# 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 59.39 12.96 14.71 28.16 116.63 -140.27 -93.72 134.13 99.94 0.04 0.02 99.82 0.12 0.03 0.01 0.00 0.00 0.02 0.01 1 P C C 56.47 7.52 16.50 25.41 105.97 -112.97 -67.55 138.71 77.68 1.13 21.19 65.79 1.26 10.08 19.38 2.35 0.00 0.48 0.66 2 F H H 76.12 13.83 13.03 26.74 95.00 -126.10 -66.62 -31.10 46.95 1.36 51.69 18.22 8.95 21.88 44.12 5.29 0.13 0.60 0.81 3 L H H 78.09 7.60 14.40 23.23 93.24 58.23 -65.98 -37.82 26.98 0.98 72.04 10.01 6.13 13.10 63.21 6.43 0.14 0.52 0.45 4 D H H 77.65 3.19 16.61 20.24 92.88 52.77 -66.71 -37.37 17.29 0.57 82.15 9.48 3.21 6.41 74.82 5.51 0.04 0.34 0.20 5 I H H 46.96 9.51 13.78 24.93 93.09 51.61 -66.58 -40.97 6.60 0.30 93.10 2.57 1.17 3.47 88.15 4.31 0.05 0.20 0.08 6 Q H H 46.94 11.80 11.89 24.76 92.42 52.49 -64.72 -40.55 3.94 0.25 95.82 1.32 0.60 2.24 91.13 4.43 0.03 0.20 0.05 7 K H H 139.97 1.93 14.92 17.34 92.20 51.82 -64.87 -38.96 4.48 0.17 95.35 1.02 0.53 2.89 89.23 6.14 0.03 0.13 0.04 8 K H H 135.29 2.58 13.79 17.35 92.12 52.58 -66.96 -32.53 11.07 0.16 88.77 1.14 1.02 8.76 82.88 5.98 0.06 0.10 0.06 9 L H H 74.95 8.57 11.39 21.34 95.48 45.17 -91.13 -2.08 43.28 0.25 56.47 1.63 3.08 38.31 51.41 5.18 0.11 0.11 0.18 10 G C T 60.44 1.15 16.43 16.81 95.66 -114.36 74.01 21.28 99.24 0.11 0.66 12.85 4.59 81.98 0.30 0.18 0.00 0.06 0.03 11 I C C 53.36 12.61 9.25 22.59 117.74 137.23 -103.00 130.01 97.55 1.55 0.91 88.84 7.71 1.03 0.57 0.27 0.00 0.69 0.88 12 S C C 65.68 4.02 17.53 22.28 109.87 -142.12 -90.76 112.65 96.32 1.98 1.69 93.25 2.11 1.27 1.08 0.36 0.00 0.85 1.07 13 L C C 57.65 14.45 12.32 26.71 99.08 168.99 -85.89 -15.74 64.55 1.84 33.62 40.69 8.23 15.49 29.13 4.64 0.01 0.83 0.96 14 D H H 76.14 6.48 15.54 23.09 95.06 76.89 -68.08 -29.15 37.66 0.82 61.52 16.09 7.39 15.99 54.90 4.79 0.05 0.38 0.41 15 R H H 129.01 4.29 16.64 21.80 94.05 56.58 -67.72 -37.88 15.12 0.37 84.51 5.94 3.25 7.31 77.46 5.63 0.05 0.21 0.15 16 H H H 73.47 9.98 15.14 25.96 93.59 53.01 -66.56 -39.73 9.68 0.41 89.91 4.34 1.60 4.51 83.68 5.44 0.03 0.28 0.11 17 F H H 81.96 10.01 15.56 26.30 93.17 50.90 -66.46 -39.77 6.15 0.45 93.40 2.72 1.01 3.00 87.96 4.85 0.03 0.34 0.09 18 M H H 87.56 5.86 17.30 24.10 92.89 51.03 -66.46 -40.26 6.07 0.58 93.36 2.61 1.01 3.03 88.55 4.20 0.04 0.45 0.10 19 F H H 93.13 6.68 17.51 25.03 93.31 49.90 -67.43 -39.14 7.63 0.52 91.85 2.73 1.24 4.24 86.72 4.51 0.06 0.40 0.11 20 L H H 55.74 10.87 15.60 27.33 94.09 52.30 -69.23 -34.12 13.64 0.48 85.89 4.02 2.20 8.20 80.05 4.98 0.09 0.30 0.17 21 S H H 47.57 9.58 15.29 25.69 96.71 56.62 -77.53 -19.80 28.58 0.61 70.82 7.80 4.60 17.44 63.71 5.71 0.12 0.29 0.33 22 A C H 57.27 7.30 14.19 22.69 103.46 75.15 -77.55 9.35 52.43 1.02 46.55 14.50 10.40 28.81 38.68 6.48 0.09 0.45 0.61 23 E C T 116.30 5.49 14.46 21.01 106.19 67.95 -87.70 75.76 69.93 1.52 28.55 25.23 16.89 28.95 20.81 6.50 0.04 0.62 0.97 24 Q C C 76.74 8.95 11.14 21.36 118.34 104.56 -99.04 137.14 92.72 1.34 5.93 46.56 40.50 5.78 3.51 2.10 0.00 0.43 1.13 25 P C T 85.22 5.18 13.54 20.06 100.41 -116.12 -66.19 -8.72 76.82 0.75 22.43 21.99 13.49 41.82 7.95 13.85 0.01 0.34 0.54 26 Y C T 126.39 7.39 11.95 20.39 100.95 46.47 -86.76 11.31 69.37 1.40 29.23 18.62 12.18 38.92 11.41 17.16 0.04 0.63 1.04 27 K C T 115.26 7.07 13.12 21.28 101.76 116.45 -71.89 2.55 62.32 1.74 35.94 21.50 15.66 26.16 14.69 19.92 0.05 0.73 1.30 28 N C C 96.82 5.50 14.62 21.15 104.17 68.59 -89.06 29.97 65.72 2.00 32.28 25.72 17.18 24.10 15.16 15.55 0.05 0.82 1.41 29 A C C 44.66 10.91 12.06 23.70 102.22 96.86 -78.92 -4.77 69.31 1.77 28.92 42.07 14.99 12.61 15.86 12.43 0.01 0.68 1.34 30 A C C 60.99 6.13 15.24 22.46 100.62 88.96 -67.23 -32.05 53.36 1.19 45.45 28.26 10.02 15.05 18.12 27.25 0.01 0.54 0.75 31 R C T 134.26 5.67 17.39 23.94 94.42 50.07 -69.22 -28.65 53.46 0.48 46.06 4.09 6.30 41.32 19.76 27.82 0.05 0.24 0.42 32 C C T 22.49 17.91 13.18 30.86 98.28 44.21 -95.84 -1.89 53.88 0.24 45.89 5.13 4.15 42.83 23.45 24.07 0.02 0.12 0.23 33 H H H 76.11 10.75 16.42 28.05 93.02 93.64 -59.91 -42.25 2.45 0.01 97.55 1.07 0.32 0.86 97.10 0.65 0.00 0.00 0.00 34 A H H 59.78 3.36 21.83 24.83 91.65 51.21 -64.43 -40.03 0.52 0.00 99.48 0.09 0.03 0.30 99.30 0.28 0.00 0.00 0.00 35 F H H 45.84 13.80 19.06 33.19 92.20 49.75 -65.57 -41.43 0.20 0.00 99.79 0.04 0.01 0.11 99.64 0.20 0.00 0.00 0.00 36 E H H 32.42 18.06 18.22 35.86 91.77 51.70 -63.27 -41.92 0.08 0.00 99.92 0.01 0.00 0.04 99.90 0.04 0.00 0.00 0.00 37 K H H 98.37 6.51 22.87 29.74 91.70 50.90 -64.10 -41.03 0.08 0.00 99.92 0.01 0.00 0.06 99.91 0.03 0.00 0.00 0.00 38 E H H 81.51 7.75 22.95 30.95 91.86 50.32 -64.72 -41.11 0.12 0.00 99.88 0.00 0.00 0.10 99.86 0.03 0.00 0.00 0.00 39 W H H 29.08 19.54 19.65 38.79 92.08 50.21 -64.69 -42.55 0.18 0.00 99.82 0.01 0.01 0.15 99.76 0.07 0.00 0.00 0.00 40 I H H 41.49 14.39 21.50 35.69 91.77 50.20 -63.66 -41.98 0.40 0.00 99.60 0.02 0.02 0.32 99.47 0.18 0.00 0.00 0.00 41 E H H 98.90 4.11 25.42 29.42 91.66 50.19 -64.59 -40.82 1.63 0.00 98.36 0.10 0.08 1.38 97.62 0.82 0.00 0.00 0.00 42 C H H 20.55 13.36 19.73 34.09 92.38 50.60 -65.13 -40.48 4.44 0.01 95.54 0.35 0.29 3.64 92.88 2.81 0.01 0.01 0.00 43 A H H 16.30 17.24 17.51 34.89 92.19 52.45 -65.98 -36.49 9.12 0.12 90.76 1.45 1.07 6.64 84.32 6.32 0.07 0.06 0.07 44 H H H 103.18 7.35 20.07 27.90 94.19 53.82 -67.91 -31.92 18.09 0.32 81.59 2.18 2.05 13.88 72.98 8.34 0.22 0.16 0.19 45 G H H 40.11 6.34 18.67 25.64 95.76 53.81 -72.60 -28.78 29.99 0.51 69.50 3.43 3.75 22.80 61.82 7.39 0.26 0.24 0.30 46 I C T 66.96 12.60 13.49 26.19 102.26 52.70 -90.75 16.34 61.87 1.56 36.56 5.17 10.24 44.99 30.70 6.65 0.38 0.71 1.16 47 G C T 49.02 4.55 15.99 21.51 104.49 -16.53 84.42 0.86 78.90 0.80 20.30 10.97 13.12 54.16 15.24 5.54 0.02 0.36 0.60 48 G C T 46.17 5.40 15.21 21.49 108.39 -29.90 68.59 -108.33 77.06 1.26 21.68 18.34 27.56 32.20 11.01 9.41 0.03 0.52 0.94 49 T C T 79.29 6.52 14.55 22.06 104.67 25.88 -90.95 5.61 71.72 2.75 25.54 17.30 25.45 30.06 13.94 10.23 0.13 1.23 1.65 50 R C C 124.93 6.84 16.63 24.23 101.44 24.82 -77.48 24.06 70.20 2.88 26.92 36.91 12.09 21.90 16.93 9.24 0.03 1.38 1.52 51 A H H 22.32 14.64 13.99 29.09 98.94 116.00 -67.71 -36.15 35.74 1.45 62.81 21.51 6.88 8.73 47.30 14.18 0.03 0.73 0.64 52 K H H 97.63 10.74 17.07 27.82 94.17 54.87 -64.80 -36.32 20.45 1.02 78.54 5.75 3.79 10.49 56.69 22.13 0.16 0.62 0.38 53 K H H 120.27 3.42 20.20 23.51 93.68 52.63 -68.91 -35.75 18.30 1.44 80.26 5.51 3.31 9.13 57.36 23.13 0.18 0.96 0.43 54 E H H 73.25 9.39 17.97 28.00 94.02 52.60 -71.68 -32.30 23.75 2.21 74.04 8.91 5.30 10.54 55.20 17.67 0.25 1.26 0.86 55 C H H 15.83 18.85 11.98 30.45 97.54 57.20 -78.65 -20.86 47.80 2.40 49.80 24.38 9.87 15.03 38.70 9.54 0.10 1.11 1.27 56 K H H 112.50 6.08 17.55 24.64 93.92 71.57 -65.37 -37.08 44.94 1.41 53.64 16.28 10.37 19.76 42.58 9.50 0.12 0.65 0.75 57 I H H 98.50 4.26 17.58 22.29 94.58 49.12 -70.74 -36.43 41.84 1.06 57.10 7.83 10.01 24.86 44.71 11.09 0.35 0.50 0.64 58 E H H 77.55 10.75 15.85 26.93 98.28 43.06 -85.45 -28.91 40.66 1.10 58.23 8.56 9.32 23.43 44.80 12.33 0.34 0.53 0.68 59 F H H 72.21 14.00 15.08 28.52 100.38 35.57 -78.78 -16.89 43.54 1.38 55.08 13.70 9.31 21.99 41.01 12.34 0.20 0.64 0.81 60 D C H 80.55 6.74 18.67 25.88 97.58 73.74 -71.08 -25.63 50.03 1.31 48.66 17.85 11.21 22.58 37.58 9.33 0.11 0.58 0.75 61 D C H 52.04 10.52 17.79 28.91 102.52 47.01 -92.64 11.28 55.61 1.03 43.37 34.94 7.47 13.37 37.21 5.94 0.01 0.44 0.63 62 F H H 45.47 17.08 15.86 32.66 94.25 76.34 -64.25 -38.53 16.95 0.30 82.75 8.27 4.04 6.30 77.51 3.56 0.05 0.13 0.14 63 E H H 88.98 7.61 20.83 28.84 92.31 53.65 -64.74 -41.09 6.60 0.11 93.28 1.70 1.08 4.04 88.82 4.20 0.05 0.07 0.04 64 E H H 61.15 8.06 19.31 28.60 92.24 50.29 -64.88 -41.05 5.09 0.08 94.84 1.05 0.66 3.30 89.27 5.63 0.02 0.05 0.02 65 C H H 20.45 15.68 16.30 32.49 92.58 50.04 -66.83 -38.63 7.32 0.07 92.61 1.15 0.84 5.10 86.73 6.07 0.03 0.04 0.03 66 L H H 61.50 11.15 18.21 29.80 93.03 49.64 -71.60 -29.02 20.32 0.18 79.49 2.06 2.39 16.06 74.66 4.53 0.11 0.08 0.11 67 L C H 78.30 7.06 18.07 25.96 96.26 53.85 -84.91 -7.29 50.23 0.77 49.00 9.37 10.39 30.99 45.52 2.86 0.10 0.27 0.49 68 R H H 101.13 10.94 15.43 26.58 99.41 113.31 -64.34 10.29 49.01 0.85 50.14 29.50 8.18 10.75 48.87 1.94 0.01 0.29 0.45 69 Y H H 117.71 5.80 17.61 24.25 94.88 118.52 -66.57 -40.27 4.70 0.04 95.26 2.19 0.77 1.69 94.72 0.60 0.00 0.02 0.01 70 K H H 91.62 6.24 17.97 25.03 93.11 51.92 -65.66 -41.06 1.67 0.02 98.32 0.54 0.20 0.85 97.82 0.58 0.00 0.01 0.00 71 T H H 42.00 9.89 16.52 27.58 92.69 51.07 -64.93 -41.15 0.99 0.01 99.00 0.30 0.10 0.51 98.59 0.50 0.00 0.00 0.00 72 M H H 71.24 7.31 17.34 25.82 91.99 50.65 -64.35 -41.35 0.57 0.00 99.42 0.13 0.04 0.31 99.32 0.19 0.00 0.00 0.00 73 R H H 125.74 3.02 19.65 22.55 91.70 50.50 -64.55 -41.65 0.42 0.00 99.57 0.09 0.03 0.23 99.57 0.08 0.00 0.00 0.00 74 R H H 94.64 7.52 18.11 26.49 91.77 50.32 -64.33 -41.61 0.39 0.00 99.61 0.06 0.02 0.24 99.60 0.08 0.00 0.00 0.00 75 M H H 58.33 10.17 16.88 28.09 92.02 50.46 -64.12 -41.53 0.26 0.00 99.74 0.03 0.01 0.16 99.74 0.05 0.00 0.00 0.00 76 H H H 96.98 3.40 19.58 22.97 91.85 50.27 -64.33 -41.55 0.20 0.00 99.80 0.03 0.01 0.12 99.82 0.03 0.00 0.00 0.00 77 D H H 67.24 3.73 19.51 23.42 91.64 49.79 -64.21 -41.65 0.19 0.00 99.81 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 78 I H H 44.22 10.49 16.73 28.51 92.02 49.32 -64.69 -42.30 0.27 0.00 99.73 0.02 0.01 0.18 99.75 0.03 0.00 0.00 0.00 79 K H H 86.97 7.38 17.95 26.16 91.61 50.59 -63.74 -41.13 0.25 0.00 99.75 0.03 0.01 0.16 99.78 0.03 0.00 0.00 0.00 80 K H H 111.94 2.06 20.25 21.12 91.70 50.06 -64.13 -41.98 0.16 0.00 99.84 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 81 Q H H 72.16 5.23 18.50 24.66 91.82 49.84 -64.49 -41.35 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 82 R H H 68.91 11.67 15.63 28.08 92.04 50.34 -64.52 -41.12 0.13 0.00 99.87 0.01 0.01 0.09 99.88 0.02 0.00 0.00 0.00 83 E H H 94.16 3.66 18.35 22.39 91.47 50.76 -63.86 -40.70 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 84 K H H 106.66 1.90 18.43 19.32 91.68 50.27 -64.12 -41.21 0.23 0.00 99.77 0.02 0.01 0.16 99.76 0.04 0.00 0.00 0.00 85 L H H 41.65 7.04 13.55 23.01 91.64 50.38 -64.43 -41.13 0.46 0.00 99.54 0.04 0.02 0.33 99.46 0.14 0.00 0.00 0.00 86 M H H 71.83 7.85 11.83 21.25 92.23 50.63 -64.37 -41.33 0.80 0.00 99.19 0.08 0.04 0.60 98.80 0.47 0.00 0.00 0.00 87 K H H 155.92 1.07 13.58 14.40 90.92 52.18 -65.17 -31.98 4.69 0.01 95.30 0.14 0.16 4.41 94.73 0.54 0.01 0.00 0.00 88 E C T 130.34 1.53 12.04 13.82 91.96 52.51 -84.31 -4.82 75.40 0.02 24.58 0.29 0.98 73.59 24.43 0.69 0.00 0.00 0.02 89 G C T 58.21 1.74 11.33 14.33 95.01 -112.59 79.15 11.49 99.60 0.01 0.39 1.01 2.29 96.46 0.17 0.06 0.00 0.00 0.01 90 K C C 135.63 2.29 13.07 16.31 97.33 121.58 -86.21 -12.57 99.00 0.74 0.26 52.54 44.71 1.80 0.08 0.15 0.00 0.27 0.45 91 Y C C 73.70 12.93 8.55 21.65 126.04 43.78 -122.36 140.14 96.88 2.72 0.40 59.89 35.34 1.63 0.13 0.24 0.00 0.91 1.85 92 T C C 93.70 2.45 17.66 20.73 121.67 -152.66 -110.56 137.33 98.76 1.20 0.05 87.09 11.57 0.19 0.01 0.03 0.00 0.46 0.65 93 P C C 73.45 9.47 12.18 22.78 116.30 -103.29 -64.83 147.68 99.65 0.31 0.04 92.33 7.17 0.17 0.01 0.02 0.00 0.11 0.19 94 P C C 49.86 9.58 10.42 21.66 116.36 -105.35 -65.06 152.37 98.44 0.22 1.34 92.22 4.33 1.86 0.33 1.01 0.00 0.09 0.16 95 P C C 112.31 1.81 13.86 16.05 95.02 -105.88 -64.51 -23.61 86.33 0.83 12.84 46.73 17.71 20.68 2.06 11.91 0.00 0.37 0.54 96 H C C 117.69 5.01 11.14 17.49 101.88 52.95 -94.50 26.17 78.60 3.98 17.43 43.56 15.76 18.87 3.31 14.44 0.01 1.87 2.19 97 H C C 88.09 10.18 8.92 19.68 108.39 107.69 -88.76 105.42 78.07 5.86 16.08 50.32 13.57 13.53 3.92 12.51 0.01 2.91 3.24 98 S C T 80.39 3.02 12.57 16.60 101.64 61.99 -91.48 10.12 87.53 2.53 9.94 33.17 19.36 35.56 2.12 7.27 0.00 1.19 1.32 99 G C T 48.66 4.84 10.14 16.50 103.60 -108.94 77.58 13.31 91.27 1.75 6.98 30.71 26.73 33.82 1.14 5.88 0.00 0.81 0.90 100 R C C 166.28 2.31 10.01 13.88 113.01 123.96 -90.63 130.12 91.76 3.23 5.02 59.17 23.49 8.67 1.23 3.84 0.00 1.34 2.25 101 E C C 135.99 2.60 9.32 13.90 116.68 -123.55 -91.41 140.24 95.13 2.54 2.33 66.87 21.83 6.10 0.59 1.82 0.00 1.12 1.68 102 E C C 134.20 2.77 9.32 14.04 115.18 -109.41 -82.77 137.21 98.69 1.05 0.26 73.38 24.33 1.04 0.08 0.17 0.00 0.45 0.55 103 P C C 99.22 3.66 8.45 14.02 111.36 -105.38 -68.21 145.24 98.98 0.77 0.26 86.54 10.41 1.98 0.07 0.18 0.00 0.34 0.48 104 R C C 170.19 2.20 8.37 12.56 116.93 -128.23 -95.83 134.93 99.41 0.56 0.03 97.21 2.18 0.14 0.01 0.01 0.00 0.20 0.25 105 P C C 101.48 3.05 10.94 15.68 111.34 -92.10 -67.85 146.72 99.92 0.07 0.01 99.59 0.29 0.07 0.00 0.00 0.00 0.03 0.01