# 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 107.36 5.65 12.95 19.82 109.45 -140.00 -86.36 112.66 99.53 0.16 0.31 99.38 0.14 0.13 0.22 0.02 0.00 0.06 0.04 1 A C C 68.99 4.62 10.79 16.80 99.04 146.24 -73.00 -30.79 62.39 0.94 36.67 49.84 1.42 9.33 37.03 1.53 0.00 0.43 0.42 2 G C H 46.34 3.20 11.69 15.95 100.01 52.24 -65.76 -36.74 52.91 0.94 46.14 30.50 8.15 13.81 44.52 2.18 0.01 0.37 0.46 3 R H H 149.77 2.26 12.32 15.36 94.79 55.67 -68.17 -37.66 17.35 0.35 82.31 10.82 3.23 4.22 80.06 1.39 0.00 0.15 0.13 4 I H H 88.94 4.46 12.97 18.63 93.13 51.74 -66.81 -40.47 5.84 0.11 94.05 3.24 0.90 1.87 93.07 0.82 0.00 0.05 0.03 5 S H H 48.31 4.70 13.68 19.93 92.59 51.87 -64.54 -40.83 2.36 0.04 97.60 1.17 0.33 0.90 97.06 0.51 0.00 0.02 0.01 6 A H H 52.93 2.76 15.55 18.85 92.24 51.08 -64.52 -41.09 0.91 0.01 99.07 0.35 0.11 0.42 98.81 0.29 0.00 0.01 0.00 7 F H H 104.01 3.76 15.82 20.43 92.35 50.09 -65.08 -41.95 0.49 0.01 99.50 0.14 0.05 0.26 99.37 0.17 0.00 0.00 0.00 8 L H H 70.79 7.25 14.65 23.10 92.46 49.27 -65.17 -41.01 0.50 0.01 99.49 0.12 0.04 0.29 99.39 0.15 0.00 0.00 0.00 9 K H H 114.77 3.45 16.60 20.68 92.13 50.34 -64.63 -41.22 0.80 0.01 99.19 0.14 0.06 0.54 99.06 0.20 0.00 0.00 0.00 10 N H H 91.85 2.05 17.33 18.77 92.83 48.78 -66.03 -40.05 2.04 0.01 97.95 0.21 0.13 1.61 97.68 0.37 0.00 0.00 0.00 11 A H H 39.97 6.50 13.76 22.08 92.57 50.81 -66.34 -39.23 6.40 0.02 93.58 0.52 0.43 5.25 92.53 1.25 0.01 0.00 0.01 12 W H H 112.45 8.65 12.54 22.37 92.50 51.75 -69.90 -29.13 23.58 0.12 76.29 2.45 1.86 19.05 72.78 3.67 0.05 0.05 0.09 13 A C H 76.89 2.69 14.17 17.62 93.32 61.29 -73.53 -17.93 50.45 0.28 49.27 5.46 4.69 39.08 47.10 3.34 0.04 0.11 0.19 14 K C T 148.55 1.67 14.06 15.74 100.82 54.41 -89.14 -10.41 66.05 0.58 33.37 9.42 14.80 41.08 30.81 3.26 0.04 0.21 0.39 15 E C S 92.02 7.13 10.61 19.21 119.31 24.11 -104.53 138.83 94.86 0.88 4.25 28.94 62.66 2.95 4.04 0.56 0.00 0.27 0.58 16 P C C 69.13 4.70 13.60 19.74 111.10 -103.05 -67.09 142.12 90.30 1.70 8.00 85.04 2.42 2.32 7.83 0.78 0.00 0.63 0.98 17 V H H 85.98 7.11 11.67 20.26 93.99 -127.07 -62.29 -36.76 10.90 0.30 88.80 5.49 2.47 3.91 86.68 1.19 0.02 0.11 0.12 18 L H H 107.72 2.32 14.97 17.72 92.51 54.56 -65.33 -39.04 3.62 0.12 96.25 1.06 0.53 2.08 95.08 1.13 0.02 0.08 0.03 19 V H H 78.08 2.90 16.02 19.25 92.70 48.10 -66.62 -41.13 1.75 0.06 98.19 0.56 0.22 0.96 97.01 1.18 0.01 0.05 0.01 20 V H H 50.04 7.91 14.24 23.76 92.07 50.32 -64.82 -41.95 1.14 0.03 98.83 0.34 0.13 0.60 98.09 0.82 0.00 0.02 0.00 21 S H H 42.89 6.80 15.09 23.51 91.85 50.98 -63.99 -40.80 1.68 0.02 98.30 0.33 0.14 1.06 97.69 0.77 0.00 0.01 0.00 22 F H H 119.15 2.32 18.08 20.00 92.18 49.58 -65.57 -40.52 2.17 0.01 97.82 0.26 0.16 1.60 97.01 0.96 0.01 0.01 0.01 23 S H H 52.35 4.40 16.98 22.10 92.45 50.09 -65.29 -41.64 3.34 0.03 96.64 0.41 0.26 2.52 95.59 1.19 0.01 0.01 0.01 24 V H H 60.15 8.40 15.78 25.09 92.62 49.28 -65.47 -41.38 4.28 0.03 95.69 0.45 0.33 3.39 94.07 1.71 0.01 0.01 0.01 25 W H H 132.40 4.83 16.91 22.54 92.09 50.34 -64.49 -40.86 6.37 0.04 93.59 0.58 0.47 5.19 89.19 4.51 0.02 0.02 0.02 26 G H H 37.98 2.55 17.31 19.77 92.05 50.47 -65.14 -40.64 12.69 0.04 87.27 0.79 0.67 11.17 80.55 6.75 0.03 0.02 0.02 27 L H H 77.48 5.54 15.79 22.35 92.68 50.21 -68.34 -36.69 9.21 0.05 90.74 0.96 0.74 6.95 78.50 12.76 0.03 0.03 0.02 28 A H H 39.67 9.68 12.39 23.42 92.16 55.86 -64.36 -35.90 11.17 0.12 88.71 1.14 0.85 7.83 66.43 23.60 0.04 0.08 0.05 29 I H H 113.40 2.55 15.88 18.80 92.92 51.11 -71.25 -28.55 24.72 0.15 75.13 1.01 1.21 20.83 53.88 22.81 0.08 0.08 0.09 30 I H H 114.20 2.19 15.21 17.37 96.27 48.75 -81.09 -22.94 32.93 0.32 66.75 1.81 3.17 26.78 51.11 16.45 0.28 0.16 0.25 31 M H H 78.47 8.56 10.66 20.44 104.61 77.48 -85.39 89.02 40.26 0.96 58.78 21.00 12.09 8.03 31.12 26.86 0.02 0.43 0.44 32 P H G 80.95 5.97 12.16 19.61 94.27 -138.77 -65.32 -28.05 14.42 0.29 85.29 3.50 1.73 8.53 28.11 57.86 0.00 0.21 0.06 33 M H G 136.23 2.07 14.02 16.59 94.19 60.05 -74.60 -19.76 16.39 0.43 83.18 2.38 2.01 10.96 28.82 55.41 0.03 0.28 0.11 34 I H G 107.47 4.19 13.03 18.39 99.99 49.18 -94.77 -5.27 31.99 1.57 66.44 6.28 7.05 18.54 24.45 41.90 0.19 0.82 0.77 35 S C C 40.85 10.81 9.14 20.92 113.50 98.98 -96.14 123.49 95.44 2.41 2.15 49.21 44.34 2.06 1.33 0.68 0.00 0.82 1.56 36 P C C 84.52 4.47 13.88 19.66 98.00 -146.99 -67.83 -18.68 84.25 2.22 13.52 34.69 26.21 23.92 8.82 4.20 0.01 0.99 1.16 37 Y C C 126.55 6.31 12.60 20.09 101.32 55.61 -86.41 20.17 71.89 2.98 25.12 35.76 17.18 19.61 19.65 4.92 0.05 1.26 1.57 38 T H H 67.30 6.21 12.78 20.41 101.58 92.61 -72.53 -42.82 46.56 1.43 52.01 31.02 8.68 7.59 48.06 3.35 0.02 0.58 0.69 39 K H H 143.71 1.94 15.36 17.24 93.44 31.71 -65.83 -37.30 12.30 0.22 87.48 4.34 2.78 6.07 84.27 2.30 0.04 0.10 0.10 40 Y H H 121.11 3.95 15.74 20.49 93.21 49.44 -67.32 -39.80 6.22 0.13 93.66 2.03 1.04 3.42 91.65 1.73 0.02 0.07 0.04 41 A H H 30.14 9.73 12.76 24.15 92.36 52.29 -64.87 -40.88 2.54 0.04 97.43 1.05 0.35 1.12 96.52 0.93 0.00 0.02 0.01 42 S H H 50.66 4.68 15.82 21.75 92.03 51.59 -64.41 -40.56 1.48 0.03 98.49 0.54 0.17 0.71 97.93 0.62 0.00 0.02 0.01 43 M H H 98.06 2.37 17.35 19.40 92.22 49.92 -65.41 -40.82 1.09 0.03 98.88 0.29 0.11 0.62 98.34 0.61 0.00 0.02 0.00 44 I H H 66.39 6.94 14.75 23.19 92.50 49.26 -65.77 -40.72 1.28 0.02 98.70 0.25 0.11 0.80 98.16 0.65 0.00 0.01 0.00 45 N H H 65.83 9.68 12.71 23.46 92.29 51.89 -66.19 -34.72 3.89 0.02 96.09 0.49 0.28 2.90 95.10 1.21 0.01 0.01 0.01 46 K H H 148.94 1.83 15.68 17.78 92.44 54.51 -69.78 -26.81 14.60 0.02 85.38 0.55 0.65 13.54 83.86 1.36 0.02 0.01 0.02 47 A H H 75.64 2.83 14.05 17.33 96.58 47.78 -84.61 -12.54 27.45 0.10 72.45 1.26 2.71 23.42 71.33 1.12 0.06 0.03 0.07 48 T C S 53.32 9.18 9.92 20.53 119.95 62.25 -116.47 128.15 97.63 1.40 0.97 27.00 69.46 1.21 0.72 0.23 0.00 0.42 0.96 49 P C C 88.07 4.31 13.52 19.20 99.28 -136.48 -68.86 -5.38 85.62 3.09 11.29 48.60 11.43 24.56 1.67 10.77 0.00 1.85 1.13 50 Y C C 122.03 8.58 11.36 20.85 114.21 81.03 -96.52 125.73 80.67 7.77 11.55 32.25 19.03 30.07 1.51 10.08 0.01 4.03 3.01 51 N C C 105.87 4.17 14.88 20.46 110.22 -149.65 -98.46 104.89 81.93 7.97 10.11 44.99 21.17 15.19 1.52 9.50 0.01 4.41 3.21 52 Y C C 95.45 10.82 9.99 21.64 117.14 -158.12 -103.24 129.72 91.45 7.45 1.09 58.90 29.05 3.53 0.34 0.84 0.00 3.73 3.61 53 P C S 92.38 4.23 14.40 19.74 98.33 -135.85 -71.83 -8.41 96.29 2.82 0.88 39.94 49.48 7.16 0.24 0.62 0.00 1.51 1.05 54 V C S 74.61 7.36 10.12 19.06 119.73 83.75 -106.33 135.72 91.21 6.74 2.06 32.61 53.55 5.44 0.79 1.06 0.00 3.15 3.40 55 P C C 84.46 4.77 12.12 18.50 110.95 -109.12 -68.07 146.25 89.25 5.75 5.00 66.75 14.63 7.69 1.60 3.42 0.00 3.45 2.46 56 V C C 100.90 4.42 10.52 16.74 114.78 -127.01 -95.29 133.09 77.64 12.99 9.37 51.19 16.27 9.62 3.52 5.83 0.04 6.43 7.10 57 R C C 147.67 4.41 10.38 16.63 112.88 -144.03 -91.20 134.62 78.03 12.22 9.76 47.98 16.86 13.06 2.96 6.73 0.03 6.43 5.96 58 D C C 90.01 5.20 9.64 16.50 109.53 -146.85 -94.81 104.86 82.36 9.14 8.50 47.57 18.65 15.97 2.03 6.50 0.01 4.45 4.82 59 D C T 105.86 3.22 11.11 15.86 99.30 -162.32 -86.30 8.54 87.90 3.13 8.98 27.08 20.00 40.85 1.48 7.39 0.00 1.52 1.68 60 G C T 49.86 4.35 10.70 16.65 100.09 -108.47 79.05 3.77 91.62 1.45 6.93 17.90 26.41 46.78 0.82 6.59 0.00 0.73 0.79 61 N C C 114.42 2.31 11.44 14.95 102.54 102.73 -91.21 16.03 90.37 4.36 5.27 36.66 33.46 19.90 0.70 4.93 0.00 1.92 2.43 62 M C C 85.86 7.31 8.51 17.35 111.22 63.66 -102.79 104.13 92.43 6.71 0.86 63.67 26.11 2.23 0.23 0.70 0.00 2.63 4.43 63 P C T 94.60 3.59 11.72 16.96 101.50 -154.79 -69.04 -17.28 95.02 2.94 2.05 25.00 14.42 55.56 0.27 1.95 0.00 1.82 0.98 64 D C T 118.01 2.11 13.05 16.05 100.50 34.19 -90.45 14.78 96.02 2.46 1.52 20.08 19.08 56.79 0.16 1.59 0.00 1.62 0.67 65 V C S 67.04 8.80 9.92 20.29 118.74 107.56 -102.20 134.11 92.36 7.10 0.53 44.20 47.20 1.37 0.15 0.35 0.00 2.82 3.90 66 P C C 67.48 6.85 12.83 21.39 114.02 -107.23 -66.79 149.74 93.78 5.40 0.82 84.35 6.33 2.67 0.19 0.70 0.00 2.64 3.11 67 S C C 75.71 5.37 13.13 20.08 103.94 -129.51 -81.34 5.31 95.84 3.21 0.95 48.24 43.27 4.29 0.20 0.77 0.00 1.26 1.96 68 H C C 94.80 6.57 12.38 20.50 115.03 18.68 -110.26 113.06 95.26 3.77 0.97 59.20 32.22 3.35 0.21 0.80 0.00 1.17 3.06 69 P C T 75.96 8.01 10.86 20.20 98.48 -144.73 -66.81 -15.12 96.71 0.72 2.57 21.63 13.08 61.48 0.26 2.80 0.00 0.39 0.36 70 Q C T 140.29 1.86 12.95 15.54 98.80 48.25 -87.75 -4.49 96.12 1.17 2.70 14.99 18.35 62.31 0.32 2.83 0.00 0.67 0.54 71 D C C 75.50 5.42 10.79 18.10 113.09 91.11 -97.08 117.50 96.24 2.94 0.82 51.73 42.38 1.92 0.23 0.54 0.00 0.93 2.27 72 P C T 97.94 4.69 11.25 17.81 98.58 -147.41 -68.43 -10.19 97.02 1.06 1.92 35.05 25.83 36.10 0.30 1.71 0.00 0.53 0.49 73 L C C 111.44 4.17 12.51 17.92 102.44 78.65 -91.99 0.37 89.39 7.16 3.45 33.95 25.86 30.11 0.81 2.50 0.01 3.02 3.74 74 G C S 27.97 7.51 13.37 22.27 128.10 -124.73 104.39 -173.71 90.13 6.13 3.74 37.19 46.54 6.63 1.46 1.99 0.01 2.59 3.59 75 P C C 79.93 5.89 15.54 22.41 110.45 -31.98 -70.79 141.02 87.66 3.13 9.21 51.35 23.75 13.01 4.82 3.91 0.00 1.39 1.76 76 S C C 46.39 8.40 14.64 24.24 115.42 -128.51 -88.91 145.74 78.85 3.10 18.05 62.87 8.25 6.93 14.95 3.50 0.00 1.12 2.37 77 L H H 66.48 11.20 11.85 23.81 95.30 -128.27 -69.49 -23.22 20.88 0.45 78.67 11.81 4.23 6.66 68.26 8.59 0.02 0.23 0.21 78 D H H 89.81 2.35 15.79 18.46 92.59 74.41 -63.83 -37.45 8.67 0.15 91.18 2.50 1.22 4.72 76.66 14.72 0.02 0.10 0.05 79 W H H 101.41 6.10 12.79 20.76 92.56 54.35 -65.13 -38.62 5.59 0.10 94.31 1.34 0.69 3.19 77.82 16.86 0.01 0.06 0.02 80 L H H 58.24 11.27 10.14 22.16 93.16 52.71 -68.38 -33.72 7.24 0.13 92.63 2.01 1.02 3.93 77.15 15.75 0.01 0.08 0.04 81 K H H 133.99 3.32 11.93 16.78 92.91 58.17 -67.73 -29.00 28.96 0.38 70.66 4.29 3.18 21.17 60.89 9.96 0.10 0.18 0.23 82 N C T 124.78 1.24 12.52 13.76 96.83 51.72 -84.36 -1.71 58.28 0.24 41.48 15.31 1.50 41.20 37.05 4.65 0.00 0.09 0.19 83 L C C 82.04 10.04 9.66 20.20 102.11 105.84 -76.24 18.39 99.78 0.03 0.19 99.28 0.21 0.30 0.17 0.01 0.00 0.01 0.01