# 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 129.06 3.73 10.37 15.70 115.14 -165.05 -94.30 130.79 99.87 0.12 0.01 99.82 0.08 0.03 0.00 0.00 0.00 0.05 0.01 1 A C C 86.80 2.40 8.14 12.33 114.81 -158.49 -92.70 136.74 95.36 3.55 1.09 89.33 1.26 5.14 0.37 0.47 0.00 2.12 1.32 2 G C C 55.78 2.12 8.10 11.79 117.04 23.73 -126.58 167.11 94.07 4.43 1.50 55.07 25.49 13.62 0.36 1.24 0.00 2.52 1.70 3 K C C 160.56 1.40 8.50 11.16 112.33 -99.15 -93.99 125.93 92.37 5.27 2.36 59.27 27.18 5.89 0.70 1.68 0.00 2.64 2.65 4 P C C 107.64 2.40 7.46 11.56 109.61 -132.73 -86.42 125.10 89.04 2.99 7.96 52.63 20.88 15.02 1.24 7.35 0.00 1.71 1.17 5 V C C 109.63 2.39 8.34 12.40 112.82 -149.66 -93.17 132.05 88.72 3.19 8.09 47.47 23.39 17.72 1.27 7.15 0.00 1.77 1.23 6 E C C 146.16 1.90 9.51 12.92 112.40 -126.77 -87.63 125.78 86.11 5.99 7.89 54.28 22.31 9.62 1.60 6.32 0.00 3.43 2.44 7 R C C 122.44 6.07 8.08 15.90 117.58 -156.15 -96.04 135.60 93.95 5.25 0.80 60.35 33.75 0.66 0.54 0.27 0.00 2.72 1.72 8 P C C 74.78 3.03 11.66 16.12 113.72 -107.22 -66.55 151.84 84.14 13.62 2.24 83.26 1.44 0.39 2.08 0.24 0.00 4.57 8.02 9 F H H 148.13 2.44 10.86 14.85 92.62 -113.87 -59.62 -36.76 6.07 0.05 93.88 1.59 0.98 3.54 90.69 3.15 0.01 0.02 0.02 10 S H H 69.12 2.21 12.70 15.61 92.16 55.72 -65.48 -37.45 2.54 0.02 97.44 0.49 0.27 1.62 94.15 3.44 0.00 0.01 0.01 11 D H H 75.65 3.86 13.04 18.27 92.67 51.43 -66.89 -38.15 1.02 0.02 98.96 0.31 0.11 0.54 95.29 3.73 0.00 0.01 0.00 12 I H H 85.49 3.78 13.46 18.55 92.62 51.30 -65.51 -41.18 1.33 0.03 98.64 0.34 0.15 0.77 96.84 1.88 0.00 0.02 0.00 13 L H H 91.08 2.53 15.23 18.01 92.39 49.39 -65.93 -40.79 3.73 0.10 96.18 0.94 0.48 2.28 95.01 1.20 0.01 0.06 0.03 14 T H H 63.43 3.72 14.60 19.47 92.47 50.02 -66.47 -40.85 11.21 0.20 88.59 3.17 1.60 6.08 88.11 0.87 0.01 0.09 0.08 15 S H H 52.04 4.02 14.54 19.88 92.65 52.18 -64.83 -40.94 13.69 0.23 86.08 5.81 1.84 5.37 86.12 0.67 0.01 0.10 0.08 16 I H H 95.05 2.40 15.93 18.33 92.18 49.67 -65.46 -41.38 3.99 0.09 95.92 1.87 0.56 1.46 95.69 0.36 0.00 0.04 0.02 17 R H H 130.39 2.63 15.71 18.76 92.18 50.55 -65.12 -40.77 1.61 0.05 98.34 0.68 0.17 0.73 98.10 0.27 0.00 0.03 0.01 18 Y H H 113.46 4.27 14.77 20.16 92.26 50.28 -64.96 -41.49 0.57 0.02 99.40 0.20 0.05 0.29 99.29 0.15 0.00 0.02 0.00 19 W H H 137.36 2.96 15.38 19.02 92.12 50.46 -64.57 -41.52 0.27 0.01 99.72 0.07 0.02 0.15 99.66 0.09 0.00 0.01 0.00 20 V H H 81.30 2.44 15.92 18.50 92.12 49.07 -64.65 -42.22 0.29 0.01 99.69 0.05 0.02 0.19 99.63 0.10 0.00 0.01 0.00 21 I H H 83.73 3.68 15.15 19.79 92.22 48.08 -65.45 -41.87 0.57 0.02 99.41 0.10 0.05 0.38 99.28 0.17 0.00 0.01 0.00 22 H H H 99.35 4.63 14.23 20.16 92.53 48.98 -66.72 -38.32 1.64 0.01 98.35 0.16 0.10 1.30 98.01 0.43 0.00 0.00 0.00 23 S H H 65.74 2.90 15.09 18.56 94.57 48.67 -72.26 -36.33 7.85 0.01 92.14 0.29 0.34 7.35 90.93 1.07 0.01 0.00 0.00 24 I H H 102.34 2.53 15.38 18.11 101.19 37.39 -89.28 -36.72 32.14 0.04 67.82 0.54 1.41 30.19 66.28 1.50 0.03 0.01 0.03 25 T H H 64.34 5.20 14.35 20.81 100.07 40.08 -86.95 -29.86 26.81 0.05 73.14 1.46 1.81 23.05 72.01 1.58 0.03 0.01 0.05 26 V H H 69.82 5.30 14.38 21.06 93.17 62.05 -63.49 -43.18 4.11 0.01 95.88 1.28 0.74 1.89 95.44 0.64 0.00 0.00 0.00 27 P H H 72.40 3.12 16.37 20.06 92.17 49.65 -64.40 -40.31 2.17 0.01 97.82 0.66 0.18 1.19 97.18 0.78 0.00 0.00 0.00 28 A H H 53.71 3.75 16.05 20.62 92.17 50.99 -65.31 -39.91 0.44 0.00 99.56 0.08 0.03 0.27 98.78 0.84 0.00 0.00 0.00 29 L H H 79.34 5.61 15.54 22.27 92.30 50.33 -65.49 -40.72 0.46 0.00 99.53 0.05 0.03 0.33 98.95 0.64 0.00 0.00 0.00 30 F H H 108.58 4.66 16.53 21.78 92.37 49.38 -65.35 -41.36 1.26 0.02 98.72 0.11 0.08 1.05 98.29 0.45 0.01 0.01 0.01 31 I H H 93.42 2.61 17.89 20.30 91.99 48.94 -64.74 -41.64 0.79 0.01 99.21 0.09 0.06 0.58 99.09 0.18 0.00 0.00 0.00 32 A H H 50.71 3.94 17.00 21.82 91.76 50.66 -63.66 -41.13 0.82 0.00 99.17 0.08 0.04 0.62 98.93 0.32 0.00 0.00 0.00 33 G H H 24.96 7.33 15.02 24.01 91.77 51.40 -64.22 -40.59 1.28 0.00 98.72 0.08 0.05 1.04 98.35 0.46 0.00 0.00 0.00 34 W H H 129.64 4.18 16.86 21.66 91.89 50.98 -64.45 -41.29 0.97 0.00 99.02 0.07 0.06 0.78 98.45 0.63 0.00 0.00 0.00 35 L H H 90.24 2.57 17.26 19.78 92.03 50.13 -65.03 -41.27 1.71 0.02 98.27 0.14 0.13 1.42 97.60 0.69 0.01 0.01 0.00 36 F H H 90.79 4.86 14.92 21.13 92.58 48.75 -65.50 -41.05 4.97 0.16 94.88 0.80 0.69 3.72 93.29 1.29 0.09 0.08 0.06 37 V H H 65.73 7.08 13.26 21.69 92.79 49.73 -66.10 -40.19 8.58 0.32 91.10 1.45 1.13 6.41 87.83 2.70 0.18 0.18 0.12 38 S H H 76.42 2.63 14.65 17.75 92.63 52.22 -68.05 -30.49 17.11 0.18 82.70 1.52 1.56 14.37 80.06 2.20 0.11 0.09 0.09 39 T C T 83.19 2.67 13.87 17.04 95.94 48.65 -87.66 -8.89 64.86 0.22 34.92 1.88 5.35 56.13 33.92 2.42 0.04 0.08 0.18 40 G C T 44.55 4.88 12.81 19.28 96.26 -114.82 77.78 5.69 84.82 0.34 14.84 7.64 9.51 66.26 14.29 1.93 0.01 0.14 0.23 41 L H H 88.37 3.87 14.11 19.23 96.28 113.98 -73.06 -32.89 43.87 0.61 55.52 24.34 7.34 13.21 47.35 7.14 0.01 0.29 0.31 42 A H H 37.48 8.15 12.27 22.08 95.26 56.44 -69.39 -35.16 25.07 0.82 74.11 10.29 4.62 11.41 62.19 10.56 0.10 0.50 0.34 43 Y H H 111.45 5.87 12.96 20.31 94.30 59.69 -67.62 -37.40 11.52 0.61 87.87 3.76 2.16 6.18 73.92 13.24 0.12 0.43 0.17 44 D H H 100.27 2.47 13.68 16.95 94.71 54.94 -70.22 -31.79 11.19 0.48 88.33 3.18 1.76 6.46 75.59 12.44 0.10 0.34 0.13 45 V H H 98.30 3.34 12.51 16.85 97.16 49.50 -75.44 -33.61 16.58 0.50 82.92 2.82 2.66 11.46 72.61 9.66 0.26 0.29 0.22 46 F H H 134.43 3.68 11.10 16.02 101.56 38.20 -96.89 -4.13 33.19 1.05 65.76 5.14 7.47 22.73 58.66 4.42 0.47 0.42 0.69 47 G C C 50.65 2.88 12.31 16.42 107.26 -107.10 82.16 16.17 96.45 0.95 2.60 37.35 22.98 36.54 1.28 0.97 0.00 0.45 0.43 48 T C C 86.06 4.06 10.86 16.72 119.60 57.66 -101.41 139.48 98.52 1.37 0.12 62.68 35.51 0.56 0.04 0.07 0.00 0.56 0.59 49 P C C 84.38 5.45 10.73 17.82 113.59 -104.88 -68.12 147.41 98.20 1.66 0.14 79.25 18.19 0.66 0.05 0.09 0.00 0.62 1.15 50 R C C 132.40 5.05 10.15 17.04 115.31 -116.03 -87.30 130.39 98.81 0.99 0.21 91.27 7.07 0.38 0.07 0.10 0.00 0.33 0.77 51 P C G 92.98 4.43 10.16 16.33 99.28 -121.01 -63.86 -22.28 61.38 0.79 37.83 21.69 8.30 29.98 3.43 35.85 0.00 0.41 0.34 52 N C G 122.03 2.29 10.95 14.25 100.23 55.56 -85.34 2.55 59.50 0.94 39.56 13.40 9.99 35.40 4.29 36.00 0.00 0.51 0.41 53 E C G 119.39 3.89 10.91 16.49 111.09 91.82 -91.78 112.08 54.16 2.71 43.13 25.25 13.40 16.10 4.76 37.98 0.00 1.56 0.94 54 Y C C 129.31 5.96 10.16 17.74 115.38 65.56 -106.04 131.11 74.18 8.86 16.96 47.29 16.99 9.81 5.66 11.03 0.03 4.31 4.88 55 F C C 98.43 7.60 8.31 17.48 118.45 -143.18 -104.67 133.54 88.60 8.74 2.66 72.97 13.00 1.76 1.69 1.08 0.00 4.24 5.26 56 T C C 73.27 3.24 11.01 15.74 119.07 -146.87 -93.70 161.56 94.78 2.43 2.79 83.74 9.21 1.75 2.01 0.82 0.00 1.24 1.24 57 E H H 147.15 1.72 10.05 12.91 94.18 -104.44 -62.12 -34.97 47.74 0.53 51.72 7.64 10.23 28.78 29.34 23.26 0.09 0.24 0.43 58 D H T 118.02 0.99 10.61 11.51 95.13 54.99 -73.01 -19.99 48.27 0.46 51.27 7.93 8.23 30.56 28.85 23.78 0.06 0.21 0.37 59 R H H 123.99 5.54 8.58 15.64 98.21 54.37 -86.88 -4.80 41.92 1.45 56.63 15.97 8.64 17.27 31.13 25.41 0.08 0.69 0.80 60 Q C C 113.37 4.41 9.68 15.78 98.00 85.17 -73.97 -22.42 58.71 1.57 39.72 29.86 12.41 17.29 27.85 11.00 0.03 0.71 0.85 61 E C C 147.26 1.45 12.46 14.03 101.38 61.78 -89.47 6.25 72.22 2.49 25.29 35.50 15.97 21.31 16.28 8.50 0.02 1.26 1.16 62 A C C 59.99 5.78 8.95 16.54 116.23 84.41 -87.04 139.35 93.03 2.26 4.71 54.30 37.24 1.74 3.83 0.94 0.00 1.17 0.79 63 P C C 82.35 5.01 11.62 18.22 112.31 -107.90 -68.06 145.51 85.25 7.94 6.82 80.61 2.84 1.95 5.37 1.51 0.00 4.72 3.00 64 L C C 112.10 4.16 11.05 16.89 112.98 -136.52 -89.31 130.30 69.74 16.61 13.65 48.98 15.43 5.05 11.00 3.47 0.08 9.10 6.88 65 I C C 95.82 6.48 9.04 17.07 112.61 -140.59 -93.70 121.12 58.45 19.41 22.14 43.92 9.31 5.05 18.40 4.64 0.09 13.34 5.25 66 T C C 89.85 3.48 11.47 16.42 107.61 -159.35 -95.88 11.07 61.93 7.45 30.63 38.38 13.52 10.20 25.82 5.12 0.05 5.42 1.49 67 D C C 89.47 3.15 13.10 17.02 109.08 11.50 -86.38 114.09 60.58 2.92 36.50 37.11 10.46 13.06 31.52 5.12 0.03 1.81 0.89 68 R H H 131.25 6.53 11.01 18.90 94.92 -152.93 -65.79 -34.80 26.12 0.74 73.14 10.98 5.14 11.14 65.58 6.39 0.06 0.44 0.28 69 F H H 130.34 2.41 13.85 16.80 93.79 53.94 -67.27 -35.45 21.19 0.51 78.30 7.02 3.82 11.19 71.58 5.83 0.07 0.30 0.20 70 N H H 85.08 2.65 15.54 18.42 93.49 51.71 -69.14 -34.78 20.68 0.44 78.88 11.58 3.49 6.63 74.00 3.90 0.01 0.23 0.16 71 A H H 33.74 7.50 12.22 21.87 92.56 57.86 -63.58 -41.47 4.45 0.06 95.49 2.31 0.66 1.57 94.52 0.89 0.00 0.03 0.01 72 L H H 80.03 4.55 15.15 20.96 92.17 50.85 -64.64 -40.76 1.27 0.02 98.71 0.48 0.15 0.58 98.33 0.44 0.00 0.01 0.00 73 E H H 105.93 1.74 16.77 17.69 92.05 50.57 -64.89 -40.77 0.86 0.01 99.12 0.30 0.09 0.42 98.79 0.38 0.00 0.01 0.00 74 Q H H 85.74 3.30 15.06 19.29 92.16 50.90 -64.96 -40.92 0.79 0.02 99.20 0.27 0.08 0.39 98.93 0.31 0.00 0.01 0.00 75 V H H 63.85 5.30 12.65 19.69 92.00 50.20 -64.30 -41.37 0.85 0.02 99.13 0.28 0.08 0.43 98.89 0.30 0.00 0.01 0.00 76 K H H 123.81 1.89 13.66 15.90 91.82 50.89 -64.44 -39.98 1.64 0.02 98.34 0.44 0.15 0.91 98.03 0.45 0.00 0.01 0.00 77 K H H 138.63 1.17 12.99 13.81 92.36 50.67 -66.04 -38.59 4.29 0.03 95.69 0.73 0.37 2.96 95.17 0.76 0.01 0.01 0.01 78 L H H 106.63 2.69 10.64 14.59 93.56 50.01 -69.97 -32.54 9.94 0.05 90.01 1.36 1.00 7.13 89.63 0.83 0.01 0.02 0.02 79 S H H 77.60 2.56 9.45 13.34 97.05 51.28 -83.16 -9.17 38.74 0.32 60.93 5.59 5.35 27.02 60.59 1.11 0.05 0.09 0.21 80 G C T 58.43 1.71 9.95 12.77 102.04 -76.39 61.57 8.36 87.11 0.28 12.61 37.27 2.60 45.78 13.13 0.93 0.00 0.11 0.18 81 N C C 116.21 2.59 10.09 14.39 107.86 117.36 -86.31 100.71 99.96 0.02 0.02 99.84 0.08 0.06 0.01 0.00 0.00 0.01 0.00