# 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 F C C 136.16 4.68 10.49 16.91 118.80 -165.58 -102.28 137.83 99.92 0.06 0.01 99.81 0.11 0.04 0.00 0.00 0.00 0.02 0.01 1 S C C 83.31 2.68 9.75 14.19 115.62 -155.72 -99.51 141.33 95.57 1.85 2.57 88.67 1.45 6.06 0.72 1.25 0.00 1.05 0.80 2 S C C 85.04 2.74 8.15 12.81 111.82 -128.48 -90.45 130.06 93.55 3.33 3.13 64.49 16.34 12.52 0.64 2.72 0.00 2.05 1.23 3 R C C 164.71 2.81 9.09 13.77 113.15 -160.96 -96.33 126.20 91.92 5.59 2.49 64.95 20.70 6.09 0.63 2.04 0.00 3.08 2.50 4 T C C 86.79 3.93 9.43 15.27 118.71 -142.07 -99.20 137.34 95.05 4.48 0.47 69.22 25.43 0.87 0.18 0.27 0.00 2.53 1.50 5 P C C 84.46 4.86 9.60 16.39 112.49 -106.50 -67.45 146.58 92.53 4.37 3.10 81.06 6.87 4.65 0.91 2.12 0.00 2.79 1.61 6 V C C 108.92 3.61 9.74 14.95 105.40 -133.48 -85.35 90.78 89.20 2.42 8.38 48.69 17.66 22.63 1.47 7.19 0.00 1.25 1.11 7 N C C 110.50 3.36 10.05 15.03 106.81 34.24 -94.42 87.05 91.00 1.63 7.37 43.52 21.31 25.98 1.18 6.39 0.00 0.79 0.81 8 E C C 128.97 4.00 9.90 15.54 105.13 165.68 -87.89 25.72 91.86 1.58 6.56 44.14 34.76 13.00 1.46 4.87 0.00 0.65 1.12 9 N C C 84.60 4.60 9.59 16.04 110.45 63.06 -100.84 107.24 98.35 0.67 0.98 72.92 23.41 2.01 0.49 0.43 0.00 0.24 0.51 10 P C T 92.08 4.27 9.76 16.13 93.61 -158.88 -64.32 -22.37 82.76 0.58 16.66 35.66 9.95 38.25 8.64 6.84 0.00 0.26 0.40 11 D C T 107.42 1.88 12.03 14.58 96.32 61.57 -77.47 -12.51 71.93 0.71 27.36 25.39 12.06 35.40 18.05 8.27 0.01 0.29 0.54 12 G H H 33.33 5.46 10.68 17.89 103.13 68.48 -59.96 -37.35 46.57 0.85 52.58 23.66 14.06 10.73 40.37 10.32 0.03 0.35 0.48 13 V H H 88.49 4.05 11.08 16.53 96.60 52.75 -71.71 -34.31 31.99 1.39 66.62 19.66 6.32 8.05 54.59 10.07 0.03 0.80 0.50 14 Q H H 114.10 2.91 12.03 15.97 97.90 58.93 -75.09 -29.78 29.64 2.46 67.89 18.54 5.66 7.68 54.89 10.84 0.05 1.59 0.75 15 Y H H 135.98 4.21 11.21 16.87 99.68 53.69 -78.75 -17.17 33.60 2.60 63.80 20.30 6.77 8.98 51.29 10.17 0.07 1.53 0.89 16 R H H 141.51 4.31 10.84 16.73 100.61 59.36 -81.86 6.59 43.02 2.79 54.19 25.49 7.34 12.26 43.33 8.83 0.07 1.55 1.13 17 R C H 157.20 3.05 11.25 15.76 100.67 65.97 -76.44 3.61 55.27 1.37 43.35 17.17 9.69 29.12 32.92 9.54 0.09 0.67 0.79 18 G C T 51.97 2.93 12.60 16.55 101.25 27.66 38.66 -10.81 68.21 1.02 30.77 20.15 13.08 35.61 21.99 8.06 0.03 0.47 0.61 19 F C C 135.18 3.69 12.13 17.08 102.60 65.25 -85.63 -2.96 67.70 3.53 28.77 35.80 16.32 16.11 21.74 6.68 0.04 1.70 1.62 20 V C C 62.86 9.23 9.51 19.98 116.43 83.10 -100.13 135.98 73.06 6.36 20.58 49.77 16.69 6.19 18.58 2.99 0.02 3.00 2.75 21 T C C 67.89 3.62 14.02 18.68 118.89 -133.87 -86.62 161.47 77.12 3.94 18.94 63.39 9.10 3.29 19.31 1.51 0.00 1.81 1.60 22 R H H 162.51 2.90 12.41 16.78 92.54 -109.40 -60.19 -37.45 8.77 0.15 91.08 3.50 1.82 4.02 88.21 2.30 0.02 0.08 0.06 23 H H H 136.12 1.45 14.48 15.70 92.29 52.11 -65.88 -40.02 6.50 0.12 93.38 1.80 0.93 3.98 90.47 2.67 0.03 0.07 0.04 24 Q H H 89.56 4.58 14.39 20.16 92.87 48.30 -66.75 -40.37 5.55 0.14 94.32 1.85 0.77 3.16 90.99 3.08 0.02 0.09 0.04 25 V H H 55.85 6.55 13.95 22.10 92.41 49.19 -65.38 -42.16 4.36 0.08 95.57 1.56 0.66 2.21 94.24 1.25 0.01 0.04 0.03 26 S H H 54.91 2.90 16.99 20.13 91.71 50.71 -63.87 -41.05 6.01 0.06 93.93 1.46 0.63 3.73 93.16 0.96 0.01 0.03 0.03 27 G H H 30.83 3.72 15.84 20.74 91.85 51.29 -63.75 -41.31 6.99 0.04 92.98 1.27 0.65 4.78 92.41 0.84 0.01 0.01 0.02 28 W H H 119.12 5.34 16.16 22.37 92.08 50.64 -64.66 -41.00 1.73 0.01 98.27 0.48 0.18 0.86 98.15 0.32 0.00 0.00 0.00 29 R H H 120.94 3.98 16.98 21.59 91.91 51.13 -63.97 -41.15 0.56 0.00 99.43 0.16 0.05 0.26 99.43 0.10 0.00 0.00 0.00 30 F H H 109.62 2.85 16.81 19.95 91.95 49.90 -64.49 -41.70 0.35 0.00 99.65 0.08 0.02 0.18 99.64 0.07 0.00 0.00 0.00 31 V H H 72.26 4.18 16.24 21.37 92.07 49.93 -64.58 -41.89 0.26 0.00 99.74 0.05 0.01 0.14 99.74 0.05 0.00 0.00 0.00 32 M H H 90.28 4.51 16.14 21.36 91.90 50.18 -64.22 -41.43 0.32 0.00 99.68 0.04 0.02 0.20 99.69 0.06 0.00 0.00 0.00 33 R H H 133.55 2.73 16.74 19.86 91.79 50.34 -64.31 -40.77 0.62 0.00 99.38 0.07 0.03 0.41 99.39 0.09 0.00 0.00 0.00 34 R H H 125.11 3.56 16.41 20.74 92.03 50.42 -64.94 -40.96 1.18 0.00 98.81 0.16 0.08 0.79 98.79 0.17 0.00 0.00 0.00 35 I H H 86.31 4.39 16.50 21.49 92.23 49.03 -65.16 -41.28 1.55 0.01 98.44 0.28 0.14 0.94 98.36 0.27 0.00 0.00 0.00 36 A H H 52.98 3.43 16.70 20.67 92.17 50.17 -64.66 -40.87 2.93 0.02 97.05 0.55 0.29 1.85 96.63 0.65 0.01 0.01 0.01 37 S H H 51.17 3.55 15.37 19.95 92.23 50.46 -65.67 -39.83 7.31 0.05 92.64 1.10 0.73 5.25 91.08 1.77 0.03 0.02 0.02 38 G H H 29.18 5.52 12.63 20.15 92.53 52.98 -64.77 -39.83 13.27 0.09 86.65 2.21 1.46 9.40 83.48 3.33 0.04 0.04 0.05 39 V H H 98.18 2.78 13.86 17.18 93.82 49.67 -69.18 -34.99 19.12 0.30 80.58 3.80 2.82 12.99 76.50 3.50 0.09 0.13 0.17 40 A H H 79.12 1.71 12.88 14.84 96.48 50.93 -77.58 -29.48 31.25 1.01 67.74 8.67 6.34 17.96 62.67 3.25 0.13 0.42 0.55 41 L C T 104.40 3.28 11.00 15.51 100.79 51.86 -87.26 7.43 65.92 0.91 33.17 20.36 13.64 31.62 30.28 3.21 0.03 0.34 0.53 42 H C C 148.16 2.84 11.80 16.30 98.93 -134.07 25.09 36.76 85.15 0.83 14.02 37.69 14.66 32.99 10.53 3.30 0.00 0.36 0.47 43 D C C 72.97 4.96 11.04 17.93 113.01 133.92 -103.68 115.81 91.10 1.20 7.70 79.23 7.84 4.18 5.25 2.19 0.00 0.50 0.81 44 T H G 87.66 5.08 10.84 17.85 95.67 -164.58 -73.69 -17.09 45.84 0.87 53.29 19.34 8.73 17.68 26.36 26.98 0.02 0.43 0.46 45 R H G 156.61 2.35 12.89 16.35 92.69 70.79 -68.41 -24.86 36.51 1.00 62.49 10.88 6.39 18.31 30.21 33.17 0.08 0.55 0.41 46 M H G 89.56 6.50 10.72 18.96 95.04 62.27 -74.39 -18.72 29.79 1.40 68.82 13.07 5.36 10.98 29.87 39.42 0.03 0.87 0.40 47 L H G 92.18 6.41 12.03 19.73 97.23 66.44 -78.60 -21.33 42.56 2.11 55.33 19.85 8.37 14.34 27.17 28.22 0.06 1.17 0.81 48 V C C 91.31 4.38 12.35 18.15 104.11 55.66 -93.47 2.72 59.57 2.24 38.19 24.65 19.13 17.29 22.09 14.42 0.11 0.92 1.40 49 D C C 69.15 6.02 10.65 18.63 110.40 88.65 -91.72 114.00 92.61 0.40 6.99 68.22 21.26 2.75 6.16 1.17 0.00 0.12 0.31 50 P C H 90.18 3.58 11.97 17.31 93.83 -154.12 -63.34 -28.57 53.16 0.26 46.58 13.50 6.61 33.01 38.45 8.12 0.02 0.11 0.18 51 L H H 104.81 2.88 12.62 16.40 94.28 57.99 -71.69 -24.37 42.44 0.36 57.20 10.72 5.70 26.36 48.39 8.39 0.05 0.17 0.23 52 R H H 116.95 5.19 12.47 19.15 94.55 60.86 -67.70 -37.32 25.53 0.46 74.01 15.43 4.66 6.61 65.64 7.23 0.01 0.22 0.19 53 T H H 74.28 4.16 14.01 19.23 93.17 53.60 -67.06 -39.87 16.51 0.31 83.18 9.82 2.85 4.87 78.55 3.63 0.01 0.16 0.12 54 Q H H 107.81 2.73 15.27 18.27 92.47 50.39 -66.02 -39.43 12.83 0.21 86.96 6.24 2.24 4.89 83.84 2.59 0.01 0.10 0.09 55 S H H 53.45 4.06 14.92 20.00 92.91 50.62 -66.14 -40.77 11.65 0.14 88.21 5.90 1.82 4.23 86.13 1.79 0.01 0.06 0.06 56 R H H 125.11 3.68 16.12 20.44 92.39 52.09 -65.26 -40.64 3.71 0.03 96.27 1.50 0.54 1.53 95.80 0.61 0.00 0.01 0.01 57 A H H 54.95 3.86 15.55 20.28 91.92 51.66 -64.75 -41.18 2.44 0.02 97.54 0.84 0.27 1.17 97.23 0.46 0.00 0.01 0.00 58 V H H 82.11 3.55 16.67 20.55 92.08 49.70 -65.48 -41.56 1.26 0.01 98.72 0.38 0.13 0.63 98.61 0.25 0.00 0.00 0.00 59 L H H 88.86 3.31 17.22 20.84 92.14 49.67 -64.74 -41.97 0.43 0.00 99.57 0.12 0.03 0.20 99.55 0.10 0.00 0.00 0.00 60 T H H 70.41 3.05 17.23 20.49 91.77 49.43 -64.36 -41.88 0.25 0.00 99.75 0.04 0.01 0.14 99.74 0.06 0.00 0.00 0.00 61 G H H 32.42 4.01 16.10 21.03 91.55 50.71 -63.43 -41.50 0.25 0.00 99.75 0.03 0.01 0.15 99.75 0.05 0.00 0.00 0.00 62 A H H 55.88 3.44 16.79 20.70 91.73 50.26 -64.89 -41.16 0.14 0.00 99.86 0.02 0.00 0.08 99.87 0.02 0.00 0.00 0.00 63 L H H 90.75 2.96 17.19 20.26 91.83 50.68 -64.77 -41.99 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 64 I H H 95.01 2.91 17.04 19.97 91.81 49.51 -64.87 -41.85 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 65 L H H 90.54 3.12 16.94 20.12 91.84 49.80 -64.98 -41.68 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 66 V H H 79.74 3.06 17.15 20.32 92.01 49.50 -64.95 -41.99 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 67 T H H 73.18 3.04 17.05 20.20 91.95 49.75 -64.37 -41.80 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 68 G H H 37.16 3.15 16.48 19.94 91.72 50.44 -64.35 -41.52 0.25 0.00 99.75 0.02 0.01 0.17 99.77 0.02 0.00 0.00 0.00 69 L H H 91.91 2.60 17.15 19.60 92.06 49.85 -64.94 -41.45 0.22 0.00 99.78 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 70 V H H 79.73 2.61 17.14 19.55 91.93 49.79 -64.18 -42.06 0.17 0.00 99.83 0.01 0.01 0.11 99.83 0.03 0.00 0.00 0.00 71 G H H 35.34 2.92 15.93 19.31 91.76 50.69 -63.53 -41.71 0.24 0.00 99.75 0.02 0.01 0.17 99.76 0.05 0.00 0.00 0.00 72 C H H 68.54 2.74 15.21 18.35 91.86 50.40 -64.83 -41.35 0.22 0.00 99.78 0.01 0.01 0.16 99.75 0.06 0.00 0.00 0.00 73 F H H 119.69 1.98 15.49 17.28 92.06 50.12 -64.71 -41.40 0.25 0.00 99.75 0.01 0.01 0.19 99.69 0.10 0.00 0.00 0.00 74 I H H 96.75 1.82 14.73 16.30 91.95 49.29 -64.44 -41.78 0.39 0.00 99.61 0.02 0.01 0.31 99.46 0.19 0.00 0.00 0.00 75 F H H 115.75 2.38 12.78 15.92 92.04 50.26 -65.24 -39.73 0.64 0.00 99.36 0.04 0.03 0.52 98.58 0.85 0.00 0.00 0.00 76 S H H 62.99 2.90 10.83 15.19 92.22 53.51 -66.37 -34.65 4.26 0.00 95.74 0.12 0.13 4.10 92.94 2.69 0.00 0.00 0.00 77 L H H 125.00 1.19 11.13 12.46 93.63 52.77 -71.66 -28.94 13.83 0.01 86.16 0.34 0.51 13.41 83.49 2.22 0.01 0.00 0.01 78 F H H 160.70 1.11 9.85 11.17 97.12 47.25 -86.48 -14.66 32.57 0.29 67.14 3.99 5.06 24.38 64.05 2.08 0.11 0.08 0.24 79 R C C 154.40 2.64 7.72 12.31 112.51 76.05 -95.95 115.81 99.45 0.44 0.10 92.35 6.66 0.49 0.07 0.02 0.00 0.18 0.23 80 P C C 101.19 2.41 11.26 15.21 111.90 -125.00 -67.81 144.91 99.96 0.03 0.01 99.86 0.09 0.03 0.00 0.00 0.00 0.01 0.00