# 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 63.69 15.09 20.97 35.19 115.89 -137.70 -94.53 132.30 99.47 0.50 0.02 99.26 0.30 0.05 0.01 0.01 0.00 0.28 0.08 1 V C C 25.95 19.39 14.15 33.15 120.41 -132.09 -98.35 141.81 82.78 16.57 0.64 81.15 1.81 0.27 0.52 0.14 0.00 4.34 11.76 2 C C C 33.89 10.09 15.28 27.08 116.39 -109.74 -68.77 154.90 97.75 1.48 0.77 96.62 1.19 0.26 0.63 0.10 0.00 0.52 0.70 3 E H H 132.68 3.13 15.99 20.39 90.78 -108.55 -58.44 -37.95 11.55 0.10 88.35 1.94 1.71 8.21 83.15 4.83 0.06 0.05 0.06 4 K H H 124.09 2.59 17.39 20.22 91.81 53.43 -65.06 -37.80 11.16 0.19 88.65 1.03 1.16 9.15 81.84 6.51 0.12 0.12 0.07 5 C H H 14.97 17.75 12.17 30.16 93.45 48.34 -71.48 -34.52 9.20 0.32 90.48 1.71 1.16 6.35 82.28 8.11 0.08 0.23 0.09 6 E H H 75.81 12.83 14.81 27.72 91.87 60.65 -62.83 -39.70 5.63 0.39 93.98 1.71 0.79 3.25 87.86 5.97 0.04 0.31 0.07 7 K H H 150.11 1.36 19.66 20.02 91.91 53.15 -66.99 -35.73 14.24 0.31 85.44 1.67 0.94 11.22 76.00 9.78 0.06 0.25 0.08 8 K H H 96.86 8.83 17.36 26.72 94.04 50.42 -76.33 -25.71 20.92 0.20 78.89 1.74 1.40 17.40 73.48 5.71 0.07 0.12 0.09 9 L H H 32.98 20.10 13.13 32.06 99.69 64.06 -84.23 -10.49 40.17 2.05 57.78 15.31 7.88 19.28 51.23 4.12 0.20 0.91 1.07 10 G C C 37.65 7.94 20.58 28.57 105.53 142.45 -65.41 -47.86 86.22 9.64 4.15 50.57 23.84 12.16 2.65 1.56 0.01 7.65 1.55 11 T C C 71.14 7.97 20.92 29.36 122.01 18.63 -110.79 138.88 55.68 41.46 2.86 38.43 12.64 5.09 1.25 1.65 0.01 38.27 2.66 12 V E E 42.33 18.33 16.36 34.09 117.37 -140.54 -95.66 130.67 40.91 57.87 1.22 34.33 3.94 0.89 0.79 0.63 0.00 50.30 9.12 13 I C C 53.66 13.92 20.64 34.49 103.59 -159.24 -91.44 -12.45 56.70 42.58 0.72 43.73 11.26 1.19 0.35 0.48 0.00 37.93 5.04 14 T C C 31.25 15.31 18.15 33.68 128.32 32.10 -133.06 142.73 78.98 20.61 0.41 63.46 14.08 1.12 0.15 0.32 0.00 18.42 2.46 15 P C C 57.65 11.54 18.01 30.03 100.44 -127.28 -72.37 -3.40 85.43 9.11 5.45 42.12 31.96 12.08 2.51 2.79 0.01 6.42 2.10 16 D C C 49.74 10.73 15.63 27.45 111.96 66.66 -98.02 120.99 85.21 6.34 8.44 51.56 21.49 12.14 4.18 4.12 0.01 3.21 3.28 17 T C T 73.10 7.86 15.83 24.78 96.86 -156.87 -69.24 -24.91 71.19 4.64 24.18 27.26 17.31 28.03 9.94 12.69 0.07 2.25 2.45 18 W C T 136.93 8.44 14.37 23.40 96.30 61.09 -71.38 -24.67 68.89 3.41 27.70 14.34 16.65 38.38 10.96 15.73 0.17 1.72 2.04 19 K C T 106.49 8.26 13.81 22.70 100.09 48.17 -87.68 -7.06 67.79 4.02 28.19 18.12 17.96 32.68 10.89 15.82 0.15 1.97 2.40 20 D C T 89.92 5.47 16.11 22.39 103.04 67.16 -87.81 27.26 75.48 4.18 20.34 21.04 18.52 36.69 8.47 10.77 0.10 2.02 2.41 21 G C C 31.86 9.83 15.33 25.71 109.24 -72.67 78.40 -13.78 79.42 5.14 15.44 33.85 17.45 29.17 4.56 9.93 0.04 2.56 2.45 22 A C C 42.43 13.15 13.68 26.78 102.14 50.14 -76.67 9.37 70.53 7.75 21.72 40.31 13.17 17.61 5.88 15.37 0.03 4.37 3.25 23 R C C 128.99 7.21 17.14 24.99 107.41 109.33 -85.88 76.32 67.73 11.95 20.32 31.51 16.85 21.07 5.94 13.21 0.15 6.71 4.57 24 N C C 79.88 9.07 14.48 24.33 107.64 85.07 -89.69 90.83 73.51 12.24 14.24 42.45 17.49 14.31 4.60 9.38 0.07 7.11 4.59 25 T C C 69.87 9.62 12.42 22.66 107.00 131.14 -93.49 20.25 75.30 16.59 8.11 49.02 17.09 8.50 4.33 4.02 0.05 8.64 8.36 26 T C C 96.67 3.90 13.23 18.25 104.49 62.06 -91.99 2.47 77.92 13.98 8.10 45.98 21.22 11.14 3.83 4.30 0.05 7.55 5.94 27 E C C 119.77 4.54 11.54 17.74 114.35 84.75 -94.36 134.89 80.00 8.21 11.79 34.38 22.47 24.54 3.25 7.87 0.04 4.54 2.92 28 S C T 86.58 2.94 11.96 16.42 110.43 -101.72 -85.37 122.31 85.94 5.01 9.05 31.82 21.62 33.23 2.00 6.68 0.01 2.80 1.83 29 G C C 47.74 4.74 12.63 18.88 112.54 38.68 107.86 -15.58 88.53 4.84 6.62 35.11 27.35 26.45 1.18 5.48 0.00 2.71 1.71 30 G C C 41.95 7.21 13.37 21.58 119.38 -112.74 -84.14 174.75 85.57 10.27 4.16 48.63 27.02 10.45 1.12 3.11 0.01 6.42 3.25 31 R C C 112.83 9.71 13.35 23.82 118.38 -110.61 -100.61 136.60 76.25 20.58 3.16 59.63 12.11 3.33 1.60 1.85 0.01 13.42 8.04 32 K C C 108.46 7.08 17.00 24.85 116.30 -135.45 -85.32 139.93 64.52 32.02 3.46 55.88 5.34 1.70 2.35 1.37 0.01 14.53 18.82 33 L C T 75.28 12.94 13.84 26.64 104.40 -109.16 -68.41 135.87 67.11 6.43 26.46 17.36 11.25 38.48 10.28 15.90 0.18 4.18 2.37 34 N C T 89.43 8.49 17.41 26.28 97.03 33.22 -6.83 7.02 67.83 3.55 28.62 16.51 11.28 39.63 11.95 16.87 0.12 2.14 1.50 35 E C C 87.97 9.04 17.50 27.08 99.35 99.34 -80.14 -17.50 63.26 5.08 31.65 30.16 17.25 16.86 14.48 16.13 0.13 2.50 2.48 36 N C C 46.14 15.64 14.32 29.52 107.78 70.11 -93.95 88.67 71.46 5.67 22.87 44.79 13.37 13.10 14.90 7.82 0.04 2.69 3.29 37 K H H 107.87 8.54 19.31 28.10 97.61 139.44 -73.92 -20.52 43.25 5.62 51.13 19.31 9.21 15.84 30.82 18.92 0.37 3.32 2.21 38 A H H 40.06 12.61 18.14 30.82 95.68 67.22 -71.25 -26.67 40.71 4.96 54.33 10.73 7.56 21.65 31.87 22.93 0.44 3.40 1.43 39 L H H 45.48 16.63 16.18 32.06 100.38 53.75 -86.81 -2.27 41.50 7.00 51.50 13.11 8.64 20.11 30.17 20.61 0.62 4.54 2.21 40 T C C 59.43 10.82 16.42 27.67 106.39 71.55 -93.64 24.35 55.67 8.54 35.79 26.23 15.00 16.12 23.17 10.97 0.38 4.36 3.76 41 S C C 47.83 8.48 13.96 23.70 114.20 102.92 -88.99 143.74 74.61 5.63 19.76 38.17 22.83 14.37 12.18 7.02 0.07 2.56 2.80 42 K C T 137.53 5.03 14.10 20.67 95.95 -121.62 -67.29 -23.25 62.54 3.06 34.40 21.20 18.16 24.42 14.64 18.36 0.11 1.48 1.63 43 K C T 133.91 4.02 15.32 20.33 95.11 60.83 -73.55 -23.67 57.14 3.29 39.57 19.78 15.19 23.52 14.62 23.43 0.13 1.65 1.67 44 A C C 43.79 11.75 12.82 25.08 103.80 61.11 -86.27 6.63 56.15 4.64 39.21 30.90 11.20 14.99 12.77 25.70 0.03 2.58 1.82 45 R C C 115.10 9.86 17.64 27.62 99.09 108.53 -81.22 -22.10 64.06 8.81 27.13 33.11 16.55 15.60 9.18 17.15 0.08 5.19 3.14 46 F C C 65.41 14.14 16.76 30.98 116.43 52.52 -105.76 126.33 58.00 31.91 10.09 34.34 16.36 6.30 4.81 4.98 0.21 9.86 23.14 47 D C C 45.36 11.19 19.35 31.36 110.77 -165.39 -108.18 107.78 94.71 5.02 0.27 85.93 8.14 0.57 0.11 0.15 0.00 2.47 2.64 48 P C T 33.58 17.08 15.54 33.03 93.36 -164.49 -68.05 -21.39 96.97 0.61 2.42 7.40 12.03 77.40 0.36 2.13 0.00 0.41 0.27 49 Y C T 99.13 10.22 16.20 27.24 98.40 52.29 -93.67 0.96 95.76 1.53 2.71 5.10 15.08 75.46 0.43 2.33 0.00 0.99 0.60 50 G C S 30.71 9.28 13.26 23.42 113.55 94.28 -75.24 141.64 90.81 4.61 4.58 37.95 42.31 10.24 0.85 3.77 0.00 1.92 2.96 51 K C C 150.97 3.07 13.74 17.95 100.04 -112.04 -85.20 -10.48 88.99 3.51 7.50 43.33 25.42 20.33 1.68 5.67 0.00 1.66 1.90 52 N C C 98.87 4.40 13.20 19.08 114.01 70.11 -91.32 130.82 82.23 6.13 11.64 36.11 24.06 22.67 2.54 8.60 0.02 2.80 3.21 53 K C C 121.88 7.15 14.07 22.25 101.07 -119.29 -76.85 -3.43 76.49 6.10 17.40 36.37 21.13 19.73 3.62 13.04 0.02 2.81 3.28 54 F C C 87.32 12.25 12.95 25.24 105.73 69.55 -90.52 61.31 75.97 5.28 18.75 38.07 19.66 18.62 3.06 15.49 0.01 2.70 2.40 55 S C C 59.29 7.78 17.74 26.13 104.67 94.06 -90.46 31.47 79.19 6.23 14.58 46.66 18.98 13.54 2.33 12.48 0.00 4.14 1.86 56 T C C 65.36 9.27 19.24 28.88 123.61 31.64 -107.02 141.62 66.02 26.09 7.89 47.08 10.84 4.14 2.84 5.16 0.02 9.72 20.20 57 C C C 13.43 20.88 12.17 32.95 112.94 -120.21 -80.10 133.41 88.44 10.64 0.91 84.07 3.13 0.61 0.56 0.31 0.00 4.71 6.61 58 R C T 132.12 5.52 21.54 27.92 94.85 -145.37 -72.41 -27.11 95.82 1.98 2.19 8.28 37.16 50.49 0.58 1.30 0.00 0.98 1.21 59 I C T 52.43 13.79 18.24 31.91 98.70 45.39 -79.91 -39.77 93.76 4.28 1.96 1.72 21.36 71.26 0.31 1.18 0.01 2.31 1.84 60 C C T 30.04 15.07 15.89 31.16 99.97 32.08 -96.36 -10.33 78.81 18.87 2.32 6.21 18.25 56.06 0.49 1.59 0.05 10.96 6.39 61 K C C 130.54 6.09 18.99 26.21 96.34 -124.84 64.32 24.21 88.93 9.12 1.95 44.18 28.59 16.39 0.38 1.63 0.00 5.94 2.88 62 S C S 38.71 10.27 15.14 26.74 124.57 127.26 -105.88 155.22 87.97 10.19 1.84 37.44 40.28 10.53 0.23 1.85 0.00 7.84 1.82 63 S C C 68.34 6.66 19.01 26.59 113.48 -117.91 -90.53 127.58 63.15 34.63 2.22 44.84 13.68 4.56 0.51 1.92 0.00 18.32 16.16 64 V C C 35.03 16.97 13.19 29.98 115.84 -168.76 -106.19 126.21 75.25 24.38 0.37 63.89 10.04 0.92 0.12 0.29 0.00 15.71 9.03 65 H C C 110.96 7.55 16.44 24.98 111.69 -143.35 -93.03 117.22 89.08 10.70 0.22 76.57 11.57 0.89 0.06 0.18 0.00 7.16 3.57 66 Q C C 75.41 9.20 12.33 22.87 121.52 154.84 -113.34 132.86 93.97 5.85 0.18 70.22 22.72 0.90 0.06 0.13 0.00 2.30 3.66 67 P C T 116.05 1.64 14.84 17.08 109.32 -96.22 -59.88 134.36 98.96 0.47 0.57 0.85 4.43 93.81 0.03 0.46 0.00 0.31 0.10 68 G C T 56.75 2.48 15.70 18.78 95.63 17.26 83.69 -1.50 99.39 0.23 0.38 1.02 4.39 94.03 0.02 0.35 0.00 0.17 0.03 69 S C C 27.06 14.98 11.88 27.18 124.32 103.11 -107.22 146.10 88.45 10.92 0.62 75.14 11.04 2.03 0.10 0.72 0.00 8.54 2.44 70 H C C 88.98 10.87 20.49 31.51 108.34 -163.00 -110.68 24.59 58.08 41.59 0.33 46.50 9.72 1.33 0.09 0.33 0.00 36.77 5.27 71 Y E E 53.99 16.30 20.66 36.66 128.73 90.59 -120.65 148.53 30.72 68.78 0.50 22.78 6.90 1.08 0.22 0.37 0.00 54.49 14.14 72 C C C 13.11 20.80 17.96 38.72 114.60 -122.49 -91.14 128.94 58.52 40.85 0.63 53.68 3.03 0.81 0.23 0.42 0.00 34.69 7.14 73 Q C C 73.31 11.98 23.03 34.80 109.88 -137.31 -84.24 123.15 78.59 12.41 9.00 32.50 23.16 24.79 2.90 5.32 0.11 8.30 2.91 74 G C T 30.48 10.08 22.85 32.72 102.75 10.44 72.23 -18.89 79.84 5.13 15.03 13.65 30.80 36.76 6.12 7.25 0.22 2.70 2.48 75 C C C 19.58 15.70 19.69 35.81 103.67 75.71 -81.40 22.31 71.08 7.09 21.83 37.65 15.04 19.06 12.01 8.93 0.11 3.36 3.83 76 A H H 10.42 20.17 18.52 38.51 95.56 76.62 -67.99 -30.85 42.95 12.28 44.77 13.60 10.81 19.09 27.23 13.82 2.97 5.55 6.95 77 Y H H 66.04 17.58 18.67 34.93 93.84 59.58 -68.45 -31.72 39.50 11.46 49.04 9.22 8.59 21.55 25.54 20.90 2.70 7.05 4.46 78 K H H 130.42 4.57 21.48 26.43 95.23 50.34 -74.34 -33.80 39.40 9.54 51.06 7.68 8.38 22.91 27.03 22.45 2.05 5.89 3.61 79 K C T 108.52 6.27 21.53 28.13 99.09 30.66 -96.14 -3.34 55.74 2.99 41.28 7.29 10.20 37.38 21.86 19.39 0.50 1.66 1.73 80 G C T 14.58 16.31 18.79 35.19 97.18 -118.34 71.29 25.05 95.95 2.95 1.10 26.33 18.50 51.28 0.41 0.62 0.00 2.36 0.48 81 I E B 29.50 14.50 22.29 37.66 128.23 132.28 -120.92 144.84 10.55 89.39 0.06 8.29 0.77 0.06 0.04 0.01 0.00 20.44 70.37 82 C C C 7.31 21.02 18.16 40.07 109.91 -112.66 -73.18 128.07 76.73 23.24 0.03 80.35 0.56 0.02 0.01 0.01 0.00 13.24 5.80 83 A C T 29.69 15.46 21.07 37.02 92.59 -144.77 -68.73 -24.32 99.77 0.10 0.14 0.34 1.99 97.49 0.00 0.11 0.00 0.06 0.02 84 M C T 75.22 12.32 20.70 32.58 99.68 44.12 -80.96 -42.28 99.85 0.02 0.12 0.02 0.62 99.26 0.00 0.09 0.00 0.01 0.00 85 C C T 60.20 7.07 19.79 27.71 101.72 18.11 -109.11 -12.59 99.86 0.04 0.10 0.09 1.43 98.37 0.00 0.09 0.00 0.01 0.00 86 G C C 30.49 11.68 15.94 28.22 94.49 -121.31 78.78 8.33 99.23 0.71 0.05 86.02 7.32 5.95 0.01 0.05 0.00 0.39 0.27 87 K C C 95.99 6.18 19.43 26.86 118.62 144.73 -78.63 143.21 93.57 6.39 0.04 89.33 4.62 0.08 0.01 0.03 0.00 4.63 1.30 88 K E B 104.68 10.19 19.92 30.53 111.80 -106.66 -70.57 134.08 4.80 95.18 0.02 4.22 0.20 0.00 0.02 0.00 0.00 20.79 74.77 89 V C C 24.71 20.25 14.53 34.32 111.10 -154.19 -95.93 117.41 85.29 14.43 0.28 81.94 3.13 0.42 0.05 0.26 0.00 12.46 1.75 90 L C C 64.91 12.08 18.53 30.64 112.54 101.47 -90.97 135.56 92.62 5.92 1.46 64.06 23.79 4.77 0.23 1.54 0.00 3.95 1.65 91 D C C 85.78 6.02 19.00 25.78 105.11 -10.21 -90.72 91.68 93.91 4.33 1.76 77.73 10.81 4.84 0.34 1.76 0.00 2.55 1.98 92 T C C 34.50 17.53 10.19 26.83 104.87 168.90 -93.51 36.88 66.68 4.38 28.94 45.95 7.70 10.91 1.82 29.63 0.00 2.59 1.41 93 K C T 153.89 2.46 16.52 19.55 94.54 116.24 -71.38 -19.93 64.16 2.95 32.89 8.49 10.45 42.81 1.39 34.00 0.01 1.87 0.97 94 N C T 105.12 3.98 16.28 21.08 98.18 48.53 -95.69 7.56 60.94 3.69 35.37 10.04 9.80 38.98 1.22 36.50 0.00 2.91 0.55 95 Y C C 56.32 18.06 9.69 26.76 116.79 106.69 -87.50 131.46 80.03 17.47 2.51 67.94 9.91 1.80 0.98 1.57 0.00 12.46 5.34 96 K C C 128.04 4.03 19.13 24.02 117.79 -164.79 -106.99 131.05 69.75 28.29 1.96 64.37 3.04 1.53 0.93 0.97 0.00 20.55 8.61 97 Q C C 85.10 13.66 12.36 25.71 112.30 -129.09 -79.49 134.99 71.06 24.34 4.60 56.60 8.01 5.92 1.45 3.20 0.01 20.96 3.85 98 T C C 71.26 7.84 13.11 22.10 116.82 -148.46 -96.75 144.71 75.06 20.67 4.27 55.30 10.25 8.92 1.19 3.27 0.01 17.72 3.35 99 S C C 79.80 4.43 11.64 17.76 106.90 -126.49 -87.49 77.73 79.79 17.25 2.96 67.68 4.95 7.12 0.91 1.93 0.00 13.46 3.94 100 V C C 92.28 6.64 12.61 20.54 110.50 90.84 -94.50 99.36 99.59 0.38 0.03 99.42 0.21 0.08 0.01 0.01 0.00 0.24 0.03