# 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 K C C 142.20 3.58 14.96 20.01 111.27 -132.76 -85.59 122.66 99.93 0.06 0.01 99.72 0.18 0.05 0.00 0.00 0.00 0.03 0.01 1 A C C 65.55 7.63 12.21 21.17 113.41 -134.00 -76.22 139.34 94.85 4.31 0.85 93.03 1.26 1.10 0.34 0.26 0.00 2.99 1.03 2 K C C 118.98 6.15 15.34 22.98 118.28 -142.92 -99.33 134.13 66.63 31.43 1.94 58.25 5.75 1.47 1.14 0.85 0.00 21.53 11.01 3 V C C 39.10 15.48 12.50 28.18 112.94 -137.49 -92.34 121.13 67.28 30.28 2.44 62.76 3.21 1.05 1.43 0.98 0.00 23.72 6.85 4 K C C 101.74 8.12 17.97 26.97 95.43 -159.25 -68.43 -29.73 47.35 12.24 40.42 27.91 10.50 11.27 12.33 26.48 0.06 9.60 1.85 5 A H G 37.32 12.61 15.06 28.07 94.39 61.97 -72.66 -20.48 44.78 7.49 47.73 19.33 11.70 16.65 12.18 33.19 0.07 5.42 1.47 6 T C G 50.04 11.86 14.58 27.02 98.23 58.84 -88.67 -2.18 48.24 5.72 46.04 27.66 9.21 13.28 11.76 32.88 0.02 3.68 1.51 7 L C C 76.13 10.63 12.26 23.49 106.68 99.43 -81.20 81.71 61.42 4.32 34.25 25.86 15.88 20.63 15.03 18.08 0.12 2.04 2.37 8 G C T 52.34 3.04 15.35 19.12 111.34 -5.38 74.17 -126.40 73.53 1.19 25.28 14.97 18.61 40.36 10.71 13.90 0.03 0.56 0.86 9 E C T 143.43 2.53 14.86 18.10 102.53 4.18 -83.97 11.82 72.37 1.75 25.88 24.94 17.00 31.25 10.34 14.56 0.02 0.80 1.08 10 F C C 71.03 14.79 9.11 23.16 114.91 114.75 -93.89 130.86 73.54 4.62 21.85 45.19 16.55 11.70 11.49 10.29 0.02 2.23 2.53 11 D C C 96.14 3.90 17.29 22.03 110.03 -149.93 -91.17 112.63 77.96 4.23 17.80 58.14 10.55 8.92 9.39 8.72 0.00 2.65 1.63 12 L C C 74.64 12.96 13.36 26.14 104.11 -144.58 -79.06 29.07 70.66 6.64 22.70 44.27 14.17 12.15 11.95 10.85 0.04 3.74 2.83 13 R C C 114.04 9.65 15.30 25.37 101.12 68.42 -87.30 -3.86 75.68 4.78 19.54 47.99 15.93 11.61 10.70 8.90 0.02 2.52 2.33 14 D C C 63.65 7.97 17.38 26.34 109.88 79.46 -97.25 104.57 81.43 3.15 15.42 63.03 10.31 7.56 7.19 8.45 0.00 1.58 1.89 15 Y C T 61.55 18.43 12.49 29.90 95.69 -160.99 -71.90 -13.25 62.51 1.01 36.48 13.89 8.98 39.19 8.12 28.67 0.01 0.54 0.60 16 R C T 147.19 4.64 17.80 23.51 94.04 69.98 -75.35 -15.21 63.75 1.01 35.24 10.08 10.66 42.49 8.29 27.27 0.02 0.53 0.65 17 N C C 65.36 8.43 16.02 25.71 103.99 70.85 -98.49 77.90 75.37 1.93 22.70 56.80 10.56 7.65 8.33 14.53 0.00 0.83 1.30 18 V H H 45.26 16.31 12.86 28.91 94.21 162.93 -65.23 -35.26 6.01 0.05 93.94 2.68 1.09 2.51 89.81 3.87 0.00 0.02 0.02 19 E H H 124.28 2.10 20.19 21.80 91.69 58.12 -63.53 -39.74 2.08 0.01 97.91 0.27 0.20 1.51 92.55 5.46 0.00 0.01 0.00 20 V H H 36.75 10.37 18.05 29.83 92.17 50.27 -65.47 -41.15 1.21 0.01 98.78 0.15 0.10 0.89 93.48 5.37 0.00 0.01 0.00 21 L H H 4.99 25.09 13.53 38.74 91.33 52.20 -64.01 -40.15 1.16 0.00 98.83 0.13 0.10 0.82 93.38 5.57 0.00 0.00 0.00 22 K H H 105.35 10.36 19.82 30.38 91.02 56.62 -64.13 -33.45 5.96 0.03 94.02 0.36 0.31 4.84 72.62 21.83 0.01 0.02 0.01 23 R H H 140.41 3.63 23.54 27.30 91.41 56.76 -70.55 -26.71 24.11 0.05 75.84 0.51 0.87 22.72 53.69 22.11 0.03 0.02 0.04 24 F H H 20.20 20.09 16.53 37.01 96.47 48.38 -96.61 -7.81 41.30 0.21 58.48 1.83 2.80 34.89 40.63 19.54 0.06 0.11 0.16 25 L E B 24.56 20.10 13.68 33.62 120.97 90.61 -91.24 141.24 7.07 92.67 0.26 3.75 0.81 0.03 0.23 0.02 0.00 6.94 88.20 26 S C C 32.23 9.13 15.27 26.10 123.33 -132.68 -80.27 173.40 96.71 3.16 0.14 96.93 0.38 0.15 0.05 0.04 0.00 1.65 0.80 27 E C T 161.11 1.66 15.07 17.51 90.34 -89.93 -64.29 -22.88 99.01 0.48 0.51 0.41 3.63 95.14 0.04 0.35 0.00 0.31 0.10 28 T C T 94.63 2.26 17.65 19.71 92.91 54.30 -88.13 -2.30 99.37 0.12 0.52 0.21 3.27 95.96 0.02 0.45 0.00 0.06 0.03 29 G C S 13.88 17.06 13.15 30.25 95.89 -108.03 82.81 9.42 99.52 0.30 0.18 10.10 88.64 0.90 0.02 0.12 0.00 0.11 0.11 30 K C C 97.34 5.56 22.62 29.13 121.13 134.78 -90.08 146.50 94.38 5.55 0.07 75.18 19.33 0.20 0.04 0.04 0.00 2.46 2.76 31 I E B 22.34 22.05 14.92 36.93 113.30 -113.72 -80.28 131.73 10.76 89.14 0.10 7.07 0.95 0.03 0.10 0.01 0.00 9.15 82.69 32 L C C 33.60 14.14 17.89 33.05 114.27 -120.21 -76.32 138.01 96.04 3.86 0.10 94.85 1.75 0.08 0.07 0.02 0.00 2.67 0.56 33 P C C 49.56 8.17 20.31 29.48 112.96 -106.97 -66.90 146.14 95.51 1.92 2.57 92.72 2.21 0.67 2.27 0.30 0.00 0.82 1.01 34 R H H 99.30 14.96 12.44 26.99 92.35 -116.80 -59.76 -32.75 19.80 0.31 79.89 3.71 3.60 11.97 59.67 20.58 0.13 0.14 0.18 35 R H H 176.56 1.58 17.29 18.82 91.39 62.01 -67.43 -25.26 18.20 0.41 81.39 2.89 2.81 11.58 58.80 23.25 0.25 0.23 0.19 36 R H H 131.29 5.89 16.44 23.27 95.88 51.02 -84.08 -24.27 19.44 0.75 79.81 3.76 4.04 11.57 58.82 20.67 0.41 0.38 0.36 37 T H H 26.59 18.05 11.68 28.87 99.93 50.69 -92.78 -12.04 37.54 1.29 61.16 11.10 12.33 17.55 52.79 4.53 0.29 0.47 0.93 38 G C C 50.76 3.21 21.60 24.89 96.01 -121.72 79.67 10.88 97.66 1.20 1.14 49.75 23.96 24.20 0.44 0.57 0.00 0.62 0.46 39 L C C 25.36 19.24 9.42 28.01 121.85 129.79 -84.97 149.88 94.39 5.06 0.55 71.57 21.37 0.76 0.38 0.17 0.00 1.55 4.20 40 S C C 52.24 3.38 19.51 22.74 120.22 -111.67 -73.94 162.74 97.90 1.79 0.31 96.72 1.28 0.17 0.20 0.05 0.00 0.49 1.09 41 A H H 70.05 6.00 14.36 22.03 91.31 -105.18 -57.68 -39.08 2.09 0.01 97.91 0.42 0.39 1.06 97.81 0.31 0.00 0.00 0.00 42 K H H 139.23 1.51 19.49 20.00 91.36 52.35 -63.83 -40.72 0.85 0.00 99.14 0.10 0.07 0.58 98.92 0.32 0.00 0.00 0.00 43 E H H 54.05 12.17 17.24 30.03 92.12 47.57 -66.53 -39.94 0.33 0.00 99.67 0.05 0.02 0.20 99.43 0.30 0.00 0.00 0.00 44 Q H H 29.82 18.34 15.35 33.41 91.56 52.79 -62.44 -42.22 0.10 0.00 99.90 0.01 0.01 0.05 99.87 0.06 0.00 0.00 0.00 45 R H H 130.15 3.33 23.19 26.34 91.49 50.48 -63.69 -41.28 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 46 I H H 72.75 6.38 23.15 29.76 91.59 49.00 -64.67 -42.48 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 47 L H H 9.18 22.54 18.38 40.82 91.98 49.98 -64.33 -42.45 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 48 A H H 25.26 13.65 21.54 35.43 91.58 51.36 -62.98 -42.35 0.12 0.00 99.88 0.01 0.00 0.08 99.90 0.02 0.00 0.00 0.00 49 K H H 110.08 2.84 25.97 27.94 91.68 49.53 -64.36 -42.00 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 50 T H H 22.61 13.50 21.48 35.71 91.95 49.51 -64.34 -42.71 0.19 0.00 99.81 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 51 I H H 11.39 22.35 19.04 40.95 91.88 49.66 -63.83 -43.08 0.16 0.00 99.84 0.02 0.01 0.09 99.84 0.03 0.00 0.00 0.00 52 K H H 96.40 7.34 23.64 31.30 91.61 50.79 -63.23 -41.87 0.17 0.00 99.83 0.02 0.01 0.11 99.83 0.04 0.00 0.00 0.00 53 R H H 111.94 4.20 23.64 27.66 91.72 49.47 -64.67 -41.75 0.21 0.00 99.79 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 54 A H H 9.54 16.15 16.04 33.46 91.79 50.91 -63.63 -42.22 0.27 0.00 99.73 0.03 0.01 0.17 99.68 0.11 0.00 0.00 0.00 55 R H H 87.34 12.11 17.13 29.36 92.04 51.13 -64.15 -40.76 0.57 0.00 99.43 0.05 0.02 0.41 99.27 0.24 0.00 0.00 0.00 56 I H H 107.30 3.06 17.92 21.39 91.92 49.62 -66.56 -36.51 1.54 0.01 98.45 0.08 0.07 1.33 98.23 0.29 0.00 0.00 0.00 57 L H H 90.73 5.29 15.24 21.73 93.67 51.05 -81.90 -9.48 19.70 0.04 80.27 0.26 0.51 20.38 77.87 0.89 0.04 0.01 0.03 58 G C T 46.06 5.57 15.72 22.22 96.40 -98.84 76.66 6.55 77.90 0.03 22.07 0.46 1.30 75.46 22.08 0.66 0.00 0.01 0.03 59 L C T 77.12 8.26 14.91 24.31 98.34 106.49 -87.55 -20.10 85.95 0.42 13.64 6.15 16.87 61.21 13.84 1.42 0.00 0.15 0.37 60 L C C 52.90 13.19 11.22 24.64 115.31 59.43 -105.54 124.85 83.46 1.54 15.00 37.96 37.92 7.96 7.53 6.88 0.01 0.55 1.20 61 P C C 83.48 4.39 14.90 20.51 100.51 -135.30 -69.14 -5.33 80.00 0.90 19.10 44.12 15.72 19.92 8.07 11.21 0.00 0.43 0.52 62 F C C 127.95 5.28 12.79 19.53 103.20 61.98 -88.23 24.78 70.82 3.95 25.23 43.13 11.80 15.87 12.84 12.37 0.02 2.03 1.94 63 T C C 69.29 8.49 10.56 20.21 111.89 118.10 -96.48 122.61 66.40 3.67 29.93 50.31 8.78 7.18 21.15 9.06 0.01 2.01 1.50 64 E C C 124.05 4.21 11.46 17.41 110.68 -155.95 -95.21 114.92 56.61 2.63 40.76 34.30 11.01 11.51 28.63 12.10 0.03 1.50 0.92 65 K C C 134.95 3.63 11.08 16.51 115.26 -148.86 -96.19 131.33 53.60 2.80 43.59 31.18 9.92 12.85 30.91 12.51 0.05 1.69 0.89 66 L C C 100.49 5.69 9.03 16.49 114.98 -148.93 -95.14 129.35 53.73 4.48 41.79 35.23 8.91 9.91 31.07 10.68 0.04 2.91 1.25 67 V C C 97.72 4.50 8.23 14.59 114.33 -154.82 -99.42 126.48 60.43 7.33 32.25 43.49 8.14 8.74 26.52 6.15 0.04 4.95 1.98 68 R C C 163.09 2.73 8.28 12.96 114.80 -155.84 -99.18 128.46 76.80 3.63 19.57 66.82 1.83 7.99 16.78 3.01 0.00 2.34 1.23 69 K C C 154.17 2.36 10.97 15.00 110.89 -136.84 -88.36 121.60 99.76 0.11 0.13 99.48 0.15 0.19 0.09 0.01 0.00 0.06 0.01