 A H H 7.31 17.39 12.32 30.80 91.06 52.34 -62.59 -42.88 0.39 0.00 99.61 0.08 0.03 0.20 99.50 0.20 0.00 0.00 0.00 80 K H H 104.93 4.50 20.64 25.49 91.55 50.59 -63.95 -41.20 0.29 0.00 99.71 0.05 0.02 0.16 99.70 0.08 0.00 0.00 0.00 81 R H H 130.30 1.95 21.86 22.22 91.63 49.67 -64.48 -41.75 0.21 0.00 99.79 0.03 0.01 0.12 99.80 0.05 0.00 0.00 0.00 82 K H H 60.78 12.28 17.72 30.45 92.33 49.45 -65.57 -40.58 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 83 R H H 83.67 13.61 17.35 30.73 91.61 52.12 -63.18 -41.41 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 84 E H H 111.33 1.92 22.32 22.55 91.63 49.87 -64.12 -41.78 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 85 E H H 91.82 4.30 21.21 25.60 91.52 49.21 -64.95 -41.46 0.23 0.00 99.77 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 86 L H H 25.34 16.25 15.97 32.81 91.91 49.84 -64.57 -41.17 0.42 0.00 99.58 0.04 0.02 0.27 99.59 0.08 0.00 0.00 0.00 87 S H H 49.53 6.51 19.76 27.05 91.43 52.13 -63.50 -40.38 0.65 0.00 99.35 0.07 0.03 0.42 99.39 0.08 0.00 0.00 0.00 88 N H H 96.00 2.04 21.92 22.51 92.12 50.02 -65.57 -40.31 0.54 0.00 99.46 0.07 0.03 0.33 99.51 0.06 0.00 0.00 0.00 89 V H H 47.15 8.94 18.47 28.62 92.02 50.22 -64.44 -42.94 0.19 0.00 99.81 0.03 0.01 0.11 99.80 0.04 0.00 0.00 0.00 90 L H H 50.24 10.14 17.14 28.45 91.55 49.67 -63.83 -41.55 0.14 0.00 99.86 0.02 0.01 0.08 99.85 0.04 0.00 0.00 0.00 91 A H H 53.67 2.83 18.60 21.38 91.48 50.80 -63.08 -41.61 0.13 0.00 99.87 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 92 A H H 51.36 3.18 16.59 20.43 91.62 50.37 -64.32 -41.01 0.20 0.00 99.80 0.02 0.01 0.12 99.80 0.05 0.00 0.00 0.00 93 M H H 77.69 7.31 13.60 22.41 92.35 50.22 -65.50 -39.78 0.50 0.00 99.50 0.05 0.03 0.32 99.50 0.11 0.00 0.00 0.00 94 E H H 119.89 2.98 13.34 17.53 91.98 51.15 -65.18 -38.09 2.17 0.00 97.83 0.21 0.13 1.50 97.89 0.27 0.00 0.00 0.00 95 E H H 147.25 0.95 12.99 13.45 92.91 51.34 -67.81 -32.63 11.64 0.02 88.34 1.02 0.72 8.92 88.78 0.55 0.01 0.00 0.01 96 A H H 74.05 2.80 10.05 14.22 95.76 55.18 -76.25 -20.30 35.58 0.13 64.30 11.05 1.11 20.84 66.17 0.70 0.00 0.04 0.09 97 A C C 67.99 5.59 11.11 18.13 101.95 83.23 -74.22 7.84 99.74 0.04 0.22 99.14 0.23 0.35 0.24 0.01 0.00 0.02 0.01