# 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 122.02 4.55 11.32 17.36 115.67 -161.52 -94.22 134.68 99.78 0.20 0.01 99.69 0.14 0.04 0.01 0.00 0.00 0.09 0.03 1 A C C 79.44 3.57 8.82 14.21 113.45 -156.02 -90.32 138.85 93.42 4.81 1.77 88.99 1.65 3.05 0.76 0.68 0.00 2.65 2.21 2 G C C 50.65 3.07 8.32 13.10 114.92 -117.47 -90.51 161.13 89.78 5.70 4.52 56.74 19.47 13.63 1.25 3.18 0.00 3.06 2.66 3 V C C 128.42 1.24 8.85 10.88 101.02 -84.04 -80.10 -12.02 87.49 5.03 7.48 36.14 29.31 22.80 1.73 5.29 0.01 2.45 2.27 4 T C T 105.10 1.86 8.41 11.48 105.25 56.63 -90.06 23.87 88.23 2.87 8.90 28.37 28.50 32.10 1.92 6.33 0.00 1.36 1.42 5 G C C 51.95 2.78 9.51 13.83 109.13 -113.60 51.00 18.05 89.84 3.22 6.95 35.50 32.13 22.87 1.45 5.03 0.00 1.60 1.42 6 E C C 140.67 2.11 10.00 13.53 110.96 104.76 -89.04 122.11 87.13 7.54 5.33 54.20 25.35 7.82 1.92 3.21 0.01 3.65 3.85 7 R C C 123.16 5.81 8.85 16.48 117.23 -131.95 -94.87 133.70 93.02 5.80 1.18 67.37 25.32 0.82 0.90 0.36 0.00 2.98 2.26 8 P C C 72.39 3.58 11.85 17.05 113.67 -107.45 -66.67 151.30 83.91 12.25 3.84 81.85 1.85 0.62 3.75 0.37 0.00 4.23 7.34 9 F H H 147.42 2.58 11.33 15.40 92.97 -113.38 -59.47 -36.31 8.31 0.07 91.62 1.87 1.18 5.20 87.39 4.28 0.01 0.04 0.03 10 G H H 42.63 2.61 12.89 16.40 92.15 55.13 -64.71 -37.39 3.70 0.04 96.26 0.70 0.40 2.42 91.92 4.52 0.01 0.02 0.01 11 D H H 77.08 3.83 13.25 18.37 92.87 51.93 -66.95 -38.47 1.48 0.03 98.49 0.52 0.18 0.74 94.16 4.37 0.00 0.02 0.00 12 I H H 87.76 3.65 13.67 18.51 92.79 51.41 -65.84 -41.30 1.85 0.07 98.08 0.61 0.25 0.99 96.08 1.99 0.00 0.05 0.01 13 V H H 82.92 2.57 15.18 17.98 92.78 48.77 -66.20 -40.99 4.14 0.32 95.54 1.50 0.64 2.11 94.35 1.11 0.02 0.21 0.06 14 T H H 65.08 3.60 14.60 19.27 92.96 49.29 -66.29 -41.00 10.08 0.40 89.52 3.77 1.59 4.49 89.03 0.79 0.01 0.20 0.11 15 S H H 53.32 3.73 14.44 19.40 92.76 52.08 -65.05 -41.17 12.43 0.39 87.18 5.49 1.76 4.63 87.25 0.58 0.01 0.19 0.11 16 V H H 84.39 2.26 15.63 17.84 92.27 49.58 -65.38 -41.44 4.31 0.15 95.54 2.00 0.62 1.60 95.32 0.34 0.00 0.08 0.03 17 R H H 131.49 2.47 15.40 18.19 92.25 50.37 -65.35 -40.76 1.84 0.08 98.08 0.76 0.21 0.86 97.85 0.26 0.00 0.05 0.01 18 Y H H 116.54 3.74 14.42 19.26 92.17 50.16 -65.10 -41.28 0.69 0.05 99.26 0.26 0.07 0.34 99.14 0.15 0.00 0.04 0.01 19 W H H 140.58 2.59 14.92 18.05 92.17 50.46 -64.65 -41.58 0.30 0.02 99.67 0.09 0.03 0.17 99.60 0.10 0.00 0.02 0.00 20 I H H 94.89 2.17 15.41 17.58 92.15 48.93 -64.75 -42.05 0.31 0.03 99.66 0.06 0.02 0.20 99.59 0.10 0.00 0.02 0.00 21 I H H 87.55 3.14 14.70 18.63 92.50 48.01 -65.60 -41.59 0.62 0.04 99.34 0.10 0.05 0.42 99.18 0.20 0.00 0.03 0.00 22 H H H 103.15 3.95 13.73 18.93 92.89 48.66 -67.09 -38.02 2.00 0.01 97.98 0.18 0.12 1.62 97.57 0.49 0.00 0.01 0.00 23 S H H 67.23 2.59 14.46 17.55 94.66 48.75 -72.35 -36.28 9.90 0.02 90.08 0.38 0.47 9.25 88.62 1.25 0.01 0.01 0.01 24 I H H 105.19 2.22 14.78 17.06 101.08 39.16 -88.97 -36.92 36.46 0.06 63.48 0.76 1.83 33.52 62.10 1.68 0.04 0.01 0.05 25 T H H 67.09 4.46 13.82 19.51 99.40 39.58 -84.41 -30.43 27.93 0.08 71.99 2.03 2.15 23.32 70.53 1.84 0.03 0.02 0.07 26 I H H 82.35 4.61 13.75 19.80 93.08 60.24 -63.76 -43.08 4.12 0.01 95.87 1.39 0.76 1.81 95.46 0.58 0.00 0.00 0.01 27 P H H 74.85 2.71 15.67 18.78 92.28 49.79 -64.43 -40.20 2.20 0.01 97.79 0.73 0.19 1.14 97.21 0.72 0.00 0.00 0.00 28 A H H 57.61 2.85 15.52 18.93 92.41 50.70 -65.28 -39.81 0.47 0.00 99.53 0.09 0.03 0.29 98.81 0.78 0.00 0.00 0.00 29 L H H 83.68 4.52 14.92 20.54 92.39 50.33 -65.50 -40.53 0.49 0.01 99.51 0.06 0.03 0.34 98.92 0.64 0.00 0.00 0.00 30 F H H 111.96 3.94 15.69 20.29 92.48 49.39 -65.65 -41.38 1.32 0.03 98.65 0.13 0.09 1.08 98.17 0.49 0.01 0.02 0.01 31 I H H 96.93 2.13 16.98 18.71 92.12 49.02 -64.84 -41.63 0.94 0.01 99.05 0.12 0.07 0.69 98.89 0.20 0.00 0.01 0.00 32 A H H 54.40 3.01 16.35 19.94 91.70 50.56 -63.80 -41.06 1.12 0.00 98.88 0.12 0.07 0.85 98.60 0.35 0.00 0.00 0.00 33 G H H 26.71 6.24 14.30 22.32 91.86 51.23 -64.27 -40.63 1.67 0.00 98.33 0.13 0.08 1.33 97.93 0.52 0.00 0.00 0.00 34 W H H 133.49 3.68 16.03 20.33 92.01 51.11 -64.54 -41.15 1.06 0.01 98.93 0.10 0.07 0.83 98.22 0.77 0.00 0.00 0.00 35 L H H 94.36 2.10 16.59 18.40 91.94 50.05 -65.23 -41.09 1.73 0.02 98.25 0.16 0.13 1.41 97.46 0.81 0.01 0.01 0.00 36 F H H 98.21 4.01 14.62 19.80 92.79 48.46 -65.97 -40.75 4.79 0.17 95.04 0.72 0.61 3.69 93.57 1.17 0.09 0.09 0.06 37 V H H 69.88 6.25 13.09 20.72 92.99 49.85 -66.18 -39.88 9.27 0.38 90.36 1.45 1.26 7.07 87.65 1.98 0.23 0.21 0.15 38 S H H 76.26 2.52 14.37 17.25 92.84 51.39 -68.72 -31.18 18.57 0.21 81.21 1.65 1.79 15.53 78.91 1.80 0.11 0.10 0.11 39 T C T 83.41 2.52 13.80 16.74 96.89 47.51 -87.73 -10.62 64.06 0.28 35.66 2.08 6.10 54.08 35.26 2.12 0.05 0.10 0.22 40 G C T 43.26 5.04 12.54 19.22 97.16 -115.52 76.27 5.00 80.47 0.48 19.06 8.85 10.97 58.97 18.53 2.18 0.01 0.20 0.29 41 L H H 89.86 3.45 13.93 18.57 95.50 112.13 -71.76 -35.10 31.54 0.51 67.95 17.10 5.32 10.34 59.27 7.45 0.02 0.26 0.24 42 A H H 40.98 6.74 12.49 21.02 94.70 55.24 -67.85 -38.03 19.03 0.69 80.28 7.48 3.33 9.29 68.96 10.15 0.09 0.45 0.24 43 Y H H 110.27 5.32 12.68 19.54 93.77 54.44 -66.67 -38.41 10.52 0.62 88.86 3.69 1.97 5.57 76.03 12.01 0.11 0.46 0.17 44 D H H 99.54 2.30 13.36 16.42 93.87 53.42 -68.64 -34.46 10.90 0.46 88.65 3.27 1.76 6.22 77.17 11.03 0.10 0.32 0.13 45 A H H 75.05 2.88 12.13 15.95 94.68 53.67 -71.83 -29.41 17.89 0.46 81.65 3.00 2.72 12.51 72.17 8.90 0.24 0.26 0.21 46 F H H 138.08 3.12 10.96 15.27 100.24 43.91 -94.43 -2.19 37.67 0.91 61.43 4.93 7.34 26.78 54.83 4.76 0.38 0.38 0.61 47 G C T 53.41 2.46 12.12 15.68 104.15 -105.81 81.14 12.33 96.91 0.78 2.31 36.59 18.58 42.13 1.11 0.86 0.00 0.38 0.34 48 T C C 80.45 4.54 10.04 16.52 119.63 116.48 -96.13 142.58 98.54 1.35 0.10 68.34 29.96 0.45 0.03 0.06 0.00 0.56 0.59 49 P C C 90.04 4.19 11.11 16.93 113.42 -103.72 -68.23 146.84 98.08 1.80 0.13 81.10 16.26 0.59 0.04 0.08 0.00 0.65 1.28 50 R C C 133.24 5.40 9.47 16.75 115.32 -114.27 -85.19 130.44 98.47 1.32 0.21 91.33 6.64 0.40 0.07 0.12 0.00 0.47 0.98 51 P C T 95.80 3.78 10.08 15.64 96.77 -125.26 -65.10 -22.12 73.85 0.99 25.16 26.08 10.16 35.98 1.92 24.94 0.00 0.53 0.39 52 N C T 122.12 2.24 10.46 13.77 101.87 57.16 -90.53 16.55 71.14 1.69 27.17 18.08 12.33 40.34 2.34 25.32 0.00 0.95 0.63 53 E C C 120.00 3.91 10.00 15.76 112.45 107.06 -90.20 128.69 65.45 5.55 29.01 37.21 15.57 12.77 2.99 26.45 0.01 3.25 1.74 54 Y C C 147.65 4.25 9.33 15.44 117.94 -157.74 -104.23 134.09 80.80 12.42 6.78 58.09 15.55 6.04 2.46 4.59 0.01 6.29 6.97 55 Y C C 123.18 5.67 7.61 15.16 118.05 -157.61 -105.65 132.27 90.53 8.57 0.90 75.82 13.31 1.09 0.47 0.46 0.00 5.19 3.64 56 P C C 83.35 2.92 9.93 14.37 112.89 -130.29 -76.82 155.45 93.89 2.28 3.83 75.95 13.55 4.34 1.95 1.87 0.00 1.34 1.01 57 S C T 90.23 1.67 9.09 11.88 99.22 -106.12 -68.16 -29.38 57.77 0.79 41.45 13.49 15.02 29.48 15.55 25.46 0.03 0.35 0.63 58 N C T 128.50 1.05 9.33 10.74 98.19 48.70 -79.85 -8.78 55.67 0.85 43.48 14.37 11.70 29.22 17.36 26.30 0.04 0.38 0.63 59 Q C G 108.69 4.48 7.76 13.83 101.33 69.86 -88.82 9.71 50.47 1.97 47.56 26.03 10.20 14.48 19.17 28.16 0.02 0.95 0.98 60 M C C 123.37 3.59 8.84 14.09 101.71 100.27 -79.46 -9.45 65.63 2.34 32.03 38.15 13.60 13.93 19.05 12.95 0.02 1.15 1.14 61 E C C 145.71 1.65 10.99 13.43 108.09 72.18 -92.83 91.79 72.95 3.83 23.22 42.91 15.23 15.06 12.75 10.34 0.02 2.23 1.46 62 L C C 100.28 4.85 8.48 15.15 116.36 84.50 -91.70 135.56 89.86 3.58 6.56 56.66 31.58 1.90 5.39 1.31 0.00 2.04 1.13 63 P C C 86.17 4.40 10.43 16.54 111.27 -110.40 -69.02 145.13 81.50 9.53 8.97 76.21 3.08 2.14 7.34 1.89 0.00 5.86 3.47 64 I C C 119.79 3.34 9.67 14.77 114.03 -140.16 -92.18 130.69 64.80 18.71 16.49 46.81 12.89 4.84 13.03 4.26 0.09 10.12 7.98 65 V C C 95.03 4.69 8.45 14.86 113.77 -145.02 -94.62 123.39 52.13 18.55 29.32 37.35 8.83 5.94 21.03 8.92 0.13 12.81 4.98 66 D H C 98.08 3.13 10.13 14.83 114.03 -162.85 -94.69 139.14 44.10 6.38 49.51 26.22 8.62 10.01 25.71 23.51 0.07 4.44 1.42 67 D H G 104.66 2.88 10.95 15.04 101.00 -43.56 -80.61 8.58 41.40 2.75 55.86 18.63 8.04 15.15 24.28 31.34 0.06 1.64 0.87 68 R H G 143.90 4.05 10.44 16.09 97.13 106.94 -75.39 -20.12 45.05 1.81 53.14 15.14 8.99 20.45 23.72 29.82 0.09 0.96 0.82 69 Y C C 132.26 4.95 10.24 16.79 105.01 55.22 -97.21 16.49 57.46 3.33 39.21 22.49 15.42 20.86 17.66 19.94 0.15 1.48 2.01 70 N C C 77.22 4.22 11.75 17.68 108.71 120.57 -90.61 113.42 93.22 0.81 5.97 75.38 15.78 1.67 5.66 0.76 0.00 0.29 0.47 71 P H H 75.48 5.18 10.36 17.52 95.13 -144.07 -63.26 -36.66 20.41 0.25 79.34 7.15 3.07 10.24 70.69 8.58 0.03 0.14 0.10 72 D H H 102.47 1.54 12.81 14.48 93.66 54.02 -66.24 -38.01 13.46 0.16 86.39 2.87 1.70 8.39 77.13 9.74 0.03 0.10 0.05 73 R H H 133.34 1.93 12.74 14.98 93.57 52.00 -67.20 -38.58 8.87 0.19 90.94 2.94 1.28 4.60 80.24 10.73 0.02 0.13 0.05 74 T H H 63.37 3.92 10.57 16.28 93.25 52.87 -66.30 -39.13 10.25 0.43 89.33 4.60 1.66 4.46 80.88 7.96 0.03 0.30 0.11 75 L H H 94.24 2.49 10.49 14.25 92.99 52.33 -66.51 -38.10 11.39 0.67 87.93 5.59 1.89 4.54 78.31 9.01 0.02 0.49 0.16 76 K H H 142.99 1.19 10.91 12.20 94.08 53.57 -69.32 -34.59 18.98 0.69 80.33 7.08 2.48 9.34 70.85 9.56 0.04 0.44 0.22 77 Y H H 162.61 1.74 9.38 12.11 95.77 55.00 -74.36 -25.65 34.03 0.77 65.20 9.95 4.03 20.25 56.39 8.55 0.06 0.42 0.35 78 Q C H 131.89 1.84 7.71 10.96 98.74 59.94 -82.21 -6.95 56.30 0.75 42.95 32.54 2.24 21.80 38.79 3.82 0.01 0.32 0.49 79 D C C 110.34 2.07 9.93 13.36 103.80 77.35 -82.03 31.72 99.91 0.03 0.06 99.72 0.09 0.13 0.04 0.00 0.00 0.01 0.00