# 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 81.04 11.49 17.17 28.73 114.32 -162.37 -94.56 130.27 99.88 0.11 0.00 99.87 0.05 0.01 0.00 0.00 0.00 0.07 0.00 1 A C C 39.24 11.42 17.74 29.72 124.35 -156.76 -111.23 146.69 65.14 34.78 0.08 64.04 0.58 0.16 0.02 0.04 0.00 34.45 0.71 2 V E E 20.37 19.89 15.34 35.02 123.23 -151.43 -113.99 136.25 13.90 86.07 0.03 12.58 0.88 0.06 0.01 0.02 0.00 86.14 0.31 3 K E E 76.93 9.37 24.30 33.96 120.41 -157.25 -110.47 131.43 3.90 96.10 0.01 3.45 0.32 0.02 0.00 0.00 0.00 96.14 0.06 4 I E E 10.26 24.20 16.90 41.28 120.23 -160.96 -111.14 129.76 1.34 98.66 0.00 1.25 0.04 0.00 0.00 0.00 0.00 98.69 0.02 5 R E E 73.47 9.80 25.84 36.00 124.59 -170.76 -121.27 138.42 0.64 99.36 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.39 0.01 6 L E E 18.29 23.15 16.52 39.24 121.60 -157.62 -110.32 134.70 0.76 99.24 0.00 0.69 0.01 0.00 0.00 0.00 0.00 99.29 0.01 7 K E E 84.29 7.93 23.60 32.04 130.00 -175.09 -130.75 146.67 0.48 99.52 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.54 0.01 8 R E E 108.54 13.09 16.26 29.25 114.12 -113.66 -77.56 133.40 1.21 98.79 0.00 1.14 0.03 0.00 0.00 0.00 0.00 98.79 0.04 9 M E E 68.52 10.13 15.95 27.15 128.19 175.99 -128.49 154.71 15.30 84.68 0.03 13.67 1.02 0.08 0.00 0.01 0.00 84.93 0.27 10 G E E 37.84 4.02 15.43 20.92 130.12 27.94 117.61 -170.53 44.18 55.74 0.08 29.85 13.83 0.95 0.01 0.09 0.00 54.52 0.75 11 S C C 63.15 4.17 13.51 19.02 125.99 -58.84 -114.96 163.06 70.70 29.06 0.24 59.59 10.02 1.04 0.06 0.23 0.00 25.75 3.31 12 K C S 160.27 2.39 11.06 15.12 95.79 -96.25 -65.30 -30.20 98.80 0.53 0.67 2.35 55.07 41.52 0.02 0.61 0.00 0.32 0.12 13 K C S 171.49 0.75 14.08 13.53 96.87 37.10 -81.21 -16.14 98.94 0.37 0.69 2.48 54.92 41.62 0.02 0.65 0.00 0.23 0.08 14 S C S 52.10 6.41 13.25 21.29 114.32 32.69 -129.91 92.51 76.45 23.29 0.26 21.06 53.57 2.28 0.02 0.27 0.00 21.51 1.29 15 P C C 38.50 12.71 13.97 28.01 115.38 -152.67 -70.88 144.44 60.87 39.09 0.04 56.54 1.82 0.17 0.00 0.03 0.00 41.12 0.32 16 F E E 41.37 12.97 19.50 33.68 129.07 -169.68 -125.06 147.59 2.93 97.06 0.00 2.57 0.16 0.01 0.00 0.00 0.00 97.16 0.10 17 Y E E 34.05 18.75 19.52 37.97 126.50 -156.44 -119.93 141.82 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 18 R E E 50.63 15.15 24.53 39.29 129.90 -170.85 -129.85 143.26 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 19 I E E 10.11 22.77 21.51 44.45 117.71 -143.46 -105.84 128.60 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 20 V E E 11.98 18.47 25.26 43.63 125.89 -169.73 -120.70 139.34 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 21 V E E 12.97 20.31 24.13 44.25 118.69 -151.52 -107.38 129.13 0.46 99.54 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.58 0.01 22 A E E 9.38 17.49 20.18 38.23 133.11 -174.33 -131.60 154.84 4.69 95.31 0.00 4.37 0.14 0.00 0.00 0.00 0.00 95.33 0.16 23 D E E 37.15 10.50 19.67 31.22 115.21 -104.19 -72.84 151.41 23.02 76.92 0.06 21.38 1.34 0.14 0.02 0.04 0.00 75.68 1.40 24 S C T 62.39 10.23 15.23 26.33 91.61 -116.05 -63.72 -23.35 98.94 0.63 0.43 0.65 10.96 87.48 0.02 0.36 0.00 0.42 0.10 25 R C T 176.66 1.29 17.84 18.15 94.62 59.63 -86.15 -8.43 99.06 0.50 0.44 0.85 12.17 86.12 0.02 0.40 0.00 0.35 0.10 26 S C S 31.34 12.23 9.62 22.72 117.79 84.40 -97.96 127.09 96.66 3.13 0.21 24.80 71.71 0.53 0.06 0.11 0.00 1.11 1.66 27 P C C 70.74 5.07 14.40 20.85 108.87 -126.27 -65.65 155.01 94.93 2.04 3.02 83.92 4.60 5.81 0.48 3.01 0.00 1.10 1.09 28 R C T 147.84 7.44 11.74 20.48 94.27 -102.67 -63.33 -25.37 87.37 0.88 11.75 5.97 13.06 65.74 0.54 13.72 0.00 0.49 0.47 29 D C T 114.37 1.80 15.91 17.60 96.25 53.72 -84.01 3.15 85.82 0.52 13.66 3.70 11.23 68.38 0.59 15.53 0.00 0.28 0.29 30 G C C 32.31 11.65 12.91 24.72 99.83 -99.64 82.94 5.26 88.99 1.83 9.18 40.51 33.92 12.83 0.57 10.40 0.00 0.99 0.77 31 R C C 121.23 5.77 18.26 25.08 113.67 133.70 -83.91 132.13 92.79 6.49 0.72 77.11 13.11 2.39 0.14 0.73 0.00 4.90 1.63 32 F E E 76.60 15.10 13.92 28.74 113.61 -123.90 -83.95 129.25 40.88 58.97 0.14 38.63 1.81 0.20 0.05 0.11 0.00 54.30 4.89 33 I E E 66.55 11.89 17.88 30.17 100.91 176.10 -93.32 -33.98 38.52 61.44 0.03 19.82 18.27 0.35 0.00 0.03 0.00 61.33 0.19 34 E E E 73.42 8.93 21.44 30.89 137.93 -4.19 -148.76 149.35 3.56 96.41 0.03 2.98 0.54 0.06 0.00 0.02 0.00 96.31 0.09 35 T E E 66.80 13.00 19.09 31.77 111.99 -126.06 -89.05 122.59 1.02 98.97 0.01 1.11 0.03 0.00 0.00 0.00 0.00 98.81 0.05 36 V E E 22.32 18.18 18.02 36.47 101.25 175.92 -99.33 -21.79 2.97 97.01 0.02 2.26 0.60 0.08 0.00 0.01 0.00 97.02 0.04 37 G E E 8.89 12.10 22.03 35.46 144.55 -44.68 163.71 177.98 2.08 97.91 0.02 1.48 0.47 0.07 0.00 0.01 0.00 97.95 0.03 38 T E E 42.67 13.16 21.72 35.25 133.37 -97.47 -134.98 151.94 2.17 97.82 0.01 1.94 0.18 0.02 0.00 0.01 0.00 97.75 0.10 39 Y E E 43.73 16.92 17.25 34.50 122.75 -146.69 -116.29 134.83 7.61 92.37 0.02 6.74 0.68 0.05 0.01 0.01 0.00 90.96 1.54 40 N C C 45.24 8.73 18.24 28.89 111.03 -159.50 -114.65 106.26 71.01 28.96 0.03 67.25 2.39 0.14 0.01 0.03 0.00 29.65 0.54 41 P C T 50.02 12.51 12.63 26.50 94.14 -171.44 -67.27 -21.16 90.58 7.37 2.05 24.07 31.36 35.15 0.19 1.98 0.00 6.48 0.76 42 L C S 116.92 2.86 13.76 17.58 97.17 57.93 -80.64 -23.85 95.15 2.55 2.30 12.54 43.74 39.06 0.22 2.12 0.00 1.61 0.70 43 K C S 140.22 2.16 12.86 15.64 106.83 37.12 -99.00 -11.29 95.52 1.91 2.57 19.80 52.44 23.21 0.25 2.50 0.00 1.11 0.68 44 D C S 105.18 2.97 12.81 17.02 109.91 -12.02 -112.00 93.20 96.64 2.80 0.56 43.44 47.01 6.31 0.08 0.59 0.00 1.77 0.79 45 P C C 75.39 8.03 11.37 20.75 106.23 -151.43 -69.52 112.98 91.89 4.55 3.55 37.06 27.62 27.18 0.37 3.69 0.00 3.48 0.61 46 A C C 53.01 8.86 13.22 23.20 112.45 -134.15 -82.08 132.21 79.20 17.07 3.73 49.31 14.63 14.27 0.38 3.79 0.00 16.87 0.75 47 E E E 106.76 6.48 17.73 25.23 116.51 -134.45 -102.45 127.99 43.96 53.25 2.79 37.54 4.83 1.67 0.56 2.04 0.00 52.31 1.05 48 V E E 29.52 19.43 12.73 31.52 124.96 -165.84 -119.67 136.94 15.17 84.38 0.45 13.95 1.01 0.21 0.26 0.20 0.00 83.36 1.00 49 V E E 76.84 6.59 23.44 30.74 125.05 -166.92 -122.03 136.80 7.90 91.85 0.25 7.21 0.71 0.14 0.17 0.10 0.00 90.62 1.05 50 L E E 22.49 22.51 12.40 34.43 117.68 -142.89 -98.01 130.90 21.14 78.67 0.19 20.03 0.97 0.10 0.15 0.07 0.00 76.22 2.45 51 K C C 100.91 5.59 21.15 27.19 107.24 -131.84 -86.42 109.41 84.79 14.95 0.26 84.35 0.84 0.10 0.17 0.05 0.00 14.05 0.44 52 E H H 87.53 13.78 13.86 27.67 93.47 -158.96 -61.67 -37.94 2.53 0.01 97.46 0.68 0.30 1.27 97.23 0.52 0.00 0.00 0.00 53 D H H 107.79 1.41 20.64 20.74 91.65 54.52 -64.02 -39.30 0.86 0.00 99.14 0.10 0.06 0.58 98.76 0.49 0.00 0.00 0.00 54 L H H 50.47 9.37 18.46 29.04 92.12 49.11 -65.96 -40.73 0.24 0.00 99.76 0.04 0.01 0.14 99.45 0.35 0.00 0.00 0.00 55 V H H 4.48 23.99 14.21 38.46 91.55 50.44 -63.71 -43.60 0.16 0.00 99.84 0.02 0.01 0.09 99.79 0.09 0.00 0.00 0.00 56 L H H 51.32 10.18 19.90 31.01 91.37 50.31 -63.33 -41.43 0.16 0.00 99.84 0.02 0.01 0.10 99.82 0.05 0.00 0.00 0.00 57 D H H 82.23 2.23 23.44 24.10 91.76 50.48 -64.17 -41.52 0.25 0.00 99.75 0.02 0.01 0.18 99.71 0.08 0.00 0.00 0.00 58 W H H 32.30 15.21 17.31 33.33 91.86 50.15 -64.17 -42.67 0.48 0.00 99.52 0.03 0.02 0.37 99.27 0.31 0.00 0.00 0.00 59 L H H 28.01 19.27 14.51 33.28 91.71 50.45 -64.86 -38.81 1.21 0.00 98.79 0.07 0.05 1.04 98.09 0.75 0.00 0.00 0.00 60 S H H 80.79 3.21 18.07 22.26 90.38 56.79 -67.23 -23.65 11.27 0.01 88.72 0.25 0.35 11.10 87.41 0.87 0.02 0.00 0.01 61 K C T 133.71 2.88 17.04 20.38 94.48 53.60 -89.41 -0.33 84.16 0.03 15.81 0.37 1.63 81.20 16.07 0.69 0.00 0.01 0.03 62 G C T 44.76 4.88 18.52 24.20 101.68 -97.33 92.56 8.00 99.22 0.02 0.75 2.84 2.19 94.18 0.68 0.08 0.00 0.01 0.01 63 A C C 19.27 19.59 11.10 30.17 116.87 160.97 -73.05 143.50 98.34 1.59 0.07 97.15 1.28 0.14 0.03 0.02 0.00 0.94 0.43 64 Q C C 123.19 3.03 23.96 27.37 115.09 -139.34 -102.02 129.04 89.28 10.69 0.02 88.69 1.37 0.05 0.01 0.01 0.00 8.76 1.11 65 P C C 34.91 21.32 12.36 32.50 117.15 -115.56 -69.04 149.49 83.94 16.01 0.05 85.08 0.71 0.04 0.02 0.01 0.00 9.50 4.64 66 S C C 32.26 10.21 16.11 27.73 120.49 -113.48 -74.60 162.28 98.73 1.19 0.09 98.65 0.40 0.03 0.05 0.01 0.00 0.44 0.41 67 D H H 116.13 1.73 18.16 19.92 90.96 -105.45 -60.28 -34.78 1.23 0.00 98.76 0.14 0.19 0.72 98.82 0.13 0.00 0.00 0.00 68 T H H 63.72 6.24 18.85 25.90 91.87 53.03 -64.82 -41.24 0.54 0.00 99.46 0.04 0.03 0.37 99.43 0.12 0.00 0.00 0.00 69 V H H 7.11 22.98 14.43 37.41 91.81 48.33 -64.84 -42.58 0.15 0.00 99.85 0.02 0.01 0.08 99.82 0.07 0.00 0.00 0.00 70 R H H 91.36 12.46 18.65 30.99 91.05 51.66 -61.93 -42.36 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 71 N H H 88.51 2.07 23.12 23.43 91.67 49.72 -64.05 -42.03 0.19 0.00 99.81 0.01 0.00 0.13 99.83 0.02 0.00 0.00 0.00 72 I H H 31.01 11.37 19.15 31.95 91.67 49.18 -63.85 -43.34 0.28 0.00 99.72 0.02 0.01 0.21 99.73 0.04 0.00 0.00 0.00 73 L H H 9.49 20.40 14.51 35.27 91.73 48.77 -64.46 -42.29 0.65 0.00 99.35 0.09 0.05 0.41 99.35 0.11 0.00 0.00 0.00 74 S H H 54.46 6.83 16.93 24.86 91.85 51.10 -64.02 -40.46 2.00 0.00 97.99 0.22 0.10 1.47 97.73 0.47 0.00 0.00 0.00 75 K H H 150.03 1.51 18.00 19.04 91.51 51.75 -65.92 -32.76 6.64 0.00 93.36 0.16 0.21 6.40 92.74 0.48 0.00 0.00 0.00 76 E C T 91.17 8.16 14.41 23.72 93.84 50.54 -85.79 -4.53 75.38 0.02 24.61 0.24 1.47 73.06 24.56 0.64 0.00 0.00 0.02 77 G C T 38.84 4.52 18.26 23.75 96.28 -112.14 80.92 11.61 98.52 0.01 1.47 1.45 2.35 94.69 1.39 0.10 0.00 0.00 0.01 78 V H H 24.78 13.44 15.13 30.15 95.11 122.08 -71.60 -34.46 11.65 0.04 88.31 7.58 1.54 2.81 87.11 0.92 0.00 0.01 0.03 79 M H H 39.07 15.66 14.88 30.63 92.59 55.27 -63.93 -41.91 2.32 0.01 97.66 0.49 0.29 1.44 96.64 1.13 0.00 0.00 0.00 80 K H H 120.12 2.86 19.99 22.76 91.81 51.89 -63.91 -41.26 0.84 0.01 99.16 0.21 0.08 0.47 98.19 1.05 0.00 0.00 0.00 81 K H H 112.24 3.07 19.36 22.41 92.07 49.65 -65.88 -40.75 0.75 0.01 99.25 0.16 0.07 0.43 98.61 0.72 0.00 0.00 0.00 82 H H H 53.98 11.52 15.14 27.57 92.88 47.93 -66.60 -41.17 1.37 0.01 98.62 0.32 0.14 0.79 98.19 0.56 0.00 0.00 0.00 83 H H H 76.84 7.52 15.27 24.25 92.42 49.57 -65.63 -40.37 2.47 0.01 97.52 0.56 0.25 1.46 97.12 0.59 0.00 0.01 0.00 84 E H H 113.43 2.03 16.73 18.38 92.64 50.45 -65.83 -38.56 4.96 0.03 95.01 1.06 0.53 3.08 94.44 0.86 0.01 0.01 0.01 85 A H H 52.40 4.49 13.30 19.41 93.41 52.49 -66.96 -36.33 11.03 0.07 88.90 2.68 1.38 6.67 87.66 1.52 0.01 0.03 0.03 86 K H H 110.85 5.64 12.29 19.28 94.60 54.69 -71.79 -29.89 23.65 0.18 76.18 5.39 3.18 15.09 74.00 2.14 0.03 0.07 0.09 87 N H H 105.98 3.06 11.17 15.59 98.88 54.94 -81.74 -4.93 42.49 0.49 57.02 12.63 6.91 23.55 53.83 2.58 0.04 0.20 0.26 88 V C H 102.24 2.92 8.90 13.50 106.64 92.01 -85.24 75.01 61.38 1.33 37.29 30.39 12.46 18.38 34.80 2.76 0.02 0.52 0.67 89 K C C 149.48 2.17 8.46 12.28 108.94 77.76 -86.76 108.46 82.77 0.88 16.35 67.16 1.46 12.96 15.97 1.53 0.00 0.42 0.50 90 K C C 152.21 2.45 10.32 14.47 108.34 -137.84 -84.76 109.21 99.95 0.02 0.03 99.85 0.06 0.06 0.01 0.00 0.00 0.01 0.00