# 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 111.16 7.21 12.80 21.10 116.85 -158.07 -96.18 131.40 99.85 0.14 0.01 99.82 0.08 0.01 0.00 0.00 0.00 0.06 0.02 1 A C C 66.88 5.13 10.65 17.64 118.50 -144.17 -92.36 140.45 97.89 1.30 0.80 97.32 0.43 0.53 0.48 0.12 0.00 0.60 0.52 2 P C C 91.05 4.33 10.90 17.08 112.96 -106.50 -68.63 146.25 92.03 1.98 5.99 81.19 6.02 5.18 3.50 2.11 0.00 1.25 0.76 3 T C C 86.92 5.99 9.90 17.57 114.48 -129.50 -88.40 138.53 84.46 3.89 11.65 66.54 10.17 7.65 7.19 4.50 0.00 2.24 1.71 4 K C C 135.40 4.27 11.50 17.61 113.86 -136.97 -93.56 129.33 77.99 4.46 17.56 57.18 12.59 7.90 11.93 6.05 0.01 2.65 1.69 5 K C C 130.29 5.01 12.03 18.79 112.91 -138.13 -91.78 131.55 72.69 4.75 22.57 51.40 12.11 8.80 16.20 6.91 0.01 2.90 1.67 6 A C C 58.67 8.87 11.10 21.02 113.94 -130.77 -85.49 134.59 73.67 3.94 22.39 51.81 12.43 9.01 16.64 6.32 0.01 2.33 1.45 7 K C C 121.43 6.39 13.25 21.07 112.24 -136.55 -88.36 128.79 74.55 3.00 22.44 50.56 14.12 9.42 17.64 5.41 0.01 1.65 1.21 8 K C C 123.58 6.23 13.51 21.17 110.99 -131.37 -87.40 127.24 72.67 2.10 25.23 46.44 14.67 11.02 20.97 4.92 0.01 1.02 0.95 9 S C C 64.40 8.04 13.53 22.47 110.16 -127.42 -81.87 127.97 65.83 1.15 33.03 33.90 15.18 16.99 27.08 5.76 0.02 0.49 0.59 10 G C H 43.17 8.24 15.77 24.21 101.75 11.15 39.26 -7.04 58.60 1.04 40.36 28.00 14.45 17.04 33.09 6.42 0.03 0.43 0.56 11 E H H 91.71 8.43 15.85 25.13 108.52 109.47 -83.47 107.40 49.11 0.93 49.95 26.98 11.97 10.97 44.61 4.63 0.02 0.38 0.44 12 N H H 71.62 8.22 20.09 28.59 107.89 50.00 -78.41 128.33 44.92 0.96 54.12 29.94 7.85 7.77 50.68 2.92 0.01 0.39 0.43 13 I H H 14.27 23.20 16.90 39.24 93.74 -109.72 -64.77 -40.15 12.10 0.20 87.70 6.22 2.49 3.95 85.85 1.30 0.01 0.08 0.09 14 N H H 49.68 16.15 20.52 35.58 91.95 53.10 -62.89 -41.31 7.28 0.11 92.62 3.11 1.20 3.15 91.42 1.01 0.01 0.05 0.05 15 N H H 83.00 3.91 24.83 28.36 91.93 49.50 -65.47 -40.49 5.73 0.09 94.19 2.37 0.90 2.61 93.14 0.89 0.01 0.04 0.04 16 K H H 49.45 15.20 22.22 36.73 92.06 50.10 -64.98 -41.93 2.40 0.03 97.57 0.89 0.33 1.18 97.17 0.39 0.00 0.01 0.01 17 L H H 2.28 26.62 18.38 45.42 91.37 50.21 -63.83 -42.63 0.87 0.01 99.12 0.28 0.10 0.43 99.04 0.14 0.00 0.00 0.00 18 Q H H 71.31 9.99 23.31 33.39 91.25 52.08 -62.63 -41.53 0.51 0.01 99.48 0.17 0.04 0.24 99.44 0.10 0.00 0.00 0.00 19 L H H 67.62 5.08 24.04 29.33 91.53 50.49 -64.07 -42.15 0.49 0.01 99.50 0.13 0.04 0.27 99.41 0.14 0.00 0.00 0.00 20 V H H 8.20 20.00 17.23 37.73 91.71 49.44 -64.35 -42.71 0.68 0.03 99.29 0.15 0.06 0.40 99.13 0.23 0.00 0.02 0.00 21 M H H 44.43 18.32 16.13 33.56 92.01 50.26 -64.21 -40.27 1.63 0.04 98.33 0.28 0.12 1.12 97.78 0.66 0.01 0.02 0.01 22 K H H 149.51 2.00 19.86 21.90 91.37 52.27 -65.61 -31.14 8.18 0.04 91.78 0.43 0.40 7.30 91.12 0.70 0.02 0.02 0.02 23 S C T 63.34 5.35 16.93 23.21 92.96 51.67 -84.63 -9.27 55.86 0.08 44.06 0.76 2.09 51.39 44.61 1.05 0.02 0.02 0.06 24 G C T 35.88 10.14 16.34 26.94 97.53 -109.14 82.96 9.53 99.49 0.21 0.30 4.30 15.19 80.12 0.09 0.12 0.00 0.15 0.04 25 K C C 99.59 9.27 21.12 30.55 106.81 110.98 -95.26 16.77 86.07 13.73 0.20 60.39 23.54 1.28 0.03 0.20 0.00 14.11 0.46 26 Y E E 31.81 22.31 16.08 37.62 127.67 71.55 -121.34 143.21 17.93 81.89 0.19 14.96 2.95 0.29 0.07 0.13 0.00 80.36 1.25 27 T E E 30.96 14.06 24.35 38.52 125.36 -166.16 -121.78 137.30 7.00 92.96 0.04 7.13 0.21 0.02 0.02 0.01 0.00 91.08 1.52 28 L E E 44.25 18.35 21.85 38.90 120.40 -159.72 -116.15 129.88 20.11 79.85 0.04 17.76 1.94 0.09 0.02 0.02 0.00 79.32 0.85 29 G C S 15.25 11.10 25.37 37.41 126.02 24.62 103.47 165.72 93.24 4.17 2.60 18.78 72.78 2.00 2.97 0.27 0.00 2.19 1.02 30 Y H H 44.95 21.37 16.75 37.22 91.78 -90.99 -61.06 -39.02 1.51 0.01 98.49 0.13 0.28 0.95 98.44 0.18 0.00 0.00 0.00 31 K H H 130.55 3.87 23.36 27.94 91.38 52.77 -63.12 -41.57 0.58 0.00 99.42 0.03 0.05 0.43 99.33 0.16 0.00 0.00 0.00 32 T H H 52.16 7.70 22.74 30.90 92.04 48.03 -65.88 -40.80 0.22 0.00 99.78 0.02 0.01 0.14 99.67 0.15 0.00 0.00 0.00 33 V H H 1.93 26.44 17.02 44.08 91.15 50.20 -63.87 -44.00 0.15 0.00 99.85 0.01 0.01 0.09 99.83 0.05 0.00 0.00 0.00 34 L H H 24.73 18.80 21.16 39.27 91.17 50.04 -63.02 -42.85 0.14 0.00 99.86 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 35 K H H 114.02 2.57 26.08 27.63 91.56 50.48 -64.12 -41.71 0.20 0.00 99.80 0.01 0.01 0.15 99.76 0.08 0.00 0.00 0.00 36 T H H 23.00 13.27 20.28 34.38 91.67 49.60 -64.84 -41.69 0.42 0.00 99.58 0.03 0.02 0.32 99.44 0.18 0.00 0.00 0.00 37 L H H 3.68 25.88 14.58 40.78 91.51 50.12 -64.97 -41.47 1.37 0.00 98.63 0.11 0.08 1.08 98.30 0.44 0.00 0.00 0.00 38 R H H 124.99 8.94 19.83 29.28 91.85 51.47 -66.86 -33.14 6.73 0.01 93.27 0.20 0.28 6.08 93.03 0.40 0.00 0.00 0.00 39 S C T 72.88 2.62 20.27 22.31 94.83 52.12 -85.50 -6.13 70.75 0.06 29.18 1.14 3.78 63.21 30.86 0.93 0.01 0.02 0.06 40 S C T 58.17 12.96 15.58 27.92 98.16 -115.88 66.03 23.42 96.62 0.10 3.28 4.91 10.82 81.02 2.48 0.67 0.00 0.04 0.07 41 K C C 120.14 5.66 22.24 28.29 98.47 127.81 -88.70 -4.77 98.18 0.81 1.00 44.92 39.88 13.42 0.23 0.79 0.00 0.41 0.37 42 G C C 6.42 23.25 14.48 36.74 117.50 90.28 -85.86 142.79 94.04 5.48 0.48 73.03 15.36 5.16 0.05 0.61 0.00 5.30 0.49 43 K C S 88.39 11.29 26.18 37.62 101.72 -173.80 -98.24 -20.09 86.69 13.24 0.07 27.46 57.79 0.82 0.01 0.07 0.00 13.58 0.27 44 L E E 11.61 21.43 25.62 46.21 133.07 27.44 -138.78 143.52 3.24 96.74 0.02 2.49 0.61 0.05 0.00 0.01 0.00 96.75 0.09 45 I E E 1.36 26.95 26.86 53.71 121.06 -162.07 -117.81 128.66 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 46 I E E 2.50 25.41 29.13 54.00 116.77 -160.21 -106.47 124.60 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 47 L E E 4.52 24.61 26.32 49.92 129.94 -174.18 -124.07 146.86 0.42 99.58 0.00 0.41 0.00 0.00 0.00 0.00 0.00 99.57 0.01 48 A E E 5.38 21.71 20.88 42.95 114.93 -114.29 -73.90 142.64 23.74 76.24 0.03 22.48 0.81 0.07 0.00 0.02 0.00 76.31 0.31 49 N C T 70.38 11.46 22.10 33.89 93.49 -127.89 -66.93 -23.71 92.28 7.17 0.55 3.89 21.45 67.40 0.02 0.60 0.00 6.22 0.42 50 N C T 90.71 6.11 22.37 29.41 94.78 58.94 -91.57 6.20 97.95 1.64 0.40 6.96 27.12 63.89 0.02 0.51 0.00 1.29 0.21 51 C C S 10.20 23.52 9.13 31.71 119.11 118.08 -76.51 144.66 98.48 1.40 0.12 40.46 57.93 0.25 0.05 0.05 0.00 0.38 0.89 52 P C C 57.42 4.78 18.29 24.12 114.21 -101.78 -63.14 149.33 99.88 0.05 0.07 99.28 0.56 0.07 0.04 0.01 0.00 0.01 0.03 53 P H H 100.17 3.63 14.15 19.60 91.64 -110.31 -57.28 -37.22 15.83 0.03 84.14 1.46 1.50 11.54 69.41 16.04 0.02 0.01 0.02 54 L H H 115.42 1.85 17.10 18.75 91.74 54.26 -64.85 -35.41 12.66 0.05 87.30 1.00 1.03 9.39 71.73 16.77 0.03 0.02 0.03 55 R H H 64.56 15.08 14.86 29.65 93.80 48.57 -73.66 -32.18 8.71 0.09 91.20 1.72 1.00 5.06 73.35 18.77 0.01 0.06 0.02 56 K H H 66.85 16.82 15.41 31.27 91.95 60.48 -61.00 -42.81 4.76 0.03 95.20 1.37 0.62 2.47 92.86 2.65 0.01 0.01 0.01 57 S H H 64.13 2.17 23.13 23.68 91.73 50.95 -64.15 -40.68 4.44 0.01 95.54 0.61 0.37 3.01 94.00 2.01 0.00 0.00 0.00 58 E H H 72.30 8.33 21.92 30.70 91.68 50.12 -64.69 -41.34 1.99 0.01 98.00 0.36 0.18 1.31 97.14 1.01 0.00 0.00 0.00 59 I H H 2.18 26.61 15.65 42.96 91.23 49.80 -64.15 -43.18 0.19 0.00 99.81 0.04 0.01 0.10 99.79 0.06 0.00 0.00 0.00 60 E H H 79.39 12.01 21.64 33.24 91.43 51.91 -62.07 -42.11 0.05 0.00 99.95 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 61 Y H H 127.04 2.18 24.85 25.21 91.61 49.68 -63.66 -42.55 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 62 Y H H 37.51 15.00 20.20 35.48 92.11 48.79 -64.78 -42.53 0.04 0.00 99.96 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 63 A H H 4.54 23.06 14.19 37.37 91.64 50.69 -63.38 -42.27 0.14 0.00 99.86 0.01 0.00 0.10 99.82 0.06 0.00 0.00 0.00 64 M H H 117.84 3.55 20.17 24.44 91.90 49.49 -64.59 -40.51 0.63 0.00 99.37 0.02 0.01 0.58 99.22 0.17 0.00 0.00 0.00 65 L H H 102.84 3.82 19.60 23.79 91.68 50.75 -66.05 -35.14 3.78 0.00 96.22 0.06 0.09 3.68 95.98 0.19 0.00 0.00 0.00 66 A C T 23.65 16.02 14.40 30.79 94.93 46.51 -88.44 -3.61 58.56 0.06 41.38 0.98 2.53 52.79 42.98 0.64 0.01 0.01 0.05 67 K C T 154.88 2.26 21.64 24.13 93.92 -124.99 57.80 40.91 99.63 0.05 0.32 4.27 2.06 93.45 0.14 0.04 0.00 0.02 0.01 68 I C C 14.98 22.46 13.01 35.42 123.07 144.26 -112.02 137.71 93.90 6.09 0.02 89.18 4.18 0.09 0.00 0.01 0.00 6.40 0.14 69 S E E 40.70 8.27 25.76 34.83 113.81 -114.46 -73.20 138.67 35.13 64.84 0.03 32.92 1.13 0.09 0.00 0.02 0.00 65.54 0.29 70 V E E 24.85 23.46 16.14 38.96 123.86 -162.12 -120.71 131.70 2.79 97.20 0.00 2.64 0.09 0.00 0.00 0.00 0.00 97.04 0.22 71 H E E 50.24 13.45 24.07 37.46 121.82 -168.79 -116.37 130.88 0.65 99.35 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.36 0.03 72 H E E 80.66 14.16 22.43 35.80 117.39 -150.91 -99.37 126.98 2.31 97.69 0.00 2.13 0.09 0.01 0.00 0.00 0.00 97.72 0.06 73 F E E 31.35 20.14 14.70 34.45 120.10 -162.67 -108.11 129.93 25.73 74.18 0.10 24.19 1.12 0.15 0.02 0.06 0.00 73.83 0.63 74 H C C 132.89 4.06 21.63 26.21 105.06 -161.06 -98.86 57.86 68.80 30.82 0.38 38.66 25.29 4.38 0.06 0.35 0.00 30.60 0.66 75 G C S 28.17 8.88 19.15 28.59 137.47 66.34 145.29 -173.23 89.26 9.96 0.79 18.01 63.84 7.21 0.15 0.56 0.00 9.20 1.03 76 N C C 74.37 7.52 22.43 30.12 123.18 -64.34 -103.49 147.17 91.92 4.24 3.84 78.68 10.62 2.51 2.95 1.07 0.00 2.43 1.75 77 N H H 36.30 21.06 15.17 35.30 93.94 -131.55 -66.26 -26.80 19.06 0.31 80.63 5.74 6.01 8.85 75.87 3.17 0.06 0.13 0.15 78 V H H 72.04 8.98 21.50 30.60 93.09 60.75 -65.92 -38.40 12.52 0.24 87.24 2.77 2.51 7.90 83.44 3.05 0.10 0.13 0.10 79 D H H 70.13 5.69 23.90 29.65 92.78 49.33 -67.66 -36.66 8.33 0.33 91.34 3.23 1.51 4.34 87.05 3.51 0.06 0.21 0.10 80 L H H 6.63 22.92 16.56 39.55 92.30 52.35 -64.08 -42.72 2.90 0.11 96.99 0.83 0.52 1.68 95.14 1.73 0.02 0.06 0.02 81 G H H 7.86 16.85 16.77 34.31 91.67 51.72 -62.68 -41.97 3.38 0.12 96.50 0.90 0.47 2.11 94.14 2.28 0.02 0.08 0.02 82 T H H 91.97 2.42 21.94 23.76 92.23 49.56 -65.45 -40.30 3.48 0.09 96.43 0.66 0.42 2.42 93.51 2.88 0.03 0.06 0.02 83 A H H 45.09 11.12 17.75 29.28 92.23 52.21 -67.30 -34.41 7.50 0.10 92.40 0.60 0.74 6.28 89.85 2.40 0.05 0.05 0.04 84 C H H 23.88 18.06 14.13 32.03 95.67 42.38 -88.82 -8.09 47.46 0.16 52.38 1.23 2.98 42.69 50.40 2.46 0.06 0.06 0.13 85 G C T 58.81 1.61 20.20 20.86 94.54 -115.95 78.13 15.06 98.91 0.07 1.01 6.45 7.06 85.62 0.42 0.37 0.00 0.04 0.04 86 K C C 73.01 11.40 11.30 23.66 129.70 115.88 -117.35 155.98 98.14 1.01 0.85 56.33 38.04 3.68 0.23 0.61 0.00 0.37 0.74 87 Y C S 177.38 2.36 17.29 20.26 96.28 -136.11 -83.18 -10.07 96.65 1.38 1.97 34.76 55.02 6.91 0.27 1.75 0.00 0.74 0.56 88 Y C S 98.22 8.31 18.54 27.82 131.89 55.83 -124.05 158.76 93.61 3.62 2.77 27.18 59.20 7.36 0.32 2.53 0.00 2.50 0.91 89 R C C 107.71 11.18 22.38 33.29 112.82 -93.00 -73.46 135.00 84.53 12.87 2.60 67.77 12.45 3.80 0.45 2.57 0.00 10.03 2.91 90 V C C 10.19 24.05 17.91 41.92 119.08 -151.42 -105.35 132.33 70.88 28.73 0.39 66.25 3.87 0.43 0.12 0.29 0.00 26.02 3.02 91 C C S 23.39 17.23 26.05 43.03 99.04 -173.64 -93.71 -27.27 75.32 24.51 0.17 34.34 40.58 0.82 0.02 0.14 0.00 23.70 0.41 92 C E E 7.24 22.20 26.66 48.33 137.13 13.81 -148.51 145.77 11.02 88.78 0.20 9.04 1.82 0.27 0.04 0.11 0.00 88.37 0.35 93 L E E 4.08 25.70 25.82 50.78 127.26 -164.74 -127.69 137.41 2.16 97.80 0.04 1.89 0.17 0.02 0.01 0.01 0.00 97.83 0.07 94 S E E 13.07 19.52 27.76 46.32 122.00 -162.84 -113.89 136.32 0.91 99.05 0.03 0.77 0.05 0.01 0.01 0.01 0.00 99.12 0.03 95 I E E 10.36 22.96 20.30 43.15 116.58 -158.02 -108.81 123.39 3.14 96.84 0.02 3.04 0.09 0.01 0.01 0.01 0.00 96.52 0.31 96 L C E 64.45 11.89 22.40 34.29 99.18 -173.11 -87.55 -27.11 62.93 36.93 0.14 31.02 30.97 1.01 0.03 0.11 0.00 36.40 0.46 97 D C S 66.69 7.64 20.99 29.35 114.93 34.73 -125.52 105.20 92.91 6.45 0.63 31.43 58.78 2.67 0.26 0.30 0.00 5.92 0.65 98 P C T 61.04 14.07 14.62 28.96 93.76 -156.67 -64.93 -26.22 63.05 1.72 35.23 14.82 10.07 37.41 23.95 11.84 0.08 1.17 0.67 99 G C T 39.33 5.35 20.40 26.32 92.50 63.01 -66.01 -31.19 57.50 0.95 41.55 10.55 8.52 37.37 31.17 11.26 0.08 0.56 0.47 100 D H H 41.63 14.95 17.02 31.81 95.36 53.40 -83.66 -11.80 37.63 0.82 61.54 20.49 6.27 11.61 48.97 11.85 0.02 0.43 0.36 101 S H H 19.57 19.38 14.27 33.06 93.13 79.77 -63.33 -38.54 15.88 0.32 83.81 8.10 3.12 5.67 76.61 6.21 0.02 0.18 0.10 102 D H H 97.66 2.57 22.95 25.05 92.33 54.19 -65.27 -36.85 10.23 0.31 89.46 4.52 1.88 4.60 82.98 5.71 0.02 0.20 0.08 103 I H H 57.07 9.34 19.82 30.00 92.63 51.89 -65.43 -41.73 7.92 0.41 91.66 3.32 1.38 3.80 85.79 5.27 0.03 0.32 0.09 104 I H H 12.00 22.34 14.78 36.75 92.55 50.57 -65.67 -41.27 8.96 0.72 90.32 3.64 1.65 4.31 85.04 4.61 0.04 0.57 0.14 105 S H H 51.53 10.12 18.27 28.81 92.39 53.79 -66.12 -34.36 19.99 0.82 79.20 6.12 2.92 11.20 74.83 4.08 0.06 0.57 0.22 106 T H H 85.54 2.88 18.77 21.43 95.68 53.32 -75.72 -23.50 36.64 0.87 62.50 8.67 5.75 22.55 58.31 3.83 0.07 0.48 0.33 107 T C H 49.54 12.61 12.94 25.90 99.69 68.27 -77.46 -21.96 51.66 1.68 46.66 23.31 16.58 13.01 41.91 3.71 0.05 0.74 0.69 108 T C H 67.34 9.65 12.73 23.04 103.18 61.87 -83.88 2.84 56.73 2.43 40.84 30.11 10.88 16.56 34.57 5.62 0.03 1.30 0.93 109 T C C 88.30 4.49 11.39 17.47 106.40 85.70 -85.73 66.82 64.71 2.58 32.71 30.84 13.74 21.20 25.42 6.35 0.05 1.30 1.11 110 T C C 95.93 3.71 9.85 15.28 107.87 141.83 -88.64 81.15 80.14 1.30 18.56 63.26 2.63 14.59 14.89 3.25 0.00 0.73 0.65 111 Q C C 127.51 3.63 11.25 16.67 108.69 -147.45 -87.23 103.38 99.91 0.05 0.04 99.80 0.08 0.07 0.02 0.00 0.00 0.02 0.01