# 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 M C C 55.68 14.35 17.52 31.80 122.50 -172.30 -109.58 141.14 99.49 0.51 0.00 99.51 0.08 0.01 0.00 0.00 0.00 0.39 0.01 1 D E E 63.27 9.65 20.52 30.48 117.00 -131.47 -95.11 131.53 45.68 54.30 0.03 44.52 0.52 0.07 0.00 0.02 0.00 54.27 0.60 2 V E E 9.04 22.45 16.07 38.79 124.30 -163.90 -117.26 135.85 5.67 94.32 0.00 5.40 0.21 0.01 0.00 0.00 0.00 94.27 0.11 3 F E E 42.67 11.86 25.37 38.01 118.45 -156.03 -108.40 130.63 0.72 99.28 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.28 0.01 4 L E E 2.96 25.69 19.85 46.41 119.49 -162.02 -110.25 127.75 0.31 99.69 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.01 5 M E E 30.88 12.96 26.25 39.97 117.76 -159.89 -108.57 126.43 0.28 99.72 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 6 I E E 6.25 23.38 18.90 42.76 121.78 -167.22 -116.61 131.88 0.64 99.36 0.00 0.55 0.03 0.00 0.00 0.00 0.00 99.42 0.01 7 R E E 72.30 10.81 21.72 33.29 117.83 -158.04 -108.28 125.40 5.55 94.42 0.03 4.50 0.55 0.07 0.00 0.01 0.00 94.78 0.08 8 R E E 62.04 14.81 14.08 29.01 120.52 174.35 -130.87 120.86 29.97 69.82 0.21 24.07 4.02 1.02 0.03 0.17 0.00 70.27 0.41 9 H C T 126.92 4.59 16.15 21.61 102.48 -40.70 53.34 -118.65 98.64 0.85 0.51 6.80 26.71 65.09 0.04 0.54 0.00 0.70 0.13 10 K C T 164.78 2.00 15.13 17.53 97.22 -27.12 -85.09 1.93 98.85 0.72 0.43 5.22 25.94 67.63 0.03 0.48 0.00 0.59 0.10 11 T E E 53.98 9.31 13.35 24.28 123.32 97.61 -108.27 139.35 18.81 81.12 0.07 14.39 3.45 0.37 0.01 0.05 0.00 81.43 0.29 12 T E E 59.15 11.92 15.89 28.53 122.59 -157.69 -116.10 132.94 2.94 97.06 0.00 2.55 0.13 0.01 0.00 0.00 0.00 97.28 0.04 13 I E E 29.15 15.58 18.10 34.66 121.35 -167.01 -116.95 130.48 0.50 99.50 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.00 14 F E E 93.05 12.20 20.90 33.14 121.67 -161.08 -111.63 132.51 0.43 99.57 0.00 0.38 0.00 0.00 0.00 0.00 0.00 99.60 0.00 15 T E E 20.41 17.45 18.43 36.05 133.61 175.83 -137.94 152.38 1.03 98.97 0.00 0.97 0.02 0.00 0.00 0.00 0.00 98.99 0.01 16 D E E 80.24 7.72 24.72 33.02 115.22 -128.30 -92.37 128.69 3.16 96.84 0.00 2.88 0.20 0.01 0.00 0.00 0.00 96.86 0.05 17 A E E 6.21 23.65 14.57 38.20 134.93 169.88 -135.89 158.05 16.07 83.91 0.01 16.03 0.41 0.02 0.00 0.01 0.00 82.07 1.45 18 K C C 99.16 4.82 25.31 30.18 122.42 -118.16 -89.30 155.87 58.65 41.19 0.15 57.62 1.04 0.24 0.04 0.11 0.00 38.89 2.06 19 E C T 60.09 18.68 15.09 33.13 91.35 -107.80 -61.04 -27.54 99.50 0.20 0.29 0.25 2.49 96.91 0.01 0.20 0.00 0.11 0.03 20 S C T 74.81 3.75 22.33 26.72 93.68 56.86 -90.24 -0.73 99.63 0.10 0.26 0.36 2.32 96.98 0.01 0.26 0.00 0.06 0.01 21 S C C 14.36 16.42 15.52 33.19 118.49 121.75 -70.37 146.70 98.08 1.83 0.10 63.32 35.05 0.18 0.02 0.07 0.00 0.95 0.42 22 T E B 37.92 8.46 25.44 34.76 122.67 -121.35 -81.18 160.57 7.43 92.54 0.03 5.46 0.10 0.00 0.03 0.00 0.00 5.01 89.40 23 V H H 4.62 25.68 16.98 43.56 90.52 -111.70 -58.37 -39.51 2.14 0.08 97.79 0.28 0.31 1.69 97.08 0.55 0.03 0.04 0.01 24 F H H 85.99 10.33 23.86 34.21 91.40 54.55 -62.64 -40.54 0.53 0.00 99.47 0.03 0.03 0.46 99.15 0.34 0.00 0.00 0.00 25 E H H 82.12 5.98 25.86 32.29 91.59 49.84 -65.20 -40.70 0.17 0.00 99.82 0.01 0.01 0.14 99.59 0.25 0.00 0.00 0.00 26 L H H 2.25 25.94 19.37 45.62 91.45 50.30 -64.09 -42.95 0.10 0.00 99.90 0.01 0.01 0.07 99.84 0.07 0.00 0.00 0.00 27 K H H 38.79 20.11 21.16 39.80 91.33 52.44 -61.78 -42.69 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 28 R H H 133.53 3.28 25.52 28.80 91.63 50.08 -64.34 -41.65 0.10 0.00 99.90 0.00 0.00 0.08 99.88 0.02 0.00 0.00 0.00 29 I H H 46.38 11.01 22.87 34.36 92.11 47.95 -65.22 -42.88 0.18 0.00 99.82 0.01 0.01 0.15 99.80 0.03 0.00 0.00 0.00 30 V H H 2.41 25.45 17.25 43.20 92.15 47.65 -65.67 -42.49 0.49 0.00 99.51 0.02 0.03 0.38 99.52 0.05 0.00 0.00 0.00 31 E H H 52.63 13.02 17.82 31.31 91.68 51.47 -63.58 -40.74 1.32 0.01 98.68 0.11 0.08 0.99 98.58 0.23 0.00 0.00 0.00 32 G H H 45.78 2.24 21.12 22.32 92.49 51.20 -65.62 -39.92 4.89 0.01 95.10 0.19 0.20 4.46 94.54 0.59 0.00 0.00 0.00 33 I H H 66.71 10.98 17.26 28.68 96.28 42.67 -77.03 -37.74 9.60 0.02 90.38 0.29 0.62 8.81 89.69 0.54 0.02 0.01 0.01 34 L H H 35.72 16.01 13.31 29.27 98.51 35.99 -95.83 -9.40 26.33 0.21 73.46 2.83 6.55 17.21 72.44 0.67 0.08 0.04 0.18 35 K C T 168.64 1.27 18.85 19.51 94.37 -128.99 56.70 38.02 99.58 0.06 0.37 38.58 8.15 52.93 0.18 0.11 0.00 0.03 0.03 36 R C C 73.63 10.53 13.39 25.40 131.24 119.87 -126.97 153.06 99.75 0.23 0.02 68.61 31.08 0.07 0.01 0.01 0.00 0.05 0.17 37 P C C 61.28 4.34 20.41 25.11 113.85 -98.41 -64.81 146.86 99.92 0.06 0.03 99.74 0.19 0.02 0.01 0.00 0.00 0.02 0.02 38 P H G 33.29 20.25 11.53 31.06 91.08 -117.61 -57.98 -34.26 6.82 0.04 93.14 0.51 0.52 4.19 0.41 94.35 0.00 0.03 0.00 39 D H G 106.48 3.59 19.93 24.61 90.37 62.11 -68.87 -18.15 5.94 0.06 94.00 0.22 0.38 4.16 0.34 94.86 0.00 0.04 0.00 40 E H G 104.07 5.60 20.52 26.79 95.91 53.26 -95.96 -2.28 6.70 0.16 93.14 0.80 0.78 3.68 0.37 94.25 0.00 0.12 0.00 41 Q C C 14.14 23.25 12.90 35.93 121.36 94.95 -92.77 142.01 63.76 35.67 0.57 54.64 9.99 0.39 0.15 0.45 0.00 32.40 1.98 42 R E E 88.07 10.00 27.30 37.69 127.43 -166.55 -124.46 140.92 14.91 85.03 0.06 15.33 0.33 0.03 0.02 0.03 0.00 82.37 1.89 43 L E E 3.75 25.79 18.48 45.18 116.13 -135.86 -93.65 131.00 5.49 94.48 0.03 4.81 0.55 0.04 0.01 0.02 0.00 94.41 0.16 44 Y E E 34.77 12.73 23.05 36.86 132.17 -173.32 -130.88 149.66 1.07 98.92 0.02 0.94 0.11 0.02 0.01 0.01 0.00 98.64 0.28 45 K E E 47.47 16.90 15.41 32.05 119.72 -165.07 -126.28 121.78 3.06 96.81 0.14 1.49 0.96 0.81 0.03 0.11 0.00 95.94 0.67 46 D C T 98.78 5.28 16.31 22.76 97.69 -32.05 51.85 38.89 99.69 0.12 0.19 0.25 3.03 96.46 0.00 0.16 0.00 0.07 0.01 47 D C T 124.07 2.12 14.92 17.91 93.97 -41.44 54.88 12.24 99.76 0.09 0.15 0.34 3.77 95.68 0.01 0.13 0.00 0.06 0.01 48 Q E E 109.51 3.07 16.40 20.97 122.83 105.74 -110.76 138.54 2.82 97.17 0.01 1.58 1.18 0.07 0.01 0.01 0.00 95.76 1.39 49 L E E 90.45 9.42 15.95 26.40 113.62 -113.37 -71.08 137.78 4.97 95.02 0.01 4.71 0.21 0.01 0.00 0.00 0.00 93.84 1.22 50 L C C 15.89 22.63 10.32 32.56 114.41 -116.58 -75.95 138.35 87.28 12.70 0.02 86.48 0.91 0.07 0.00 0.01 0.00 12.14 0.40 51 D C C 86.05 4.19 22.98 26.84 109.76 -141.86 -95.81 114.74 99.16 0.79 0.05 98.24 0.90 0.17 0.01 0.02 0.00 0.37 0.28 52 D C T 72.74 14.90 12.83 27.39 93.50 -146.88 -67.33 -15.46 99.51 0.20 0.29 0.99 3.88 94.69 0.03 0.21 0.00 0.11 0.07 53 G C T 54.86 2.50 18.98 21.71 92.96 59.46 -85.91 -3.77 99.68 0.12 0.20 1.15 3.36 95.20 0.02 0.17 0.00 0.08 0.02 54 K C C 75.93 9.78 16.47 27.43 121.37 101.28 -86.03 150.41 97.96 1.95 0.09 68.57 29.27 0.37 0.02 0.07 0.00 0.87 0.82 55 T E B 34.09 10.89 21.61 33.22 122.04 -119.25 -84.68 159.62 13.79 86.10 0.10 8.78 0.42 0.01 0.09 0.01 0.00 5.36 85.33 56 L H G 5.43 25.75 14.48 41.13 90.41 -111.89 -58.67 -37.98 41.67 0.82 57.50 1.72 3.26 37.34 12.00 44.54 0.10 0.47 0.57 57 G H G 30.42 12.17 18.74 31.10 90.95 59.40 -64.11 -34.36 27.39 0.11 72.50 0.58 1.32 26.20 13.67 58.11 0.01 0.06 0.05 58 E H G 131.47 2.93 21.65 24.86 91.03 56.47 -69.52 -23.34 21.56 0.12 78.31 0.69 1.51 19.57 15.95 62.14 0.02 0.06 0.06 59 C H T 29.94 16.67 15.25 32.07 95.58 54.01 -93.41 0.30 45.28 0.27 54.44 1.02 3.33 41.22 13.53 40.45 0.05 0.12 0.27 60 G C T 41.72 5.27 23.29 29.10 98.39 -99.81 91.08 9.78 98.45 0.20 1.36 7.49 3.61 87.65 0.45 0.61 0.00 0.11 0.08 61 F C C 12.67 24.40 11.74 36.00 114.10 142.30 -83.78 128.83 95.28 3.96 0.77 90.80 3.35 0.92 0.33 0.30 0.00 1.43 2.87 62 T C C 57.62 6.98 22.93 30.04 130.29 169.63 -124.42 160.26 90.99 6.97 2.04 81.59 6.27 2.26 1.03 0.87 0.00 2.55 5.43 63 S C T 45.43 15.45 14.48 29.15 95.65 -114.85 -68.11 -28.05 65.45 6.65 27.90 21.35 17.61 28.39 9.08 16.31 0.23 2.83 4.21 64 Q C T 132.69 2.69 18.43 21.56 93.86 60.39 -74.01 -17.39 71.82 1.82 26.36 10.70 16.34 44.96 9.08 16.59 0.06 0.93 1.34 65 T C T 72.09 7.33 16.81 24.82 99.86 46.35 -96.90 -10.78 71.80 3.81 24.38 14.39 17.49 40.49 9.27 13.91 0.16 1.93 2.37 66 A C C 24.97 18.53 10.40 27.80 117.75 87.12 -93.38 138.52 82.11 8.17 9.72 38.30 34.51 9.40 5.25 3.79 0.04 2.89 5.81 67 R C C 135.77 4.42 18.19 23.49 117.35 -122.71 -87.56 143.80 89.87 6.56 3.57 51.76 29.36 8.41 0.98 2.65 0.00 2.85 3.99 68 P C T 86.88 7.51 14.77 23.22 102.04 -77.37 -66.56 35.52 93.87 1.63 4.50 15.42 21.47 56.46 0.49 4.52 0.00 0.96 0.68 69 Q C T 111.92 6.19 17.54 24.41 98.91 54.20 -87.10 4.97 91.63 3.71 4.66 23.72 20.57 47.35 0.60 4.33 0.00 2.14 1.30 70 A C C 35.45 13.38 16.17 30.02 118.01 116.05 -95.34 138.07 95.07 4.47 0.46 53.76 40.57 1.14 0.13 0.33 0.00 2.10 1.97 71 P C C 46.69 13.82 20.04 33.56 112.03 -110.67 -70.25 148.76 95.16 3.77 1.07 75.04 14.99 5.01 0.20 1.01 0.00 2.80 0.94 72 A C C 17.66 20.21 18.98 38.25 116.64 -130.82 -85.30 144.61 71.88 26.94 1.18 57.50 10.08 3.32 0.20 1.12 0.00 26.24 1.53 73 T E E 44.38 13.37 25.79 38.95 121.27 -140.67 -108.40 134.75 20.84 78.67 0.49 17.69 3.09 0.61 0.14 0.33 0.00 76.45 1.69 74 V E E 6.51 24.91 20.27 45.16 122.79 -163.31 -116.56 132.59 6.30 93.56 0.13 5.75 0.65 0.13 0.05 0.07 0.00 92.70 0.65 75 G E E 7.85 17.17 26.87 43.65 129.92 -171.30 -121.34 155.46 4.85 95.08 0.07 4.10 0.70 0.10 0.02 0.03 0.00 94.93 0.13 76 L E E 8.73 23.53 23.45 46.62 120.98 -143.04 -108.29 133.90 3.87 96.00 0.14 3.62 0.21 0.04 0.06 0.03 0.00 95.89 0.15 77 A E E 9.04 18.88 22.96 41.83 128.08 -169.46 -122.64 142.34 4.96 94.87 0.17 4.59 0.26 0.06 0.08 0.04 0.00 94.74 0.22 78 F E E 29.28 16.40 20.27 37.07 126.49 -164.85 -120.24 145.29 4.68 95.18 0.14 3.92 0.55 0.11 0.05 0.06 0.00 94.95 0.36 79 R E E 97.46 10.95 16.43 28.08 114.16 -130.45 -91.96 127.18 13.66 86.06 0.28 11.11 2.12 0.57 0.06 0.18 0.00 85.44 0.52 80 A E E 46.00 9.33 10.92 21.56 120.88 175.47 -122.25 131.06 30.36 68.80 0.84 18.64 9.08 4.81 0.14 0.74 0.00 65.41 1.19 81 D C T 126.24 1.07 13.31 14.02 99.25 -21.26 43.26 6.73 98.35 0.88 0.77 5.57 22.98 69.70 0.05 0.86 0.00 0.70 0.15 82 D C T 130.30 1.26 11.89 13.66 96.75 -40.61 25.28 9.96 98.52 0.70 0.78 5.09 27.49 65.87 0.04 0.85 0.00 0.53 0.13 83 T E E 81.73 2.83 14.22 18.48 127.18 89.95 -119.70 149.33 30.02 69.74 0.24 18.10 12.68 1.67 0.06 0.20 0.00 65.57 1.71 84 F E E 78.33 14.90 9.76 24.44 117.22 -129.02 -94.20 133.24 17.83 82.02 0.16 15.40 2.08 0.37 0.05 0.10 0.00 80.62 1.37 85 E E E 82.90 7.18 18.51 26.81 123.79 -167.73 -115.69 143.20 23.57 76.24 0.19 21.04 1.86 0.31 0.06 0.12 0.00 75.79 0.82 86 A E E 58.16 9.53 18.49 28.47 115.69 -106.94 -71.07 143.16 34.67 64.96 0.37 31.11 2.48 0.48 0.12 0.23 0.00 64.53 1.06 87 L C E 22.58 21.67 12.80 34.06 115.31 -122.11 -85.46 134.72 51.10 48.56 0.34 47.04 2.42 0.48 0.09 0.23 0.00 48.94 0.81 88 C E E 67.99 6.42 23.53 30.37 118.59 -152.29 -107.89 130.65 31.76 68.01 0.22 29.33 1.74 0.33 0.08 0.15 0.00 66.23 2.15 89 I E E 31.53 21.52 12.64 33.34 118.65 -160.81 -107.95 126.82 36.81 62.99 0.20 33.11 2.71 0.31 0.08 0.14 0.00 58.89 4.77 90 E C C 101.01 5.16 20.41 26.31 121.18 -167.36 -114.23 135.74 64.04 35.75 0.21 57.26 4.85 0.49 0.05 0.18 0.00 35.81 1.38 91 P C C 72.13 10.04 15.47 26.02 112.80 -104.23 -67.12 145.62 72.21 22.73 5.07 56.86 7.90 6.49 0.73 4.96 0.00 21.24 1.82 92 F C C 99.08 11.71 12.61 24.52 106.22 -132.53 -85.81 88.12 88.16 4.75 7.09 45.13 20.11 22.40 0.69 7.36 0.00 3.07 1.24 93 S C C 66.58 6.20 13.12 20.56 112.36 79.16 -97.85 121.50 90.86 3.33 5.81 39.21 32.51 18.56 0.58 6.03 0.00 1.87 1.24 94 S C S 80.45 3.24 13.90 18.63 116.64 -111.82 -100.45 130.07 97.47 2.15 0.38 42.31 54.29 1.14 0.09 0.25 0.00 0.92 1.00 95 P C C 74.58 8.75 10.68 20.64 116.07 -106.60 -69.42 150.09 99.01 0.62 0.38 88.62 9.47 0.98 0.11 0.22 0.00 0.30 0.29 96 P C C 74.16 6.98 11.51 20.17 114.33 -103.99 -66.89 151.24 96.51 1.01 2.48 84.77 6.54 5.17 0.64 1.82 0.00 0.51 0.56 97 E C C 150.28 1.85 13.90 16.70 111.40 -107.60 -80.12 129.22 91.05 5.26 3.69 72.16 12.88 5.05 1.42 2.33 0.00 2.07 4.09 98 L C C 80.04 10.84 8.06 19.24 117.59 -137.03 -91.76 141.34 89.32 2.15 8.53 72.15 13.71 3.70 3.88 4.28 0.00 1.06 1.21 99 P C C 76.14 4.86 10.63 17.33 112.00 -105.33 -67.71 151.76 73.93 1.25 24.82 54.33 6.42 12.59 5.50 19.94 0.00 0.70 0.51 100 D C G 117.72 1.85 10.88 13.92 103.61 -112.80 -77.66 39.28 61.22 2.33 36.45 28.42 12.82 20.59 6.92 29.01 0.01 1.27 0.96 101 V C G 95.84 5.01 8.15 14.70 107.03 133.99 -87.61 67.54 55.12 6.94 37.93 26.72 12.22 18.02 7.66 28.82 0.06 4.14 2.35 102 M C C 125.70 3.83 7.23 12.73 109.35 114.17 -89.20 103.90 66.61 6.29 27.10 52.49 3.67 11.79 7.29 18.36 0.00 4.31 2.09 103 K C C 150.15 2.47 10.51 14.69 111.26 -142.15 -89.17 120.21 99.62 0.27 0.12 99.39 0.16 0.17 0.06 0.01 0.00 0.17 0.04