# 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 85.78 10.77 16.20 27.38 119.92 -160.46 -104.64 131.51 99.08 0.83 0.09 99.06 0.17 0.08 0.05 0.01 0.00 0.54 0.08 1 V C C 75.29 9.32 14.56 24.82 116.10 -157.09 -100.46 128.74 66.43 24.81 8.75 61.68 1.63 2.51 7.23 1.69 0.00 20.78 4.47 2 L C C 73.01 11.14 12.63 24.56 114.56 -153.62 -94.77 126.63 57.42 29.14 13.44 43.99 6.76 5.57 10.19 3.72 0.04 26.68 3.05 3 R C C 131.94 7.06 15.68 23.69 113.83 -155.73 -95.24 129.25 55.99 24.84 19.16 35.38 10.29 9.83 14.67 4.76 0.09 22.83 2.14 4 G C C 35.29 10.10 15.72 26.03 114.18 -119.49 -90.32 87.24 55.79 20.27 23.94 33.69 11.49 10.37 18.41 5.67 0.10 18.47 1.81 5 V C C 66.35 11.87 14.16 26.38 112.43 -105.10 -92.46 126.62 46.62 23.22 30.16 31.73 7.68 7.05 23.66 6.47 0.09 21.32 2.00 6 R C C 126.13 7.75 16.80 25.31 112.39 -156.98 -93.72 125.48 42.08 26.89 31.02 28.12 6.78 7.03 24.01 6.86 0.11 24.99 2.10 7 L C C 74.83 12.20 14.07 26.42 113.86 -150.61 -96.32 127.19 40.42 26.97 32.61 26.35 6.82 7.32 24.74 7.77 0.12 24.66 2.22 8 R C C 125.34 8.29 15.69 24.70 112.84 -159.04 -91.57 124.64 45.08 25.06 29.86 28.14 7.90 8.99 22.97 6.93 0.13 22.83 2.12 9 S C C 61.78 8.78 15.01 24.47 111.70 -152.30 -94.51 121.58 50.08 23.92 25.99 29.09 10.14 10.93 19.43 6.71 0.18 21.24 2.29 10 V C C 76.29 9.97 14.31 24.89 113.55 -158.11 -97.67 126.74 54.51 23.71 21.78 31.44 12.44 10.78 16.10 6.05 0.19 20.40 2.61 11 A C C 63.71 8.08 15.48 24.35 112.80 -143.48 -91.79 128.88 60.10 21.88 18.03 36.36 12.70 11.11 12.11 6.14 0.11 18.88 2.58 12 V C C 75.62 10.28 14.29 25.19 114.22 -163.10 -99.98 130.48 58.90 21.49 19.62 34.78 14.01 10.94 11.77 7.79 0.17 17.39 3.15 13 S C C 62.08 8.05 15.63 24.49 114.70 -151.17 -95.96 130.71 63.78 18.50 17.72 39.49 12.69 12.46 8.83 8.45 0.08 15.12 2.88 14 C C C 69.68 10.08 13.72 24.36 109.87 -151.47 -92.51 104.17 65.05 16.35 18.60 34.79 14.94 17.00 8.50 9.35 0.13 12.07 3.22 15 Y C C 134.19 7.65 14.68 23.18 108.86 106.02 -93.06 86.13 69.25 14.20 16.55 29.12 18.83 23.39 7.99 7.63 0.20 9.66 3.19 16 G C C 44.48 7.12 15.49 23.40 113.56 114.50 -120.17 102.64 74.97 12.01 13.03 31.90 25.10 19.61 6.03 6.33 0.08 8.53 2.42 17 S C C 62.97 8.54 14.87 24.19 113.99 -112.35 -95.01 131.20 70.20 14.48 15.32 44.50 15.66 10.33 8.52 6.85 0.06 11.44 2.65 18 S C C 61.53 9.24 15.17 25.13 114.02 -145.22 -94.48 129.39 59.78 22.58 17.63 39.10 11.00 9.85 10.49 7.25 0.12 18.83 3.36 19 L C C 79.26 11.35 14.56 26.37 115.80 -155.94 -100.52 127.94 49.71 30.83 19.46 29.35 11.31 9.98 13.00 6.89 0.24 25.57 3.66 20 T C C 71.63 9.46 16.08 26.26 116.12 -161.58 -103.75 128.55 53.26 29.85 16.89 30.55 13.17 10.52 11.50 5.67 0.23 25.17 3.20 21 A C C 55.64 10.57 16.26 27.21 116.12 -163.08 -103.62 131.88 63.31 24.01 12.68 34.60 18.80 10.76 8.09 4.50 0.11 20.87 2.27 22 A C C 46.43 12.11 16.96 29.35 117.43 -159.85 -101.57 139.28 66.67 22.95 10.38 40.20 17.78 9.05 5.85 4.21 0.05 20.98 1.89 23 T C C 63.28 11.80 18.45 30.30 115.45 -158.69 -104.85 129.38 55.76 34.51 9.73 35.87 14.04 6.53 5.14 4.25 0.06 32.05 2.05 24 R E E 75.16 15.41 18.65 33.59 119.61 -168.07 -112.04 131.71 40.94 50.19 8.87 28.62 8.68 5.04 4.77 3.83 0.04 47.10 1.92 25 C E E 45.97 13.78 21.20 34.76 121.66 -161.85 -111.04 134.53 31.49 62.19 6.32 24.60 4.73 2.81 3.67 2.53 0.01 59.83 1.82 26 L E E 23.69 21.12 18.63 39.34 122.58 -165.01 -115.50 132.80 27.19 67.81 5.00 21.54 4.16 2.19 3.18 1.83 0.01 65.42 1.68 27 S E E 39.16 12.73 23.73 36.28 125.17 -163.56 -113.67 141.90 31.25 64.61 4.14 24.05 5.18 2.54 2.33 1.67 0.01 62.74 1.48 28 V E E 26.19 20.29 16.94 36.58 120.59 -158.88 -111.06 133.13 43.48 51.27 5.25 32.37 8.17 3.53 3.04 2.20 0.03 48.56 2.09 29 R C C 108.16 9.82 20.71 30.56 110.56 -153.10 -95.50 113.85 65.73 29.31 4.95 44.02 15.69 5.91 2.41 2.39 0.02 27.50 2.05 30 T C C 44.61 13.99 15.96 29.96 118.04 149.54 -109.38 141.87 72.27 15.21 12.52 47.60 16.44 8.51 7.37 5.28 0.05 11.91 2.85 31 E C T 109.36 8.04 18.23 26.70 100.36 -136.01 -75.50 -15.58 69.67 5.27 25.06 20.25 21.52 28.88 13.73 10.37 0.17 3.44 1.62 32 D C T 72.44 9.46 18.85 28.41 102.13 50.96 -88.17 34.67 70.93 4.58 24.49 26.97 16.75 28.27 12.71 10.95 0.08 2.67 1.58 33 F C C 41.23 18.43 16.23 33.70 100.56 119.34 -82.14 -22.93 63.99 8.61 27.40 26.24 14.58 24.40 15.58 11.07 0.19 5.14 2.80 34 F C C 55.01 16.64 16.96 32.94 104.12 57.72 -96.17 27.59 66.70 9.56 23.75 28.95 16.69 22.48 14.94 8.01 0.24 5.72 2.98 35 S C C 39.05 9.36 17.89 28.14 118.13 116.70 -89.89 151.03 74.72 5.25 20.03 38.66 30.95 5.49 17.44 2.91 0.03 2.36 2.15 36 K H H 128.28 6.24 16.91 24.50 93.76 -103.15 -62.22 -34.58 20.86 1.09 78.05 6.12 5.17 11.54 68.81 7.04 0.23 0.73 0.36 37 E H H 105.02 5.07 20.39 25.81 93.09 52.97 -67.29 -38.24 18.54 2.20 79.26 5.68 3.34 10.54 69.40 8.32 0.28 1.95 0.50 38 A H H 14.30 18.07 16.38 34.40 93.96 50.12 -67.25 -40.30 16.77 5.03 78.21 7.49 3.10 7.42 67.94 8.30 0.17 4.88 0.70 39 I H H 31.32 18.16 17.72 35.14 94.18 51.27 -67.06 -39.52 17.35 10.10 72.55 9.54 3.34 5.96 64.51 5.73 0.16 9.71 1.05 40 S H H 55.77 6.52 22.86 29.42 93.90 55.86 -66.94 -34.20 28.04 10.18 61.78 12.28 4.56 12.00 54.98 5.41 0.19 9.51 1.08 41 H H H 71.06 11.58 21.12 32.62 95.22 52.06 -77.82 -20.07 36.77 11.03 52.20 14.29 6.53 16.50 45.74 5.51 0.23 10.02 1.18 42 A H H 13.71 21.94 16.18 37.27 100.93 76.07 -74.79 -15.82 37.64 15.80 46.57 23.01 6.95 8.46 40.30 5.64 0.11 13.92 1.61 43 R H H 102.04 12.12 22.29 33.64 101.94 65.14 -79.37 -16.60 33.90 25.63 40.47 19.89 6.10 8.14 34.50 6.01 0.18 23.11 2.07 44 R H H 103.07 11.31 21.89 32.58 101.85 57.50 -82.78 -0.13 29.67 33.58 36.75 17.90 5.19 6.76 31.30 6.03 0.19 30.23 2.39 45 V E E 33.70 18.62 18.19 35.76 104.78 69.99 -89.84 4.82 32.55 35.15 32.29 19.72 6.21 7.18 26.79 6.11 0.24 31.15 2.60 46 S C E 40.97 13.96 20.59 33.86 106.75 60.80 -89.59 30.51 44.97 31.07 23.97 25.19 8.70 11.60 18.76 5.85 0.22 27.00 2.69 47 W C C 88.60 15.09 18.69 33.12 107.49 68.60 -97.94 41.26 61.47 24.68 13.84 33.99 17.49 11.00 9.66 4.50 0.17 19.23 3.97 48 A C C 37.40 12.60 18.90 31.93 120.95 118.63 -102.13 139.87 85.08 12.85 2.07 55.43 27.59 2.71 1.16 0.94 0.00 9.98 2.19 49 P C C 58.46 12.83 18.32 31.01 108.91 -104.31 -69.06 138.57 88.05 6.87 5.08 59.48 18.84 9.96 2.08 2.88 0.00 5.33 1.43 50 H C C 72.65 13.86 15.78 29.53 110.52 -143.54 -93.72 115.75 83.95 8.86 7.19 60.66 13.00 9.90 3.68 3.56 0.01 5.14 4.04 51 T C C 66.65 10.63 15.16 26.25 106.16 160.40 -98.91 16.82 87.46 5.44 7.10 54.40 26.41 6.89 4.22 2.86 0.01 2.90 2.30 52 T C C 61.64 5.19 16.03 22.30 122.27 89.76 -97.25 161.79 84.35 5.72 9.94 43.42 38.42 3.07 8.65 1.54 0.02 1.96 2.91 53 E H H 132.58 4.32 14.44 20.45 92.80 -110.69 -60.37 -36.56 14.40 0.57 85.03 5.30 3.62 6.65 78.55 5.30 0.06 0.35 0.18 54 K H H 132.56 3.01 17.70 21.43 92.29 53.44 -65.46 -38.66 12.23 0.59 87.18 4.14 1.97 6.68 80.53 6.02 0.05 0.46 0.15 55 K H H 51.61 15.14 16.16 31.13 93.09 48.16 -67.75 -38.35 9.36 0.86 89.78 4.51 1.57 4.18 82.46 6.34 0.03 0.74 0.17 56 Q H H 52.27 16.02 18.33 33.72 92.13 54.27 -62.87 -41.84 4.04 0.32 95.64 2.22 0.67 1.54 94.14 1.14 0.00 0.23 0.05 57 G H H 27.79 6.47 23.13 30.21 91.91 51.32 -63.85 -42.04 3.20 0.17 96.63 1.35 0.41 1.58 95.92 0.60 0.01 0.11 0.03 58 A H H 24.50 10.11 23.35 34.45 91.70 50.44 -64.36 -42.71 1.59 0.15 98.26 0.75 0.21 0.74 97.75 0.42 0.00 0.11 0.02 59 F H H 14.77 22.14 21.71 43.21 91.87 49.40 -64.34 -43.02 0.91 0.14 98.95 0.42 0.11 0.43 98.61 0.30 0.00 0.12 0.01 60 A H H 19.88 16.07 22.69 38.54 91.55 51.00 -63.32 -42.51 0.75 0.12 99.12 0.32 0.09 0.38 98.84 0.26 0.00 0.11 0.01 61 K H H 105.82 4.65 26.84 31.82 91.63 50.27 -64.48 -41.68 1.06 0.14 98.80 0.34 0.10 0.64 98.44 0.34 0.00 0.12 0.01 62 L H H 27.80 14.76 22.59 37.51 91.75 49.28 -64.81 -42.38 1.86 0.17 97.97 0.49 0.18 1.26 97.38 0.52 0.01 0.14 0.02 63 A H H 8.02 21.30 18.34 39.69 91.97 51.19 -63.93 -42.05 4.29 0.19 95.51 1.07 0.49 2.94 94.37 0.92 0.03 0.14 0.05 64 R H H 103.56 9.91 20.88 30.81 92.39 50.70 -65.80 -38.46 8.07 0.24 91.70 1.68 0.94 5.77 88.51 2.79 0.08 0.15 0.10 65 S H H 62.18 5.29 21.13 26.64 93.48 52.01 -69.68 -32.94 14.82 0.19 84.98 1.66 1.33 11.85 80.90 3.96 0.10 0.11 0.09 66 N H H 53.86 14.07 16.86 30.60 98.30 45.78 -87.14 -20.61 28.14 0.31 71.55 2.73 2.75 22.53 68.21 3.37 0.10 0.15 0.16 67 F C H 63.01 15.42 14.29 29.23 102.04 46.69 -96.32 0.43 54.78 2.01 43.21 13.15 13.41 30.14 37.87 3.21 0.22 0.76 1.23 68 G C C 51.78 3.75 18.18 22.77 102.95 -124.12 70.39 22.75 95.91 1.67 2.43 47.83 15.86 32.65 1.08 1.00 0.00 0.83 0.74 69 D C C 72.24 9.04 14.31 24.39 120.79 83.29 -102.79 138.58 97.81 1.91 0.27 69.86 27.17 0.99 0.09 0.17 0.00 0.98 0.74 70 P C C 78.04 6.86 18.02 25.62 114.10 -102.18 -68.61 148.90 95.27 4.30 0.43 81.15 12.56 1.51 0.15 0.29 0.00 2.40 1.94 71 L C C 56.18 17.05 13.29 29.65 116.38 -113.46 -83.23 138.85 89.92 9.68 0.39 81.36 7.96 0.47 0.23 0.19 0.00 5.54 4.26 72 P C C 37.35 13.03 13.88 28.00 112.27 -105.11 -64.84 147.84 87.27 7.45 5.28 81.79 3.30 2.36 2.21 2.75 0.00 5.04 2.56 73 S C G 86.53 2.46 15.99 19.43 94.57 -121.85 -62.97 -31.72 51.63 2.41 45.96 15.48 10.53 26.46 9.09 36.06 0.03 1.35 0.98 74 S H G 66.92 4.31 16.38 21.47 94.64 58.62 -74.61 -11.71 47.59 1.71 50.71 14.14 8.13 25.74 10.68 39.66 0.02 0.96 0.67 75 F H G 24.36 20.09 9.38 28.53 96.03 73.07 -81.70 -11.84 32.49 1.46 66.05 18.36 5.68 9.08 11.29 54.30 0.00 0.89 0.38 76 A H G 62.34 8.80 14.15 24.06 93.72 78.61 -67.71 -24.18 47.09 1.09 51.82 11.07 7.30 28.35 9.57 42.60 0.01 0.63 0.46 77 Q C G 144.40 1.23 16.84 17.13 96.11 54.92 -90.26 -2.22 53.29 0.81 45.90 9.20 9.59 34.52 6.25 39.55 0.01 0.42 0.45 78 E C C 51.15 13.89 8.99 23.23 116.46 105.05 -82.89 136.45 94.92 0.74 4.34 47.16 45.84 1.78 3.61 0.76 0.00 0.19 0.68 79 P C T 93.58 2.62 17.43 20.23 94.32 -123.93 -61.06 -28.36 60.65 0.29 39.07 7.38 5.33 46.42 36.20 4.33 0.01 0.14 0.17 80 Y C H 76.86 10.90 15.43 27.28 94.90 54.86 -78.07 -14.04 50.38 0.57 49.05 8.27 4.19 37.29 44.73 4.86 0.04 0.32 0.30 81 F H H 22.10 19.70 13.36 32.92 93.32 76.15 -65.25 -40.25 8.58 0.49 90.93 6.07 1.27 2.36 86.89 2.92 0.00 0.39 0.10 82 E H H 97.16 7.29 19.47 27.41 92.13 53.67 -64.22 -40.88 2.18 0.56 97.26 1.31 0.35 0.82 95.58 1.32 0.01 0.58 0.04 83 E H H 102.59 3.09 22.05 24.48 92.24 50.12 -66.01 -40.59 1.21 0.50 98.29 0.70 0.19 0.50 96.99 1.05 0.00 0.54 0.03 84 E H H 42.16 14.37 18.72 33.23 92.58 50.05 -65.67 -41.25 1.02 0.42 98.56 0.55 0.15 0.46 97.57 0.80 0.00 0.45 0.02 85 I H H 18.02 18.96 17.12 36.13 92.20 49.95 -64.36 -42.35 1.23 0.45 98.32 0.58 0.16 0.62 97.41 0.72 0.00 0.48 0.03 86 E H H 90.89 4.81 21.54 26.66 91.88 50.97 -64.00 -40.64 2.27 0.43 97.30 0.71 0.22 1.42 96.27 0.89 0.01 0.45 0.03 87 A H H 39.44 5.88 19.24 26.38 92.25 51.66 -65.01 -39.58 7.30 0.35 92.35 1.24 0.57 5.57 90.88 1.34 0.02 0.31 0.06 88 H H H 38.05 15.74 15.90 31.72 94.00 49.70 -70.83 -32.60 19.55 0.71 79.74 4.38 2.17 13.52 77.17 2.01 0.08 0.42 0.26 89 R H H 88.38 13.45 14.88 28.17 94.49 59.82 -66.78 -32.90 35.09 1.92 63.00 12.20 4.74 19.56 57.80 3.70 0.12 1.08 0.81 90 K C H 141.56 2.58 17.42 20.35 94.85 57.88 -72.26 -24.89 51.44 1.56 47.00 10.19 6.53 34.48 42.67 4.51 0.10 0.89 0.64 91 H C T 112.60 5.53 15.34 21.90 101.91 39.56 -99.28 -4.12 61.53 2.41 36.07 15.50 10.96 35.25 31.64 4.31 0.09 1.29 0.95 92 H C C 76.51 12.82 12.69 25.63 115.96 80.39 -103.43 129.04 82.05 6.68 11.27 47.71 23.67 10.55 9.14 2.52 0.02 3.37 3.01 93 R C C 127.87 7.24 17.41 25.78 115.96 -149.79 -102.05 127.47 93.74 5.16 1.10 72.72 19.34 1.82 0.73 0.43 0.00 3.62 1.34 94 P C C 46.89 15.46 14.78 29.93 111.59 -116.13 -69.60 146.29 88.67 5.29 6.03 68.17 11.82 8.57 3.42 2.61 0.00 4.23 1.17 95 D C C 72.96 10.09 19.76 29.97 106.47 -141.30 -86.82 88.56 69.60 19.30 11.10 43.50 16.97 9.56 6.80 4.30 0.04 16.41 2.42 96 V C E 30.91 17.63 16.30 33.69 115.76 137.43 -103.13 125.94 44.92 40.73 14.35 32.52 8.18 4.22 11.06 4.20 0.09 36.93 2.80 97 Y E E 77.65 11.72 21.09 33.02 111.50 -143.60 -88.97 123.45 36.90 49.20 13.89 29.73 3.66 2.84 10.74 3.77 0.03 47.12 2.11 98 I E E 33.78 19.80 16.47 35.29 101.48 -168.44 -83.69 -25.23 31.15 49.37 19.47 22.84 4.85 4.21 13.88 5.68 0.08 46.70 1.76 99 Y E E 95.99 11.49 18.38 29.93 105.88 65.49 -89.40 -15.76 32.68 49.65 17.67 21.43 6.63 6.40 10.63 6.38 0.15 46.80 1.59 100 K E E 107.59 8.31 19.16 27.65 102.46 57.97 -89.86 3.57 36.09 48.25 15.67 23.95 7.15 6.92 7.77 6.81 0.08 45.77 1.56 101 Y E E 58.96 17.35 13.91 30.55 117.87 97.81 -105.84 138.67 40.94 50.55 8.50 28.57 8.03 5.61 4.68 3.70 0.06 47.24 2.12 102 N E E 86.93 7.33 20.55 28.46 115.86 -149.44 -103.53 123.02 44.99 50.83 4.17 33.69 7.24 4.41 2.18 2.05 0.02 47.86 2.55 103 V C C 41.43 18.26 13.24 30.87 116.65 -164.12 -103.99 126.89 58.33 39.59 2.08 43.48 12.27 2.53 1.21 1.09 0.02 35.10 4.30 104 S C C 45.56 7.95 17.46 26.57 123.82 -162.90 -99.93 152.01 84.56 14.28 1.15 68.35 13.98 1.80 0.59 0.60 0.00 13.08 1.61 105 P C C 78.45 8.92 14.22 24.10 102.00 -106.95 -67.93 -2.22 79.29 7.18 13.53 37.22 21.44 21.61 6.66 6.17 0.03 5.54 1.33 106 T C C 74.34 7.50 14.55 23.17 112.03 77.16 -97.53 124.06 74.42 8.20 17.37 35.84 18.90 20.85 8.54 8.05 0.05 5.91 1.87 107 H C C 102.16 8.59 14.78 24.40 113.79 -130.05 -93.92 128.58 64.00 13.13 22.87 44.66 10.39 8.97 11.27 11.73 0.04 10.03 2.91 108 F C C 80.29 12.85 12.27 25.52 117.33 -147.82 -100.75 133.77 57.86 15.30 26.85 37.86 10.38 10.38 12.42 14.16 0.05 12.12 2.62 109 S C C 60.37 6.79 15.13 23.19 117.25 -151.52 -101.40 134.81 54.47 19.87 25.66 33.98 10.17 11.70 11.49 13.50 0.13 16.00 3.03 110 L C C 81.78 10.27 10.66 21.70 107.28 -143.81 -89.52 83.17 57.05 20.54 22.41 34.75 11.82 11.79 10.27 11.37 0.17 16.20 3.63 111 R C C 141.34 4.98 11.07 17.74 114.77 104.37 -95.41 132.69 75.82 14.18 10.00 65.96 2.76 7.10 5.80 3.50 0.00 11.89 2.98 112 E C C 135.28 3.64 13.27 18.56 109.39 -108.13 -77.10 127.76 99.70 0.24 0.06 99.51 0.16 0.11 0.03 0.01 0.00 0.15 0.03