# 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 A C C 39.42 13.48 14.31 27.57 101.01 72.59 -72.17 -19.94 99.38 0.05 0.57 99.23 0.11 0.16 0.44 0.02 0.00 0.02 0.01 1 A H H 67.51 3.36 15.47 19.61 94.15 68.03 -64.32 -37.15 30.64 0.62 68.73 22.14 1.71 7.40 57.41 10.74 0.00 0.39 0.21 2 A H H 54.73 6.06 13.86 21.33 94.61 54.41 -67.94 -36.31 26.41 1.88 71.72 13.20 4.46 9.56 55.20 15.64 0.06 1.43 0.44 3 L H H 45.47 14.87 11.03 25.75 94.13 54.06 -68.60 -35.09 20.04 2.56 77.40 10.90 3.40 6.30 57.01 19.81 0.03 2.10 0.44 4 A H H 65.67 5.88 14.08 21.41 93.05 58.58 -65.66 -35.47 21.41 2.70 75.89 11.49 3.59 7.05 57.38 17.79 0.06 2.07 0.57 5 R H H 167.53 2.05 16.28 18.59 92.41 55.31 -70.16 -24.42 31.01 2.94 66.04 10.02 5.02 15.98 48.73 16.94 0.25 2.26 0.80 6 L C T 62.35 12.42 12.80 25.62 97.20 55.16 -87.07 -1.23 60.65 1.99 37.37 7.77 9.33 41.99 25.62 12.86 0.19 1.22 1.02 7 G C T 50.30 3.39 20.64 24.06 95.72 -113.72 75.02 20.00 95.40 1.18 3.42 17.73 9.39 68.82 1.53 1.45 0.00 0.75 0.33 8 L C C 23.39 21.65 10.81 31.61 119.23 143.50 -92.75 140.07 86.25 12.36 1.39 76.23 7.55 1.98 0.56 0.82 0.00 6.78 6.08 9 R C C 118.36 6.64 23.59 30.64 119.50 -132.17 -91.28 143.30 89.20 10.11 0.70 75.04 12.36 1.70 0.17 0.51 0.00 8.84 1.38 10 P C C 55.01 14.43 19.77 33.60 113.50 -103.54 -68.85 143.02 87.63 11.85 0.52 70.98 13.62 2.47 0.10 0.47 0.00 11.18 1.19 11 V E E 17.99 21.95 14.74 36.21 118.10 -141.01 -98.87 129.66 37.83 62.09 0.08 37.12 0.86 0.10 0.03 0.05 0.00 59.55 2.29 12 K E E 111.18 6.33 22.11 29.07 98.95 -168.84 -88.68 -29.88 41.94 58.05 0.02 20.20 21.51 0.25 0.00 0.02 0.00 57.86 0.17 13 Q E E 79.64 7.01 23.71 31.54 136.89 7.98 -150.41 146.31 3.29 96.71 0.01 2.53 0.48 0.02 0.00 0.00 0.00 96.92 0.04 14 V E E 8.79 24.67 14.67 39.66 124.27 -165.35 -127.18 130.41 0.42 99.58 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.00 15 R E E 96.52 7.96 26.13 34.58 117.10 -160.00 -111.10 125.06 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 16 V E E 7.69 24.59 16.76 41.74 123.63 -171.42 -120.39 134.11 0.35 99.65 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 17 Q E E 64.89 9.88 26.55 37.00 120.40 -164.66 -114.56 129.24 1.89 98.11 0.00 1.74 0.04 0.00 0.00 0.00 0.00 98.17 0.04 18 F E E 14.27 22.81 18.17 40.54 136.40 171.36 -138.45 156.49 18.34 81.65 0.00 17.37 0.89 0.01 0.00 0.00 0.00 80.61 1.11 19 C C C 19.25 14.04 21.39 36.48 108.80 -121.43 -93.69 114.86 97.66 2.34 0.01 97.21 0.84 0.03 0.00 0.00 0.00 1.71 0.21 20 P C T 32.62 16.36 17.02 34.36 92.33 -156.06 -66.78 -18.48 99.44 0.15 0.41 1.38 6.34 91.72 0.03 0.39 0.00 0.09 0.05 21 F C T 102.65 8.99 18.54 28.34 94.48 61.46 -88.42 -2.36 99.45 0.11 0.44 1.28 6.91 91.27 0.03 0.41 0.00 0.06 0.04 22 E C S 67.85 11.58 12.43 25.03 119.32 98.37 -85.08 143.36 96.59 2.32 1.09 37.25 57.53 1.54 0.33 0.61 0.00 0.77 1.97 23 K C T 165.21 1.46 17.05 18.50 93.72 -125.30 -64.76 -27.89 91.80 0.48 7.72 3.83 9.73 79.02 1.62 5.24 0.00 0.26 0.29 24 N C T 76.80 9.44 15.78 26.02 96.14 50.07 -90.79 8.81 92.79 0.44 6.77 9.77 6.60 76.85 2.67 3.63 0.00 0.21 0.27 25 V H H 17.80 20.71 12.54 32.79 95.72 103.76 -73.45 -18.16 46.33 0.65 53.02 40.18 3.94 4.42 45.73 5.09 0.00 0.23 0.41 26 E H H 111.96 4.15 23.90 28.61 92.35 83.75 -63.40 -40.86 5.86 0.05 94.09 2.80 0.84 2.22 93.28 0.81 0.00 0.02 0.03 27 S H H 23.46 13.13 22.22 35.76 91.78 51.09 -64.83 -41.03 3.63 0.05 96.33 1.16 0.52 1.94 95.44 0.89 0.01 0.03 0.02 28 T H H 3.03 25.52 19.47 45.03 91.43 50.85 -64.26 -41.75 1.13 0.01 98.87 0.31 0.13 0.60 98.39 0.55 0.00 0.00 0.00 29 R H H 73.33 14.70 24.14 37.87 91.56 52.11 -62.75 -41.52 0.23 0.00 99.77 0.06 0.02 0.11 99.73 0.08 0.00 0.00 0.00 30 T H H 58.55 7.06 26.86 34.61 91.61 50.42 -63.91 -41.88 0.23 0.00 99.77 0.03 0.01 0.13 99.77 0.05 0.00 0.00 0.00 31 F H H 5.76 24.28 22.04 45.87 91.37 50.25 -63.14 -43.97 0.28 0.00 99.72 0.03 0.02 0.18 99.73 0.05 0.00 0.00 0.00 32 L H H 8.15 23.82 21.93 44.92 91.24 50.22 -63.64 -42.03 0.51 0.00 99.49 0.06 0.03 0.34 99.43 0.13 0.00 0.00 0.00 33 Q H H 88.42 7.24 25.39 33.05 91.60 51.41 -64.26 -40.19 2.10 0.01 97.90 0.16 0.11 1.72 97.49 0.50 0.01 0.00 0.00 34 T H H 33.83 13.08 22.46 35.63 92.09 49.88 -66.22 -40.03 6.47 0.02 93.51 0.37 0.43 5.54 92.60 1.03 0.02 0.01 0.01 35 V H H 7.49 23.89 18.39 41.90 92.94 50.16 -71.47 -29.97 18.79 0.12 81.09 1.62 2.03 15.16 79.69 1.33 0.06 0.04 0.07 36 S C H 33.56 14.89 19.15 34.10 97.35 54.81 -92.90 -0.48 59.85 0.75 39.40 12.63 9.43 37.21 37.52 2.42 0.05 0.25 0.49 37 S C C 34.25 10.51 14.84 27.05 115.51 117.46 -71.57 141.94 90.36 1.02 8.61 55.98 31.06 2.41 8.76 0.74 0.00 0.24 0.81 38 E H H 139.53 2.65 16.20 20.15 92.15 -121.42 -60.27 -36.00 7.07 0.05 92.88 1.17 1.60 4.39 91.43 1.34 0.03 0.01 0.02 39 K H H 126.09 2.74 18.02 21.09 91.99 54.94 -64.58 -39.64 5.36 0.03 94.61 0.65 0.64 4.04 92.71 1.90 0.03 0.01 0.01 40 V H H 13.70 19.44 12.43 31.70 93.40 46.66 -68.11 -41.07 3.44 0.04 96.53 0.53 0.40 2.48 94.23 2.33 0.01 0.02 0.01 41 R H H 90.40 13.32 14.40 27.64 92.11 52.13 -65.52 -36.18 4.71 0.06 95.23 0.65 0.56 3.46 93.26 2.00 0.03 0.03 0.02 42 S H H 83.98 1.50 18.58 19.13 92.27 53.58 -71.06 -27.00 24.10 0.11 75.79 1.22 1.71 21.19 73.94 1.77 0.06 0.05 0.06 43 T H H 71.17 6.65 16.26 23.84 98.98 41.36 -90.64 -22.99 41.91 0.40 57.69 3.02 8.38 30.42 56.04 1.62 0.13 0.13 0.27 44 N C C 32.61 16.87 11.01 27.42 113.02 36.13 -125.92 95.19 94.26 3.19 2.55 77.32 13.04 3.62 1.45 1.08 0.00 1.62 1.88 45 L C T 116.40 4.01 16.55 22.16 94.38 -164.21 -69.93 -18.08 96.01 2.00 1.99 6.07 18.12 72.04 0.28 1.61 0.00 1.45 0.43 46 N C T 111.26 3.17 19.10 22.75 96.80 56.21 -91.78 3.02 95.40 3.41 1.18 6.13 18.05 71.09 0.09 1.14 0.00 3.24 0.27 47 C C C 13.27 23.12 9.32 31.33 117.43 110.73 -85.66 136.69 68.60 31.29 0.12 55.14 11.63 0.46 0.01 0.12 0.00 32.09 0.54 48 S E E 59.39 4.54 25.73 30.25 118.65 -156.73 -105.29 133.60 4.60 95.40 0.01 4.35 0.15 0.01 0.00 0.00 0.00 95.34 0.15 49 V E E 28.10 23.38 12.51 35.11 121.67 -159.51 -114.69 129.52 0.64 99.36 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.37 0.01 50 I E E 80.03 5.61 24.54 30.44 118.83 -169.26 -117.83 125.56 0.39 99.61 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.63 0.00 51 A E E 33.56 20.76 12.88 32.39 123.46 -165.90 -117.22 134.05 0.99 99.01 0.00 0.90 0.02 0.00 0.00 0.00 0.00 99.07 0.01 52 D E E 77.67 4.80 23.92 28.97 117.21 -172.01 -122.38 119.76 2.47 97.53 0.00 2.13 0.13 0.00 0.00 0.00 0.00 97.71 0.03 53 V E E 46.20 19.21 12.77 31.23 117.46 -159.18 -104.43 126.92 5.61 94.38 0.01 5.48 0.13 0.01 0.00 0.00 0.00 94.15 0.22 54 R E E 112.97 5.97 19.78 26.61 120.27 -170.41 -113.87 135.44 23.43 76.50 0.07 22.37 0.84 0.10 0.02 0.04 0.00 75.22 1.41 55 H C C 99.37 11.84 12.14 24.35 113.49 -146.21 -96.99 119.31 69.46 30.20 0.34 58.72 7.90 1.41 0.06 0.33 0.00 30.27 1.30 56 D C C 89.85 4.70 14.99 20.94 100.92 169.96 -96.98 5.94 93.32 5.94 0.74 52.99 27.39 13.21 0.09 0.83 0.00 4.51 0.98 57 G C S 55.26 3.15 14.97 19.44 96.21 -110.85 78.56 7.64 97.65 1.85 0.51 33.80 47.68 16.19 0.05 0.62 0.00 1.18 0.47 58 S C S 52.70 6.21 16.10 23.70 126.53 112.29 -103.25 157.35 96.32 3.47 0.21 47.31 47.33 2.10 0.04 0.20 0.00 1.62 1.40 59 E C C 97.52 8.40 20.09 28.90 116.76 -98.98 -76.88 144.29 97.71 2.24 0.05 49.58 47.70 0.82 0.00 0.05 0.00 1.55 0.30 60 P C C 15.44 22.11 15.56 37.40 114.40 -99.07 -68.77 143.05 92.64 7.32 0.03 74.79 17.03 0.64 0.00 0.04 0.00 7.26 0.24 61 C E E 33.37 11.06 25.13 36.90 131.46 -163.76 -132.20 147.37 2.93 97.06 0.00 2.72 0.12 0.00 0.00 0.00 0.00 96.98 0.18 62 V E E 3.92 25.50 17.67 44.04 122.17 -154.80 -116.62 131.40 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 63 D E E 39.32 9.42 26.67 37.12 117.42 -158.78 -109.62 126.16 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 64 V E E 4.63 24.73 16.74 42.16 124.44 -171.21 -121.48 135.07 0.03 99.97 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 65 L E E 50.29 7.72 24.71 33.44 115.24 -154.92 -107.21 123.44 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 66 F E E 16.40 19.99 13.36 33.58 122.14 -153.83 -88.56 161.64 27.06 72.90 0.04 26.93 0.40 0.04 0.01 0.02 0.00 72.11 0.49 67 G C T 38.28 9.49 15.31 25.60 92.38 -98.76 -62.03 -26.03 97.87 0.47 1.67 0.46 3.20 94.29 0.03 1.65 0.00 0.31 0.06 68 D C T 100.73 2.78 15.42 18.85 93.17 56.55 -87.47 1.70 98.07 0.09 1.84 0.22 2.67 95.14 0.03 1.87 0.00 0.04 0.02 69 G C S 48.56 3.51 14.63 19.34 97.08 -100.71 88.94 5.02 98.16 0.42 1.42 10.06 84.31 4.04 0.13 1.09 0.00 0.19 0.18 70 H C C 90.34 6.36 14.59 22.83 117.24 137.27 -76.51 142.63 97.41 2.56 0.03 96.80 0.85 0.11 0.00 0.01 0.00 1.99 0.23 71 R E E 123.55 9.70 15.81 26.97 123.60 -155.47 -118.71 135.31 1.43 98.57 0.00 1.40 0.04 0.00 0.00 0.00 0.00 98.43 0.13 72 L E E 31.10 16.57 17.12 34.16 123.03 -168.64 -119.22 133.38 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 73 I E E 72.85 10.42 22.57 33.30 117.29 -152.85 -105.81 125.24 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 74 M E E 17.06 21.36 16.34 37.67 122.72 -170.76 -117.48 134.22 1.39 98.61 0.00 1.31 0.03 0.00 0.00 0.00 0.00 98.60 0.05 75 R E E 119.02 7.10 24.25 31.74 116.83 -151.85 -98.48 130.48 25.01 74.88 0.10 21.22 2.88 0.37 0.02 0.08 0.00 75.00 0.44 76 G C C 10.69 19.81 15.38 34.38 114.10 160.18 -116.47 149.86 84.77 9.06 6.16 59.40 16.01 8.82 0.47 6.90 0.00 7.16 1.24 77 A C T 55.94 9.55 19.18 28.92 95.56 102.26 -69.81 -24.70 95.24 1.72 3.04 3.07 15.62 76.22 0.12 3.38 0.00 1.18 0.39 78 H C T 134.41 3.53 20.66 24.49 98.63 30.74 -98.50 12.76 95.68 1.42 2.90 7.02 13.14 74.85 0.14 3.55 0.00 0.99 0.32 79 L C C 24.43 19.43 11.68 30.93 118.97 122.42 -90.64 141.69 95.42 4.31 0.27 76.04 19.51 0.30 0.13 0.13 0.00 1.89 2.01 80 T C C 57.29 4.63 24.35 28.59 124.41 -137.36 -88.00 164.38 83.78 16.00 0.21 83.30 0.99 0.06 0.16 0.03 0.00 2.82 12.65 81 A H H 27.41 19.33 15.18 34.05 91.63 -104.88 -58.62 -38.67 1.14 0.00 98.85 0.18 0.18 0.63 98.86 0.14 0.00 0.00 0.00 82 L H H 94.96 5.04 21.45 26.92 91.62 52.97 -63.66 -40.98 0.39 0.00 99.61 0.05 0.03 0.23 99.58 0.11 0.00 0.00 0.00 83 E H H 85.11 6.26 22.25 28.88 91.82 48.86 -65.63 -40.29 0.13 0.00 99.87 0.03 0.01 0.06 99.83 0.08 0.00 0.00 0.00 84 M H H 5.31 24.38 16.90 41.48 91.35 49.94 -63.45 -43.90 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 85 L H H 34.19 16.79 20.70 37.05 91.41 50.22 -63.02 -42.23 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 86 T H H 77.80 2.82 25.18 27.16 91.56 49.95 -64.38 -41.68 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 87 A H H 21.93 12.13 21.33 34.30 91.63 49.60 -64.15 -42.44 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 88 F H H 8.91 23.53 18.61 42.02 91.50 49.34 -63.69 -42.93 0.07 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 89 A H H 37.75 10.18 21.15 31.93 91.38 51.13 -62.87 -41.48 0.21 0.00 99.79 0.02 0.01 0.14 99.81 0.02 0.00 0.00 0.00 90 S H H 57.39 2.88 23.58 25.49 91.57 51.03 -64.54 -41.70 0.89 0.00 99.11 0.06 0.04 0.68 99.14 0.08 0.00 0.00 0.00 91 H H H 45.23 13.06 19.53 32.99 92.41 48.98 -66.12 -41.35 2.21 0.00 97.79 0.20 0.13 1.67 97.80 0.20 0.00 0.00 0.00 92 I H H 23.35 16.91 16.52 33.70 92.29 49.53 -64.78 -42.34 4.01 0.05 95.94 1.10 0.50 2.28 95.60 0.48 0.00 0.02 0.01 93 R H H 135.66 3.22 20.39 23.85 91.75 50.65 -64.40 -40.68 7.13 0.18 92.69 2.74 1.02 3.52 91.39 1.17 0.01 0.10 0.06 94 A H H 55.93 3.67 17.89 22.09 92.53 51.02 -65.98 -39.20 12.09 0.20 87.71 3.88 1.56 6.78 85.82 1.76 0.02 0.10 0.07 95 R H H 90.13 9.83 14.95 25.66 93.88 49.64 -69.35 -35.45 16.59 0.35 83.06 5.92 2.97 8.54 80.07 2.16 0.03 0.16 0.15 96 D H H 75.32 6.63 14.77 22.51 95.00 53.08 -69.46 -32.19 28.99 0.68 70.32 14.07 5.94 9.74 67.53 2.12 0.02 0.29 0.29 97 A H H 67.36 3.05 13.39 17.43 95.36 56.76 -69.36 -31.84 41.78 0.98 57.24 23.95 6.47 12.10 53.79 2.81 0.01 0.44 0.44 98 A C H 71.76 3.36 11.83 16.44 98.26 59.29 -74.38 -23.47 50.28 1.16 48.56 23.18 9.03 19.52 42.94 4.18 0.05 0.51 0.59 99 G C T 49.17 3.72 11.28 16.47 105.67 41.59 -26.54 -24.03 65.73 1.09 33.18 26.17 12.72 27.73 26.99 5.26 0.03 0.46 0.64 100 S C T 86.59 2.15 10.95 14.28 101.98 46.67 -84.71 6.99 78.25 1.12 20.64 27.65 18.04 33.45 13.98 5.68 0.01 0.47 0.71 101 G C C 57.10 2.28 11.22 14.70 101.55 -57.94 81.15 3.63 90.08 1.17 8.75 32.74 26.79 31.28 3.94 4.09 0.00 0.54 0.63 102 D C C 104.92 2.89 11.10 15.74 113.81 118.42 -88.85 131.30 93.68 2.30 4.02 60.20 25.43 8.10 1.55 2.32 0.00 1.06 1.34 103 K C C 128.83 4.48 10.65 17.15 118.14 -152.49 -100.13 135.08 97.32 2.18 0.50 71.69 25.08 0.76 0.26 0.21 0.00 0.94 1.06 104 P C C 79.93 5.89 10.63 18.31 112.14 -109.23 -67.41 149.84 92.27 2.61 5.12 78.97 6.75 6.52 2.09 2.82 0.00 1.41 1.44 105 G C C 50.91 3.80 11.50 16.75 110.32 -99.63 -68.34 167.04 87.62 2.24 10.15 62.33 12.40 12.56 3.41 6.86 0.00 1.15 1.30 106 A C C 78.44 3.67 10.25 15.51 102.18 -78.43 -76.21 -3.22 78.87 2.59 18.55 42.03 17.98 18.98 4.89 13.52 0.00 1.29 1.31 107 D C C 106.68 3.15 9.88 14.64 105.39 72.70 -87.03 61.50 78.75 2.73 18.51 41.52 17.71 19.75 4.83 13.47 0.01 1.34 1.37 108 T C C 90.48 4.59 8.40 14.66 105.89 140.52 -89.55 32.56 84.07 2.61 13.33 43.45 19.03 22.07 3.55 9.34 0.00 1.27 1.28 109 G C C 55.54 2.38 10.30 14.17 109.99 -99.10 66.02 104.66 94.01 1.49 4.50 74.58 4.84 15.16 1.15 2.67 0.00 0.87 0.71 110 R C C 171.24 2.48 11.05 15.08 108.64 -100.50 -89.87 104.88 99.81 0.16 0.03 99.60 0.20 0.08 0.01 0.00 0.00 0.08 0.03