# 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 R C C 111.90 10.49 18.06 28.59 116.04 -166.17 -99.82 126.32 99.75 0.24 0.00 99.77 0.06 0.01 0.00 0.00 0.00 0.16 0.01 1 H E E 76.08 11.78 18.31 30.37 121.24 -159.73 -109.14 136.40 48.70 51.25 0.05 47.94 0.52 0.12 0.01 0.03 0.00 50.45 0.94 2 Y E E 29.98 18.76 16.83 35.67 128.88 -170.41 -123.57 145.48 13.68 86.30 0.02 12.71 0.68 0.05 0.00 0.01 0.00 86.19 0.36 3 E E E 40.53 14.54 23.62 38.27 123.67 -156.66 -115.01 136.42 3.76 96.23 0.01 3.48 0.17 0.01 0.00 0.00 0.00 96.28 0.05 4 I E E 8.29 23.00 22.16 45.00 121.37 -160.09 -114.67 130.41 1.63 98.36 0.00 1.55 0.04 0.00 0.00 0.00 0.00 98.39 0.02 5 V E E 11.07 20.29 26.14 45.83 120.37 -163.85 -114.05 129.48 0.69 99.31 0.00 0.62 0.03 0.00 0.00 0.00 0.00 99.34 0.00 6 F E E 5.53 24.79 25.82 49.86 124.66 -169.45 -118.62 133.49 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 7 L E E 9.74 21.96 27.76 48.88 116.06 -156.50 -103.81 124.69 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.01 8 V E E 4.38 24.09 21.83 45.81 131.38 170.91 -130.93 149.82 3.85 96.15 0.00 3.81 0.10 0.00 0.00 0.00 0.00 95.83 0.25 9 H C C 41.37 13.39 22.07 35.92 111.73 -109.59 -76.88 134.27 89.94 10.04 0.02 89.29 0.77 0.03 0.00 0.01 0.00 9.76 0.14 10 P H G 48.62 13.98 15.70 30.21 93.34 -124.29 -61.36 -30.20 36.07 0.95 62.98 8.22 5.10 21.50 4.36 59.97 0.00 0.68 0.17 11 D H G 112.41 1.91 19.86 21.42 92.58 61.56 -76.15 -10.88 39.28 0.44 60.28 6.38 5.52 25.06 4.77 57.88 0.00 0.25 0.14 12 Q H G 54.47 13.62 12.44 26.44 99.50 57.40 -100.94 13.83 44.30 0.58 55.11 24.60 7.33 9.65 5.39 52.54 0.00 0.31 0.19 13 S H G 53.95 12.44 12.65 25.22 94.08 117.92 -61.86 -37.04 34.37 0.36 65.27 16.95 5.28 11.48 17.01 48.93 0.00 0.18 0.16 14 E H G 157.37 0.91 18.11 17.30 92.14 56.84 -69.81 -25.17 32.87 0.23 66.91 4.85 4.66 21.58 18.44 50.21 0.01 0.11 0.14 15 Q H G 89.79 8.11 16.10 25.01 97.82 48.26 -91.00 -11.55 29.88 0.23 69.89 6.90 3.44 17.84 24.33 47.26 0.01 0.12 0.11 16 V H H 18.13 21.94 12.25 33.32 93.19 82.07 -62.12 -43.49 5.05 0.03 94.93 2.18 0.93 1.88 93.75 1.24 0.00 0.01 0.01 17 G H H 37.90 5.99 20.71 27.32 92.25 51.56 -62.32 -41.09 3.41 0.02 96.58 0.73 0.26 2.18 95.46 1.36 0.00 0.01 0.00 18 G H H 32.80 3.18 22.51 25.23 92.02 50.22 -64.57 -40.88 2.41 0.02 97.57 0.57 0.21 1.49 96.47 1.26 0.00 0.01 0.00 19 M H H 18.48 18.56 18.90 37.37 92.03 51.10 -64.65 -43.16 0.93 0.01 99.06 0.30 0.10 0.42 98.84 0.33 0.00 0.00 0.00 20 V H H 14.97 21.23 18.77 39.53 91.43 50.43 -63.10 -42.87 0.31 0.00 99.68 0.07 0.02 0.15 99.71 0.05 0.00 0.00 0.00 21 E H H 111.44 3.13 24.65 27.49 91.34 50.85 -63.47 -41.44 0.14 0.00 99.86 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 22 R H H 103.65 6.91 23.65 30.82 91.72 49.58 -64.51 -42.04 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 23 Y H H 5.98 25.11 18.93 43.88 91.77 49.12 -64.56 -42.89 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 24 T H H 31.61 16.11 21.01 36.60 91.36 51.61 -62.40 -42.12 0.12 0.00 99.88 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 25 K H H 115.78 2.02 26.03 26.26 91.76 50.63 -64.27 -41.49 0.23 0.00 99.77 0.02 0.01 0.14 99.82 0.02 0.00 0.00 0.00 26 A H H 14.72 12.62 20.09 34.10 91.57 50.58 -64.02 -43.07 0.31 0.00 99.69 0.03 0.02 0.19 99.73 0.03 0.00 0.00 0.00 27 I H H 3.82 25.30 13.89 39.60 91.71 49.42 -64.03 -43.13 0.58 0.01 99.41 0.08 0.04 0.37 99.42 0.09 0.00 0.00 0.00 28 E H H 113.38 6.21 18.71 26.12 91.92 50.51 -63.41 -40.88 1.22 0.00 98.77 0.14 0.06 0.90 98.63 0.26 0.00 0.00 0.00 29 E H H 147.49 1.29 19.56 19.82 90.95 52.88 -65.74 -27.83 8.71 0.01 91.28 0.15 0.21 8.71 90.57 0.35 0.01 0.00 0.00 30 D C T 55.22 12.06 14.20 27.11 94.96 48.95 -93.09 4.77 81.70 0.02 18.28 0.24 0.96 79.88 18.42 0.47 0.00 0.00 0.02 31 G C T 47.02 3.03 22.14 25.02 97.92 -98.42 90.39 9.57 99.79 0.02 0.19 0.84 1.54 97.50 0.08 0.02 0.00 0.01 0.00 32 G C C 7.91 22.36 10.00 31.32 124.82 131.12 -87.45 162.05 91.52 8.46 0.02 87.44 3.24 0.14 0.00 0.01 0.00 9.01 0.14 33 K E E 112.69 3.51 25.13 29.00 126.20 -145.07 -125.67 142.21 12.90 87.08 0.02 12.22 0.51 0.03 0.01 0.01 0.00 86.90 0.32 34 I E E 50.43 19.99 13.17 32.42 110.30 -121.32 -80.99 122.49 1.16 98.83 0.00 1.19 0.02 0.00 0.00 0.00 0.00 98.74 0.04 35 H E E 94.37 6.32 18.97 26.49 101.20 176.48 -92.99 -34.58 2.16 97.84 0.01 1.46 0.39 0.03 0.00 0.00 0.00 98.11 0.01 36 R E E 109.53 4.61 22.29 27.77 139.20 -0.90 -155.21 149.91 1.14 98.85 0.01 0.79 0.14 0.01 0.00 0.00 0.00 99.05 0.01 37 L E E 59.80 19.93 11.97 30.43 124.42 -163.22 -130.67 128.71 1.11 98.89 0.00 0.95 0.05 0.00 0.00 0.00 0.00 98.98 0.01 38 E E E 88.67 5.85 20.00 26.81 124.58 -174.56 -125.13 137.99 3.13 96.86 0.01 2.54 0.26 0.02 0.00 0.00 0.00 97.14 0.03 39 D E E 90.28 7.51 15.91 24.84 110.06 -124.48 -83.39 120.11 10.27 89.72 0.02 8.99 0.48 0.03 0.00 0.01 0.00 90.43 0.06 40 W E E 97.96 11.89 13.58 26.25 100.74 173.65 -101.24 -1.01 16.27 83.59 0.14 13.78 1.48 0.27 0.04 0.08 0.00 84.18 0.17 41 G E E 29.59 4.04 18.91 23.85 129.03 -122.29 97.03 -166.70 7.88 92.00 0.12 4.65 2.77 0.49 0.03 0.07 0.00 91.86 0.13 42 R E E 140.85 7.31 14.92 23.76 118.54 -39.98 -93.03 135.38 3.68 96.20 0.12 3.09 0.37 0.08 0.05 0.04 0.00 96.31 0.07 43 R E E 92.50 9.96 14.23 25.62 130.51 -177.27 -134.09 148.37 2.03 97.86 0.12 1.79 0.15 0.05 0.06 0.03 0.00 97.85 0.08 44 Q E E 121.95 3.62 16.92 22.01 114.12 -119.77 -86.23 131.12 3.31 96.57 0.11 3.05 0.18 0.05 0.07 0.03 0.00 96.45 0.17 45 L E E 43.50 16.39 8.53 24.25 113.81 -131.77 -85.10 135.48 33.64 66.05 0.30 31.44 1.20 0.19 0.12 0.11 0.00 66.52 0.41 46 A C E 81.82 2.42 15.73 18.81 95.68 -146.70 -74.93 -21.51 60.36 39.47 0.18 21.83 35.07 2.48 0.02 0.16 0.00 40.08 0.38 47 Y C E 124.89 3.80 14.72 19.75 128.54 36.54 -130.42 150.82 50.14 49.69 0.17 9.45 38.37 2.52 0.01 0.15 0.00 48.98 0.51 48 A E E 71.49 4.91 13.14 19.68 114.64 -102.82 -71.79 139.84 44.92 54.80 0.28 41.08 2.35 0.44 0.08 0.19 0.00 54.36 1.50 49 I E E 56.03 12.77 8.62 21.71 118.27 -171.52 -124.16 123.13 44.84 54.51 0.64 37.79 3.89 1.35 0.25 0.47 0.00 44.30 11.94 50 N C T 129.50 1.75 13.72 16.02 95.01 -16.88 54.15 39.41 96.10 2.74 1.16 13.34 32.47 50.42 0.13 1.06 0.00 2.17 0.40 51 N C T 127.41 2.19 14.31 17.35 96.25 -47.66 68.62 11.68 95.52 3.40 1.09 10.70 35.58 49.37 0.10 1.05 0.00 2.78 0.42 52 V E E 55.75 9.95 12.38 23.85 119.41 106.81 -108.25 130.21 27.37 72.41 0.22 21.04 4.94 1.17 0.05 0.20 0.00 70.17 2.42 53 H E E 71.24 11.03 15.92 27.95 119.00 -166.38 -109.65 133.73 18.31 81.63 0.06 13.69 3.47 0.61 0.01 0.06 0.00 81.70 0.46 54 K E E 82.09 9.76 21.50 31.47 125.30 -147.47 -121.35 137.33 10.82 89.13 0.05 8.19 2.01 0.44 0.01 0.05 0.00 89.02 0.28 55 A E E 8.58 20.87 16.35 37.27 133.95 -174.64 -136.78 154.78 6.29 93.69 0.02 5.40 0.62 0.07 0.00 0.02 0.00 93.79 0.10 56 H E E 33.38 13.71 22.84 37.43 121.99 -142.60 -112.22 135.38 2.00 97.97 0.02 1.73 0.28 0.03 0.01 0.01 0.00 97.88 0.05 57 Y E E 33.62 17.43 21.31 38.71 120.60 -159.04 -110.94 130.53 0.30 99.70 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.01 58 V E E 12.27 18.72 21.26 40.50 121.80 -167.30 -117.77 131.51 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 59 L E E 28.89 14.84 24.15 39.31 118.81 -161.83 -110.67 127.02 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 60 M E E 13.20 21.21 20.80 41.90 122.86 -169.25 -117.41 133.39 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.00 61 N E E 39.18 12.27 25.69 38.45 117.52 -158.26 -106.94 126.56 0.27 99.73 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 62 V E E 7.18 23.57 18.30 42.02 125.95 -171.96 -123.06 137.48 0.25 99.75 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.01 63 E E E 77.24 9.04 26.18 35.63 118.25 -154.70 -108.25 126.45 2.26 97.74 0.00 1.88 0.27 0.01 0.00 0.00 0.00 97.77 0.07 64 C E E 11.39 20.17 15.37 35.79 140.56 146.83 -153.15 165.74 29.35 70.61 0.04 24.68 3.88 0.12 0.01 0.02 0.00 70.82 0.47 65 S C C 43.89 5.64 21.29 27.38 117.11 -90.59 -70.55 156.99 85.38 14.52 0.11 83.21 1.81 0.10 0.05 0.03 0.00 14.39 0.40 66 A H H 65.85 7.63 15.65 24.65 91.41 -106.86 -58.53 -37.28 3.99 0.01 96.00 0.55 0.60 2.63 94.42 1.77 0.00 0.00 0.00 67 K H H 142.28 1.39 21.15 21.09 91.47 53.88 -64.60 -38.96 2.22 0.01 97.78 0.28 0.21 1.60 96.25 1.65 0.00 0.00 0.00 68 A H H 13.86 15.70 16.22 32.71 91.96 48.90 -66.58 -39.90 1.02 0.01 98.97 0.22 0.09 0.62 97.44 1.62 0.00 0.00 0.00 69 L H H 24.20 19.78 15.86 35.13 91.63 53.52 -62.45 -42.56 0.44 0.00 99.56 0.09 0.03 0.25 99.15 0.49 0.00 0.00 0.00 70 A H H 57.22 2.97 22.79 25.02 91.47 51.24 -63.48 -41.51 0.72 0.00 99.27 0.10 0.04 0.48 99.03 0.35 0.00 0.00 0.00 71 E H H 88.02 5.09 21.78 27.14 91.73 49.63 -65.15 -41.13 1.05 0.00 98.94 0.13 0.06 0.75 98.67 0.40 0.00 0.00 0.00 72 L H H 6.32 23.64 15.05 38.93 91.81 50.21 -64.07 -42.58 1.61 0.01 98.38 0.33 0.12 1.01 97.75 0.78 0.00 0.01 0.00 73 E H H 75.62 13.08 18.92 31.61 91.54 52.17 -62.77 -41.13 4.22 0.03 95.75 0.66 0.31 2.96 94.87 1.18 0.01 0.01 0.01 74 D H H 95.66 1.65 22.04 21.81 92.55 49.14 -66.62 -38.64 12.80 0.05 87.14 1.10 0.90 10.46 85.14 2.33 0.03 0.02 0.03 75 N H H 59.61 9.75 18.07 28.53 93.40 47.95 -71.56 -35.00 23.21 0.15 76.63 2.42 2.04 18.49 73.35 3.51 0.04 0.08 0.08 76 F H H 20.33 21.37 12.30 33.06 96.91 49.60 -86.10 -16.66 42.86 3.10 54.04 16.38 6.35 21.12 45.91 7.12 0.15 1.82 1.14 77 R C T 127.75 7.92 16.60 25.49 94.60 80.80 -67.91 -25.04 61.27 5.67 33.05 24.62 6.40 28.94 28.54 6.03 0.10 3.73 1.64 78 Y C T 151.76 3.95 16.33 20.96 98.00 54.23 -87.97 -0.78 68.21 6.32 25.47 25.45 12.66 30.03 19.30 6.66 0.12 3.83 1.95 79 N C C 59.82 11.51 11.76 24.08 115.05 93.27 -97.22 120.42 84.27 4.34 11.39 56.11 19.60 7.73 9.72 2.72 0.00 2.47 1.64 80 D C T 108.22 4.05 15.43 21.07 94.87 -151.52 -71.12 -15.37 57.62 1.60 40.78 12.51 12.59 31.76 28.54 12.86 0.12 1.01 0.62 81 A C H 47.83 9.47 15.45 25.96 94.45 71.10 -73.37 -18.53 51.45 5.18 43.37 12.15 9.23 28.65 30.77 13.53 0.28 4.32 1.06 82 V H H 30.44 18.65 13.20 31.20 106.48 69.79 -88.84 66.79 32.90 26.42 40.69 14.52 7.69 12.28 29.18 10.58 0.90 22.14 2.70 83 I E E 73.03 12.12 16.79 28.99 106.18 72.76 -90.29 72.71 26.12 41.96 31.92 16.02 5.08 5.36 27.55 5.29 0.19 38.06 2.44 84 R E E 123.52 8.22 18.46 27.09 111.44 56.03 -98.55 108.42 29.78 45.47 24.76 19.33 4.72 4.79 20.83 4.51 0.06 44.38 1.37 85 N E E 60.99 14.88 15.66 30.11 120.27 -138.06 -109.70 134.89 32.07 47.77 20.16 20.34 5.87 5.09 15.73 4.35 0.05 47.57 1.00 86 L E E 63.52 12.55 18.58 31.39 118.95 -165.33 -109.46 131.55 24.98 60.18 14.83 18.37 2.82 2.70 12.06 2.76 0.01 60.49 0.79 87 V E E 55.18 14.89 17.50 32.25 120.12 -161.09 -110.98 128.71 16.33 75.93 7.74 13.39 1.22 0.85 7.85 0.91 0.00 74.81 0.96 88 M E E 60.73 12.69 17.69 31.00 124.36 -171.44 -118.31 138.45 14.65 80.00 5.35 12.65 1.02 0.58 5.76 0.64 0.00 78.12 1.22 89 R E E 113.56 9.08 17.66 27.49 114.06 -130.89 -87.98 131.74 27.17 67.48 5.35 23.18 2.16 1.01 5.06 1.05 0.00 66.11 1.42 90 R C C 95.36 13.08 13.20 26.36 102.49 -137.89 -74.28 -24.61 60.86 10.66 28.47 43.53 9.51 6.86 23.04 6.13 0.02 9.85 1.05 91 D C H 102.10 3.88 16.45 21.17 96.56 61.60 -71.92 -23.51 53.38 2.76 43.87 28.15 12.58 12.86 33.20 10.60 0.04 1.84 0.71 92 E H H 107.39 5.19 16.42 22.35 97.94 57.15 -76.72 -26.11 46.97 2.16 50.86 26.27 9.94 11.26 38.83 11.67 0.04 1.34 0.65 93 A H H 33.79 12.16 13.79 26.65 98.52 65.05 -72.00 -29.19 47.45 2.34 50.21 32.98 7.20 7.83 41.48 8.37 0.01 1.46 0.65 94 V C H 48.64 13.73 13.24 27.00 100.92 66.16 -80.46 -7.01 50.64 3.06 46.31 37.68 7.11 6.13 41.70 4.69 0.01 1.83 0.85 95 T C H 80.61 5.90 16.26 22.96 100.95 70.60 -85.84 -20.40 54.09 2.78 43.12 38.66 7.98 7.03 40.20 3.72 0.01 1.59 0.82 96 E C H 115.71 4.01 15.75 20.70 110.83 65.54 -85.88 129.77 57.00 2.05 40.95 37.31 11.15 7.51 39.07 3.24 0.01 1.08 0.63 97 Q C C 97.27 7.93 14.09 22.97 108.03 -102.44 -78.47 118.41 60.45 1.50 38.05 43.85 7.59 6.82 37.93 2.54 0.00 0.76 0.51 98 S C C 37.67 10.04 11.49 22.82 111.59 -131.85 -82.92 139.93 59.92 0.79 39.30 47.52 6.08 4.28 39.67 1.82 0.00 0.34 0.28 99 E H H 120.33 2.78 15.52 18.89 94.11 -114.01 -64.63 -34.48 19.55 0.57 79.89 10.28 4.00 6.49 74.72 4.00 0.02 0.32 0.17 100 M H H 77.99 7.10 13.08 21.73 93.12 53.00 -67.42 -38.18 16.89 0.73 82.38 8.40 3.15 6.56 76.01 5.18 0.03 0.49 0.19 101 L H H 61.78 9.54 10.84 21.68 93.33 52.30 -67.94 -35.78 17.98 0.89 81.14 9.41 3.33 6.56 74.05 5.79 0.03 0.59 0.24 102 K H H 138.24 2.38 12.58 16.06 93.98 54.74 -70.41 -28.66 29.55 1.01 69.44 13.52 5.44 12.04 64.14 3.87 0.05 0.53 0.40 103 A C H 76.58 2.53 10.31 14.17 98.13 62.52 -77.82 -16.84 55.32 0.74 43.94 31.51 2.08 20.49 43.09 2.12 0.00 0.33 0.38 104 E C C 126.93 4.32 11.44 17.20 103.39 79.31 -81.30 13.56 99.85 0.03 0.13 99.59 0.11 0.17 0.11 0.00 0.00 0.01 0.00