# 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 K C C 101.63 7.90 22.17 30.26 121.31 -156.09 -108.64 133.29 97.25 2.74 0.00 97.31 0.11 0.01 0.00 0.00 0.00 2.55 0.03 1 I E E 17.70 21.78 14.37 35.98 122.24 -165.38 -115.02 131.83 11.69 88.30 0.00 12.05 0.11 0.01 0.00 0.00 0.00 87.58 0.24 2 R E E 95.25 8.00 23.94 32.36 120.34 -163.10 -115.13 128.64 2.22 97.78 0.00 2.14 0.05 0.00 0.00 0.00 0.00 97.76 0.04 3 I E E 9.22 23.96 16.40 40.67 120.50 -165.85 -114.76 128.48 0.71 99.29 0.00 0.76 0.01 0.00 0.00 0.00 0.00 99.22 0.01 4 K E E 74.40 9.18 26.40 35.99 118.36 -163.06 -111.96 125.64 0.60 99.40 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.40 0.01 5 L E E 5.01 25.57 16.91 43.10 124.39 -170.33 -118.54 136.22 1.54 98.46 0.00 1.56 0.02 0.00 0.00 0.00 0.00 98.39 0.03 6 R E E 97.80 8.75 26.75 36.01 125.40 -169.96 -118.96 139.24 5.45 94.54 0.01 5.10 0.21 0.02 0.00 0.00 0.00 94.49 0.18 7 G E E 6.92 20.58 15.78 36.18 140.51 153.41 -154.43 165.60 32.70 67.24 0.06 30.49 1.65 0.15 0.01 0.04 0.00 66.68 0.98 8 F C S 111.33 8.25 21.02 29.78 95.78 -126.40 -82.62 -20.13 98.79 1.18 0.03 6.31 92.20 0.57 0.00 0.01 0.00 0.82 0.08 9 D C C 65.23 7.22 19.83 27.97 114.73 59.42 -113.69 110.81 98.95 0.91 0.14 69.25 29.52 0.34 0.08 0.04 0.00 0.33 0.44 10 H H H 89.45 13.69 14.46 28.23 93.24 -162.02 -62.84 -35.16 2.71 0.01 97.29 0.45 0.46 1.59 96.87 0.63 0.00 0.00 0.00 11 K H H 145.18 1.44 21.57 21.84 91.79 54.97 -64.21 -40.65 1.58 0.00 98.42 0.18 0.16 1.13 97.85 0.67 0.00 0.00 0.00 12 T H H 38.98 10.36 19.09 30.46 92.15 48.05 -65.63 -41.08 0.81 0.01 99.18 0.17 0.08 0.48 98.53 0.74 0.00 0.00 0.00 13 L H H 4.68 24.93 14.52 39.63 91.27 50.69 -63.14 -43.19 0.34 0.00 99.66 0.07 0.03 0.15 99.61 0.13 0.00 0.00 0.00 14 D H H 66.96 9.39 23.40 32.79 91.44 50.31 -63.43 -41.74 0.26 0.00 99.74 0.04 0.01 0.13 99.77 0.04 0.00 0.00 0.00 15 A H H 53.91 3.07 26.29 28.52 91.32 49.65 -63.80 -42.55 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 16 S H H 8.49 18.96 21.29 40.23 91.85 49.63 -64.56 -42.42 0.27 0.00 99.73 0.03 0.01 0.17 99.76 0.03 0.00 0.00 0.00 17 A H H 6.57 22.95 20.01 42.61 91.24 51.86 -62.69 -42.08 0.15 0.00 99.85 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 18 Q H H 102.63 4.17 26.46 30.96 91.35 51.07 -63.74 -41.54 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 19 K H H 86.62 8.02 25.69 34.07 91.58 49.75 -64.64 -42.08 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 20 I H H 2.14 26.54 20.65 47.32 91.54 49.24 -63.93 -43.65 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 21 V H H 26.30 17.21 22.69 39.34 91.27 49.54 -63.04 -43.04 0.08 0.00 99.92 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 22 E H H 100.35 2.56 27.23 28.56 91.40 49.91 -63.39 -42.08 0.16 0.00 99.84 0.02 0.00 0.09 99.88 0.01 0.00 0.00 0.00 23 A H H 13.21 14.24 21.04 36.22 91.64 49.98 -63.94 -42.67 0.35 0.00 99.65 0.02 0.02 0.23 99.70 0.03 0.00 0.00 0.00 24 A H H 4.05 23.85 15.26 39.28 91.33 51.25 -63.39 -42.17 0.77 0.00 99.23 0.09 0.05 0.48 99.24 0.14 0.00 0.00 0.00 25 R H H 147.79 4.48 20.24 26.03 91.31 50.90 -63.07 -40.34 1.55 0.01 98.45 0.18 0.08 1.13 98.02 0.57 0.00 0.00 0.00 26 R H H 159.76 2.47 19.87 22.53 91.03 53.07 -65.88 -29.89 7.85 0.01 92.14 0.22 0.26 7.43 91.43 0.62 0.01 0.00 0.01 27 S C T 35.13 14.03 14.21 28.70 94.12 50.97 -89.18 -1.40 69.39 0.04 30.56 0.39 1.12 66.88 30.71 0.84 0.00 0.01 0.04 28 G C T 54.24 1.87 21.60 22.65 96.60 -104.28 86.99 11.59 99.85 0.02 0.13 2.32 1.57 96.02 0.04 0.02 0.00 0.01 0.00 29 A C C 13.67 21.89 9.74 30.72 120.71 141.12 -85.69 149.94 98.04 1.94 0.02 96.71 1.41 0.07 0.00 0.01 0.00 1.71 0.09 30 Q E E 120.68 2.70 24.32 26.72 111.80 -126.65 -88.32 125.40 24.69 75.26 0.05 23.71 0.89 0.09 0.01 0.03 0.00 74.33 0.94 31 V E E 31.30 22.94 11.09 32.76 121.29 -162.93 -112.11 130.42 6.54 93.43 0.03 6.44 0.20 0.02 0.02 0.01 0.00 89.77 3.54 32 S E E 63.52 5.18 20.80 26.47 114.95 -171.53 -111.97 126.33 24.89 75.08 0.03 19.38 5.04 0.25 0.01 0.03 0.00 74.67 0.62 33 G C E 33.35 4.97 20.98 26.51 133.16 -14.91 115.59 -176.15 51.47 48.51 0.01 20.02 30.84 0.41 0.00 0.02 0.00 48.45 0.27 34 P C C 63.12 14.26 15.99 29.79 116.25 -64.88 -70.67 146.10 60.08 39.90 0.02 54.40 4.12 0.13 0.00 0.02 0.00 40.57 0.76 35 I E E 36.75 15.98 16.30 32.87 118.98 -151.29 -112.52 126.38 26.20 73.78 0.02 24.59 1.25 0.04 0.01 0.01 0.00 64.52 9.58 36 P E E 78.56 6.25 22.67 29.50 114.67 -116.52 -68.32 143.08 43.72 56.27 0.01 42.35 1.42 0.05 0.00 0.01 0.00 53.33 2.84 37 L C C 37.31 20.91 12.99 32.95 116.83 -117.29 -79.60 140.74 93.27 6.72 0.01 90.80 2.97 0.04 0.00 0.01 0.00 5.71 0.47 38 P C C 44.14 11.30 16.80 29.25 114.20 -103.81 -66.13 147.26 92.39 7.55 0.06 90.92 1.73 0.15 0.01 0.04 0.00 6.50 0.64 39 T C S 88.20 6.49 15.93 23.83 98.90 -156.32 -89.69 -17.79 81.78 18.17 0.06 23.62 57.58 0.71 0.00 0.06 0.00 17.62 0.41 40 R E E 126.40 4.02 18.52 23.53 127.63 49.51 -124.02 143.37 11.75 88.18 0.06 8.79 2.77 0.27 0.01 0.05 0.00 87.88 0.24 41 V E E 62.86 14.67 12.50 26.99 123.26 -159.99 -120.03 134.32 2.82 97.16 0.02 2.62 0.13 0.01 0.00 0.01 0.00 97.18 0.05 42 R E E 101.81 7.74 17.46 26.39 123.34 -168.98 -120.32 136.72 0.71 99.29 0.00 0.63 0.03 0.00 0.00 0.00 0.00 99.33 0.01 43 R E E 116.26 9.18 16.24 26.63 119.40 -150.41 -104.64 130.96 0.69 99.30 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.36 0.01 44 F E E 46.04 13.25 14.77 29.32 126.99 -174.05 -124.64 144.58 1.00 98.99 0.01 0.92 0.04 0.00 0.00 0.00 0.00 99.02 0.02 45 T E E 52.29 9.03 18.20 28.59 120.34 -147.07 -110.00 133.88 2.16 97.82 0.01 2.06 0.07 0.01 0.00 0.01 0.00 97.80 0.06 46 V E E 32.70 13.81 14.83 29.87 118.04 -157.76 -108.66 128.19 9.18 90.73 0.09 8.41 0.58 0.08 0.03 0.04 0.00 90.39 0.46 47 I E E 72.17 8.27 15.71 25.52 114.15 -147.19 -91.24 128.30 36.24 63.35 0.41 28.54 6.70 1.12 0.10 0.29 0.00 62.33 0.93 48 R C C 120.47 7.33 13.62 22.36 114.47 -153.70 -97.71 129.80 65.08 34.02 0.90 43.45 18.99 3.41 0.22 0.74 0.00 30.98 2.21 49 G C C 28.64 6.76 12.38 20.76 126.63 3.18 -121.02 161.62 83.98 12.62 3.40 52.00 23.17 9.27 0.82 2.75 0.00 9.46 2.53 50 P C T 93.80 3.90 11.86 17.05 97.34 -78.87 -68.82 -16.75 88.52 1.33 10.15 12.20 28.96 48.12 1.84 7.53 0.00 0.75 0.60 51 F C T 132.59 4.07 9.59 15.06 104.30 60.96 -87.78 0.39 84.83 2.62 12.55 12.92 26.54 46.27 2.63 8.93 0.02 1.41 1.28 52 K C S 146.14 2.61 10.81 14.68 102.20 19.45 -79.56 -8.80 81.46 5.97 12.57 21.06 32.40 29.34 2.64 8.86 0.03 3.28 2.40 53 H C C 110.68 4.64 9.78 16.10 108.66 51.00 -105.01 93.15 83.30 7.98 8.73 47.68 17.59 18.40 2.20 6.62 0.00 5.04 2.47 54 K C T 139.60 3.81 10.67 16.33 99.30 164.99 -77.71 -19.46 78.88 8.07 13.05 19.05 17.54 43.31 2.01 10.67 0.03 5.59 1.81 55 D C T 114.17 1.88 13.54 15.92 99.97 54.15 -87.53 7.45 80.03 7.93 12.03 20.94 17.51 42.39 1.63 10.12 0.01 6.14 1.25 56 S C C 40.63 9.92 9.61 20.95 115.64 113.62 -87.75 138.14 76.21 15.17 8.62 53.28 15.41 7.51 1.48 7.49 0.00 13.14 1.69 57 R C C 124.53 6.93 13.69 22.12 119.11 -154.73 -106.39 139.45 55.71 41.14 3.15 44.28 7.60 3.42 0.96 2.31 0.00 38.71 2.70 58 E E E 93.69 9.31 13.69 24.04 119.35 -151.76 -103.83 137.80 36.68 61.85 1.47 29.45 5.28 1.49 0.32 1.12 0.00 61.43 0.90 59 H E E 101.01 7.27 15.45 24.02 122.02 -154.83 -113.15 137.22 17.76 81.66 0.59 14.28 2.69 0.85 0.17 0.39 0.00 81.27 0.34 60 F E E 72.20 13.28 12.43 26.32 126.49 -169.48 -120.90 144.93 5.53 94.42 0.05 5.00 0.29 0.05 0.02 0.02 0.00 94.50 0.12 61 E E E 89.39 6.88 17.71 25.93 125.12 -166.13 -123.40 139.52 0.95 99.04 0.01 0.83 0.04 0.01 0.00 0.00 0.00 99.09 0.03 62 L E E 67.57 13.27 14.52 28.16 122.13 -152.81 -112.14 135.12 0.86 99.13 0.01 0.77 0.02 0.00 0.00 0.00 0.00 99.18 0.01 63 R E E 92.03 9.27 17.97 28.30 124.21 -171.70 -121.81 137.90 1.28 98.71 0.01 1.14 0.04 0.01 0.00 0.00 0.00 98.78 0.02 64 T E E 56.10 11.84 16.89 29.41 121.87 -157.45 -112.01 134.35 3.74 96.25 0.01 3.14 0.32 0.04 0.00 0.01 0.00 96.43 0.06 65 H E E 43.41 13.72 17.08 31.76 126.31 -171.47 -124.96 140.00 6.14 93.84 0.02 5.19 0.69 0.07 0.00 0.01 0.00 93.89 0.14 66 N E E 71.91 10.76 20.37 31.29 121.71 -152.90 -110.91 138.24 9.02 90.97 0.01 8.06 0.52 0.03 0.00 0.00 0.00 91.26 0.11 67 R E E 39.06 18.21 17.65 35.60 128.71 -172.65 -128.10 142.88 4.93 95.06 0.00 4.58 0.21 0.01 0.00 0.00 0.00 95.12 0.08 68 L E E 46.72 10.94 23.66 35.34 118.29 -147.16 -107.79 128.83 1.32 98.68 0.00 1.19 0.04 0.00 0.00 0.00 0.00 98.74 0.03 69 V E E 5.21 24.30 17.64 42.65 119.43 -164.19 -113.83 127.78 0.36 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 70 D E E 49.31 9.32 26.30 36.26 115.03 -157.56 -103.76 122.63 0.45 99.55 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 71 I E E 9.08 23.37 16.44 40.31 114.65 -162.84 -105.97 121.22 4.34 95.65 0.01 4.25 0.09 0.01 0.00 0.01 0.00 95.41 0.22 72 I E E 61.92 9.05 21.02 30.80 119.92 -163.87 -102.08 142.66 35.85 64.11 0.05 16.48 18.86 0.83 0.00 0.04 0.00 63.29 0.49 73 N C S 106.44 3.72 22.38 26.46 94.75 4.02 58.08 50.82 89.56 10.42 0.02 10.16 77.66 1.09 0.00 0.02 0.00 10.89 0.18 74 P C C 17.33 22.68 9.70 31.42 117.61 -164.93 -71.27 145.36 94.65 5.26 0.09 89.46 5.24 0.32 0.03 0.05 0.00 4.09 0.80 75 N C C 72.44 4.17 21.00 24.95 123.05 -132.35 -85.48 166.44 98.96 0.77 0.26 97.79 1.20 0.15 0.17 0.04 0.00 0.26 0.38 76 R H H 154.74 5.01 14.88 21.73 91.39 -99.57 -59.48 -36.20 3.28 0.01 96.72 0.28 0.49 2.37 96.18 0.67 0.00 0.00 0.00 77 K H H 132.78 1.78 19.03 20.02 91.77 53.12 -64.80 -40.02 2.20 0.00 97.80 0.16 0.18 1.78 97.07 0.80 0.00 0.00 0.00 78 T H H 17.99 16.17 15.35 32.09 92.39 48.70 -66.04 -41.99 0.90 0.00 99.10 0.12 0.07 0.61 98.43 0.75 0.00 0.00 0.00 79 I H H 18.75 19.41 15.11 34.45 91.40 51.20 -62.71 -43.16 0.20 0.00 99.80 0.03 0.01 0.12 99.56 0.27 0.00 0.00 0.00 80 E H H 104.82 3.08 21.57 24.26 91.45 50.68 -63.61 -40.74 0.34 0.00 99.66 0.03 0.02 0.25 99.04 0.66 0.00 0.00 0.00 81 Q H H 78.65 6.32 19.98 26.99 91.84 50.78 -65.01 -40.77 0.80 0.00 99.19 0.04 0.03 0.66 97.84 1.41 0.00 0.00 0.00 82 L H H 10.82 23.10 14.34 37.19 92.24 51.51 -66.26 -37.56 2.30 0.00 97.69 0.11 0.10 1.98 95.13 2.66 0.00 0.00 0.00 83 M H H 73.65 13.46 16.71 30.10 91.09 58.38 -69.83 -21.83 28.98 0.07 70.95 0.95 0.96 27.11 67.63 3.24 0.03 0.03 0.05 84 T C T 102.81 1.74 19.77 20.75 95.02 56.51 -86.76 -5.46 66.69 0.19 33.13 3.11 2.55 59.54 31.46 3.14 0.01 0.08 0.12 85 L C C 44.84 16.18 10.00 26.09 117.40 104.62 -77.74 143.05 94.91 1.71 3.38 52.86 36.51 5.44 2.65 0.84 0.00 0.64 1.04 86 D C C 118.60 1.56 20.68 21.52 108.91 -124.59 -86.32 112.23 95.33 4.18 0.49 90.63 3.00 1.89 0.23 0.20 0.00 2.25 1.81 87 L C C 34.64 21.82 9.88 30.01 120.71 -169.80 -102.12 137.35 96.60 3.36 0.04 91.24 5.56 0.07 0.01 0.01 0.00 1.24 1.86 88 P C C 51.93 7.43 17.04 26.06 116.40 -107.60 -65.42 154.06 99.27 0.62 0.10 98.33 0.83 0.28 0.02 0.04 0.00 0.26 0.23 89 T C T 102.15 3.41 16.32 21.27 111.20 -85.86 -61.92 138.56 99.02 0.45 0.53 1.05 6.04 92.03 0.05 0.42 0.00 0.28 0.15 90 G C T 45.43 4.24 17.87 23.24 95.51 24.84 86.86 -4.63 98.90 0.73 0.37 2.00 5.29 91.66 0.02 0.36 0.00 0.61 0.07 91 V C C 21.20 20.19 10.72 30.66 119.27 118.21 -98.29 134.47 72.91 26.99 0.11 66.99 4.70 0.27 0.02 0.10 0.00 26.91 1.01 92 E E E 108.54 4.17 23.91 28.24 115.04 -144.41 -98.15 126.96 24.31 75.63 0.05 23.75 0.52 0.08 0.01 0.03 0.00 75.13 0.48 93 I E E 22.86 24.02 11.69 35.00 124.74 -170.40 -121.96 135.76 12.66 87.33 0.01 12.59 0.13 0.01 0.00 0.00 0.00 87.13 0.14 94 E E E 95.90 4.63 24.73 29.60 123.55 -169.02 -121.08 137.22 5.59 94.40 0.01 5.59 0.06 0.01 0.00 0.00 0.00 94.25 0.10 95 I E E 44.73 20.16 12.14 31.37 119.51 -154.85 -108.93 128.91 7.61 92.38 0.01 7.61 0.08 0.01 0.00 0.00 0.00 92.06 0.24 96 K E E 106.67 5.03 17.97 24.31 124.62 -171.81 -120.46 144.04 20.88 79.10 0.02 20.86 0.19 0.03 0.01 0.01 0.00 78.28 0.62 97 T C C 83.26 8.23 14.10 23.55 115.30 -132.17 -92.11 133.44 98.16 1.84 0.00 98.25 0.07 0.01 0.00 0.00 0.00 1.65 0.02