# 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 95.84 7.39 12.72 21.14 116.78 -158.87 -98.50 141.00 99.08 0.53 0.39 98.78 0.29 0.19 0.29 0.04 0.00 0.27 0.14 1 A C C 67.24 4.72 11.25 17.30 99.69 -128.33 -72.77 -25.51 60.18 2.99 36.83 55.24 1.66 4.23 33.86 2.23 0.00 1.17 1.61 2 V H H 97.06 3.18 10.09 14.69 96.88 65.06 -70.67 -30.13 28.17 1.54 70.29 18.10 5.28 7.20 58.45 9.48 0.04 0.97 0.46 3 S H H 70.30 3.06 10.84 15.26 96.55 59.88 -73.08 -24.34 20.18 1.88 77.94 12.36 3.31 5.82 61.18 15.43 0.04 1.51 0.36 4 L H H 102.40 3.62 10.08 15.26 96.89 60.70 -73.81 -28.71 14.27 1.80 83.93 6.79 2.53 5.60 64.66 18.50 0.05 1.58 0.28 5 L H H 108.16 3.53 10.17 15.15 99.39 58.13 -79.07 -23.91 19.20 2.47 78.33 8.11 3.65 8.61 62.97 14.03 0.14 1.97 0.52 6 L H H 109.69 3.30 10.25 15.03 103.44 66.21 -81.29 14.11 36.30 3.04 60.66 12.18 6.92 18.62 49.89 9.07 0.30 1.93 1.08 7 R C T 157.21 2.98 10.85 15.17 103.79 47.78 -82.14 30.02 59.48 2.79 37.74 15.44 11.93 32.33 31.90 5.48 0.24 1.45 1.22 8 G C T 50.53 3.25 11.65 16.05 103.18 -19.18 40.56 1.29 68.98 3.33 27.69 22.83 16.56 29.97 23.10 4.39 0.15 1.63 1.38 9 G C C 44.40 4.31 11.99 17.51 104.02 47.25 -27.11 -42.94 62.51 4.14 33.34 30.03 16.21 16.96 28.07 4.93 0.14 2.14 1.53 10 R C H 138.78 4.23 12.59 17.85 104.29 44.02 -79.33 18.56 49.98 4.45 45.57 33.14 8.14 9.70 40.61 4.38 0.06 2.71 1.26 11 I H H 92.80 5.38 12.32 18.91 102.40 115.34 -75.00 -28.69 24.94 2.66 72.40 18.35 3.87 4.87 66.47 4.07 0.03 1.80 0.54 12 R H H 141.66 3.38 14.80 18.77 97.92 57.99 -70.26 -35.34 14.28 1.84 83.88 9.85 2.46 3.94 76.94 5.01 0.05 1.44 0.31 13 A H H 57.70 5.14 14.09 20.08 97.57 52.53 -68.37 -38.96 11.41 1.93 86.66 7.93 2.05 3.35 79.46 5.24 0.07 1.58 0.32 14 L H H 87.55 5.66 14.94 21.20 94.95 51.55 -67.61 -38.95 9.00 1.95 89.05 6.19 1.80 2.65 83.21 4.20 0.07 1.53 0.33 15 K H H 114.07 4.07 16.20 20.75 94.33 52.93 -66.85 -39.41 8.85 2.40 88.74 5.87 1.67 2.70 84.34 2.99 0.09 1.94 0.40 16 A H H 53.67 4.27 14.96 20.26 93.53 51.62 -66.41 -40.78 6.72 1.98 91.31 4.12 1.18 2.46 87.62 2.55 0.09 1.70 0.29 17 V H H 75.62 4.90 14.98 20.66 93.12 51.19 -66.68 -40.58 4.70 1.51 93.79 2.74 0.77 1.93 90.50 2.36 0.07 1.42 0.19 18 L H H 85.74 4.81 14.69 20.41 93.16 51.29 -66.15 -40.01 5.29 1.38 93.33 2.60 0.76 2.59 89.74 2.69 0.10 1.33 0.20 19 L H H 92.91 3.49 14.94 19.15 93.65 50.79 -67.32 -38.37 8.31 0.86 90.83 3.06 1.14 4.85 87.06 2.81 0.14 0.69 0.23 20 E H H 109.95 3.83 14.09 18.83 94.80 51.40 -72.31 -29.79 14.89 0.75 84.36 4.24 2.00 9.28 80.92 2.56 0.19 0.44 0.35 21 A H H 54.67 6.73 11.55 19.63 97.30 63.01 -77.43 -16.33 34.08 1.32 64.60 10.93 4.51 19.26 60.56 3.35 0.11 0.64 0.65 22 R C H 153.22 3.51 13.10 17.74 100.92 74.82 -79.34 -3.60 51.90 1.73 46.37 12.25 6.73 32.75 42.28 4.24 0.09 0.93 0.73 23 V C T 100.71 3.33 11.43 16.00 105.27 69.53 -89.97 13.79 60.94 3.00 36.06 16.12 11.30 33.59 31.97 4.10 0.14 1.59 1.18 24 F C C 120.41 5.17 9.09 15.92 115.05 105.26 -96.15 128.41 86.94 3.63 9.44 41.22 37.74 7.74 7.84 2.02 0.01 1.58 1.83 25 P C C 102.45 2.88 10.86 14.98 109.48 -124.69 -75.13 128.49 83.00 1.54 15.47 49.25 11.30 22.08 10.77 5.02 0.00 0.87 0.69 26 G C C 51.99 2.96 11.57 15.46 109.30 18.21 84.34 -87.27 64.26 1.71 34.03 24.63 16.20 24.34 21.98 11.11 0.07 0.82 0.86 27 E C H 135.97 2.75 11.58 15.41 104.50 7.55 -84.18 7.88 48.68 2.93 48.39 23.50 11.58 14.70 33.95 13.43 0.13 1.76 0.94 28 L H H 104.06 4.83 11.04 17.21 106.39 63.89 -87.36 38.31 37.05 6.05 56.90 22.73 7.44 8.62 42.58 12.80 0.11 4.50 1.20 29 V H H 78.31 7.45 10.26 18.97 107.85 72.37 -93.99 83.65 31.36 7.76 60.88 21.79 5.30 6.09 48.11 11.03 0.06 6.49 1.12 30 S H H 70.90 4.56 12.80 18.65 111.49 58.28 -87.83 126.67 32.36 10.06 57.58 21.73 5.13 6.84 46.15 9.90 0.07 8.90 1.28 31 V H H 96.28 4.63 12.69 18.62 108.99 -141.59 -94.81 81.44 30.38 14.78 54.84 18.52 5.86 7.57 44.02 8.97 0.19 13.09 1.80 32 V H H 82.27 7.39 11.38 20.00 115.22 65.00 -99.09 131.03 34.46 16.77 48.78 22.25 6.48 6.93 40.60 6.88 0.16 14.65 2.05 33 R C H 141.27 5.06 13.44 19.87 114.57 -147.74 -95.12 131.59 43.21 15.91 40.88 28.25 6.64 8.29 35.21 5.55 0.15 13.73 2.17 34 L C H 98.45 6.50 12.31 20.08 111.37 -136.23 -91.88 118.20 49.41 13.81 36.78 29.34 9.33 11.26 30.61 5.93 0.25 10.71 2.57 35 S C C 57.11 6.94 12.19 20.46 116.66 61.70 -99.24 135.71 56.82 11.26 31.92 37.83 9.37 9.36 27.63 4.87 0.08 8.22 2.65 36 T C C 77.08 5.96 12.30 19.53 103.06 -139.27 -82.62 -4.93 53.98 9.36 36.66 33.56 12.66 8.90 31.41 4.76 0.12 5.89 2.70 37 E C C 118.05 3.63 13.32 17.85 97.85 59.74 -73.96 -23.53 57.33 5.39 37.28 38.80 10.29 8.37 33.01 4.46 0.04 3.45 1.58 38 S C C 58.82 5.29 11.14 17.93 98.64 58.72 -73.88 -33.91 55.80 3.09 41.10 38.05 8.36 9.73 35.55 5.39 0.02 1.87 1.04 39 E C H 116.54 3.59 11.99 16.79 97.81 56.76 -73.22 -32.61 52.46 2.46 45.08 30.86 10.68 12.34 37.70 6.07 0.04 1.40 0.91 40 K C H 132.18 2.59 12.15 15.66 99.36 57.31 -75.98 -27.03 55.42 2.48 42.09 35.28 10.20 11.02 35.41 5.73 0.03 1.42 0.92 41 S C C 64.27 4.16 10.59 16.32 101.95 62.66 -80.54 -14.29 61.57 2.33 36.10 46.29 7.65 8.05 31.03 4.77 0.01 1.25 0.94 42 A C C 69.86 3.80 10.03 15.38 102.07 66.43 -80.93 -7.14 64.30 2.79 32.91 48.44 8.51 7.59 28.36 4.41 0.01 1.50 1.18 43 K C C 139.81 2.43 10.90 14.48 103.50 67.75 -84.42 8.46 68.66 3.03 28.31 52.44 9.36 6.81 24.05 4.40 0.01 1.72 1.20 44 E C C 125.77 3.23 9.39 14.23 106.66 63.26 -82.77 92.01 75.36 3.10 21.54 63.04 6.21 5.77 18.10 3.74 0.00 1.81 1.30 45 K C C 139.50 3.11 9.30 14.00 106.50 59.88 -85.42 94.21 82.35 2.84 14.81 68.20 7.49 5.98 12.36 3.04 0.00 1.56 1.37 46 E C C 142.03 2.06 9.81 13.19 109.22 65.85 -86.79 118.28 88.71 2.35 8.93 73.80 8.71 5.56 7.01 2.39 0.00 1.23 1.30 47 L C C 110.89 4.22 8.22 14.19 111.68 -134.75 -88.50 128.26 92.66 2.37 4.97 78.45 10.79 2.97 3.79 1.38 0.00 1.06 1.57 48 H C C 135.42 2.79 9.38 13.92 114.30 -147.20 -96.18 124.08 97.57 0.89 1.54 89.00 7.55 1.03 1.17 0.38 0.00 0.42 0.45 49 P C C 95.64 3.59 8.57 14.06 110.61 -121.06 -71.16 142.72 91.19 1.60 7.21 83.21 4.24 3.91 4.35 2.53 0.00 0.81 0.94 50 K C C 150.89 2.37 9.03 12.88 109.33 -134.95 -86.23 112.53 89.07 1.68 9.26 73.61 10.00 5.21 5.71 3.62 0.00 0.78 1.07 51 T C C 102.66 2.30 8.59 12.45 109.21 -152.15 -89.57 106.74 86.70 2.70 10.61 73.79 8.52 4.14 6.60 4.08 0.00 1.35 1.53 52 Q C C 128.12 2.97 8.43 13.15 109.51 -125.24 -88.49 114.10 86.52 2.21 11.27 74.12 8.09 4.20 7.33 3.98 0.00 1.13 1.15 53 S C C 80.64 2.82 8.80 13.30 109.27 -116.06 -84.55 110.95 88.23 2.08 9.69 76.85 7.56 3.84 5.90 3.73 0.00 1.21 0.91 54 V C C 111.69 2.49 9.22 13.27 110.54 135.94 -89.42 115.44 89.22 2.88 7.90 79.84 6.38 3.07 4.72 3.02 0.00 1.71 1.25 55 L C C 106.29 5.06 7.40 14.18 113.47 -120.41 -86.42 133.57 92.53 3.14 4.34 85.45 4.94 2.17 2.59 1.56 0.00 1.69 1.60 56 K C C 152.74 1.80 10.13 13.23 115.67 -134.98 -88.89 138.59 95.06 2.88 2.06 86.01 7.41 1.37 1.33 0.70 0.00 1.22 1.97 57 E C C 147.53 1.88 9.82 13.39 114.33 -103.48 -78.15 139.64 99.11 0.67 0.22 93.79 5.13 0.30 0.12 0.07 0.00 0.34 0.25 58 P C C 86.54 6.10 7.45 15.33 114.38 -107.06 -65.75 147.34 98.18 1.26 0.56 95.18 2.51 0.61 0.25 0.22 0.00 0.61 0.62 59 E C C 143.29 1.83 10.50 13.69 116.27 -114.62 -84.62 142.48 98.14 1.40 0.45 92.43 5.29 0.49 0.24 0.18 0.00 0.66 0.71 60 P C C 106.56 2.58 9.91 14.34 112.85 -103.00 -67.25 145.29 96.25 1.63 2.12 89.09 4.54 2.63 1.03 1.03 0.00 0.84 0.83 61 T C C 83.43 6.45 7.50 15.38 113.28 -120.73 -86.63 134.95 93.47 3.13 3.40 80.82 7.87 4.17 1.65 1.75 0.00 1.33 2.40 62 D C C 107.24 2.44 10.65 14.31 109.73 -146.60 -96.49 108.13 92.94 3.36 3.69 76.23 11.37 4.74 1.84 1.89 0.00 1.45 2.47 63 T C C 83.11 5.89 7.68 15.10 102.36 -178.06 -94.80 10.47 83.74 2.48 13.78 55.10 13.25 15.11 5.35 8.45 0.00 1.22 1.52 64 T C T 111.45 1.55 10.29 12.48 97.36 99.23 -79.31 -11.09 79.40 1.60 19.00 25.36 18.58 36.32 7.05 10.98 0.01 0.82 0.87 65 T C T 103.76 1.86 10.82 13.34 101.45 55.46 -95.46 -3.46 76.14 3.37 20.49 23.60 20.43 33.35 8.25 10.96 0.04 1.77 1.60 66 Y C C 113.72 7.56 7.36 16.19 116.72 86.10 -97.12 133.74 75.95 6.60 17.45 50.15 17.35 7.98 10.28 7.21 0.02 3.26 3.76 67 K C C 138.61 2.81 12.38 16.59 116.27 -152.19 -96.97 140.45 71.42 9.62 18.97 52.28 11.08 7.12 11.84 7.25 0.02 5.14 5.27 68 N C C 85.47 6.69 10.97 19.08 111.66 -108.95 -77.64 126.48 67.30 10.20 22.49 48.49 10.10 8.15 10.17 12.48 0.03 5.75 4.82 69 L C G 92.70 7.26 10.99 19.57 96.22 -151.84 -72.70 -15.62 47.60 5.25 47.15 24.58 8.91 15.54 8.36 37.78 0.01 3.72 1.09 70 Q C G 108.02 5.42 11.86 18.68 96.90 77.74 -74.77 -12.03 49.07 5.46 45.47 15.71 10.83 24.82 7.15 36.27 0.03 3.97 1.22 71 H C G 125.62 4.20 12.46 17.88 102.19 53.43 -95.11 26.27 55.37 6.18 38.45 27.49 12.30 17.78 5.56 31.11 0.02 3.80 1.95 72 H C C 82.87 9.42 9.39 19.97 117.41 115.18 -99.45 134.77 85.15 8.24 6.60 61.71 17.00 5.96 2.72 3.83 0.01 4.07 4.70 73 D C C 101.31 3.39 13.46 18.04 109.64 -146.19 -97.29 106.65 82.31 13.59 4.10 65.36 9.45 6.71 1.64 2.43 0.01 5.20 9.20 74 Y C C 114.15 9.03 9.53 19.45 103.38 170.11 -98.45 5.75 84.67 7.71 7.62 50.46 19.24 15.17 2.87 4.35 0.02 3.48 4.42 75 N C S 106.29 3.96 11.69 16.95 100.78 103.64 -83.31 -9.17 89.98 2.64 7.38 23.64 39.39 27.69 2.54 4.16 0.01 1.48 1.09 76 T C S 98.82 2.69 13.73 16.82 99.28 45.01 -92.99 -11.84 85.06 4.80 10.14 19.12 41.05 26.11 4.03 4.97 0.05 2.62 2.03 77 Y C C 90.31 8.70 10.82 20.97 122.22 60.99 -114.24 138.78 80.78 11.36 7.86 43.13 29.93 7.78 4.60 3.20 0.07 5.67 5.63 78 T C C 50.77 6.30 14.55 22.41 123.47 -144.04 -93.80 161.77 80.72 11.82 7.47 73.19 5.39 1.65 6.87 1.12 0.00 5.05 6.72 79 F H H 106.45 8.31 13.10 22.64 92.15 -108.06 -60.01 -35.76 18.45 1.01 80.54 4.84 3.46 11.05 69.49 9.86 0.27 0.66 0.37 80 L H H 93.94 4.08 15.01 19.87 91.94 55.77 -65.41 -38.22 14.90 0.50 84.60 2.36 1.97 10.32 73.02 11.61 0.20 0.34 0.19 81 D H H 66.14 5.79 14.08 21.33 92.60 51.37 -69.18 -34.06 13.06 0.52 86.42 3.28 2.00 7.60 72.14 14.32 0.11 0.37 0.17 82 L H H 65.76 9.11 11.95 22.22 93.27 56.17 -68.26 -33.87 18.36 0.80 80.84 5.43 3.23 10.29 69.16 10.93 0.15 0.50 0.30 83 N H H 94.85 4.49 14.39 19.77 95.93 54.89 -78.71 -16.66 32.78 1.61 65.61 11.71 5.25 17.11 56.53 7.59 0.17 0.96 0.68 84 L H H 87.86 4.72 12.57 18.55 101.68 74.44 -76.68 -18.37 36.20 2.16 61.64 16.06 7.36 14.44 49.79 10.12 0.15 1.27 0.81 85 D H H 83.40 4.08 14.29 19.29 101.28 52.55 -76.76 17.29 39.62 2.72 57.66 20.61 6.19 14.15 44.85 11.46 0.08 1.67 1.00 86 L H H 71.78 10.00 10.27 21.08 94.55 78.45 -71.07 -22.29 31.72 1.70 66.58 15.03 5.72 11.10 41.98 24.47 0.08 1.02 0.61 87 S H G 70.14 4.23 12.49 18.36 92.80 69.70 -67.10 -26.12 29.49 1.25 69.26 9.34 4.56 14.53 33.42 36.84 0.11 0.76 0.43 88 K H G 146.43 1.99 14.79 16.94 94.26 58.82 -76.64 -15.85 41.40 1.17 57.43 6.59 6.38 26.55 23.72 35.34 0.16 0.66 0.61 89 F C G 97.38 8.74 11.68 21.50 103.35 50.71 -102.16 21.89 54.11 3.17 42.72 16.86 10.95 26.87 14.93 27.07 0.12 1.81 1.38 90 R C C 127.70 7.02 13.44 22.02 117.94 115.40 -87.10 138.41 77.30 20.09 2.61 58.91 14.87 2.47 1.53 1.22 0.01 10.08 10.91 91 L C C 81.27 8.96 12.53 22.74 118.16 -138.66 -98.43 134.82 78.78 20.88 0.34 68.21 10.09 0.61 0.14 0.23 0.00 16.97 3.74 92 P C C 75.55 6.26 14.09 21.68 114.17 -107.66 -66.58 148.65 72.30 27.09 0.61 65.43 5.61 0.65 0.31 0.35 0.00 16.90 10.76 93 Q C C 91.18 7.92 11.02 20.46 114.64 -126.83 -93.41 133.32 87.48 11.93 0.60 80.30 6.13 0.57 0.29 0.30 0.00 5.79 6.62 94 P C T 76.13 6.13 10.21 18.03 108.30 -113.57 -66.18 153.54 73.92 3.10 22.99 23.87 12.68 35.72 1.45 23.49 0.00 1.83 0.96 95 S C T 93.39 1.86 10.41 13.17 97.70 -90.09 -74.00 -12.49 73.13 2.79 24.08 12.78 15.05 43.91 1.36 24.26 0.01 1.59 1.04 96 S C T 79.08 2.50 10.34 13.81 99.65 55.31 -87.92 -1.01 73.62 1.99 24.40 12.46 18.27 40.88 1.18 25.29 0.00 1.08 0.83 97 G C C 55.65 2.63 10.12 14.41 99.77 -110.66 80.94 6.74 91.24 3.51 5.24 32.27 31.16 27.66 0.62 5.08 0.00 1.91 1.29 98 R C C 137.95 3.21 10.06 15.19 118.34 132.80 -88.49 143.16 86.37 11.78 1.85 64.75 17.60 3.47 0.56 1.45 0.00 7.04 5.13 99 E C C 137.89 2.70 12.40 16.68 113.27 -108.61 -75.20 141.57 74.95 23.23 1.82 60.60 10.22 2.12 0.80 1.11 0.00 9.98 15.16 100 S C C 49.73 9.72 8.25 18.89 116.80 -116.13 -83.42 142.88 92.89 6.05 1.06 74.05 15.98 2.68 0.25 0.97 0.00 3.96 2.10 101 P C C 91.05 4.74 10.96 17.22 103.76 -113.76 -71.25 79.93 92.62 3.69 3.69 53.75 16.64 22.07 0.57 3.53 0.00 2.38 1.06 102 R C C 158.62 3.66 9.54 14.82 108.37 83.16 -90.56 100.71 93.15 3.55 3.30 73.09 4.38 15.98 0.83 2.04 0.00 2.30 1.39 103 H C C 126.62 5.22 10.58 17.30 111.17 -134.78 -92.53 119.50 98.88 1.00 0.12 98.41 0.44 0.22 0.04 0.04 0.00 0.60 0.25