# 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 96.70 9.02 15.54 25.25 114.80 -157.81 -93.82 128.17 99.81 0.18 0.00 99.83 0.04 0.01 0.00 0.00 0.00 0.11 0.01 1 R C C 103.18 10.41 15.41 26.51 119.44 -157.89 -102.83 135.12 62.95 36.95 0.10 61.71 0.65 0.23 0.02 0.06 0.00 36.29 1.04 2 H E E 76.03 11.43 18.04 29.95 122.17 -154.13 -107.73 138.10 30.53 69.38 0.09 26.75 2.63 0.29 0.02 0.08 0.00 69.58 0.65 3 Y E E 23.88 19.59 17.03 36.70 128.95 -166.97 -125.66 145.48 9.91 90.06 0.03 9.18 0.51 0.04 0.01 0.01 0.00 90.01 0.24 4 E E E 46.86 13.76 24.19 38.02 122.46 -151.40 -114.98 134.19 4.08 95.91 0.01 3.67 0.25 0.02 0.00 0.00 0.00 96.00 0.05 5 I E E 7.54 23.22 21.37 44.53 123.35 -165.66 -118.70 132.62 2.04 97.95 0.00 1.91 0.07 0.00 0.00 0.00 0.00 97.99 0.02 6 V E E 13.90 18.98 26.00 44.64 119.41 -161.49 -111.91 128.39 1.04 98.96 0.00 0.94 0.04 0.00 0.00 0.00 0.00 99.01 0.01 7 F E E 5.85 24.63 24.97 48.97 125.08 -169.48 -119.75 134.87 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.00 8 M E E 15.57 20.26 27.49 47.08 115.81 -155.77 -104.75 124.65 0.31 99.69 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.01 9 V E E 4.30 24.13 21.04 45.21 129.92 175.11 -128.37 147.98 4.39 95.61 0.00 4.38 0.10 0.00 0.00 0.00 0.00 95.18 0.33 10 H C C 43.93 12.35 22.42 35.42 111.65 -110.56 -76.89 133.69 91.52 8.46 0.02 91.26 0.61 0.02 0.00 0.01 0.00 7.96 0.13 11 P H G 44.55 14.81 15.31 30.58 92.96 -125.95 -60.68 -30.56 32.90 0.66 66.44 5.47 4.21 21.33 3.55 64.85 0.00 0.47 0.11 12 D H G 112.84 1.84 19.99 21.35 91.80 62.13 -75.10 -10.84 36.46 0.33 63.21 4.40 4.37 24.91 3.86 62.17 0.00 0.19 0.09 13 Q H G 56.85 12.98 12.76 26.30 99.09 57.37 -101.84 11.23 41.88 0.52 57.60 21.62 7.02 9.60 4.23 57.09 0.00 0.28 0.16 14 S H G 50.73 13.48 12.34 25.67 94.09 117.24 -62.34 -37.26 37.62 0.36 62.02 16.16 5.51 14.90 9.19 53.92 0.00 0.18 0.14 15 E H G 156.71 1.01 18.21 17.61 92.23 58.27 -71.61 -23.21 38.41 0.16 61.43 3.73 4.57 27.93 8.84 54.75 0.00 0.08 0.09 16 Q H G 94.54 7.36 16.54 24.66 97.18 49.11 -90.29 -11.07 34.58 0.17 65.25 6.03 4.00 22.88 15.28 51.61 0.00 0.09 0.09 17 V H H 13.04 22.93 11.68 33.63 93.79 79.77 -65.00 -42.60 6.23 0.02 93.75 2.92 1.48 1.80 92.74 1.04 0.00 0.00 0.01 18 P H H 72.84 6.62 20.16 27.47 91.96 53.49 -62.05 -40.30 2.66 0.01 97.33 0.55 0.17 1.66 96.21 1.40 0.00 0.00 0.00 19 G H H 33.85 2.86 22.40 24.54 91.98 50.08 -63.45 -40.36 1.77 0.01 98.22 0.37 0.13 1.11 96.84 1.54 0.00 0.01 0.00 20 M H H 20.75 17.52 18.81 36.40 92.11 51.29 -64.77 -42.81 0.61 0.00 99.38 0.19 0.05 0.29 99.10 0.37 0.00 0.00 0.00 21 I H H 14.74 22.12 17.83 39.46 91.57 50.56 -63.29 -42.77 0.19 0.00 99.81 0.04 0.01 0.08 99.83 0.04 0.00 0.00 0.00 22 E H H 118.08 3.15 23.72 27.01 91.39 50.96 -63.59 -40.98 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 23 R H H 116.27 5.34 23.37 28.98 91.76 49.39 -64.75 -41.84 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 24 Y H H 7.98 24.25 18.65 42.64 91.93 47.92 -64.55 -42.53 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.01 0.00 0.00 0.00 25 T H H 33.57 17.30 20.43 36.78 91.54 52.11 -62.39 -41.99 0.26 0.00 99.74 0.03 0.01 0.14 99.81 0.01 0.00 0.00 0.00 26 A H H 60.64 2.30 25.31 25.96 91.35 51.34 -63.76 -41.61 0.70 0.00 99.30 0.08 0.03 0.44 99.39 0.06 0.00 0.00 0.00 27 A H H 23.06 12.09 20.71 33.64 91.78 50.18 -65.05 -42.54 1.10 0.01 98.89 0.14 0.09 0.73 98.93 0.11 0.00 0.00 0.00 28 I H H 3.72 25.66 14.40 40.41 92.11 48.67 -65.63 -41.87 2.17 0.07 97.76 0.43 0.25 1.41 97.59 0.25 0.01 0.03 0.02 29 T H H 77.69 7.57 19.60 27.80 92.61 50.95 -64.63 -39.79 4.69 0.08 95.22 0.73 0.39 3.42 94.83 0.54 0.01 0.04 0.03 30 G H H 56.82 1.45 20.54 20.94 92.18 52.86 -67.36 -27.07 17.36 0.07 82.57 0.61 0.86 16.09 81.62 0.73 0.04 0.03 0.04 31 A C T 29.66 14.91 13.87 29.03 96.37 51.30 -90.47 1.68 83.28 0.08 16.65 0.48 2.90 79.12 16.50 0.89 0.00 0.02 0.07 32 E C T 139.57 2.56 22.43 24.99 95.66 -105.63 67.67 29.26 91.37 0.12 8.51 1.42 3.63 85.94 8.42 0.47 0.00 0.06 0.05 33 G C C 9.59 21.75 10.38 30.90 125.73 138.42 -91.97 166.49 85.18 14.71 0.11 76.30 6.26 0.63 0.02 0.08 0.00 16.41 0.30 34 K E E 114.44 3.55 25.04 28.95 124.61 -136.19 -122.54 140.70 12.35 87.59 0.06 11.54 0.63 0.07 0.02 0.03 0.00 87.33 0.37 35 I E E 48.35 20.29 12.85 32.36 110.85 -121.95 -82.08 122.19 1.13 98.86 0.01 1.12 0.03 0.00 0.00 0.00 0.00 98.80 0.05 36 H E E 95.98 5.97 19.19 26.28 101.87 176.31 -92.63 -36.03 2.43 97.55 0.02 1.65 0.44 0.04 0.00 0.01 0.00 97.85 0.01 37 R E E 115.12 4.22 22.56 27.51 138.47 -3.31 -154.04 149.99 1.45 98.54 0.01 0.99 0.22 0.02 0.00 0.00 0.00 98.76 0.01 38 L E E 56.77 20.47 11.53 30.39 121.97 -159.96 -125.28 127.58 1.43 98.55 0.02 1.23 0.07 0.01 0.00 0.01 0.00 98.67 0.02 39 E E E 94.66 5.37 20.16 26.35 123.27 -174.94 -119.54 138.67 4.30 95.67 0.03 3.26 0.63 0.06 0.00 0.02 0.00 95.98 0.04 40 D E E 90.14 7.22 16.64 25.10 109.98 -124.22 -83.98 119.83 9.80 90.15 0.05 8.04 0.95 0.10 0.01 0.03 0.00 90.81 0.06 41 W E E 97.56 13.06 13.12 26.56 101.28 172.71 -102.90 -1.11 12.69 87.15 0.16 10.60 1.30 0.28 0.04 0.08 0.00 87.55 0.15 42 G E E 28.04 4.57 19.15 24.69 131.09 -116.10 109.39 -169.70 7.09 92.78 0.12 4.13 2.40 0.47 0.03 0.07 0.00 92.80 0.10 43 R E E 140.18 7.42 15.20 24.16 118.37 -44.26 -96.67 134.42 3.07 96.83 0.10 2.53 0.31 0.07 0.04 0.03 0.00 96.96 0.05 44 R E E 90.81 10.20 14.52 26.08 130.00 -176.79 -133.72 146.73 1.79 98.11 0.11 1.56 0.13 0.04 0.05 0.03 0.00 98.12 0.07 45 Q E E 121.04 3.71 17.36 22.51 114.43 -119.75 -86.45 132.37 3.50 96.40 0.10 3.23 0.20 0.05 0.05 0.03 0.00 96.26 0.18 46 L E E 37.21 17.27 8.68 25.20 113.98 -133.49 -83.47 134.45 40.15 59.65 0.21 37.38 1.58 0.19 0.08 0.09 0.00 60.22 0.47 47 A C S 78.56 2.72 15.83 19.31 95.37 -147.23 -73.54 -26.39 76.61 23.29 0.10 21.30 52.03 1.91 0.01 0.09 0.00 24.30 0.37 48 Y C S 123.93 3.97 14.28 19.58 125.68 37.47 -125.84 142.24 75.89 24.01 0.10 7.94 65.30 2.09 0.01 0.08 0.00 24.04 0.55 49 P C C 87.45 4.94 13.06 19.62 113.89 -102.49 -66.29 141.08 71.49 27.93 0.58 61.71 6.86 1.62 0.12 0.48 0.00 27.41 1.79 50 I C C 61.82 12.08 8.47 20.89 118.73 -170.32 -120.60 124.62 65.01 32.70 2.29 50.81 9.33 3.95 0.87 1.62 0.01 20.79 12.62 51 N C T 130.15 1.68 13.96 16.05 98.33 -23.74 52.12 27.20 92.89 3.08 4.03 15.50 36.56 41.05 0.41 3.58 0.00 2.23 0.68 52 K C T 158.93 2.02 14.61 17.21 97.89 -38.93 29.93 11.94 91.63 4.75 3.63 13.58 38.43 39.94 0.29 3.42 0.00 3.54 0.80 53 L E E 59.04 11.63 11.13 23.75 118.63 107.73 -106.13 130.13 45.06 54.05 0.89 35.99 6.53 2.34 0.19 0.79 0.00 51.05 3.11 54 H E E 86.37 8.86 16.73 26.63 105.16 -173.21 -99.46 -15.87 35.50 64.35 0.15 23.62 10.39 1.31 0.03 0.13 0.00 63.95 0.58 55 K E E 85.81 9.00 21.39 30.64 129.10 10.60 -132.18 140.90 12.00 87.91 0.10 8.30 3.01 0.73 0.01 0.08 0.00 87.57 0.29 56 A E E 8.70 21.04 16.09 37.15 133.82 -175.24 -137.27 154.72 5.65 94.31 0.04 4.75 0.69 0.10 0.01 0.03 0.00 94.30 0.10 57 H E E 34.26 13.60 23.00 37.45 123.07 -146.10 -113.36 137.53 1.54 98.42 0.04 1.37 0.19 0.03 0.02 0.02 0.00 98.33 0.05 58 Y E E 32.22 18.01 21.21 39.05 121.32 -158.20 -111.25 131.19 0.25 99.74 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.75 0.01 59 V E E 13.46 18.32 21.58 40.41 121.73 -166.62 -117.52 130.60 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 60 L E E 29.62 15.20 23.56 39.02 119.02 -162.69 -111.18 126.86 0.19 99.80 0.01 0.17 0.01 0.00 0.00 0.00 0.00 99.82 0.00 61 M E E 16.57 20.15 20.70 40.82 123.07 -169.57 -117.99 134.40 0.36 99.63 0.01 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.00 62 N E E 46.31 12.06 24.96 37.29 118.11 -159.15 -107.57 127.30 0.43 99.57 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.00 63 V E E 9.67 22.45 17.59 40.15 127.53 -173.79 -127.39 140.67 0.66 99.33 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.34 0.03 64 E E E 86.63 8.40 25.36 34.18 116.62 -149.75 -106.97 124.39 5.68 94.31 0.02 4.67 0.78 0.05 0.00 0.01 0.00 94.30 0.20 65 A C E 10.89 19.77 15.30 35.28 138.64 149.99 -148.39 162.26 50.30 49.65 0.06 39.81 9.44 0.15 0.02 0.03 0.00 50.16 0.39 66 P C C 51.50 6.18 20.67 27.79 113.09 -89.11 -64.41 146.80 79.97 19.65 0.38 76.68 2.37 0.25 0.25 0.10 0.00 19.73 0.63 67 Q H H 102.27 9.17 14.51 24.79 91.75 -113.77 -58.59 -36.11 9.30 0.09 90.61 2.07 1.93 5.30 86.12 4.46 0.03 0.04 0.04 68 E H H 130.29 1.51 20.23 20.38 91.29 58.00 -64.89 -35.92 5.78 0.07 94.15 1.35 0.81 3.46 89.56 4.73 0.03 0.05 0.02 69 V H H 25.33 13.93 16.42 31.24 92.65 48.98 -69.36 -39.67 2.96 0.07 96.97 1.14 0.40 1.45 92.49 4.43 0.00 0.05 0.01 70 I H H 17.31 20.66 14.63 35.04 91.66 53.81 -62.50 -43.48 1.36 0.02 98.62 0.50 0.16 0.65 97.28 1.39 0.00 0.01 0.00 71 D H H 84.75 2.98 22.08 24.62 91.60 51.18 -63.96 -40.32 1.86 0.01 98.12 0.48 0.16 1.10 97.19 1.05 0.00 0.01 0.00 72 E H H 94.86 4.24 21.24 25.58 91.81 49.85 -65.16 -40.73 2.33 0.01 97.66 0.41 0.18 1.57 96.81 1.01 0.00 0.01 0.00 73 L H H 8.86 22.16 15.09 37.40 92.31 50.50 -64.92 -42.47 3.06 0.03 96.91 0.76 0.31 1.86 95.44 1.60 0.00 0.02 0.01 74 E H H 73.75 13.28 18.21 31.16 91.67 52.79 -62.73 -40.47 6.58 0.06 93.35 1.49 0.59 4.23 91.31 2.31 0.01 0.04 0.02 75 T H H 84.42 1.89 21.34 21.58 92.58 49.75 -66.84 -38.17 15.30 0.11 84.58 2.08 1.37 11.58 81.16 3.66 0.04 0.06 0.05 76 T H H 50.08 9.50 17.90 28.25 93.64 48.84 -71.74 -35.58 22.97 0.27 76.76 3.73 2.65 16.51 72.82 3.95 0.06 0.14 0.13 77 F H H 24.79 20.40 12.43 32.13 97.65 49.80 -85.77 -17.73 43.37 3.81 52.82 19.68 6.80 18.29 45.59 5.92 0.13 2.22 1.37 78 R C H 127.89 7.20 16.92 25.07 94.91 78.58 -69.05 -28.29 60.84 5.68 33.48 28.42 6.54 24.36 30.47 4.78 0.06 3.70 1.67 79 F C C 126.44 5.42 15.66 21.89 98.90 54.63 -86.88 -6.24 66.76 5.28 27.96 27.57 13.03 25.88 23.38 5.26 0.09 3.05 1.72 80 N C C 67.13 9.49 13.59 24.08 112.45 77.22 -99.52 113.24 79.97 2.61 17.42 53.28 17.95 7.19 16.70 2.51 0.00 1.41 0.95 81 D H H 91.02 7.53 14.48 23.13 95.38 -150.41 -66.06 -21.16 36.04 1.04 62.92 11.11 7.91 17.48 54.61 7.78 0.10 0.65 0.37 82 A H H 55.37 5.85 16.16 23.17 94.28 67.87 -68.22 -33.64 27.25 2.25 70.50 8.56 4.76 14.25 61.19 8.75 0.13 1.89 0.48 83 V H H 37.40 13.06 14.99 28.65 95.03 53.10 -69.69 -40.28 19.13 8.55 72.32 8.66 3.58 7.65 61.55 9.05 0.17 8.39 0.94 84 I H H 45.80 15.13 15.07 30.16 95.47 51.77 -69.08 -36.20 16.26 14.42 69.32 8.90 2.91 5.26 59.60 8.01 0.14 13.94 1.24 85 R H H 125.91 7.03 17.03 24.96 94.05 62.42 -66.86 -30.84 19.63 13.04 67.34 9.02 3.08 7.76 52.67 13.55 0.20 12.74 0.98 86 S H H 61.36 6.81 16.83 24.54 96.18 58.35 -79.51 -18.77 31.40 7.41 61.18 9.04 4.26 16.81 47.44 14.38 0.21 7.09 0.77 87 M H H 69.93 12.93 15.26 28.18 100.28 58.78 -91.97 -5.56 37.41 13.77 48.81 13.58 6.04 17.41 37.24 11.72 0.33 12.19 1.49 88 V E E 55.60 14.11 13.87 28.08 113.18 92.68 -95.28 123.73 30.94 42.80 26.26 21.00 4.74 4.58 25.31 3.33 0.07 36.80 4.17 89 M E E 88.25 9.24 15.40 25.56 113.65 -166.08 -98.31 129.37 34.40 41.90 23.69 25.44 3.83 3.26 23.03 2.65 0.02 39.21 2.56 90 R C E 134.25 6.86 16.05 24.04 113.19 -141.44 -91.93 125.35 42.46 34.04 23.49 31.28 4.64 3.88 22.00 2.82 0.03 33.56 1.79 91 T C C 54.01 12.44 12.17 24.85 115.02 -155.90 -98.70 129.09 55.42 14.36 30.22 41.05 6.87 6.07 26.20 4.98 0.02 13.47 1.34 92 K C H 129.95 5.02 15.36 21.61 101.87 -160.83 -79.03 -12.94 55.16 6.50 38.34 29.82 12.40 13.12 30.97 7.41 0.08 5.01 1.18 93 H C H 113.88 5.98 14.94 21.90 104.58 50.36 -88.31 18.04 56.18 4.96 38.86 30.09 11.83 14.55 30.76 8.02 0.08 3.51 1.15 94 A C C 47.03 10.60 12.92 24.30 107.60 82.58 -80.40 120.07 56.51 6.26 37.23 39.74 8.49 8.16 30.36 7.32 0.03 4.56 1.35 95 V C C 68.85 10.50 12.15 23.31 109.39 65.32 -88.15 108.73 58.58 8.48 32.94 40.96 9.21 8.04 28.07 5.61 0.03 6.27 1.81 96 T C C 85.55 5.11 13.12 19.58 108.76 67.22 -90.18 61.64 63.95 8.54 27.51 42.96 11.10 9.04 23.96 4.76 0.04 6.21 1.93 97 E C C 122.05 4.67 11.18 17.46 108.37 76.76 -85.71 113.73 73.46 6.14 20.40 49.50 14.06 8.78 18.12 3.74 0.01 4.20 1.59 98 A C C 73.55 5.24 9.27 16.20 106.06 -114.46 -80.10 72.40 85.31 2.49 12.19 75.47 2.05 7.81 10.26 1.96 0.00 1.55 0.89 99 S C C 84.83 2.90 12.18 16.55 106.91 -132.05 -88.73 51.00 99.88 0.05 0.08 99.71 0.10 0.12 0.04 0.01 0.00 0.02 0.01