# 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 K C C 130.01 3.66 11.51 16.68 111.16 -146.16 -85.01 132.70 99.87 0.02 0.11 99.77 0.07 0.05 0.09 0.00 0.00 0.01 0.00 1 N C C 94.76 2.67 9.69 13.67 110.08 -138.47 -82.63 139.56 73.29 0.68 26.02 69.68 0.76 2.24 26.25 0.50 0.00 0.20 0.36 2 V H H 108.28 1.57 9.14 11.63 94.67 -118.34 -64.49 -36.11 7.50 0.04 92.45 3.52 1.12 2.60 92.10 0.63 0.00 0.02 0.02 3 L H H 108.02 1.27 10.61 12.08 92.96 53.80 -66.17 -39.09 3.04 0.03 96.93 1.13 0.40 1.37 96.52 0.56 0.00 0.01 0.01 4 K H H 115.86 1.74 11.74 13.96 92.80 50.57 -65.54 -40.31 1.65 0.02 98.32 0.71 0.22 0.71 97.85 0.49 0.00 0.01 0.00 5 I H H 88.52 2.19 11.83 14.89 92.23 50.12 -64.85 -41.52 0.94 0.01 99.05 0.40 0.11 0.38 98.91 0.19 0.00 0.00 0.00 6 R H H 136.80 1.52 13.24 14.68 91.89 50.09 -64.87 -40.71 0.64 0.00 99.35 0.20 0.06 0.30 99.33 0.11 0.00 0.00 0.00 7 R H H 140.22 1.44 13.68 14.82 92.15 50.23 -65.35 -40.18 0.66 0.00 99.33 0.15 0.05 0.36 99.31 0.12 0.00 0.00 0.00 8 R H H 134.85 1.72 13.95 15.65 92.15 49.81 -65.42 -40.56 0.76 0.00 99.24 0.15 0.06 0.44 99.22 0.13 0.00 0.00 0.00 9 K H H 116.43 1.75 14.45 16.07 91.95 50.01 -65.17 -40.49 1.24 0.00 98.76 0.24 0.10 0.74 98.75 0.18 0.00 0.00 0.00 10 M H H 98.95 1.78 14.47 16.08 91.92 50.09 -65.16 -40.81 1.66 0.00 98.33 0.35 0.14 0.95 98.34 0.22 0.00 0.00 0.00 11 N H H 83.93 1.96 14.46 16.48 92.14 50.25 -64.88 -40.43 2.52 0.00 97.47 0.51 0.21 1.48 97.53 0.27 0.00 0.00 0.00 12 H H H 110.86 1.85 14.56 16.34 91.92 50.19 -64.90 -40.72 1.85 0.00 98.15 0.37 0.16 1.05 98.19 0.23 0.00 0.00 0.00 13 H H H 108.72 1.69 14.66 16.01 91.95 50.35 -65.07 -41.01 1.11 0.00 98.89 0.31 0.10 0.56 98.86 0.17 0.00 0.00 0.00 14 K H H 117.84 1.67 14.84 16.18 91.89 50.55 -64.90 -41.01 0.72 0.00 99.28 0.16 0.06 0.38 99.27 0.13 0.00 0.00 0.00 15 Y H H 130.88 1.89 14.37 16.30 92.04 49.43 -65.25 -41.12 0.47 0.00 99.53 0.09 0.04 0.26 99.52 0.09 0.00 0.00 0.00 16 R H H 139.94 1.47 15.06 15.94 91.70 50.05 -64.76 -40.71 0.37 0.00 99.63 0.07 0.03 0.20 99.64 0.07 0.00 0.00 0.00 17 K H H 115.76 1.63 15.02 16.21 91.69 49.81 -64.79 -41.07 0.44 0.00 99.55 0.07 0.03 0.26 99.57 0.07 0.00 0.00 0.00 18 L H H 89.95 2.08 14.64 16.86 92.03 49.80 -64.48 -41.32 0.49 0.00 99.51 0.08 0.03 0.28 99.54 0.07 0.00 0.00 0.00 19 V H H 82.00 1.92 14.89 16.73 91.71 50.05 -64.15 -41.19 0.55 0.00 99.45 0.09 0.04 0.30 99.50 0.07 0.00 0.00 0.00 20 K H H 117.93 1.59 15.45 16.44 91.72 50.17 -64.52 -40.69 0.72 0.00 99.28 0.12 0.05 0.41 99.33 0.09 0.00 0.00 0.00 21 K H H 117.13 1.71 15.11 16.47 91.88 49.90 -65.32 -40.56 0.84 0.00 99.16 0.14 0.05 0.47 99.24 0.09 0.00 0.00 0.00 22 T H H 71.68 2.08 14.83 16.99 91.80 50.01 -64.99 -40.77 0.56 0.00 99.44 0.11 0.04 0.28 99.50 0.07 0.00 0.00 0.00 23 R H H 133.85 1.62 15.18 16.31 91.70 50.53 -64.55 -40.94 0.34 0.00 99.66 0.05 0.02 0.18 99.70 0.05 0.00 0.00 0.00 24 F H H 114.31 1.76 14.74 16.27 91.86 49.67 -64.69 -41.27 0.27 0.00 99.73 0.04 0.01 0.15 99.75 0.05 0.00 0.00 0.00 25 L H H 93.48 1.76 14.82 16.34 91.69 50.10 -64.01 -41.22 0.22 0.00 99.78 0.03 0.01 0.13 99.79 0.04 0.00 0.00 0.00 26 R H H 137.56 1.53 14.79 15.85 91.79 49.81 -65.00 -40.52 0.29 0.00 99.71 0.03 0.02 0.18 99.72 0.05 0.00 0.00 0.00 27 R H H 134.75 1.66 14.68 16.08 91.89 50.51 -65.03 -40.62 0.31 0.00 99.69 0.04 0.02 0.19 99.71 0.05 0.00 0.00 0.00 28 K H H 123.06 1.55 15.03 16.11 91.88 49.84 -64.88 -40.92 0.45 0.00 99.55 0.06 0.03 0.27 99.56 0.08 0.00 0.00 0.00 29 V H H 85.70 1.72 15.20 16.48 92.02 49.02 -64.68 -41.92 0.71 0.00 99.29 0.13 0.04 0.41 99.31 0.11 0.00 0.00 0.00 30 Q H H 99.86 1.81 15.37 16.83 91.83 49.44 -64.64 -41.14 0.94 0.00 99.06 0.18 0.06 0.54 99.09 0.13 0.00 0.00 0.00 31 E H H 102.69 1.95 15.41 17.19 91.70 49.63 -64.55 -40.80 0.96 0.00 99.03 0.13 0.06 0.59 99.08 0.13 0.00 0.00 0.00 32 G H H 34.16 2.28 14.88 17.59 91.62 50.61 -63.85 -41.33 1.55 0.00 98.45 0.21 0.10 0.99 98.53 0.17 0.00 0.00 0.00 33 R H H 128.99 1.79 15.39 16.79 92.16 50.33 -65.61 -40.30 1.24 0.00 98.75 0.24 0.10 0.69 98.80 0.17 0.00 0.00 0.00 34 L H H 89.89 2.08 14.96 17.14 91.79 50.38 -64.57 -40.95 0.91 0.00 99.09 0.18 0.07 0.47 99.12 0.15 0.00 0.00 0.00 35 R H H 138.21 1.66 15.37 16.65 91.84 49.97 -64.50 -40.78 0.97 0.00 99.02 0.18 0.07 0.53 99.07 0.15 0.00 0.00 0.00 36 R H H 137.61 1.61 15.34 16.46 91.98 50.14 -64.86 -40.58 0.89 0.00 99.11 0.16 0.06 0.47 99.17 0.14 0.00 0.00 0.00 37 K H H 116.40 1.80 15.39 16.92 91.91 50.04 -64.85 -40.70 0.82 0.00 99.18 0.17 0.06 0.41 99.23 0.14 0.00 0.00 0.00 38 Q H H 95.70 2.26 15.17 17.63 91.89 50.61 -64.44 -40.65 1.21 0.00 98.78 0.25 0.08 0.65 98.83 0.19 0.00 0.00 0.00 39 I H H 90.51 2.17 15.40 17.61 91.99 49.89 -64.77 -41.59 1.60 0.00 98.40 0.30 0.11 0.91 98.47 0.20 0.00 0.00 0.00 40 K H H 115.28 1.83 15.97 17.36 92.03 49.92 -64.52 -41.55 1.19 0.00 98.81 0.28 0.09 0.60 98.85 0.18 0.00 0.00 0.00 41 F H H 111.44 2.27 15.28 17.74 91.95 49.59 -64.65 -41.63 0.94 0.00 99.06 0.18 0.07 0.51 99.04 0.19 0.00 0.00 0.00 42 E H H 102.31 2.73 15.56 18.82 91.99 49.97 -64.79 -40.64 1.41 0.00 98.59 0.24 0.10 0.84 98.58 0.23 0.00 0.00 0.00 43 K H H 110.69 2.07 16.24 18.06 92.02 49.81 -64.97 -40.80 1.82 0.00 98.18 0.26 0.14 1.14 98.24 0.20 0.00 0.00 0.00 44 D H H 77.82 2.16 16.24 18.24 91.86 50.42 -64.80 -40.92 2.00 0.00 98.00 0.47 0.17 1.02 98.15 0.18 0.00 0.00 0.00 45 L H H 79.20 3.78 14.97 19.90 92.07 50.56 -64.93 -40.50 1.47 0.00 98.53 0.30 0.11 0.80 98.64 0.16 0.00 0.00 0.00 46 R H H 123.84 3.39 15.29 19.58 91.87 50.90 -64.33 -40.64 0.99 0.00 99.01 0.23 0.07 0.47 99.11 0.11 0.00 0.00 0.00 47 R H H 132.56 1.67 16.26 17.23 91.97 50.91 -64.47 -40.99 0.89 0.00 99.11 0.26 0.07 0.39 99.17 0.11 0.00 0.00 0.00 48 I H H 87.92 2.28 15.35 17.78 92.15 49.37 -64.68 -41.90 0.60 0.01 99.39 0.13 0.05 0.32 99.35 0.13 0.00 0.00 0.00 49 W H H 99.76 4.98 12.11 19.08 92.45 50.03 -64.85 -41.33 0.75 0.01 99.25 0.14 0.06 0.44 99.09 0.26 0.00 0.00 0.00 50 L H H 98.00 3.00 12.67 16.89 92.25 50.57 -64.90 -40.33 1.32 0.01 98.67 0.17 0.09 0.92 98.27 0.55 0.00 0.00 0.00 51 K H H 158.10 0.88 13.25 13.43 91.74 52.56 -66.87 -30.82 6.31 0.01 93.68 0.20 0.25 5.85 93.12 0.56 0.01 0.00 0.00 52 A C T 71.68 2.57 10.61 14.46 94.36 53.27 -86.56 -4.14 75.29 0.02 24.68 0.40 1.23 73.18 24.31 0.84 0.00 0.01 0.02 53 G C T 59.16 1.18 13.21 14.14 96.05 -106.38 81.75 11.09 99.48 0.01 0.51 1.18 1.53 96.95 0.26 0.07 0.00 0.00 0.00 54 L C C 82.90 6.56 7.78 16.00 108.48 129.64 -89.09 106.35 97.54 0.58 1.89 82.43 10.98 3.98 0.50 1.39 0.00 0.22 0.49 55 K C S 153.63 2.13 11.90 15.16 103.16 140.85 -89.90 -15.51 97.24 1.12 1.65 40.98 49.46 6.73 0.29 1.39 0.00 0.50 0.64 56 E C C 145.30 1.44 14.47 16.00 120.05 36.06 -107.35 139.40 97.51 1.70 0.80 56.56 38.51 2.26 0.17 0.61 0.00 0.59 1.29 57 A C C 52.28 10.40 7.85 18.87 117.73 -114.68 -73.08 147.98 99.71 0.25 0.04 96.72 2.96 0.07 0.01 0.01 0.00 0.09 0.14 58 P C C 71.35 4.97 9.66 16.67 114.45 -104.16 -66.60 152.23 99.36 0.33 0.32 96.94 1.55 0.90 0.06 0.19 0.00 0.11 0.25 59 E C T 171.51 0.49 10.43 10.34 109.01 -89.35 -64.49 135.15 98.82 0.27 0.91 1.79 9.63 87.31 0.06 0.90 0.00 0.13 0.18 60 G C T 66.89 0.47 10.93 10.21 97.82 15.54 83.68 -0.87 98.98 0.22 0.80 3.69 8.52 86.64 0.06 0.88 0.00 0.14 0.07 61 W C C 133.84 6.53 5.72 13.62 119.03 121.96 -89.13 144.38 94.25 5.39 0.36 88.46 5.09 0.68 0.09 0.27 0.00 2.79 2.62 62 Q C C 142.48 1.13 11.68 13.42 120.02 -156.71 -113.89 135.49 90.40 9.43 0.17 86.17 4.29 0.40 0.06 0.11 0.00 5.31 3.67 63 T C C 90.34 5.36 8.28 15.72 116.45 -121.56 -81.81 138.03 96.55 3.36 0.09 89.34 6.98 0.32 0.02 0.06 0.00 2.88 0.40 64 P C C 81.29 4.78 8.38 15.23 115.14 -108.02 -67.57 148.85 95.40 3.27 1.33 88.24 5.15 2.25 0.32 0.90 0.00 2.29 0.85 65 K C C 166.83 1.09 9.41 11.42 110.85 -123.20 -84.93 126.92 88.66 4.95 6.39 58.57 21.27 8.84 1.37 5.16 0.00 2.82 1.97 66 I C C 130.52 2.26 6.62 10.76 113.27 -150.42 -98.51 122.19 83.60 7.03 9.37 48.89 20.69 14.41 1.66 7.84 0.00 4.54 1.96 67 Y C C 182.87 1.42 6.81 9.73 112.68 -158.09 -99.40 120.58 88.31 4.88 6.81 77.79 2.49 8.87 1.60 4.27 0.00 3.42 1.56 68 L C C 127.78 2.41 8.94 12.97 108.52 -161.95 -94.05 97.75 99.85 0.13 0.01 99.81 0.07 0.03 0.00 0.00 0.00 0.07 0.01