# 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 F C C 83.29 11.17 11.90 23.75 119.82 -149.01 -98.44 140.36 99.48 0.50 0.02 99.46 0.20 0.02 0.01 0.00 0.00 0.23 0.08 1 T C C 65.37 3.97 13.65 18.73 121.43 -136.03 -87.54 164.66 81.89 16.71 1.39 82.62 0.78 0.24 1.33 0.09 0.00 3.19 11.74 2 L H H 123.02 2.31 11.42 14.65 92.48 -102.52 -60.56 -37.37 1.59 0.00 98.40 0.36 0.21 0.83 98.44 0.15 0.00 0.00 0.00 3 I H H 116.25 1.33 13.20 14.15 92.31 51.05 -65.66 -40.30 0.41 0.00 99.59 0.04 0.03 0.26 99.55 0.11 0.00 0.00 0.00 4 E H H 79.95 5.98 12.35 19.71 92.31 49.59 -66.28 -40.29 0.11 0.00 99.89 0.01 0.01 0.07 99.83 0.08 0.00 0.00 0.00 5 L H H 70.81 6.78 12.77 20.74 91.71 50.81 -64.05 -41.13 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 6 A H H 63.01 2.03 15.96 17.42 91.55 50.80 -64.42 -40.97 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 7 I H H 93.54 2.25 16.27 18.27 91.89 49.11 -65.16 -41.53 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 8 V H H 56.18 8.12 14.10 23.09 92.05 49.86 -64.92 -42.13 0.09 0.00 99.91 0.00 0.00 0.07 99.92 0.01 0.00 0.00 0.00 9 I H H 87.84 5.14 15.93 21.40 91.81 49.92 -64.60 -41.24 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 10 V H H 89.63 1.80 17.40 18.30 92.03 49.44 -64.87 -41.51 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 11 I H H 86.36 3.88 16.88 21.00 92.11 48.43 -65.36 -42.26 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 12 I H H 69.59 8.40 15.51 24.29 91.98 49.53 -64.87 -41.47 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 13 G H H 34.77 4.61 16.23 21.37 91.72 51.76 -63.60 -41.27 0.19 0.00 99.81 0.01 0.00 0.15 99.79 0.05 0.00 0.00 0.00 14 I H H 100.36 1.94 18.31 19.29 92.03 49.36 -64.95 -41.60 0.29 0.00 99.71 0.01 0.01 0.27 99.61 0.10 0.00 0.00 0.00 15 L H H 76.62 6.20 16.56 23.09 91.91 49.88 -65.15 -41.12 0.35 0.00 99.65 0.02 0.01 0.28 99.43 0.26 0.00 0.00 0.00 16 V H H 60.31 8.93 14.44 24.21 92.10 51.16 -64.98 -39.76 0.53 0.00 99.47 0.02 0.02 0.44 98.53 0.98 0.00 0.00 0.00 17 A H H 65.87 3.05 16.78 20.01 92.10 52.29 -65.69 -37.70 1.43 0.00 98.57 0.03 0.03 1.43 96.64 1.87 0.00 0.00 0.00 18 I H H 110.48 2.28 17.21 18.96 94.70 47.76 -77.76 -29.35 7.45 0.00 92.54 0.08 0.15 8.06 89.98 1.73 0.01 0.00 0.00 19 A H H 39.16 9.74 13.08 23.73 94.67 53.18 -78.89 -24.42 18.62 0.02 81.36 0.63 1.15 17.07 78.73 2.38 0.02 0.00 0.02 20 V H H 67.95 8.48 13.28 23.01 93.19 73.66 -61.91 -40.78 12.23 0.08 87.68 2.25 1.31 7.20 44.86 44.30 0.01 0.05 0.03 21 P H G 82.19 3.48 15.52 19.72 92.09 55.84 -66.03 -30.17 8.20 0.05 91.75 0.96 0.59 5.52 44.37 48.51 0.00 0.04 0.01 22 R H H 145.28 3.63 15.20 19.66 93.16 57.39 -72.15 -25.85 8.49 0.08 91.43 0.98 0.75 5.66 47.05 45.49 0.01 0.05 0.02 23 F H H 100.33 8.57 12.38 21.87 98.56 49.68 -95.59 -3.46 29.09 2.46 68.45 9.80 5.86 13.32 40.50 27.99 0.22 1.36 0.95 24 V C C 74.07 8.72 11.96 21.75 107.59 91.10 -84.82 97.62 64.06 8.16 27.79 30.32 16.29 18.84 20.95 5.93 0.21 4.08 3.39 25 D C C 97.08 3.24 15.31 19.20 104.31 61.87 -90.79 74.11 80.23 3.65 16.12 48.65 9.67 21.34 12.34 4.39 0.01 2.31 1.30 26 L C C 82.75 9.23 10.26 20.48 101.37 151.55 -82.56 2.67 75.55 3.37 21.08 45.66 12.12 17.52 15.53 5.81 0.02 1.80 1.53 27 T C C 95.17 2.90 13.65 17.50 100.50 76.40 -83.37 -18.08 77.43 1.66 20.91 37.81 19.10 20.72 15.96 4.82 0.02 0.72 0.86 28 D C C 83.20 3.74 12.80 17.73 111.35 80.74 -84.87 141.33 68.65 1.11 30.24 31.05 24.74 12.89 26.47 3.81 0.02 0.40 0.62 29 Q H H 129.33 2.37 13.01 16.47 93.95 -102.24 -63.89 -36.43 19.65 0.26 80.09 8.89 5.27 6.98 75.71 2.89 0.02 0.11 0.12 30 A H H 64.47 2.24 14.77 17.16 92.40 52.46 -65.08 -40.33 11.18 0.16 88.66 4.50 1.99 5.12 85.35 2.87 0.02 0.08 0.06 31 N H H 63.73 8.09 14.24 23.69 92.82 49.93 -66.57 -39.66 8.77 0.18 91.05 4.57 1.37 3.44 87.75 2.70 0.01 0.11 0.06 32 Q H H 77.52 9.26 15.41 25.54 91.77 52.22 -63.98 -40.97 4.76 0.08 95.16 2.26 0.77 1.95 93.67 1.28 0.00 0.04 0.02 33 A H H 60.12 2.18 19.91 21.01 91.59 50.37 -64.22 -41.57 3.15 0.04 96.81 1.33 0.42 1.34 96.33 0.55 0.00 0.02 0.01 34 N H H 84.57 3.71 20.42 24.12 92.26 49.85 -65.60 -40.67 2.45 0.02 97.52 0.98 0.28 1.07 97.25 0.39 0.00 0.01 0.01 35 V H H 26.57 16.29 15.53 32.06 92.01 49.89 -64.73 -41.96 1.34 0.01 98.65 0.43 0.15 0.64 98.54 0.23 0.00 0.00 0.00 36 D H H 81.27 6.25 20.56 27.58 91.50 51.12 -63.49 -40.74 0.74 0.00 99.26 0.21 0.07 0.35 99.23 0.13 0.00 0.00 0.00 37 A H H 62.79 2.14 22.83 23.27 91.86 50.25 -64.52 -41.64 0.57 0.00 99.43 0.13 0.05 0.31 99.41 0.11 0.00 0.00 0.00 38 T H H 42.71 11.29 20.06 31.73 91.92 49.14 -65.25 -41.60 0.47 0.00 99.53 0.09 0.03 0.27 99.51 0.09 0.00 0.00 0.00 39 A H H 21.43 16.15 17.69 33.96 91.42 51.14 -63.31 -41.68 0.30 0.00 99.70 0.04 0.02 0.17 99.70 0.06 0.00 0.00 0.00 40 A H H 57.26 3.19 23.50 26.13 91.46 50.84 -63.65 -41.25 0.24 0.00 99.76 0.03 0.01 0.14 99.76 0.05 0.00 0.00 0.00 41 A H H 51.33 4.73 22.54 27.32 91.58 50.54 -64.38 -41.38 0.22 0.00 99.78 0.02 0.01 0.13 99.78 0.05 0.00 0.00 0.00 42 V H H 24.58 18.23 17.73 35.82 91.83 50.39 -64.48 -41.95 0.16 0.00 99.84 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 43 R H H 114.97 9.03 22.15 31.49 91.07 51.24 -62.43 -41.45 0.15 0.00 99.85 0.01 0.01 0.09 99.85 0.04 0.00 0.00 0.00 44 S H H 64.24 2.13 24.67 25.09 91.52 50.22 -63.89 -41.74 0.28 0.00 99.72 0.03 0.01 0.19 99.73 0.05 0.00 0.00 0.00 45 A H H 28.87 11.24 20.18 32.22 91.68 50.55 -64.40 -41.84 0.24 0.00 99.76 0.02 0.01 0.14 99.78 0.04 0.00 0.00 0.00 46 Y H H 54.17 17.38 18.70 35.36 91.73 51.05 -63.38 -41.79 0.20 0.00 99.80 0.02 0.01 0.11 99.81 0.04 0.00 0.00 0.00 47 A H H 55.80 3.97 22.95 26.78 91.37 50.74 -63.43 -41.79 0.29 0.00 99.71 0.03 0.02 0.17 99.71 0.07 0.00 0.00 0.00 48 I H H 84.80 3.31 22.77 25.39 91.62 49.14 -64.72 -42.08 0.52 0.00 99.48 0.06 0.03 0.33 99.47 0.11 0.00 0.00 0.00 49 A H H 13.09 14.60 15.21 31.15 91.59 50.58 -64.03 -41.95 0.97 0.01 99.02 0.15 0.08 0.61 98.93 0.23 0.00 0.00 0.00 50 T H H 50.51 10.57 15.65 27.06 91.95 50.74 -64.28 -40.79 2.60 0.04 97.37 0.45 0.25 1.75 96.89 0.63 0.01 0.02 0.01 51 V H H 108.53 1.40 17.93 18.24 92.38 49.63 -66.09 -38.12 5.05 0.03 94.92 0.49 0.43 3.97 94.27 0.80 0.01 0.01 0.01 52 Q H H 121.58 2.71 15.69 18.94 94.04 45.15 -75.96 -29.32 12.55 0.06 87.39 0.77 1.19 10.52 86.63 0.80 0.04 0.02 0.03 53 A C H 42.91 11.41 9.70 21.38 101.80 45.44 -98.00 12.75 57.34 0.75 41.91 11.93 10.72 34.11 40.69 1.79 0.05 0.23 0.49 54 K C T 172.78 1.04 15.81 16.26 98.90 -129.64 42.83 57.11 93.68 0.80 5.51 9.71 13.28 70.86 3.08 2.14 0.00 0.42 0.51 55 G C T 51.03 3.06 15.41 19.33 111.07 -0.33 95.09 3.33 97.53 0.83 1.64 12.22 23.30 62.17 0.36 1.16 0.00 0.51 0.29 56 I C C 76.37 12.24 13.04 25.69 117.05 -57.60 -100.72 128.16 97.93 1.81 0.26 60.22 37.19 0.73 0.12 0.12 0.00 0.59 1.03 57 P C C 45.37 11.82 15.46 28.24 115.93 -116.96 -70.02 153.12 98.38 1.32 0.30 89.89 7.60 0.92 0.12 0.14 0.00 0.58 0.76 58 T C C 64.71 5.61 21.38 26.98 121.10 -115.36 -84.58 160.81 94.36 3.82 1.82 83.64 8.55 1.36 1.39 0.44 0.00 1.05 3.57 59 C H H 41.80 17.22 12.62 29.35 92.52 -109.51 -60.13 -35.75 14.37 0.28 85.35 4.45 3.75 7.67 77.50 6.28 0.07 0.13 0.14 60 D H H 100.51 2.86 19.21 22.58 91.58 58.26 -65.20 -35.33 8.33 0.16 91.51 1.83 1.25 5.53 84.14 7.06 0.04 0.10 0.05 61 Q H H 91.27 5.07 18.85 24.46 92.76 50.65 -67.87 -37.28 5.39 0.24 94.37 1.62 0.81 3.21 85.65 8.44 0.03 0.21 0.05 62 V H H 22.27 19.44 13.33 32.11 93.62 52.25 -68.15 -38.68 6.42 0.53 93.05 1.88 1.03 3.90 86.15 6.43 0.05 0.47 0.09 63 F H H 95.76 11.48 16.64 27.96 94.52 52.57 -73.19 -23.87 18.24 2.26 79.50 4.17 2.79 12.14 73.26 5.01 0.30 1.81 0.51 64 A H H 76.42 2.88 18.07 20.98 96.44 61.56 -77.81 -18.05 39.32 4.25 56.43 8.73 8.35 24.33 50.59 3.67 0.43 2.68 1.22 65 N C C 83.86 7.23 15.21 23.44 109.66 45.72 -109.96 92.17 80.52 6.87 12.61 37.49 32.88 10.07 11.18 2.04 0.03 4.35 1.96 66 P C C 68.58 12.82 11.02 23.85 105.55 -160.81 -70.98 88.31 81.82 7.80 10.39 54.03 11.02 16.91 3.95 6.17 0.00 5.87 2.05 67 E C T 137.03 3.34 15.70 20.11 108.26 134.65 -91.67 102.82 79.03 11.96 9.01 27.94 19.68 33.06 2.33 5.91 0.03 8.15 2.89 68 G C C 48.50 4.54 14.52 20.46 115.55 -55.95 104.43 177.29 84.75 10.62 4.63 31.21 25.74 28.92 0.78 3.76 0.01 7.79 1.79 69 G C C 41.09 6.45 14.23 22.07 123.97 114.98 132.12 -175.46 79.42 18.97 1.61 51.51 21.96 6.20 0.40 1.49 0.00 14.65 3.79 70 S C C 71.98 5.97 15.40 22.91 120.91 -88.26 -107.69 142.97 70.43 28.38 1.20 53.93 12.25 3.35 0.38 1.05 0.00 22.22 6.80 71 T C C 65.51 12.39 11.12 23.64 114.83 -143.94 -95.65 129.12 74.47 23.53 2.00 54.66 12.83 6.30 0.52 1.79 0.00 18.99 4.90 72 S C C 83.54 3.28 14.47 19.17 114.39 -153.16 -90.95 129.48 79.50 17.99 2.52 35.43 22.05 23.62 0.45 2.16 0.01 13.38 2.91 73 G C S 58.33 2.12 14.43 17.29 102.06 15.33 86.15 -1.25 83.84 14.52 1.63 28.49 32.68 23.56 0.20 1.60 0.00 11.82 1.64 74 S C C 57.35 9.12 10.89 21.08 120.94 120.49 -99.02 147.41 75.45 23.35 1.20 49.95 20.58 5.23 0.25 1.17 0.00 20.10 2.71 75 T C C 93.12 4.27 15.11 20.99 119.98 -148.95 -110.92 137.93 58.09 40.99 0.92 37.02 18.35 4.22 0.20 0.88 0.00 36.62 2.70 76 W E E 112.97 12.52 11.29 24.11 120.36 -156.11 -108.72 134.79 38.39 60.86 0.75 28.47 9.29 2.11 0.25 0.62 0.00 55.21 4.05 77 T E E 82.72 5.13 15.69 22.30 121.72 -164.64 -114.39 137.94 40.31 59.12 0.57 33.95 4.90 1.20 0.22 0.42 0.00 56.15 3.15 78 S C C 58.48 10.09 10.59 21.34 118.61 -148.90 -101.88 143.86 57.67 41.34 1.00 43.06 11.35 3.54 0.28 0.89 0.00 37.75 3.12 79 S C C 78.24 3.77 12.54 17.42 108.91 -153.99 -96.37 82.49 75.84 21.81 2.34 42.31 22.36 12.15 0.47 2.07 0.00 17.59 3.05 80 D C T 111.06 2.60 12.38 15.89 105.93 15.31 -91.27 25.43 89.63 6.99 3.38 15.92 35.10 39.10 0.41 2.89 0.00 5.29 1.28 81 N C T 117.72 3.80 12.34 17.36 102.06 -35.15 -84.92 19.24 90.07 7.15 2.78 16.18 35.40 38.74 0.28 2.51 0.00 5.90 0.98 82 S C C 62.74 6.55 11.95 19.98 121.25 114.62 -107.59 144.10 66.98 31.73 1.29 35.20 25.30 8.22 0.23 1.23 0.00 27.62 2.21 83 T E E 72.91 8.64 13.12 22.86 119.09 -151.55 -107.50 132.57 39.88 59.60 0.52 30.71 8.02 1.65 0.14 0.43 0.00 57.52 1.54 84 T E E 78.31 7.46 15.97 24.51 119.75 -158.72 -108.00 132.93 20.76 78.82 0.42 16.90 3.34 0.78 0.15 0.25 0.00 77.52 1.06 85 V E E 57.71 13.18 13.48 27.19 121.40 -166.20 -114.61 134.09 12.71 86.86 0.42 10.75 1.69 0.48 0.19 0.20 0.00 85.73 0.95 86 S E E 64.29 6.06 18.27 25.40 122.97 -161.04 -111.98 140.08 19.19 80.36 0.45 16.22 2.50 0.64 0.20 0.24 0.00 79.04 1.16 87 C E E 47.51 14.90 11.44 26.24 123.01 -162.13 -114.79 140.73 45.05 54.09 0.86 35.99 7.18 2.02 0.26 0.65 0.00 52.18 1.72 88 N C C 97.54 4.23 17.16 21.90 113.34 -149.77 -100.97 132.43 75.00 22.03 2.98 39.13 23.62 13.33 0.52 2.48 0.01 18.92 2.00 89 A C T 69.88 7.63 12.60 21.14 99.02 -108.97 -70.54 -17.38 84.65 9.29 6.07 20.07 29.57 35.90 0.89 4.91 0.01 7.03 1.61 90 S C T 83.39 2.57 15.63 18.50 101.67 58.01 -89.90 2.81 85.91 8.84 5.25 25.84 27.23 33.59 0.79 4.42 0.01 6.65 1.48 91 A C C 52.53 9.71 12.18 22.76 118.36 86.51 -96.52 137.64 81.45 14.63 3.92 40.63 27.90 13.71 0.83 3.33 0.00 11.52 2.08 92 D C S 90.36 6.92 16.11 23.96 104.14 -149.38 -93.23 2.66 74.41 23.40 2.19 29.65 36.68 8.18 0.60 1.53 0.00 22.13 1.23 93 T E E 61.08 8.77 17.60 27.20 126.48 44.87 -124.31 141.60 34.10 63.92 1.99 23.61 8.31 3.36 0.74 1.21 0.00 61.86 0.90 94 F E E 40.68 17.44 14.58 32.28 125.76 -167.16 -123.22 138.90 10.32 88.78 0.90 8.49 1.34 0.58 0.55 0.40 0.00 88.15 0.50 95 T E E 52.26 8.96 21.41 31.25 120.28 -155.15 -112.65 131.28 4.74 94.80 0.46 4.03 0.47 0.23 0.29 0.17 0.00 94.59 0.22 96 I E E 31.64 16.46 15.15 32.43 120.26 -163.93 -114.86 129.58 5.80 93.68 0.52 4.75 0.72 0.31 0.32 0.20 0.00 93.33 0.37 97 S E E 45.80 8.16 16.44 25.97 122.00 -166.00 -112.41 139.16 23.80 75.55 0.65 19.49 3.28 1.00 0.24 0.40 0.00 74.99 0.61 98 R E E 116.70 8.94 12.55 22.35 117.86 -171.47 -128.79 115.08 44.63 51.96 3.41 12.20 13.77 21.35 0.47 2.79 0.01 48.10 1.32 99 G C T 64.34 1.11 14.07 14.63 96.96 -14.52 62.68 19.31 93.32 2.90 3.79 5.73 18.77 68.41 0.32 3.83 0.00 2.49 0.45 100 G C T 59.95 2.06 12.87 15.54 98.23 -52.06 83.50 0.98 93.17 3.05 3.77 9.08 29.30 54.57 0.32 3.64 0.00 2.62 0.45 101 K E E 119.25 3.87 13.99 19.43 122.61 109.56 -104.58 143.36 40.59 58.42 0.99 27.46 10.92 3.68 0.33 0.77 0.00 55.40 1.43 102 T E E 74.41 10.20 12.55 23.74 122.32 -149.19 -112.21 138.07 17.14 82.52 0.34 14.20 2.27 0.55 0.16 0.22 0.00 81.60 1.00 103 R E E 82.03 10.92 16.02 27.95 127.70 -171.88 -124.85 144.24 8.87 90.81 0.32 7.35 1.13 0.40 0.15 0.19 0.00 90.33 0.45 104 T E E 73.73 8.33 18.45 27.79 122.45 -144.70 -108.87 138.27 8.94 90.72 0.34 7.64 0.92 0.34 0.17 0.19 0.00 90.32 0.42 105 L E E 25.24 18.82 14.24 33.28 127.12 -171.09 -126.02 142.85 13.43 86.12 0.45 11.66 1.27 0.42 0.22 0.23 0.00 85.61 0.59 106 N E E 79.53 6.82 22.60 30.04 119.51 -150.58 -108.69 130.82 14.47 84.98 0.55 12.04 1.85 0.58 0.26 0.29 0.00 84.40 0.58 107 L E E 21.45 20.81 13.99 34.87 120.42 -160.89 -109.86 130.89 16.73 82.81 0.46 14.53 1.61 0.48 0.24 0.24 0.00 81.83 1.07 108 T E E 58.25 6.84 20.69 28.35 122.73 -167.62 -116.70 137.99 24.98 74.71 0.31 22.67 1.51 0.38 0.15 0.17 0.00 73.13 1.97 109 V C C 52.70 14.67 11.46 26.20 113.43 -141.20 -91.17 127.39 51.68 47.93 0.38 48.41 1.34 0.61 0.16 0.19 0.00 46.71 2.57 110 N C C 110.75 3.71 17.59 22.09 106.33 -135.66 -87.57 80.92 99.59 0.40 0.01 99.36 0.21 0.09 0.00 0.00 0.00 0.31 0.02