# 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 127.09 3.73 11.01 16.60 114.90 -155.93 -97.28 127.59 99.80 0.18 0.01 99.78 0.08 0.03 0.00 0.00 0.00 0.09 0.02 1 V C C 97.09 4.75 8.04 14.65 116.93 -153.06 -98.60 134.14 87.80 8.55 3.66 85.21 1.09 2.40 1.40 1.48 0.00 6.38 2.03 2 Q C C 132.92 2.52 9.42 13.78 116.69 -151.90 -99.12 132.00 79.26 15.45 5.30 60.37 12.59 5.92 1.56 3.78 0.00 13.52 2.26 3 R C C 146.96 4.44 9.87 16.36 121.02 -163.96 -113.88 137.94 73.39 20.43 6.18 59.42 9.06 4.50 2.03 4.23 0.00 17.62 3.13 4 L C C 93.36 7.47 10.13 19.18 116.27 -134.73 -92.98 131.75 73.66 22.71 3.63 64.52 6.03 2.26 1.59 1.97 0.00 19.51 4.13 5 T C C 76.73 6.32 12.88 20.85 119.46 -164.72 -107.89 135.54 76.63 20.52 2.85 60.81 11.60 3.48 1.19 1.74 0.00 17.77 3.41 6 Y C C 122.71 7.81 11.88 21.11 119.11 -145.74 -104.53 128.79 78.59 19.32 2.09 60.23 14.52 3.34 0.87 1.37 0.00 15.45 4.22 7 R C C 133.08 6.45 12.17 20.37 118.15 -164.21 -108.27 131.45 84.91 14.01 1.08 73.29 9.04 1.96 0.42 0.68 0.00 11.47 3.14 8 R C C 140.92 5.46 12.12 19.34 117.17 -151.34 -100.30 134.10 87.86 11.09 1.04 75.86 9.58 2.00 0.40 0.66 0.00 7.96 3.54 9 R C C 136.07 6.10 11.57 19.32 116.24 -135.81 -93.43 136.44 91.35 7.40 1.25 81.18 8.25 1.76 0.48 0.73 0.00 4.46 3.15 10 L C C 91.78 7.44 10.96 19.67 108.09 -118.24 -76.63 130.91 87.42 3.50 9.08 69.55 9.18 7.59 1.50 8.65 0.00 2.04 1.49 11 S C T 79.41 3.50 12.98 17.87 98.92 -132.28 -74.62 -15.28 84.47 2.45 13.08 27.06 24.28 33.01 1.59 11.79 0.00 1.28 0.97 12 Y C T 128.20 6.61 12.22 20.13 102.82 59.58 -94.47 12.49 80.66 5.70 13.64 29.35 21.32 30.74 2.01 11.39 0.01 2.90 2.27 13 N C C 71.05 10.36 10.56 21.84 112.36 105.20 -91.49 120.83 88.79 5.97 5.24 68.32 15.14 4.78 1.65 3.68 0.00 3.11 3.32 14 T C C 58.15 7.31 12.27 21.21 125.98 -163.78 -112.22 160.87 86.61 8.22 5.17 62.14 17.95 5.51 2.09 3.10 0.00 3.23 5.98 15 A C T 88.89 2.44 14.04 17.60 94.22 -105.33 -67.49 -24.86 76.43 1.98 21.58 12.43 22.83 41.74 2.28 18.65 0.01 1.05 1.00 16 S C T 63.60 5.56 13.69 20.50 98.03 58.45 -83.70 -6.81 76.79 2.72 20.49 13.54 19.77 43.63 1.92 18.53 0.01 1.63 0.98 17 N C C 64.20 13.09 11.91 24.92 112.80 91.97 -88.42 118.89 71.44 10.91 17.65 38.70 20.13 13.81 2.09 15.46 0.01 7.85 1.96 18 K C C 98.46 6.67 17.51 25.18 117.81 -154.56 -98.00 135.73 66.15 32.91 0.94 55.52 7.28 1.91 0.21 0.74 0.00 33.10 1.24 19 T E E 60.79 13.41 13.67 27.21 123.90 -155.85 -113.17 138.10 13.08 86.86 0.06 12.23 0.68 0.08 0.02 0.03 0.00 86.61 0.35 20 R E E 100.62 7.34 17.41 26.18 128.48 -174.79 -129.80 146.55 1.76 98.22 0.01 1.69 0.08 0.01 0.00 0.00 0.00 98.14 0.07 21 L E E 88.64 8.37 15.51 25.11 115.92 -124.14 -88.72 132.43 1.29 98.71 0.00 1.26 0.03 0.00 0.00 0.00 0.00 98.67 0.03 22 S E E 29.76 11.18 13.27 26.02 130.82 -174.67 -128.91 154.11 2.13 97.87 0.01 1.96 0.08 0.01 0.00 0.00 0.00 97.90 0.05 23 R E E 149.67 3.72 14.86 20.13 115.84 -124.65 -98.32 129.93 7.41 92.57 0.02 6.75 0.47 0.04 0.01 0.01 0.00 92.05 0.67 24 T C C 35.76 11.82 8.41 21.01 122.90 -148.47 -90.78 161.56 90.82 9.05 0.13 89.31 1.26 0.24 0.02 0.08 0.00 8.59 0.49 25 P C T 103.12 2.80 11.81 15.95 107.93 -88.14 -62.44 136.69 88.11 1.21 10.67 1.95 6.60 77.45 0.23 12.66 0.00 0.87 0.24 26 G C T 59.29 1.42 11.76 13.30 97.28 18.55 76.26 -1.25 88.98 0.22 10.81 0.99 5.05 80.61 0.21 12.93 0.00 0.12 0.08 27 N C S 123.76 2.23 11.65 15.24 96.71 -94.35 73.35 15.65 90.12 1.15 8.72 15.64 53.89 19.54 0.45 9.40 0.00 0.65 0.44 28 R C C 117.16 4.70 11.53 18.32 118.57 136.79 -89.90 141.49 76.12 23.73 0.15 71.36 3.53 0.42 0.04 0.11 0.00 23.08 1.45 29 I E E 78.92 8.06 13.43 23.31 115.43 -130.10 -93.23 128.17 2.92 97.08 0.00 2.71 0.10 0.00 0.00 0.00 0.00 97.04 0.14 30 V E E 37.75 11.61 14.64 28.10 122.99 -169.12 -118.79 136.32 0.38 99.62 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.00 31 Y E E 69.62 11.49 16.62 29.60 118.13 -147.74 -105.85 129.27 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 32 L E E 47.10 11.50 17.60 30.60 118.75 -160.83 -108.44 128.68 0.70 99.29 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.31 0.02 33 Y E E 62.04 13.03 16.07 30.17 121.12 -165.85 -112.91 132.76 9.89 90.09 0.02 9.20 0.42 0.03 0.01 0.01 0.00 90.02 0.31 34 T E E 54.24 9.79 17.13 28.05 118.26 -162.04 -107.96 129.76 45.96 53.57 0.46 40.68 3.94 0.67 0.15 0.31 0.00 52.80 1.44 35 K C C 101.14 9.85 13.93 24.65 112.77 -151.89 -93.18 127.94 77.14 21.84 1.02 59.74 15.00 2.40 0.30 0.80 0.00 19.01 2.75 36 K C C 118.78 5.06 14.96 21.40 118.28 -130.46 -94.83 136.27 87.90 10.81 1.28 69.68 14.90 3.25 0.37 1.04 0.00 7.20 3.57 37 V C T 96.73 6.54 12.72 20.79 111.30 -109.19 -72.46 135.03 91.05 6.68 2.27 26.92 19.05 45.62 0.39 1.89 0.00 4.15 1.98 38 G C T 43.48 6.28 14.11 21.57 109.80 17.51 86.40 -1.29 95.23 3.49 1.28 23.44 23.65 48.34 0.16 1.25 0.00 2.41 0.75 39 K C C 133.94 3.49 17.16 21.99 120.55 106.56 -107.93 138.50 90.51 8.84 0.65 62.49 25.52 2.40 0.17 0.55 0.00 3.64 5.23 40 A C C 40.98 14.94 12.45 27.31 120.73 -115.39 -83.91 146.85 94.19 5.62 0.19 74.61 19.05 0.78 0.06 0.15 0.00 3.19 2.16 41 P C C 44.48 13.03 14.51 28.40 115.43 -101.24 -65.33 149.50 95.45 4.17 0.38 85.79 8.27 1.51 0.08 0.31 0.00 2.60 1.44 42 K C C 145.63 3.79 18.47 23.60 109.35 -129.79 -83.88 119.98 82.72 16.27 1.00 65.25 14.02 2.07 0.39 0.71 0.00 7.72 9.84 43 S C C 42.26 12.70 15.06 28.11 126.81 48.37 -121.18 143.07 80.22 18.54 1.24 66.41 10.07 2.76 0.36 1.04 0.00 13.08 6.28 44 A C C 56.33 8.62 19.39 28.52 118.25 -155.93 -107.39 143.58 70.47 28.00 1.54 43.72 21.47 4.99 0.44 1.30 0.00 16.44 11.63 45 C C C 28.29 17.86 12.54 29.93 112.02 -121.37 -95.32 120.50 71.47 26.70 1.83 37.68 22.40 11.58 0.56 1.56 0.01 14.03 12.19 46 G C T 47.50 4.92 18.78 24.02 98.33 -138.29 -41.59 -31.83 97.24 1.88 0.88 4.06 42.87 50.49 0.06 0.86 0.00 1.24 0.43 47 V C T 82.58 7.69 17.26 25.57 100.13 28.78 -94.79 -21.83 97.02 2.11 0.87 2.87 47.13 47.37 0.07 0.68 0.00 1.30 0.57 48 C C S 29.59 15.65 10.57 26.21 117.11 46.63 -121.41 108.34 82.73 16.62 0.65 21.70 57.66 3.57 0.14 0.51 0.00 7.34 9.07 49 P C T 101.69 2.88 17.41 20.98 103.77 -137.35 -66.87 53.36 89.15 8.29 2.55 14.63 30.61 43.94 0.24 2.65 0.00 6.45 1.47 50 G C T 40.33 5.63 18.02 24.28 117.46 35.00 84.71 -13.13 87.06 9.49 3.44 14.35 33.43 39.56 0.47 3.07 0.01 7.45 1.66 51 R C C 117.23 9.12 19.11 28.41 116.53 -55.96 -86.79 137.76 73.60 24.00 2.40 56.23 12.98 3.08 0.77 1.81 0.00 10.11 15.01 52 L C C 12.08 23.82 11.71 35.06 111.34 -120.85 -88.18 125.35 79.67 18.46 1.88 71.41 5.09 1.72 0.59 1.35 0.00 9.23 10.61 53 R C T 140.28 5.18 23.18 29.11 111.82 -138.63 -76.27 133.13 88.64 8.95 2.41 16.72 15.16 57.05 0.50 1.93 0.01 6.24 2.40 54 G C T 29.85 10.51 21.19 31.50 99.71 21.83 90.62 -2.20 91.68 6.57 1.75 14.24 17.71 59.85 0.30 1.56 0.00 5.38 0.96 55 V C C 13.54 23.91 12.63 36.09 116.87 113.84 -89.90 129.28 76.99 22.45 0.56 66.39 9.18 0.73 0.26 0.37 0.00 15.43 7.63 56 R C C 122.04 6.00 24.31 30.79 120.38 -150.82 -101.62 140.33 62.59 36.98 0.43 59.81 2.17 0.40 0.23 0.22 0.00 27.37 9.79 57 A C C 49.37 14.75 16.86 31.16 114.33 -111.08 -72.02 138.22 73.04 26.44 0.52 65.77 6.47 0.59 0.30 0.28 0.00 20.28 6.31 58 V C C 33.23 15.17 13.61 29.31 126.39 -165.80 -120.37 149.39 88.64 10.85 0.51 78.21 10.47 0.39 0.38 0.17 0.00 5.46 4.93 59 R C C 123.71 3.35 19.17 22.35 115.88 -104.23 -72.99 147.60 98.83 0.60 0.57 94.85 3.80 0.27 0.50 0.07 0.00 0.25 0.25 60 P H H 72.33 9.39 11.42 22.08 91.64 -111.73 -57.40 -38.18 13.14 0.16 86.70 2.78 1.99 8.13 74.98 11.92 0.04 0.09 0.06 61 K H H 144.95 1.18 15.71 16.09 91.64 55.08 -64.63 -35.55 9.39 0.16 90.45 1.48 1.14 6.31 77.02 13.84 0.05 0.10 0.05 62 V H H 61.43 5.90 14.08 21.62 93.35 49.05 -69.18 -37.92 5.95 0.23 93.82 1.55 0.85 3.40 80.44 13.52 0.02 0.18 0.04 63 L H H 38.16 16.69 10.03 26.12 91.95 55.81 -64.49 -37.71 5.82 0.17 94.01 1.42 0.71 3.34 79.30 15.05 0.02 0.13 0.04 64 M H H 122.92 3.69 14.86 19.77 91.28 58.53 -69.03 -22.44 36.91 0.21 62.88 1.45 1.65 33.52 48.59 14.42 0.12 0.12 0.13 65 R C T 177.35 1.04 16.11 15.95 95.05 55.23 -88.71 -7.18 57.64 0.22 42.14 2.07 2.94 52.79 29.95 11.89 0.06 0.11 0.19 66 L C S 40.31 15.49 6.94 21.77 118.57 103.09 -77.46 146.02 94.35 0.96 4.69 37.36 54.23 2.55 3.80 0.88 0.00 0.24 0.94 67 S C C 60.60 2.40 16.59 18.72 118.06 -118.38 -77.31 156.19 96.03 2.28 1.70 92.19 2.60 0.75 1.01 0.44 0.00 0.64 2.37 68 K H G 131.94 7.27 10.93 19.78 92.11 -110.83 -59.93 -34.05 38.63 0.49 60.88 2.53 4.99 30.39 3.89 57.58 0.03 0.27 0.33 69 T H G 105.56 1.89 14.60 16.95 92.25 60.51 -71.12 -22.61 40.45 0.25 59.30 1.54 3.91 34.22 3.61 56.40 0.01 0.14 0.18 70 K H G 122.29 4.84 14.90 20.91 95.88 51.59 -88.45 -6.40 36.91 0.54 62.55 5.64 7.26 23.09 4.32 59.06 0.01 0.28 0.34 71 K C C 61.04 16.45 11.90 27.66 108.26 89.42 -85.45 105.94 89.22 2.03 8.75 63.96 21.33 3.80 4.82 3.54 0.00 0.69 1.86 72 H C C 98.51 6.93 19.84 27.60 124.53 143.71 -115.14 143.51 85.22 12.67 2.11 70.48 10.95 1.25 1.40 0.71 0.00 3.45 11.76 73 V C C 33.11 18.54 12.13 30.25 111.39 -128.84 -84.46 125.36 91.43 6.70 1.87 79.27 9.74 1.70 1.08 0.75 0.00 3.00 4.46 74 S C C 79.43 3.77 18.96 23.57 99.25 138.05 -99.40 -9.01 93.81 4.95 1.25 72.70 18.74 1.94 0.63 0.59 0.00 2.00 3.42 75 R C S 106.69 5.95 16.49 23.76 129.01 63.32 -113.20 159.24 82.03 8.16 9.80 22.11 49.53 9.49 3.91 4.63 0.22 2.40 7.70 76 A C T 61.20 9.93 15.03 25.61 93.83 -101.17 -63.29 -29.77 81.61 0.77 17.61 2.22 12.50 66.81 2.43 15.01 0.01 0.40 0.63 77 Y C T 124.76 8.39 15.59 24.73 97.42 42.49 -89.23 6.85 80.68 1.22 18.10 2.86 11.15 66.06 2.19 16.28 0.01 0.70 0.75 78 G C T 32.12 10.71 15.36 26.38 104.05 -110.77 68.95 9.42 75.91 6.68 17.42 22.13 24.08 29.58 3.94 13.01 0.11 2.70 4.46 79 G C T 31.67 9.54 16.26 26.27 121.90 18.77 91.52 -165.99 84.48 3.94 11.59 21.39 24.43 38.45 2.22 9.41 0.01 1.79 2.30 80 S C S 65.67 7.65 18.27 26.50 97.12 -53.97 -82.93 -10.88 83.87 5.06 11.07 15.08 37.49 32.11 2.61 7.73 0.02 2.79 2.17 81 M C S 63.33 12.97 16.72 29.88 121.45 80.99 -94.68 148.52 74.55 18.59 6.86 24.38 41.16 7.93 3.32 3.04 0.09 6.20 13.88 82 C C C 35.42 10.43 19.08 30.39 118.05 -102.33 -76.07 153.92 90.10 7.67 2.23 83.43 4.91 0.96 1.84 0.42 0.00 2.58 5.85 83 A H H 36.41 14.44 16.20 30.81 92.19 -112.18 -60.10 -36.42 3.39 0.01 96.59 0.65 0.56 2.02 96.09 0.66 0.00 0.01 0.01 84 K H H 123.51 3.30 23.11 26.63 91.85 54.01 -64.53 -40.31 1.63 0.01 98.37 0.18 0.15 1.21 97.72 0.73 0.00 0.00 0.00 85 C H H 31.54 9.27 20.13 30.60 92.18 48.92 -65.61 -41.97 0.99 0.01 99.00 0.19 0.10 0.65 98.22 0.84 0.00 0.00 0.00 86 V H H 9.35 20.27 16.86 37.54 91.92 50.15 -64.19 -43.58 0.39 0.00 99.61 0.13 0.04 0.18 99.53 0.11 0.00 0.00 0.00 87 R H H 87.61 11.27 21.02 32.15 91.51 50.92 -62.99 -42.45 0.33 0.00 99.67 0.07 0.02 0.19 99.66 0.05 0.00 0.00 0.00 88 D H H 74.35 3.44 23.34 26.29 91.76 49.62 -64.67 -41.44 0.28 0.00 99.72 0.07 0.02 0.15 99.72 0.03 0.00 0.00 0.00 89 R H H 79.55 10.57 20.75 31.54 92.03 49.31 -65.49 -41.31 0.24 0.00 99.76 0.05 0.02 0.14 99.76 0.03 0.00 0.00 0.00 90 I H H 26.65 18.30 18.02 36.28 92.05 48.96 -64.93 -42.51 0.19 0.00 99.81 0.05 0.01 0.09 99.82 0.02 0.00 0.00 0.00 91 K H H 95.72 8.20 21.13 29.48 91.56 50.23 -63.07 -42.23 0.16 0.00 99.84 0.04 0.01 0.08 99.84 0.02 0.00 0.00 0.00 92 R H H 125.29 3.06 22.51 25.07 91.86 48.99 -64.75 -41.66 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 93 A H H 23.33 10.56 18.64 30.69 91.69 50.02 -64.36 -41.97 0.18 0.00 99.82 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 94 F H H 51.63 13.78 18.23 32.30 92.13 49.00 -64.90 -41.95 0.38 0.00 99.62 0.03 0.02 0.26 99.65 0.04 0.00 0.00 0.00 95 L H H 77.94 5.74 19.96 26.02 91.85 49.56 -64.50 -41.25 0.76 0.00 99.24 0.07 0.04 0.53 99.30 0.06 0.00 0.00 0.00 96 I H H 81.71 3.51 20.42 23.74 91.95 49.14 -64.90 -42.13 0.84 0.00 99.16 0.12 0.06 0.53 99.21 0.07 0.00 0.00 0.00 97 E H H 65.02 8.86 18.22 27.87 92.03 49.34 -65.16 -41.38 0.51 0.00 99.49 0.07 0.03 0.30 99.53 0.06 0.00 0.00 0.00 98 E H H 61.81 10.68 16.83 28.17 91.82 50.72 -64.29 -40.64 0.45 0.00 99.55 0.05 0.03 0.27 99.57 0.07 0.00 0.00 0.00 99 Q H H 95.91 3.94 18.94 22.99 91.73 51.05 -64.89 -39.98 0.45 0.00 99.55 0.05 0.02 0.28 99.56 0.09 0.00 0.00 0.00 100 K H H 110.14 3.14 19.28 22.28 92.11 50.29 -65.79 -40.67 0.68 0.00 99.31 0.09 0.03 0.44 99.34 0.09 0.00 0.00 0.00 101 I H H 56.89 8.43 16.90 26.29 92.44 49.41 -65.13 -42.37 0.39 0.00 99.61 0.08 0.03 0.21 99.65 0.04 0.00 0.00 0.00 102 V H H 60.70 6.85 17.04 24.58 91.91 49.71 -64.07 -42.42 0.19 0.00 99.81 0.04 0.01 0.09 99.84 0.02 0.00 0.00 0.00 103 V H H 75.73 2.86 18.26 20.99 91.52 49.53 -63.90 -41.99 0.14 0.00 99.86 0.02 0.00 0.07 99.89 0.02 0.00 0.00 0.00 104 K H H 107.12 3.39 18.04 21.66 91.86 49.78 -65.06 -41.06 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 105 V H H 60.27 6.97 15.81 23.56 92.16 49.28 -64.67 -42.24 0.15 0.00 99.85 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 106 L H H 84.97 3.68 16.82 20.81 91.85 49.59 -64.41 -41.23 0.22 0.00 99.78 0.03 0.01 0.13 99.81 0.03 0.00 0.00 0.00 107 K H H 120.11 1.90 17.20 18.55 91.92 49.86 -64.94 -40.71 0.41 0.00 99.59 0.05 0.02 0.24 99.64 0.05 0.00 0.00 0.00 108 A H H 46.26 3.83 14.77 19.87 91.74 50.57 -64.10 -40.52 0.73 0.00 99.27 0.11 0.05 0.42 99.33 0.09 0.00 0.00 0.00 109 Q H H 95.75 3.17 15.01 18.58 91.86 50.22 -64.86 -40.00 1.44 0.01 98.55 0.26 0.11 0.84 98.61 0.17 0.00 0.00 0.00 110 A H H 58.66 2.02 13.68 16.04 92.05 50.75 -64.55 -39.77 2.69 0.01 97.29 0.58 0.24 1.56 97.23 0.37 0.00 0.00 0.00 111 Q H H 111.04 1.71 12.62 14.67 92.49 50.86 -66.54 -37.73 4.96 0.03 95.01 1.12 0.54 2.94 94.62 0.75 0.00 0.01 0.01 112 S H H 72.91 2.32 10.71 13.96 93.45 52.84 -68.39 -33.22 12.39 0.07 87.54 2.72 1.39 7.73 86.78 1.32 0.01 0.03 0.03 113 Q H H 137.77 1.16 10.14 11.77 94.61 54.07 -72.13 -26.98 27.62 0.18 72.19 6.34 3.34 17.52 70.99 1.63 0.02 0.07 0.10 114 K C H 159.58 1.04 9.20 10.68 98.78 56.90 -80.20 -10.96 51.91 0.31 47.78 25.47 1.69 22.69 48.60 1.26 0.00 0.12 0.17 115 A C C 78.22 2.88 9.82 14.27 105.26 85.50 -79.79 55.32 99.82 0.04 0.14 99.52 0.14 0.19 0.12 0.01 0.00 0.02 0.01