# 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 61.01 13.19 17.71 31.11 118.73 -160.31 -104.36 136.71 99.62 0.37 0.01 99.56 0.14 0.04 0.00 0.00 0.00 0.24 0.02 1 Y E E 69.64 12.82 15.90 29.40 127.84 -172.60 -122.12 147.89 28.18 71.69 0.13 25.44 2.00 0.37 0.05 0.09 0.00 69.88 2.17 2 Y E E 69.86 11.89 15.58 28.65 129.21 -165.07 -127.53 147.13 7.03 92.93 0.04 6.02 0.97 0.10 0.01 0.03 0.00 92.33 0.53 3 K E E 96.12 8.23 16.76 26.16 122.85 -149.33 -115.00 138.86 3.36 96.61 0.02 3.00 0.29 0.04 0.00 0.01 0.00 96.38 0.28 4 F E E 79.28 10.39 11.95 23.68 121.56 -150.27 -110.62 140.12 5.78 94.18 0.04 5.30 0.46 0.06 0.02 0.02 0.00 92.38 1.76 5 S C C 40.74 6.86 11.40 20.55 111.37 -118.04 -80.22 127.03 55.78 44.10 0.12 52.86 1.57 0.30 0.03 0.08 0.00 44.11 1.05 6 S C T 82.19 3.72 11.21 16.61 94.07 -142.11 -68.96 -23.48 98.51 0.31 1.17 1.19 8.53 88.79 0.06 1.13 0.00 0.22 0.08 7 F C T 165.54 1.00 12.39 13.03 98.11 45.28 -78.90 -40.17 98.77 0.18 1.05 0.66 7.66 90.50 0.04 0.98 0.00 0.11 0.05 8 T C T 78.94 2.85 11.95 15.78 100.23 23.51 -102.52 -12.83 98.72 0.27 1.01 2.01 9.08 87.57 0.06 1.04 0.00 0.18 0.07 9 Q C T 112.74 6.34 11.71 19.86 94.39 -127.49 63.49 29.52 97.58 1.85 0.57 40.55 13.08 44.02 0.12 0.42 0.00 1.53 0.29 10 K E E 106.33 4.12 16.56 22.06 127.15 126.46 -112.07 151.77 46.44 53.35 0.20 38.02 7.43 0.77 0.07 0.17 0.00 49.67 3.88 11 L E E 62.70 14.64 11.73 26.49 112.63 -108.31 -76.63 132.79 3.55 96.42 0.03 3.16 0.23 0.03 0.02 0.01 0.00 89.56 6.99 12 A E E 51.01 7.33 16.89 25.30 127.05 -174.74 -121.01 156.63 12.10 87.82 0.08 8.48 3.19 0.63 0.02 0.06 0.00 87.10 0.52 13 G E E 46.62 5.71 17.04 23.37 112.47 -11.02 84.89 151.56 37.69 62.14 0.17 17.10 19.80 2.12 0.03 0.15 0.00 60.16 0.63 14 A C C 36.96 13.24 11.33 24.91 124.13 -150.56 -109.14 149.34 66.88 32.73 0.39 55.10 10.27 0.87 0.13 0.32 0.00 30.86 2.45 15 W C C 137.95 3.54 18.28 21.83 121.27 -129.11 -92.63 155.40 88.40 10.95 0.65 77.73 9.96 0.78 0.34 0.32 0.00 6.75 4.12 16 A H G 57.81 11.00 11.99 23.41 93.12 -106.88 -58.23 -39.20 25.75 0.45 73.80 2.84 3.59 18.58 22.04 52.46 0.02 0.29 0.17 17 S H G 83.30 2.48 15.96 19.15 91.74 55.89 -68.58 -23.84 22.84 0.28 76.88 1.96 2.35 17.34 24.28 53.77 0.02 0.18 0.10 18 E H G 108.14 5.34 16.10 22.36 94.72 52.26 -87.17 -12.60 21.05 0.69 78.26 4.04 3.24 13.38 26.42 52.23 0.02 0.45 0.23 19 A C C 26.44 16.85 10.80 27.10 99.36 73.92 -78.22 -11.64 51.12 5.09 43.79 25.47 12.98 13.66 23.72 19.10 0.19 2.41 2.47 20 Y C C 111.76 9.95 15.66 26.03 110.04 55.72 -99.45 90.73 69.45 14.83 15.72 37.43 18.76 14.27 7.54 7.09 0.29 5.83 8.79 21 T C C 74.27 6.24 15.82 23.32 117.70 149.24 -112.87 128.53 90.99 8.29 0.73 56.01 34.25 1.49 0.32 0.40 0.00 4.15 3.38 22 P C C 80.34 8.33 12.58 22.10 111.43 -112.75 -69.06 139.08 92.11 5.51 2.38 58.31 22.01 11.91 0.51 2.06 0.00 3.36 1.84 23 Q C C 112.87 5.91 12.34 19.66 110.50 -163.32 -97.64 103.24 84.34 11.88 3.78 46.18 22.12 16.54 0.83 3.15 0.01 5.96 5.23 24 G C C 45.92 5.06 13.03 19.12 119.16 -105.18 83.64 165.38 88.53 9.29 2.18 51.54 24.29 12.84 0.37 2.17 0.00 6.09 2.69 25 L C C 109.87 6.76 10.13 17.91 109.80 -68.00 -86.25 118.27 84.15 14.46 1.39 58.35 21.04 4.61 0.34 1.29 0.00 9.85 4.52 26 K C C 139.79 2.60 12.39 16.51 119.58 -152.47 -104.62 136.80 75.99 23.73 0.28 57.01 18.27 0.77 0.09 0.24 0.00 19.35 4.26 27 P C C 97.90 4.35 10.91 17.14 113.85 -106.46 -66.05 144.81 67.72 31.75 0.53 61.76 4.05 0.78 0.23 0.34 0.00 22.07 10.76 28 V C C 96.27 6.25 8.48 16.31 112.65 -128.56 -86.16 136.52 90.95 8.59 0.46 81.26 8.65 0.96 0.15 0.32 0.00 5.68 2.98 29 S C C 79.20 2.78 10.90 15.10 114.17 -107.15 -83.07 140.70 95.58 3.56 0.85 86.95 7.31 1.51 0.23 0.57 0.00 2.24 1.18 30 T C C 110.52 2.64 9.58 13.81 102.17 -148.84 -86.52 -0.26 95.14 3.18 1.69 64.73 26.01 4.45 0.37 1.36 0.00 1.61 1.47 31 E C C 144.35 1.46 11.49 13.74 116.12 97.72 -92.25 135.72 94.41 4.35 1.24 64.30 27.30 2.63 0.32 0.92 0.00 1.65 2.88 32 A C C 73.15 5.55 9.25 16.75 116.18 -111.71 -75.38 142.53 98.99 0.91 0.10 92.23 6.68 0.19 0.04 0.05 0.00 0.40 0.42 33 P C C 68.62 7.77 8.96 18.33 115.64 -106.65 -66.56 151.18 99.34 0.41 0.26 97.15 2.06 0.29 0.08 0.08 0.00 0.18 0.17 34 P C C 109.54 1.61 13.37 15.32 112.78 -102.50 -68.52 145.79 96.14 1.93 1.93 88.28 6.60 1.53 0.67 1.02 0.00 1.05 0.85 35 I C C 115.97 5.99 8.60 16.21 111.35 -108.82 -77.53 130.68 77.92 17.50 4.58 70.21 5.08 2.04 1.98 2.55 0.00 12.04 6.10 36 I C C 121.50 3.47 10.55 15.28 103.95 -166.40 -93.66 -20.31 66.24 27.45 6.32 44.69 16.53 4.87 2.84 3.94 0.04 19.93 7.15 37 F C C 138.51 3.99 9.52 14.99 119.35 18.43 -125.52 133.45 62.87 30.94 6.19 42.98 13.29 6.47 2.47 4.14 0.05 22.86 7.74 38 A C C 81.32 3.67 9.48 15.04 114.85 -163.85 -104.17 134.32 83.74 13.46 2.80 57.97 21.07 4.67 1.00 1.94 0.00 10.70 2.64 39 T C C 90.36 4.28 9.46 15.49 119.03 -146.38 -105.23 137.07 93.69 5.86 0.45 61.09 32.06 1.18 0.16 0.28 0.00 3.92 1.31 40 P C C 96.18 4.13 10.12 15.99 111.28 -107.62 -68.37 145.91 94.96 3.67 1.37 75.27 15.39 4.31 0.34 1.07 0.00 2.76 0.86 41 T C C 97.59 4.26 9.68 15.68 112.90 -135.65 -91.78 134.51 86.65 11.13 2.23 70.33 11.90 3.92 0.72 1.65 0.00 7.82 3.67 42 K C C 149.83 2.63 11.44 15.55 116.44 -135.07 -95.32 131.49 79.95 17.91 2.14 67.71 8.77 2.34 0.91 1.36 0.00 12.59 6.32 43 L C C 106.23 6.48 8.85 16.89 113.90 -123.32 -79.82 136.28 82.95 14.37 2.69 72.64 6.97 2.57 1.16 1.57 0.00 10.80 4.30 44 T C C 94.55 3.90 10.19 15.76 115.30 -143.73 -95.10 139.54 88.28 7.88 3.85 73.15 9.60 5.22 1.50 2.37 0.00 5.50 2.67 45 S C C 80.50 3.84 9.89 15.40 113.99 -150.35 -96.89 139.00 88.45 4.63 6.92 44.92 31.46 12.77 2.78 3.85 0.00 2.60 1.62 46 S C C 87.24 2.66 11.47 15.30 106.21 -132.69 -91.18 50.09 85.82 3.79 10.38 43.32 31.00 12.07 5.30 4.77 0.01 1.96 1.59 47 V C C 87.72 6.30 9.94 17.72 111.51 108.45 -93.08 127.07 76.43 4.48 19.10 52.86 14.95 8.45 11.74 7.58 0.01 2.58 1.84 48 T C C 80.71 5.34 12.57 19.24 113.57 -145.00 -90.88 135.21 71.62 6.06 22.31 55.01 8.48 7.75 13.53 9.17 0.01 3.91 2.14 49 A C C 61.81 8.13 11.76 20.82 100.84 -136.08 -76.25 -13.94 54.64 8.06 37.30 34.00 11.29 9.68 21.36 16.02 0.07 5.21 2.36 50 Y C C 122.55 7.84 12.69 21.51 101.34 67.57 -81.45 -13.46 50.36 9.86 39.78 30.61 10.29 9.90 21.89 17.94 0.09 6.79 2.50 51 D C C 88.99 5.68 14.54 21.35 100.70 65.67 -82.65 -0.50 56.83 8.36 34.81 35.22 10.01 11.62 18.66 16.40 0.06 5.65 2.37 52 Y C C 102.48 10.54 11.27 22.36 101.38 69.87 -93.40 7.07 63.90 7.31 28.79 36.30 12.58 15.35 15.94 12.50 0.08 4.13 3.13 53 S C T 66.71 6.73 12.24 20.12 105.47 98.78 -86.56 46.02 76.31 3.73 19.96 25.36 15.95 35.93 10.46 8.55 0.06 1.96 1.73 54 G C T 49.87 4.04 14.02 18.99 108.84 12.85 82.14 -52.58 80.64 2.15 17.21 18.38 24.55 38.74 6.91 9.13 0.03 1.04 1.23 55 K C T 142.41 3.07 14.68 18.76 107.72 23.64 -91.29 59.82 76.41 3.71 19.88 23.33 25.43 29.06 7.69 10.72 0.07 1.76 1.94 56 N C C 69.18 11.06 12.84 24.46 107.87 43.60 -88.96 99.27 79.32 5.11 15.57 39.37 18.18 22.71 6.47 8.30 0.02 2.58 2.36 57 K C C 87.34 9.79 16.96 27.43 99.54 160.92 -89.94 -1.53 71.68 8.03 20.29 53.45 11.72 5.94 16.63 4.16 0.02 2.93 5.14 58 V H H 33.11 16.44 14.44 30.84 93.60 93.52 -62.85 -43.45 12.53 0.22 87.24 8.57 2.52 2.62 82.97 3.13 0.00 0.13 0.06 59 P H H 62.52 5.92 18.43 25.25 92.23 52.08 -63.44 -39.80 4.45 0.11 95.44 1.64 0.58 2.29 88.83 6.55 0.01 0.09 0.02 60 E H H 92.07 4.62 19.35 24.43 92.11 50.68 -65.65 -39.16 2.36 0.06 97.59 0.68 0.29 1.32 90.43 7.21 0.00 0.05 0.01 61 L H H 24.94 16.60 15.64 32.47 92.33 51.39 -65.63 -40.17 2.16 0.04 97.80 0.57 0.26 1.25 91.39 6.48 0.00 0.03 0.01 62 Q H H 55.43 15.08 16.32 31.17 91.60 54.66 -63.20 -37.33 3.89 0.07 96.05 0.81 0.39 2.49 87.18 9.06 0.01 0.05 0.01 63 K H H 129.27 3.15 20.64 24.11 91.80 54.87 -66.17 -33.45 8.56 0.12 91.32 0.98 0.69 6.14 74.49 17.55 0.04 0.09 0.03 64 F H H 85.25 9.07 19.04 28.65 92.92 53.28 -71.05 -29.30 19.27 0.26 80.46 1.57 1.64 14.89 64.62 16.85 0.14 0.16 0.12 65 F H H 31.91 18.40 13.90 32.20 97.88 47.78 -94.84 -2.93 46.78 2.76 50.46 7.96 7.32 30.27 38.56 12.45 0.56 1.63 1.26 66 Q E B 65.35 11.38 12.63 25.09 118.92 98.94 -89.43 139.86 12.96 86.11 0.93 8.23 1.58 0.21 0.76 0.11 0.00 10.14 78.96 67 K C C 80.55 7.13 10.60 19.62 121.83 -131.39 -79.59 168.43 95.59 4.10 0.31 94.98 0.88 0.31 0.15 0.09 0.00 2.28 1.32 68 A C T 105.13 0.47 10.91 10.70 90.41 -94.42 -62.06 -26.10 97.12 1.70 1.19 1.25 4.94 91.37 0.11 0.88 0.00 1.10 0.33 69 D C T 117.26 1.00 11.39 12.25 92.85 54.36 -87.97 1.04 98.72 0.18 1.10 0.49 4.27 94.19 0.06 0.85 0.00 0.09 0.05 70 G C S 43.82 4.92 12.04 18.75 97.13 -103.77 85.51 6.19 98.74 0.59 0.67 8.43 87.51 3.06 0.06 0.45 0.00 0.26 0.23 71 V C C 56.07 7.77 13.34 23.24 115.60 138.24 -88.74 131.71 96.74 3.19 0.07 75.43 21.46 0.29 0.02 0.04 0.00 1.88 0.88 72 P E B 49.56 10.99 15.61 27.78 113.06 -110.00 -66.41 141.31 9.70 90.14 0.17 7.36 0.41 0.03 0.16 0.02 0.00 12.12 79.91 73 I C C 52.46 13.93 16.06 30.27 108.22 -157.64 -99.64 105.12 83.53 11.42 5.05 60.94 17.31 5.21 1.66 3.44 0.00 8.77 2.66 74 H C C 72.16 11.74 17.59 29.58 122.65 40.43 -115.25 139.47 78.80 12.66 8.54 48.05 22.32 8.89 3.14 5.17 0.02 7.25 5.16 75 L C C 64.32 12.42 14.85 27.67 109.90 -132.84 -87.17 118.36 80.17 9.17 10.66 58.87 11.76 9.00 4.13 6.48 0.01 5.62 4.12 76 K C C 111.05 7.96 14.24 23.16 107.54 -156.96 -91.78 101.61 84.90 5.54 9.56 46.97 20.17 18.42 3.99 5.01 0.01 3.00 2.42 77 R C S 148.32 3.92 13.76 19.09 121.01 75.78 -112.73 145.38 87.23 3.69 9.08 31.59 35.91 20.40 4.53 3.87 0.02 1.74 1.94 78 G C S 38.61 3.93 14.97 19.64 123.80 17.21 93.22 -166.79 77.11 1.64 21.26 20.59 48.19 7.35 20.54 1.74 0.03 0.49 1.08 79 L H H 116.04 2.77 14.13 17.53 93.86 -48.64 -64.27 -37.06 11.15 0.16 88.69 2.88 2.90 6.16 85.21 2.64 0.06 0.07 0.09 80 P H H 74.53 3.37 15.48 19.68 91.82 51.73 -65.09 -38.36 8.02 0.18 91.80 2.66 1.18 4.53 88.05 3.36 0.05 0.10 0.07 81 D H H 35.66 11.90 12.89 26.02 92.29 52.17 -64.80 -39.78 3.42 0.06 96.52 1.29 0.49 1.75 93.61 2.79 0.01 0.04 0.02 82 Q H H 84.80 7.28 16.81 25.06 91.91 52.11 -64.16 -40.53 1.80 0.02 98.18 0.48 0.23 1.00 97.21 1.05 0.01 0.01 0.01 83 M H H 102.78 2.43 19.80 21.48 91.94 50.70 -64.99 -41.14 2.11 0.02 97.87 0.32 0.20 1.43 97.16 0.85 0.02 0.01 0.01 84 L H H 65.18 7.99 18.03 26.78 91.86 50.47 -64.94 -41.62 2.31 0.01 97.67 0.29 0.20 1.62 97.33 0.55 0.01 0.01 0.01 85 Y H H 63.66 14.27 16.63 30.96 91.87 50.93 -64.15 -41.57 1.24 0.00 98.75 0.25 0.12 0.70 98.75 0.18 0.00 0.00 0.00 86 R H H 121.77 5.11 20.60 26.01 91.67 50.91 -63.76 -41.21 0.30 0.00 99.70 0.05 0.02 0.16 99.72 0.05 0.00 0.00 0.00 87 T H H 68.58 3.62 21.45 24.68 91.79 49.43 -64.93 -42.03 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 88 T H H 32.76 13.22 18.41 32.06 91.88 49.56 -64.61 -42.15 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 89 M H H 62.94 11.37 19.26 30.91 91.65 50.36 -63.67 -41.50 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 90 A H H 58.75 3.07 21.92 24.35 91.69 50.40 -64.00 -42.07 0.13 0.00 99.87 0.01 0.00 0.10 99.86 0.04 0.00 0.00 0.00 91 L H H 77.89 6.55 20.88 27.44 91.80 49.33 -65.38 -41.06 0.36 0.00 99.64 0.02 0.01 0.31 99.59 0.07 0.00 0.00 0.00 92 T H H 37.74 13.94 18.01 31.98 92.11 49.76 -65.27 -42.20 1.04 0.00 98.96 0.06 0.06 0.87 98.89 0.11 0.00 0.00 0.00 93 L H H 84.44 5.46 21.86 27.38 92.27 48.71 -64.57 -41.95 1.50 0.00 98.50 0.08 0.08 1.26 98.43 0.14 0.00 0.00 0.00 94 G H H 36.43 3.02 21.62 24.14 91.88 49.44 -64.53 -41.96 0.83 0.00 99.17 0.08 0.05 0.58 99.21 0.09 0.00 0.00 0.00 95 G H H 20.64 10.46 17.78 29.03 91.74 51.21 -64.21 -42.03 0.42 0.00 99.58 0.06 0.03 0.25 99.59 0.07 0.00 0.00 0.00 96 T H H 51.34 10.25 18.69 29.21 92.07 50.29 -64.31 -41.91 0.20 0.00 99.80 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 97 I H H 96.35 2.69 21.46 23.43 91.84 49.88 -64.30 -42.05 0.14 0.00 99.86 0.01 0.01 0.10 99.86 0.03 0.00 0.00 0.00 98 Y H H 115.23 4.45 20.36 24.66 91.93 49.47 -65.04 -41.59 0.16 0.00 99.84 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 99 C H H 38.43 11.52 16.61 28.74 91.85 50.55 -64.53 -42.17 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 100 L H H 79.16 6.03 19.13 25.42 91.68 50.03 -64.06 -41.86 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 101 I H H 91.40 2.84 19.93 22.32 91.91 49.42 -64.95 -41.91 0.06 0.00 99.94 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 102 A H H 41.12 7.06 16.93 24.98 91.72 50.23 -64.37 -41.59 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.01 0.00 0.00 0.00 103 L H H 69.64 8.07 16.39 24.82 91.91 49.38 -64.58 -41.78 0.11 0.00 99.89 0.00 0.00 0.08 99.87 0.04 0.00 0.00 0.00 104 Y H H 125.15 3.43 17.24 21.05 91.92 50.14 -64.36 -41.50 0.18 0.00 99.82 0.01 0.00 0.14 99.70 0.14 0.00 0.00 0.00 105 M H H 103.93 3.60 16.56 20.68 92.10 48.79 -65.98 -38.17 0.85 0.00 99.15 0.03 0.03 0.77 98.70 0.47 0.00 0.00 0.00 106 A H H 57.16 7.01 13.69 21.54 91.98 53.62 -69.58 -24.84 9.74 0.01 90.25 0.22 0.31 9.32 89.42 0.71 0.01 0.00 0.00 107 S H H 66.29 5.19 13.52 19.72 95.89 54.82 -89.62 -5.06 45.97 0.15 53.87 2.25 3.44 38.68 53.89 1.53 0.05 0.05 0.12 108 Q C S 93.30 6.05 10.66 18.70 114.80 104.35 -82.78 133.48 98.54 0.91 0.56 24.63 73.01 1.02 0.41 0.12 0.00 0.29 0.51 109 P C C 87.42 4.06 10.46 16.36 113.25 -111.24 -67.34 148.72 94.01 2.61 3.38 83.43 5.19 5.30 1.25 1.94 0.00 1.36 1.53 110 R C C 170.87 2.68 8.77 13.32 108.31 -111.97 -78.35 134.10 91.34 3.18 5.48 51.71 21.69 17.72 1.49 4.07 0.00 1.47 1.83 111 N C C 119.62 2.46 7.98 12.21 110.45 -123.85 -86.12 113.79 95.45 1.39 3.16 76.68 4.99 13.95 0.76 2.19 0.00 0.78 0.65 112 K C C 158.16 2.07 10.73 14.26 105.00 -147.29 -83.35 60.92 99.86 0.08 0.06 99.55 0.21 0.16 0.02 0.01 0.00 0.04 0.01