# 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 148.01 2.71 17.06 20.65 112.44 -144.35 -91.49 130.98 99.91 0.08 0.01 99.78 0.11 0.05 0.00 0.00 0.00 0.05 0.01 1 G C C 34.86 8.31 13.91 23.20 125.14 -55.96 112.66 -170.73 86.50 13.26 0.24 79.65 2.95 2.76 0.05 0.20 0.00 13.46 0.94 2 I E E 60.60 12.19 13.66 26.67 118.90 -71.52 -102.43 136.16 45.54 54.17 0.29 38.57 5.36 0.87 0.07 0.25 0.00 53.61 1.28 3 K E E 117.96 5.98 19.59 26.70 115.68 -139.14 -95.87 129.78 24.04 75.77 0.20 21.38 2.11 0.32 0.06 0.13 0.00 74.81 1.19 4 V E E 13.95 21.09 13.07 34.13 126.38 -172.61 -122.97 141.05 18.21 81.73 0.06 17.07 0.74 0.07 0.02 0.03 0.00 81.79 0.28 5 T E E 50.86 7.05 23.25 31.01 117.66 -140.04 -98.00 133.02 10.56 89.39 0.05 9.61 0.61 0.06 0.01 0.02 0.00 89.54 0.14 6 V E E 12.17 22.30 14.29 36.56 125.63 -170.11 -122.35 138.01 2.93 97.05 0.03 2.67 0.14 0.02 0.01 0.01 0.00 97.07 0.08 7 Q E E 71.05 6.98 23.43 31.06 116.64 -152.99 -106.34 125.53 1.55 98.43 0.02 1.41 0.06 0.01 0.01 0.00 0.00 98.46 0.04 8 L E E 17.06 20.57 14.28 35.15 120.53 -162.95 -111.06 130.43 2.42 97.54 0.04 2.19 0.11 0.02 0.01 0.01 0.00 97.59 0.06 9 K E E 82.05 6.34 20.99 28.19 120.46 -166.05 -113.62 131.37 4.21 95.68 0.11 3.64 0.33 0.09 0.04 0.04 0.00 95.71 0.15 10 I E E 40.05 14.60 11.08 26.44 117.75 -158.82 -109.12 128.07 15.50 84.07 0.43 13.12 1.62 0.50 0.15 0.22 0.00 83.99 0.40 11 Q C E 101.58 4.49 13.28 19.24 117.99 -174.63 -118.26 127.27 49.62 46.48 3.90 24.93 10.39 15.16 0.77 2.65 0.01 45.26 0.83 12 N C T 129.92 1.47 13.27 14.69 96.57 -6.55 53.14 36.81 93.06 2.54 4.40 27.35 17.44 48.58 0.92 3.29 0.00 1.96 0.45 13 R C T 166.72 4.24 11.16 16.93 97.21 -58.82 65.62 14.04 91.33 3.67 5.00 26.78 23.98 41.01 0.92 3.92 0.00 2.77 0.61 14 Q E E 126.43 1.77 14.14 16.49 120.78 115.12 -107.70 138.56 45.72 53.01 1.27 26.55 12.90 8.20 0.29 0.95 0.00 50.00 1.11 15 A E E 53.54 11.35 9.83 21.61 123.36 -141.70 -112.42 142.02 23.97 75.52 0.50 19.96 2.87 0.85 0.19 0.26 0.00 75.30 0.57 16 A E E 58.05 5.63 16.39 23.58 128.28 -173.86 -128.91 146.05 10.74 88.95 0.31 8.87 1.36 0.32 0.14 0.12 0.00 88.84 0.34 17 A E E 54.99 12.11 12.63 25.31 124.07 -157.09 -116.93 139.00 6.97 92.84 0.18 6.03 0.55 0.13 0.08 0.06 0.00 92.96 0.19 18 S E E 51.21 7.77 17.06 26.13 128.74 -175.58 -128.33 149.19 6.25 93.63 0.11 5.41 0.51 0.09 0.04 0.04 0.00 93.74 0.17 19 V E E 74.58 10.56 16.51 27.87 118.48 -142.06 -106.73 128.72 8.80 91.14 0.07 7.79 0.78 0.08 0.03 0.03 0.00 90.79 0.51 20 V E E 46.57 13.14 17.03 30.77 123.61 -172.56 -117.27 134.80 30.25 69.71 0.04 28.49 1.13 0.05 0.02 0.02 0.00 69.76 0.54 21 P C C 44.98 12.35 18.85 31.65 115.86 -106.83 -68.28 151.67 52.27 47.56 0.17 50.12 1.44 0.14 0.10 0.07 0.00 46.86 1.28 22 S C C 31.62 12.97 21.33 34.22 119.45 -111.39 -78.23 158.31 85.49 13.03 1.48 84.27 1.95 0.50 1.28 0.29 0.00 7.41 4.31 23 A H H 24.10 19.43 19.55 38.36 92.04 -112.49 -60.48 -36.43 7.12 0.08 92.79 2.43 1.44 3.37 91.41 1.27 0.01 0.03 0.04 24 S H H 38.39 14.98 22.06 36.09 91.87 56.83 -64.06 -39.31 4.13 0.05 95.82 1.13 0.61 2.29 94.65 1.26 0.01 0.02 0.02 25 S H H 35.04 10.34 22.68 33.41 92.31 50.36 -65.84 -39.91 1.70 0.03 98.27 0.62 0.23 0.85 97.07 1.20 0.00 0.02 0.01 26 L H H 23.13 17.04 20.85 37.76 92.14 51.45 -64.91 -42.99 0.74 0.02 99.24 0.25 0.08 0.36 98.92 0.36 0.00 0.01 0.00 27 V H H 17.64 19.67 20.80 39.80 92.26 49.32 -64.16 -43.44 0.46 0.01 99.53 0.09 0.04 0.27 99.40 0.18 0.00 0.01 0.00 28 I H H 40.10 11.92 20.25 32.96 91.99 49.58 -63.84 -43.04 0.49 0.01 99.50 0.08 0.04 0.31 99.30 0.26 0.00 0.00 0.00 29 T H H 66.29 6.65 21.58 28.63 92.11 49.22 -65.18 -41.02 1.18 0.01 98.81 0.10 0.06 0.93 98.31 0.58 0.00 0.00 0.00 30 A H H 27.87 15.10 17.11 32.35 91.87 50.32 -66.45 -33.39 5.79 0.01 94.20 0.17 0.23 5.46 93.48 0.65 0.01 0.00 0.01 31 L H H 42.60 14.57 14.97 30.11 94.70 47.94 -84.91 -7.43 46.29 0.39 53.32 2.45 4.11 38.16 53.57 1.24 0.11 0.12 0.25 32 K C T 155.97 2.66 18.64 21.95 96.09 -130.20 57.68 35.56 96.93 0.42 2.65 21.45 8.34 67.38 1.92 0.53 0.00 0.20 0.19 33 E C C 81.67 8.98 12.63 22.99 122.61 124.87 -108.94 141.59 99.27 0.52 0.20 67.97 31.07 0.30 0.12 0.06 0.00 0.15 0.33 34 P C C 82.12 3.96 16.71 21.52 115.63 -102.19 -65.52 149.92 99.15 0.18 0.67 95.25 3.23 0.81 0.19 0.34 0.00 0.07 0.10 35 P C C 65.77 11.58 11.96 24.06 111.91 -102.85 -65.75 145.30 92.27 1.05 6.68 79.10 7.25 5.84 2.00 4.59 0.00 0.46 0.76 36 R C C 115.29 8.15 12.27 21.61 113.16 -131.42 -88.19 147.11 84.44 3.68 11.88 56.92 17.32 9.78 4.85 6.91 0.00 1.63 2.59 37 D C C 86.95 3.92 14.17 19.14 107.23 -117.09 -86.31 105.26 82.97 4.16 12.87 62.02 12.36 7.92 5.81 7.12 0.00 1.96 2.81 38 R C C 112.05 9.80 9.23 19.83 96.82 159.09 -73.23 -12.66 61.90 2.31 35.80 30.46 11.67 20.65 11.76 22.97 0.02 1.12 1.36 39 K C T 146.24 2.34 11.64 15.28 94.70 72.64 -69.77 -25.14 61.96 1.40 36.64 16.56 12.79 33.21 10.59 25.27 0.03 0.68 0.87 40 K C T 152.63 1.45 12.10 13.88 96.74 53.03 -81.60 -12.68 62.85 1.66 35.49 18.81 17.00 28.55 8.78 24.99 0.03 0.75 1.08 41 D C C 63.65 8.55 8.03 17.77 111.18 68.05 -105.97 98.70 87.52 2.50 9.98 57.69 22.79 6.72 4.01 5.81 0.00 1.00 1.98 42 K C T 158.86 1.69 11.77 14.63 98.20 -163.47 -73.05 -18.27 92.94 0.90 6.16 14.27 14.72 64.02 1.88 4.08 0.00 0.48 0.54 43 N C T 123.09 1.99 12.85 15.60 97.72 50.26 -86.87 5.65 95.13 0.83 4.04 12.50 17.79 64.89 0.78 3.21 0.00 0.51 0.32 44 V C C 53.87 11.41 9.20 21.57 117.73 97.94 -99.79 129.29 89.83 7.50 2.67 60.76 24.51 4.22 0.95 1.80 0.00 4.14 3.61 45 K C C 132.78 3.99 17.08 22.48 114.46 -154.28 -97.18 127.27 89.39 9.41 1.20 80.09 6.99 2.01 0.43 0.73 0.00 7.53 2.22 46 H C C 73.93 14.22 13.87 27.95 121.49 -164.55 -114.66 133.39 80.96 18.30 0.75 73.52 5.44 1.33 0.26 0.50 0.00 15.21 3.74 47 S C C 55.50 9.57 16.75 27.29 128.41 171.01 -129.09 151.00 75.27 24.35 0.38 65.28 7.69 1.47 0.11 0.30 0.00 22.68 2.47 48 G E E 24.67 9.10 19.26 29.27 140.03 143.70 -163.69 173.68 46.77 53.07 0.16 29.87 16.75 1.18 0.04 0.15 0.00 50.45 1.55 49 N E E 91.72 7.85 20.26 29.15 123.26 -98.70 -112.86 137.93 23.72 76.19 0.09 20.69 2.75 0.19 0.04 0.07 0.00 73.43 2.84 50 I E E 13.76 21.87 13.36 35.32 124.57 -163.22 -122.55 137.94 26.96 72.98 0.06 26.53 0.70 0.04 0.04 0.02 0.00 67.69 4.99 51 Q C C 84.22 4.31 24.54 28.52 117.84 -120.78 -77.49 150.45 51.31 48.60 0.09 53.27 0.41 0.03 0.06 0.02 0.00 44.01 2.19 52 L H H 39.35 19.78 13.93 33.21 91.79 -119.10 -57.95 -38.84 0.81 0.00 99.19 0.17 0.07 0.44 99.05 0.26 0.00 0.00 0.00 53 D H H 97.91 2.71 22.37 25.12 91.20 55.70 -63.04 -38.28 0.15 0.00 99.85 0.01 0.01 0.10 99.74 0.14 0.00 0.00 0.00 54 E H H 72.72 8.64 21.31 30.44 91.81 50.85 -66.00 -40.12 0.04 0.00 99.96 0.00 0.00 0.03 99.88 0.09 0.00 0.00 0.00 55 I H H 2.79 25.96 16.47 42.96 91.44 50.47 -63.94 -43.85 0.04 0.00 99.96 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 56 I H H 36.43 14.54 21.30 35.90 91.36 50.15 -62.97 -42.58 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 57 E H H 101.48 2.49 26.04 27.18 91.32 50.33 -63.30 -42.56 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 58 I H H 18.67 15.17 21.38 37.26 91.65 49.27 -63.76 -43.21 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 59 A H H 3.18 24.10 16.60 41.08 91.26 50.72 -63.24 -42.48 0.21 0.00 99.79 0.01 0.01 0.15 99.71 0.12 0.00 0.00 0.00 60 R H H 121.44 6.40 22.23 29.23 91.40 51.18 -63.71 -40.17 1.35 0.00 98.64 0.06 0.05 1.18 98.09 0.62 0.00 0.00 0.00 61 Q H H 98.09 3.55 22.71 25.92 91.93 50.85 -66.90 -36.86 5.72 0.01 94.27 0.21 0.25 5.12 93.55 0.85 0.01 0.00 0.00 62 M H H 28.20 16.67 14.95 31.97 95.09 46.97 -82.75 -20.23 19.33 0.13 80.54 2.69 2.21 14.60 78.35 1.96 0.06 0.04 0.09 63 R H H 86.18 15.42 12.97 27.81 92.67 84.92 -61.07 -37.03 40.67 0.75 58.57 11.60 4.52 25.08 48.19 9.70 0.07 0.36 0.49 64 D C T 119.87 1.24 17.50 17.97 92.06 56.88 -70.35 -20.35 53.82 0.45 45.73 6.55 5.67 40.16 36.63 10.41 0.06 0.22 0.29 65 K C T 133.93 3.51 15.41 19.83 99.67 45.25 -94.46 -4.12 69.18 0.48 30.34 6.25 13.80 48.90 21.08 9.27 0.06 0.20 0.43 66 S C T 40.76 13.09 11.64 24.70 124.71 50.40 -126.16 149.89 87.09 1.97 10.94 22.96 28.05 36.52 5.92 4.34 0.03 0.72 1.46 67 F C C 142.06 4.19 17.22 22.25 96.10 -132.79 -79.58 -2.24 93.68 1.92 4.40 44.72 22.21 26.86 1.05 3.20 0.00 0.87 1.08 68 G C C 19.18 14.78 10.36 25.07 115.31 116.43 -82.71 143.52 95.15 1.45 3.40 67.96 12.71 14.22 0.84 2.64 0.00 0.67 0.96 69 R C S 175.54 2.14 17.89 20.47 97.43 -170.01 -86.16 -20.01 98.04 0.40 1.56 19.52 75.28 3.59 0.69 0.54 0.00 0.14 0.25 70 T C S 72.15 3.35 21.44 24.52 131.66 29.89 -132.54 156.05 95.94 2.44 1.62 26.20 68.76 0.90 1.37 0.24 0.00 0.43 2.09 71 L H H 43.34 19.31 13.40 32.07 91.97 -115.65 -59.38 -38.56 1.92 0.00 98.08 0.27 0.33 1.11 97.85 0.43 0.00 0.00 0.00 72 A H H 57.89 7.11 20.54 28.29 91.52 55.26 -62.49 -41.20 0.87 0.00 99.13 0.08 0.06 0.62 98.76 0.48 0.00 0.00 0.00 73 S H H 40.95 3.99 22.48 26.74 91.12 49.97 -64.15 -41.25 0.35 0.00 99.65 0.06 0.03 0.21 99.17 0.54 0.00 0.00 0.00 74 V H H 8.99 18.99 17.79 37.45 91.66 50.16 -63.55 -43.22 0.14 0.00 99.86 0.02 0.01 0.08 99.82 0.08 0.00 0.00 0.00 75 T H H 12.37 21.03 19.31 39.84 91.25 50.43 -62.99 -42.91 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 76 K H H 122.54 3.74 25.13 29.16 91.62 50.30 -63.71 -41.11 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 77 E H H 85.11 7.11 24.67 32.04 91.81 49.16 -65.25 -41.50 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 78 I H H 4.39 24.89 19.64 44.40 91.76 48.15 -64.43 -43.41 0.25 0.00 99.75 0.01 0.01 0.18 99.75 0.04 0.00 0.00 0.00 79 L H H 36.97 17.94 21.39 38.28 91.17 50.29 -62.47 -42.33 1.23 0.00 98.77 0.10 0.06 0.94 98.73 0.16 0.00 0.00 0.00 80 G H H 36.89 2.82 25.55 27.29 91.53 50.39 -63.32 -42.77 5.33 0.02 94.65 0.41 0.33 4.49 94.31 0.44 0.00 0.01 0.01 81 T H H 37.71 10.65 22.17 33.43 91.91 49.25 -65.45 -41.38 7.42 0.08 92.51 0.79 1.06 5.62 91.51 0.92 0.03 0.03 0.04 82 A H H 3.13 24.64 14.73 39.59 91.28 51.45 -63.67 -42.96 6.83 0.22 92.95 1.96 1.12 3.91 90.30 2.45 0.04 0.11 0.11 83 Q H H 103.07 7.65 19.68 28.26 91.38 51.80 -63.41 -39.19 6.63 0.19 93.18 1.15 0.68 4.71 84.97 8.25 0.05 0.13 0.07 84 S H H 81.51 2.26 20.63 22.70 90.34 56.90 -66.25 -25.03 18.20 0.14 81.66 0.83 0.96 16.56 72.61 8.81 0.08 0.08 0.06 85 V C T 44.00 14.39 15.50 30.43 93.88 51.43 -89.45 1.50 67.55 0.10 32.35 0.62 1.91 66.21 24.50 6.63 0.01 0.04 0.08 86 G C T 41.13 4.39 22.56 27.35 99.21 -99.03 91.12 9.92 99.20 0.07 0.73 2.94 2.66 93.85 0.33 0.17 0.00 0.04 0.01 87 C C C 14.32 22.57 10.78 32.72 121.26 137.68 -89.70 147.63 84.60 15.38 0.02 81.44 2.49 0.10 0.00 0.01 0.00 15.73 0.23 88 R E E 140.20 3.66 24.41 28.37 118.35 -140.90 -103.97 130.61 6.24 93.75 0.01 6.15 0.18 0.02 0.00 0.01 0.00 92.80 0.84 89 V E E 28.57 22.45 12.14 33.72 121.41 -162.51 -112.24 130.70 6.16 93.82 0.01 6.14 0.15 0.02 0.01 0.00 0.00 92.98 0.70 90 D E E 72.97 5.54 20.13 26.29 113.60 -166.65 -109.46 116.03 41.20 58.65 0.15 35.81 3.39 0.49 0.03 0.10 0.00 59.62 0.56 91 F C C 102.19 12.44 11.27 23.74 101.52 -167.79 -85.35 6.60 78.83 20.47 0.70 50.69 22.43 5.02 0.13 0.64 0.00 20.20 0.88 92 K C C 139.60 3.04 12.43 17.03 105.51 109.07 -84.43 48.82 93.91 5.43 0.66 84.10 5.34 4.26 0.15 0.51 0.00 5.01 0.64 93 N C C 114.57 3.62 13.03 18.10 105.39 -41.11 -85.94 65.52 99.88 0.10 0.02 99.62 0.20 0.11 0.00 0.00 0.00 0.06 0.01