# 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 V C C 38.46 18.22 15.93 33.34 113.13 -155.04 -92.45 121.09 99.80 0.11 0.09 99.75 0.08 0.05 0.06 0.00 0.00 0.04 0.02 1 N C C 72.41 9.81 14.98 25.37 107.01 -159.28 -84.81 98.89 67.88 0.53 31.59 62.06 0.73 3.99 31.99 0.80 0.00 0.20 0.23 2 T H H 89.18 3.41 16.19 20.11 95.90 103.02 -68.99 -34.12 29.14 0.31 70.55 17.12 4.05 7.66 69.49 1.41 0.00 0.12 0.14 3 A H H 44.24 7.57 16.42 25.15 93.37 54.83 -66.64 -39.42 10.64 0.13 89.24 5.68 1.54 3.50 87.99 1.19 0.00 0.05 0.05 4 L H H 25.14 19.32 14.67 33.44 92.89 52.01 -65.32 -41.21 2.44 0.02 97.54 1.20 0.35 0.89 96.90 0.64 0.00 0.01 0.00 5 Q H H 76.57 9.98 18.62 28.98 91.93 52.23 -63.62 -40.79 0.96 0.01 99.04 0.40 0.11 0.39 98.85 0.25 0.00 0.00 0.00 6 E H H 104.36 2.69 22.57 24.36 92.11 50.60 -65.12 -41.54 0.65 0.00 99.35 0.21 0.06 0.31 99.27 0.15 0.00 0.00 0.00 7 V H H 28.95 14.93 19.42 34.62 92.10 49.96 -64.38 -43.17 0.43 0.00 99.56 0.10 0.04 0.23 99.55 0.08 0.00 0.00 0.00 8 L H H 18.64 21.43 17.99 38.89 91.80 50.01 -64.07 -41.73 0.40 0.00 99.60 0.09 0.03 0.20 99.61 0.06 0.00 0.00 0.00 9 K H H 109.03 5.12 23.06 28.61 91.47 51.31 -63.23 -41.44 0.65 0.00 99.35 0.13 0.04 0.35 99.36 0.11 0.00 0.00 0.00 10 T H H 56.15 5.52 22.22 28.13 91.98 49.65 -65.06 -41.35 1.00 0.01 98.99 0.15 0.08 0.64 98.89 0.23 0.00 0.00 0.00 11 A H H 7.82 20.21 14.66 35.31 91.69 51.39 -64.32 -40.82 2.16 0.03 97.81 0.32 0.19 1.48 97.35 0.63 0.01 0.01 0.01 12 L H H 66.45 12.84 17.34 30.06 92.52 51.51 -66.60 -38.14 6.07 0.09 93.84 0.79 0.53 4.57 92.53 1.46 0.04 0.04 0.04 13 I H H 116.94 2.88 19.46 22.34 92.97 50.25 -70.33 -30.90 12.38 0.13 87.49 0.97 1.07 10.29 86.45 1.02 0.07 0.05 0.06 14 H C T 95.64 7.60 15.40 24.08 103.31 50.92 -92.01 9.93 62.24 0.46 37.30 3.22 8.25 48.69 37.36 1.91 0.06 0.16 0.35 15 D C T 103.15 5.25 19.33 25.57 98.23 -107.72 35.82 38.33 95.62 0.48 3.90 6.22 16.70 73.00 2.52 1.08 0.00 0.30 0.17 16 G C C 17.20 15.53 18.44 33.56 100.62 -46.69 84.34 8.93 85.36 13.43 1.21 58.52 13.80 12.16 0.26 0.92 0.00 13.76 0.59 17 L E E 24.21 20.68 19.71 39.82 117.62 137.11 -85.35 134.26 23.16 76.61 0.23 20.56 2.24 0.25 0.14 0.12 0.00 73.31 3.37 18 A E E 12.99 19.64 21.11 40.36 124.61 -159.57 -110.15 142.00 11.38 88.52 0.10 11.10 0.42 0.05 0.08 0.03 0.00 84.93 3.39 19 R E E 98.59 12.95 24.11 36.49 127.25 -166.19 -124.14 140.35 26.85 73.08 0.07 24.96 1.69 0.09 0.04 0.03 0.00 71.67 1.52 20 G C S 17.49 9.73 25.38 36.21 125.72 10.34 94.91 168.81 92.58 2.11 5.32 12.63 75.43 3.39 6.63 0.32 0.00 0.92 0.68 21 I H H 30.14 21.75 16.65 37.72 91.65 -82.93 -60.59 -39.27 1.25 0.00 98.75 0.10 0.22 0.80 98.70 0.17 0.00 0.00 0.00 22 R H H 144.06 4.00 24.00 28.73 91.40 51.65 -63.27 -41.54 0.59 0.00 99.40 0.05 0.05 0.42 99.27 0.21 0.00 0.00 0.00 23 E H H 79.67 7.32 24.33 31.93 91.78 47.57 -66.12 -40.43 0.22 0.00 99.78 0.03 0.01 0.13 99.65 0.18 0.00 0.00 0.00 24 A H H 1.39 26.32 16.60 43.58 91.25 51.22 -63.33 -43.30 0.10 0.00 99.90 0.01 0.01 0.05 99.89 0.04 0.00 0.00 0.00 25 A H H 16.94 16.25 21.90 38.11 91.37 50.95 -62.36 -42.75 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 26 K H H 111.08 2.36 26.76 27.70 91.63 49.98 -63.73 -42.03 0.09 0.00 99.91 0.00 0.00 0.07 99.90 0.03 0.00 0.00 0.00 27 A H H 9.72 14.78 18.57 34.82 91.21 50.49 -63.99 -42.00 0.19 0.00 99.81 0.01 0.01 0.13 99.78 0.08 0.00 0.00 0.00 28 L H H 8.54 23.76 14.52 38.04 91.83 50.93 -64.56 -42.20 0.79 0.00 99.21 0.04 0.03 0.63 99.01 0.29 0.00 0.00 0.00 29 D H H 94.61 4.87 19.16 25.25 91.40 51.54 -65.41 -31.83 5.61 0.00 94.39 0.10 0.17 5.36 94.08 0.28 0.00 0.00 0.00 30 K C T 129.87 2.55 18.78 20.99 93.73 50.49 -87.68 -1.73 83.21 0.02 16.77 0.43 2.06 80.03 16.86 0.58 0.00 0.01 0.03 31 R C T 133.95 10.61 15.90 26.88 94.30 -115.91 65.48 27.04 98.84 0.02 1.14 0.78 5.15 93.14 0.74 0.16 0.00 0.01 0.01 32 Q C C 93.39 7.14 22.22 29.80 98.05 125.45 -91.39 -5.53 99.21 0.70 0.09 62.46 32.02 4.85 0.02 0.07 0.00 0.37 0.21 33 A C C 4.58 25.35 13.88 39.17 118.00 80.04 -96.45 132.07 83.31 16.62 0.06 79.69 3.23 0.21 0.01 0.05 0.00 16.20 0.62 34 H C S 67.71 12.08 26.84 39.65 101.62 177.89 -100.24 -27.33 79.99 19.99 0.02 25.96 52.95 0.31 0.00 0.02 0.00 20.56 0.20 35 L E E 8.79 22.00 27.01 48.27 135.56 13.79 -144.90 145.56 2.69 97.31 0.01 2.30 0.36 0.02 0.00 0.00 0.00 97.12 0.19 36 C E E 1.09 27.34 26.61 53.81 123.67 -162.44 -122.01 132.45 0.23 99.77 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.76 0.01 37 V E E 3.65 24.42 29.32 52.97 118.40 -161.96 -111.01 126.17 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 38 L E E 4.55 24.87 25.99 49.98 125.23 -167.73 -109.87 142.69 1.60 98.40 0.00 1.58 0.02 0.00 0.00 0.00 0.00 98.35 0.04 39 A E E 7.53 20.40 21.56 42.24 115.08 -112.29 -71.01 143.92 26.45 73.40 0.15 25.02 1.17 0.16 0.04 0.10 0.00 72.95 0.57 40 S C T 48.16 12.37 21.41 33.86 93.91 -127.11 -67.52 -25.14 89.91 6.73 3.36 6.16 27.23 56.67 0.17 3.47 0.00 5.58 0.71 41 N C T 83.52 6.15 22.36 29.15 98.76 59.35 -92.34 22.93 95.04 1.39 3.57 24.12 19.35 50.88 0.25 4.17 0.00 0.80 0.43 42 C C C 14.43 22.65 10.29 31.72 101.98 133.26 -78.01 31.46 95.27 0.84 3.88 52.00 11.29 31.36 0.45 4.03 0.00 0.41 0.47 43 D C C 108.46 3.29 18.54 22.66 97.97 111.56 -88.45 -5.75 98.15 0.26 1.60 48.61 19.78 29.45 0.22 1.65 0.00 0.12 0.17 44 E C C 85.84 6.71 13.72 22.31 113.55 93.92 -85.17 127.67 98.98 0.16 0.85 54.21 44.21 0.50 0.75 0.11 0.00 0.03 0.20 45 P H H 94.44 3.66 13.89 19.34 92.63 -133.72 -58.87 -37.63 4.59 0.00 95.40 0.39 0.53 3.52 94.26 1.28 0.00 0.00 0.00 46 M H H 110.00 2.95 17.40 20.64 91.85 54.30 -64.56 -37.52 2.61 0.00 97.39 0.16 0.20 2.17 96.08 1.38 0.00 0.00 0.00 47 Y H H 38.54 16.86 15.28 32.02 92.82 48.64 -67.06 -40.29 1.30 0.00 98.70 0.16 0.11 0.90 97.29 1.54 0.00 0.00 0.00 48 V H H 28.24 16.92 16.27 33.09 91.80 51.98 -62.79 -42.55 0.42 0.00 99.58 0.07 0.03 0.22 99.49 0.18 0.00 0.00 0.00 49 K H H 122.96 2.27 24.03 25.28 91.52 50.71 -63.83 -41.18 0.30 0.00 99.70 0.03 0.01 0.20 99.70 0.06 0.00 0.00 0.00 50 L H H 53.08 10.07 22.11 32.68 91.75 50.11 -64.57 -42.30 0.14 0.00 99.86 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 51 V H H 1.93 26.70 17.31 44.61 91.26 49.05 -63.88 -43.35 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 52 E H H 80.12 11.95 22.49 33.96 91.45 51.24 -62.54 -42.05 0.02 0.00 99.98 0.00 0.00 0.01 99.99 0.00 0.00 0.00 0.00 53 A H H 50.34 2.88 24.31 26.21 91.33 50.34 -63.21 -42.42 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 54 L H H 19.09 15.20 19.37 35.39 91.85 48.96 -64.71 -42.41 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 55 C H H 7.44 21.31 14.01 35.52 91.80 50.13 -63.49 -42.69 0.18 0.00 99.82 0.01 0.01 0.12 99.82 0.04 0.00 0.00 0.00 56 A H H 74.26 2.95 19.07 22.43 92.11 49.34 -64.92 -40.64 0.69 0.00 99.31 0.02 0.02 0.58 99.19 0.19 0.00 0.00 0.00 57 E H H 130.78 2.17 18.39 20.50 92.29 49.06 -66.73 -35.56 4.24 0.00 95.76 0.06 0.11 4.09 95.49 0.25 0.00 0.00 0.00 58 H C T 66.76 12.26 13.61 26.67 98.36 36.27 -104.31 4.44 55.27 0.03 44.70 0.61 1.90 51.53 45.15 0.76 0.01 0.01 0.03 59 Q C T 141.82 1.94 20.81 22.77 93.33 -122.74 57.49 41.23 99.84 0.02 0.14 4.17 1.42 94.32 0.05 0.03 0.00 0.01 0.00 60 I C C 10.69 23.64 11.70 35.34 118.53 155.40 -101.34 133.55 97.88 2.12 0.01 97.01 0.93 0.03 0.00 0.00 0.00 1.96 0.06 61 N E E 65.34 8.09 26.31 35.14 110.51 -120.82 -76.63 128.44 49.38 50.59 0.03 48.26 0.62 0.05 0.00 0.02 0.00 50.80 0.25 62 L E E 24.06 23.73 16.64 39.79 123.12 -162.49 -117.42 132.41 5.78 94.21 0.00 5.78 0.13 0.01 0.00 0.00 0.00 93.86 0.21 63 I E E 26.79 16.19 23.78 39.95 118.60 -163.86 -112.17 126.19 0.60 99.40 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.38 0.02 64 K E E 88.91 13.13 23.84 36.29 116.49 -148.72 -97.76 126.67 1.10 98.90 0.00 1.12 0.02 0.00 0.00 0.00 0.00 98.80 0.06 65 V E E 13.63 20.03 14.71 34.99 127.03 -174.66 -125.31 141.19 32.84 67.11 0.05 32.70 0.51 0.06 0.01 0.02 0.00 66.17 0.53 66 D C S 101.71 4.54 20.99 26.46 98.17 -161.13 -93.97 -9.84 96.60 3.31 0.09 35.88 60.08 0.85 0.02 0.06 0.00 2.94 0.17 67 D C C 63.00 5.63 22.19 28.42 128.74 48.91 -128.88 145.09 97.11 1.21 1.68 58.10 37.40 1.71 1.27 0.39 0.00 0.43 0.69 68 N H H 46.33 19.76 14.03 33.02 93.06 -136.02 -62.96 -34.20 10.13 0.07 89.80 1.73 2.21 6.54 84.81 4.61 0.03 0.03 0.04 69 K H H 122.33 5.43 21.22 27.45 91.73 56.84 -64.46 -40.01 6.16 0.07 93.77 1.01 0.89 4.40 88.58 5.03 0.04 0.03 0.03 70 K H H 88.80 6.85 22.64 29.67 92.54 48.81 -67.93 -40.13 3.36 0.08 96.55 0.99 0.50 1.94 90.74 5.75 0.01 0.05 0.02 71 L H H 3.95 24.66 16.80 41.80 91.35 52.83 -63.02 -43.51 1.73 0.03 98.24 0.38 0.22 1.07 94.83 3.49 0.00 0.02 0.00 72 G H H 6.50 19.05 18.47 37.70 91.61 51.46 -62.94 -41.29 2.68 0.02 97.30 0.31 0.18 1.90 91.08 6.51 0.00 0.01 0.00 73 E H H 115.12 3.70 24.57 28.41 91.92 51.32 -65.35 -40.19 3.84 0.02 96.14 0.25 0.21 3.04 88.26 8.21 0.01 0.01 0.00 74 W H H 65.90 15.60 20.90 35.91 92.69 49.69 -67.32 -37.52 7.82 0.07 92.11 0.50 0.55 6.49 86.25 6.11 0.04 0.03 0.02 75 V H H 7.54 23.46 17.78 41.28 95.13 42.79 -86.30 -14.22 41.34 0.91 57.75 2.15 3.52 35.64 54.23 3.43 0.14 0.45 0.43 76 G C T 32.07 8.17 23.80 32.74 96.94 -121.06 74.28 22.11 97.79 0.79 1.42 14.95 6.59 76.68 0.70 0.44 0.00 0.46 0.17 77 L C C 31.66 17.10 17.61 34.62 100.10 128.60 -88.56 -6.46 90.68 8.16 1.16 57.58 26.33 7.01 0.26 1.00 0.00 6.34 1.48 78 C C C 28.00 16.87 15.33 31.89 125.58 60.25 -116.89 145.66 57.00 42.21 0.79 39.90 13.94 3.47 0.15 0.77 0.00 39.42 2.34 79 K E E 104.71 6.79 18.73 26.46 123.74 -153.39 -113.16 143.15 28.25 71.57 0.18 23.90 4.00 0.54 0.04 0.15 0.00 70.40 0.97 80 I E E 83.36 9.08 11.76 22.27 120.04 -132.84 -106.44 135.94 7.15 92.80 0.05 6.23 0.43 0.03 0.06 0.01 0.00 63.72 29.52 81 D C C 55.65 5.95 9.83 17.91 123.45 -133.75 -83.72 172.76 97.14 2.84 0.02 97.28 0.37 0.06 0.00 0.01 0.00 1.86 0.42 82 R C T 203.67 0.62 9.58 10.29 90.91 -91.25 -64.23 -21.60 99.32 0.27 0.40 0.81 5.76 92.74 0.01 0.43 0.00 0.21 0.04 83 E C T 156.59 0.56 10.29 9.94 93.90 54.07 -87.97 0.79 99.49 0.07 0.45 0.40 5.08 94.00 0.01 0.45 0.00 0.03 0.01 84 G C S 47.92 3.96 9.34 15.23 95.79 -105.09 81.89 7.26 99.25 0.38 0.37 12.97 85.12 1.30 0.03 0.28 0.00 0.16 0.14 85 K C C 125.84 1.99 12.50 15.63 118.22 136.56 -88.16 139.68 98.31 1.66 0.03 88.59 9.75 0.18 0.01 0.02 0.00 1.01 0.44 86 P E B 77.32 7.29 10.96 19.97 113.67 -106.46 -64.67 143.97 9.48 90.41 0.11 8.29 0.52 0.04 0.12 0.03 0.00 41.00 50.00 87 R C C 104.71 8.83 12.30 22.43 123.24 -159.16 -111.26 149.01 58.84 40.96 0.20 49.16 7.30 0.78 0.03 0.20 0.00 41.61 0.92 88 K C E 137.23 3.84 17.25 22.41 113.62 -110.39 -83.65 133.35 55.23 44.45 0.32 42.06 11.69 1.16 0.06 0.31 0.00 43.21 1.51 89 V C C 52.84 15.43 13.67 28.81 115.44 -150.26 -94.81 128.27 52.84 46.80 0.36 47.55 3.37 0.54 0.14 0.25 0.00 43.23 4.91 90 V C C 50.21 11.94 19.02 31.50 117.01 -164.93 -109.18 131.08 57.66 41.92 0.42 45.55 9.39 1.81 0.12 0.40 0.00 38.52 4.22 91 G C C 18.43 13.44 22.28 35.50 120.03 -110.71 93.45 154.99 61.14 38.39 0.47 39.72 18.91 3.30 0.08 0.50 0.00 35.17 2.33 92 C E E 12.51 22.39 19.88 41.69 128.97 -153.02 -125.02 145.85 48.80 50.92 0.28 41.82 5.16 0.69 0.06 0.26 0.00 49.59 2.41 93 S E E 15.12 18.83 26.27 44.09 107.29 -169.36 -104.85 -4.38 31.80 67.95 0.25 23.39 8.50 0.76 0.05 0.22 0.00 65.99 1.10 94 C E E 5.47 23.85 26.02 48.93 133.42 3.45 -138.73 146.98 7.83 92.03 0.13 6.60 1.07 0.13 0.03 0.07 0.00 91.86 0.23 95 V E E 3.61 24.90 27.29 51.38 122.95 -159.89 -119.65 131.51 1.06 98.92 0.02 0.97 0.05 0.01 0.01 0.00 0.00 98.91 0.04 96 V E E 9.49 21.38 27.76 48.26 119.32 -160.57 -112.54 127.50 0.49 99.50 0.01 0.46 0.01 0.00 0.01 0.00 0.00 99.49 0.02 97 V E E 7.25 23.38 21.72 44.94 117.09 -159.74 -108.53 124.37 2.06 97.90 0.04 1.98 0.07 0.01 0.03 0.01 0.00 97.78 0.13 98 K E E 81.80 12.12 23.51 35.00 110.49 -163.66 -99.90 87.10 26.53 72.85 0.62 18.44 7.56 1.21 0.24 0.33 0.00 71.76 0.46 99 D C C 75.01 8.47 21.42 29.95 107.70 12.14 -111.18 98.02 71.83 26.88 1.29 50.39 17.29 3.21 0.30 0.91 0.00 27.11 0.78 100 Y C C 58.90 17.73 13.72 30.73 102.01 173.94 -95.35 1.14 85.55 9.16 5.28 66.47 10.15 8.88 1.85 3.22 0.00 7.80 1.62 101 G C C 32.69 7.46 17.14 25.64 115.57 -138.81 76.79 -159.67 82.50 3.68 13.83 44.42 20.60 18.11 5.58 7.77 0.01 1.88 1.62 102 K C C 146.48 3.34 16.33 20.71 100.36 -28.93 -77.70 -10.32 65.08 1.75 33.17 23.38 21.04 21.73 16.53 15.42 0.05 0.78 1.06 103 E C C 117.74 5.77 14.85 21.79 99.54 65.17 -80.18 -5.07 63.93 1.42 34.64 27.18 17.99 19.13 20.09 14.09 0.03 0.61 0.88 104 S C C 35.62 12.03 12.33 25.15 109.43 103.47 -87.96 132.21 65.07 0.95 33.98 42.89 12.25 9.58 25.98 8.39 0.00 0.40 0.51 105 Q H H 108.62 3.84 19.67 23.88 94.41 -141.11 -66.14 -33.50 22.72 0.36 76.92 12.48 5.00 6.38 72.69 3.13 0.01 0.16 0.16 106 A H H 19.26 16.17 15.69 32.09 92.60 54.72 -64.47 -40.91 10.31 0.17 89.51 4.61 1.72 4.21 86.64 2.66 0.01 0.10 0.06 107 K H H 74.29 13.23 17.40 30.52 91.88 51.95 -63.97 -40.89 6.15 0.16 93.68 3.17 1.00 2.30 91.01 2.36 0.01 0.11 0.04 108 D H H 78.92 3.04 21.02 23.64 91.98 51.07 -64.68 -40.42 6.20 0.27 93.53 3.60 0.98 2.13 91.27 1.78 0.01 0.18 0.06 109 V H H 49.56 7.77 18.79 27.87 92.18 50.06 -64.72 -42.36 4.92 0.45 94.63 2.72 0.79 1.84 92.86 1.36 0.01 0.35 0.07 110 I H H 18.58 18.78 14.65 33.68 92.16 49.84 -64.66 -42.12 3.54 0.38 96.08 1.74 0.52 1.49 94.22 1.60 0.01 0.36 0.05 111 E H H 85.96 7.92 16.86 25.82 91.70 51.69 -63.60 -40.17 4.40 0.26 95.34 1.75 0.57 2.16 92.26 2.96 0.01 0.23 0.05 112 E H H 119.53 1.77 18.03 18.93 92.41 50.82 -66.00 -38.64 7.94 0.16 91.89 1.73 0.89 5.25 87.59 4.35 0.03 0.11 0.06 113 Y H H 89.45 9.92 14.27 25.13 93.79 49.67 -71.02 -34.30 13.97 0.16 85.86 2.27 1.50 10.06 82.44 3.52 0.04 0.09 0.07 114 F H H 63.98 14.15 10.99 25.03 98.22 48.64 -88.09 -8.64 35.91 1.65 62.44 10.61 6.24 20.86 57.82 2.79 0.14 0.77 0.78 115 K C C 144.38 2.80 13.48 17.66 101.28 89.79 -72.46 32.00 69.45 2.49 28.06 41.88 2.00 22.66 29.10 1.90 0.00 1.21 1.25 116 C C C 76.07 6.85 11.52 19.63 106.58 108.59 -90.91 59.90 99.92 0.04 0.03 99.83 0.06 0.05 0.02 0.00 0.00 0.02 0.00