# 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 107.71 7.15 10.98 19.38 115.43 -165.75 -97.74 133.82 99.82 0.16 0.02 99.75 0.11 0.04 0.01 0.00 0.00 0.08 0.02 1 S C C 78.86 3.46 10.01 15.14 113.97 -162.39 -95.05 132.64 90.53 8.20 1.27 86.83 1.29 2.95 0.48 0.55 0.00 4.92 2.99 2 Y C C 159.95 3.95 8.90 14.61 110.96 -158.87 -95.67 110.70 88.35 10.10 1.55 60.61 22.41 5.31 0.54 1.10 0.00 5.88 4.15 3 R C C 148.29 3.67 9.87 15.37 116.78 -158.33 -99.00 131.67 93.16 5.96 0.88 68.27 23.57 1.73 0.35 0.52 0.00 3.68 1.88 4 P C C 82.87 6.57 9.44 17.55 111.17 -112.44 -69.58 142.32 90.42 3.48 6.10 71.99 9.88 8.62 2.45 3.44 0.00 2.20 1.42 5 N C C 111.36 3.51 11.32 16.38 109.80 -153.47 -93.65 107.07 86.73 3.36 9.91 63.25 12.98 10.31 4.74 5.05 0.00 1.66 2.00 6 Y C C 144.27 4.92 10.18 16.65 107.48 -128.67 -88.84 68.64 74.10 3.12 22.78 37.96 17.08 19.81 11.37 10.64 0.02 1.53 1.60 7 S C C 68.17 5.28 10.88 17.46 105.77 103.11 -86.50 47.31 69.13 2.62 28.25 37.18 14.83 17.61 16.73 10.99 0.02 1.24 1.40 8 A C C 64.38 5.93 10.10 17.50 99.08 75.31 -74.90 -19.82 56.08 2.05 41.88 30.17 14.02 12.71 26.20 14.87 0.04 0.98 1.01 9 S C C 75.08 3.29 12.13 16.72 99.88 62.62 -79.94 -7.83 57.48 2.13 40.38 33.48 10.66 13.42 25.28 15.02 0.03 1.12 0.97 10 R C C 146.15 4.15 11.54 17.15 101.21 59.26 -83.48 0.97 57.69 3.56 38.74 34.39 11.73 11.89 24.42 14.06 0.05 1.91 1.54 11 Y C C 126.22 6.91 9.57 17.87 109.98 62.29 -92.99 102.37 66.25 4.66 29.09 43.48 12.39 10.41 20.85 8.20 0.03 2.35 2.30 12 T C C 86.80 3.89 10.99 16.55 114.17 -153.96 -93.60 134.69 80.38 3.41 16.20 56.65 13.92 9.21 11.81 4.78 0.00 1.60 2.02 13 A C C 83.68 2.91 10.19 14.78 108.81 -106.36 -73.12 134.58 89.30 1.79 8.91 37.93 17.17 35.11 3.87 4.13 0.00 0.83 0.94 14 G C C 59.03 1.90 11.30 14.14 106.80 14.68 81.63 7.39 94.39 1.29 4.32 37.84 23.67 33.29 1.08 2.88 0.00 0.59 0.65 15 R C C 151.69 3.46 9.18 14.50 118.28 99.60 -94.12 138.44 95.94 2.53 1.54 61.73 31.79 2.47 0.59 0.83 0.00 0.93 1.65 16 P C C 93.08 3.53 10.53 15.69 113.47 -103.12 -70.15 148.20 95.70 1.70 2.60 75.94 10.52 9.19 0.74 1.78 0.00 0.87 0.95 17 A C C 81.35 3.60 9.93 15.34 110.03 -109.26 -75.73 132.11 94.05 2.46 3.48 59.49 25.90 8.64 1.21 2.11 0.00 1.04 1.61 18 Q C C 111.63 4.27 10.32 16.43 117.06 -122.23 -93.74 137.37 95.19 2.53 2.28 59.56 34.28 1.56 1.62 0.64 0.00 1.00 1.35 19 P C C 82.11 4.96 10.80 17.55 111.79 -105.60 -65.29 144.93 85.86 2.57 11.56 74.64 6.14 4.78 9.23 2.54 0.00 1.29 1.37 20 V H H 102.20 3.99 10.41 15.96 102.24 -126.35 -75.69 -25.14 47.67 1.47 50.86 29.43 10.17 9.67 40.96 8.38 0.02 0.72 0.65 21 R H H 159.93 2.55 12.24 15.79 99.71 49.03 -77.53 -21.34 36.47 1.86 61.67 20.40 8.37 9.98 49.58 9.92 0.06 1.04 0.66 22 T H H 76.62 5.17 11.69 18.19 100.62 53.92 -81.25 -19.67 32.31 2.13 65.55 21.26 5.57 7.39 54.27 9.52 0.03 1.35 0.61 23 A H H 56.23 6.88 10.90 19.19 101.67 57.92 -77.40 -23.27 28.39 1.92 69.70 19.40 5.56 6.06 61.16 6.10 0.03 1.15 0.55 24 R H H 141.32 4.10 13.30 18.63 106.16 55.73 -81.71 66.14 28.51 1.93 69.56 19.38 5.47 6.18 62.41 4.84 0.03 1.16 0.54 25 T H H 80.40 4.87 12.77 18.95 107.73 55.88 -87.39 89.09 31.30 2.10 66.60 21.43 5.29 6.74 60.12 4.56 0.02 1.27 0.58 26 M H H 104.58 5.99 12.11 19.42 103.99 60.03 -83.01 1.48 36.26 1.79 61.95 22.45 6.87 8.99 56.19 3.90 0.03 0.94 0.62 27 A H H 65.08 5.05 12.15 18.62 104.13 67.93 -80.63 -3.48 41.74 0.92 57.35 22.09 9.55 11.30 53.23 3.00 0.03 0.38 0.42 28 E H H 106.21 4.47 12.55 18.40 109.19 55.49 -84.80 110.84 46.25 0.51 53.24 27.87 9.79 8.36 51.30 2.24 0.01 0.19 0.23 29 P H H 82.79 3.62 12.75 17.60 94.90 -132.29 -63.63 -36.83 32.62 0.28 67.09 12.87 4.73 14.65 65.11 2.35 0.02 0.12 0.14 30 S H H 62.88 3.13 13.35 17.44 93.65 53.89 -67.80 -35.99 20.82 0.32 78.86 9.08 3.09 9.17 76.32 2.01 0.02 0.15 0.15 31 L H H 86.84 3.67 12.95 17.85 93.04 54.16 -66.36 -39.27 4.09 0.05 95.87 1.82 0.61 1.60 95.29 0.64 0.00 0.02 0.02 32 S H H 61.99 2.64 13.79 17.16 92.26 51.73 -64.60 -40.42 1.15 0.01 98.84 0.43 0.13 0.51 98.67 0.26 0.00 0.00 0.00 33 R H H 140.96 1.75 14.75 16.38 92.36 50.55 -65.73 -39.92 0.39 0.00 99.61 0.11 0.03 0.19 99.55 0.11 0.00 0.00 0.00 34 L H H 93.46 2.47 14.44 17.31 92.22 50.23 -65.18 -41.10 0.14 0.00 99.86 0.03 0.01 0.07 99.85 0.04 0.00 0.00 0.00 35 M H H 100.85 2.66 14.59 17.73 91.93 50.31 -64.32 -41.53 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 36 I H H 97.83 1.87 15.57 17.10 91.77 49.69 -64.28 -41.71 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 37 A H H 60.50 1.86 15.61 17.11 91.72 49.72 -63.86 -41.73 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 38 G H H 35.62 2.67 14.72 17.96 91.80 50.54 -64.08 -41.50 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 39 L H H 89.86 2.54 15.11 17.92 91.81 49.87 -64.76 -41.08 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 40 M H H 104.85 1.79 15.73 17.04 91.94 50.34 -64.48 -41.38 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 41 V H H 84.98 1.90 15.38 16.92 91.83 49.89 -64.64 -41.96 0.05 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 42 F H H 114.60 2.63 14.67 17.74 92.02 49.75 -64.92 -41.28 0.06 0.00 99.94 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 43 L H H 93.71 2.32 14.73 17.33 91.87 49.67 -64.50 -41.36 0.09 0.00 99.91 0.00 0.00 0.07 99.90 0.01 0.00 0.00 0.00 44 V H H 89.51 1.61 15.52 16.40 92.10 49.24 -64.94 -41.73 0.19 0.00 99.81 0.01 0.01 0.16 99.79 0.03 0.00 0.00 0.00 45 L H H 94.24 2.02 15.21 17.04 92.10 49.76 -65.23 -41.10 0.35 0.00 99.64 0.02 0.01 0.30 99.58 0.08 0.00 0.00 0.00 46 S H H 53.05 3.41 13.52 18.18 91.98 51.44 -64.40 -40.92 1.02 0.00 98.98 0.07 0.06 0.86 98.66 0.34 0.01 0.00 0.00 47 L H H 93.61 2.18 14.71 17.08 91.90 50.87 -64.44 -40.40 1.80 0.00 98.20 0.09 0.10 1.59 97.58 0.62 0.01 0.00 0.00 48 V H H 88.78 1.69 14.80 16.07 92.23 50.32 -65.00 -40.90 2.81 0.02 97.17 0.20 0.22 2.37 96.06 1.12 0.02 0.01 0.01 49 V H H 80.21 2.73 13.18 16.69 92.56 50.39 -65.44 -40.55 4.76 0.06 95.18 0.48 0.47 3.79 92.69 2.46 0.05 0.03 0.02 50 L H H 94.12 3.13 12.10 16.49 92.75 51.39 -66.05 -38.13 9.41 0.10 90.49 0.94 0.86 7.59 86.85 3.56 0.09 0.06 0.05 51 L H H 114.44 1.82 12.10 14.46 93.92 51.59 -70.46 -28.51 19.02 0.23 80.76 2.17 2.10 14.90 76.30 4.10 0.17 0.12 0.14 52 A H H 77.66 2.09 11.00 14.03 96.63 58.01 -75.11 -15.31 47.76 0.46 51.78 3.88 5.30 37.68 47.33 5.09 0.16 0.21 0.36 53 G C T 56.38 2.23 11.75 14.93 100.32 10.35 27.33 1.62 72.78 0.53 26.68 9.57 8.74 53.31 23.47 4.28 0.02 0.23 0.38 54 R C C 148.03 3.54 9.77 15.12 108.58 112.12 -88.74 87.27 86.37 2.60 11.03 45.72 25.41 15.47 7.17 3.41 0.01 0.93 1.88 55 L C C 108.67 3.89 10.18 15.97 115.53 2.42 -93.28 131.98 97.67 1.75 0.58 69.00 27.77 1.02 0.31 0.24 0.00 0.73 0.92 56 P C C 94.93 3.61 11.04 16.41 111.60 -106.76 -71.65 142.86 98.68 0.89 0.43 94.34 3.55 0.91 0.14 0.21 0.00 0.43 0.42 57 F C C 130.54 5.97 9.58 17.23 113.74 -143.60 -90.30 132.41 97.02 2.62 0.35 88.98 7.07 0.63 0.14 0.18 0.00 0.88 2.13 58 T C C 99.53 2.73 12.97 17.29 118.36 -142.46 -100.22 135.91 98.86 1.04 0.10 90.27 8.40 0.27 0.03 0.05 0.00 0.46 0.52 59 P C C 78.52 8.60 10.17 19.90 113.87 -106.68 -67.15 146.06 98.92 0.86 0.21 91.43 6.81 0.73 0.06 0.12 0.00 0.39 0.46 60 Q C C 119.35 4.29 13.59 19.54 117.46 -136.17 -100.50 134.81 98.34 1.46 0.20 91.97 5.92 0.53 0.07 0.10 0.00 0.73 0.68 61 P C C 82.16 7.91 11.52 20.58 114.17 -107.16 -67.63 144.80 96.40 2.80 0.80 86.92 7.91 1.55 0.28 0.45 0.00 1.46 1.44 62 A C C 63.60 6.69 11.52 19.74 115.18 -121.00 -87.84 135.49 94.91 4.08 1.01 85.80 8.08 1.10 0.51 0.44 0.00 2.27 1.81 63 P C C 89.45 5.36 11.37 18.41 112.12 -112.15 -69.55 142.18 93.04 3.71 3.25 80.61 8.96 3.56 1.49 1.58 0.00 2.36 1.43 64 V C C 100.11 4.55 9.87 16.33 115.37 -146.53 -98.47 127.64 92.88 3.18 3.95 74.77 13.43 4.48 2.31 1.61 0.00 1.66 1.73 65 T C C 95.98 3.46 9.84 15.10 110.14 -136.36 -83.35 131.07 89.06 1.83 9.11 65.20 12.11 11.58 5.51 3.65 0.00 0.98 0.97 66 G C C 58.59 1.91 11.42 14.26 102.97 -27.36 64.99 -11.18 77.64 1.03 21.33 40.11 18.70 19.16 14.66 6.27 0.01 0.41 0.68 67 N C C 103.41 3.81 10.54 15.88 108.56 85.62 -90.75 106.79 63.46 1.08 35.46 29.57 17.39 17.50 27.68 6.80 0.02 0.43 0.62 68 T C C 76.57 4.02 12.33 17.58 107.25 -118.39 -83.52 117.68 56.54 1.50 41.96 37.72 7.65 11.14 37.22 4.86 0.01 0.70 0.70 69 Y H H 107.06 9.62 11.06 21.35 94.89 -134.65 -65.75 -36.34 15.56 0.33 84.10 10.82 2.65 3.51 80.82 1.93 0.00 0.15 0.12 70 R H H 145.58 2.95 14.71 18.58 92.66 55.57 -64.81 -39.43 3.67 0.07 96.26 2.07 0.57 1.34 94.98 0.99 0.00 0.04 0.01 71 T H H 77.96 2.10 16.85 18.47 92.78 49.90 -66.02 -40.74 2.38 0.08 97.54 1.29 0.32 0.95 96.46 0.91 0.00 0.06 0.01 72 Y H H 79.30 8.17 15.04 24.54 92.53 49.68 -64.95 -42.18 1.45 0.04 98.51 0.67 0.18 0.63 97.95 0.54 0.00 0.02 0.01 73 V H H 46.20 10.79 14.82 26.70 92.13 49.67 -64.32 -41.97 1.18 0.02 98.80 0.48 0.14 0.51 98.62 0.23 0.00 0.01 0.00 74 N H H 82.48 2.57 19.07 21.19 91.74 50.43 -63.70 -41.75 1.14 0.01 98.85 0.41 0.12 0.52 98.79 0.16 0.00 0.00 0.00 75 D H H 79.11 2.76 19.46 21.80 92.06 49.07 -65.58 -40.62 1.15 0.01 98.85 0.32 0.10 0.59 98.82 0.16 0.00 0.00 0.00 76 A H H 22.45 13.34 14.71 29.10 91.95 51.27 -64.30 -40.82 0.99 0.00 99.00 0.23 0.08 0.54 98.98 0.16 0.00 0.00 0.00 77 R H H 111.51 8.62 17.74 27.05 91.50 52.15 -63.23 -40.85 0.69 0.00 99.31 0.15 0.05 0.38 99.20 0.21 0.00 0.00 0.00 78 T H H 82.56 1.81 20.83 21.00 92.05 50.00 -64.51 -40.89 1.00 0.00 99.00 0.15 0.07 0.65 98.62 0.50 0.00 0.00 0.00 79 L H H 68.28 8.14 17.87 26.95 92.22 49.72 -66.14 -39.75 2.12 0.01 97.88 0.25 0.15 1.55 97.21 0.83 0.00 0.00 0.00 80 L H H 32.58 17.86 13.68 31.13 92.58 48.93 -70.65 -27.99 7.51 0.05 92.44 0.81 0.67 5.92 91.36 1.18 0.02 0.02 0.02 81 N H H 102.39 4.65 18.65 23.89 96.24 52.59 -90.56 -4.29 37.89 0.41 61.70 4.56 4.23 28.91 59.97 1.87 0.07 0.15 0.24 82 S C T 58.42 4.91 17.11 22.88 121.54 80.18 -97.47 150.80 75.39 2.88 21.73 25.54 19.24 31.04 18.53 3.09 0.05 1.42 1.09 83 Y C C 110.10 11.75 11.70 23.85 124.34 -139.66 -113.91 147.06 73.96 24.04 2.00 57.95 11.63 3.64 0.99 1.05 0.00 21.56 3.18 84 G E E 29.74 4.69 17.28 23.36 139.00 152.09 -162.56 176.33 29.13 70.50 0.37 24.67 3.65 0.75 0.15 0.23 0.00 68.60 1.96 85 Y E E 141.85 5.39 12.01 19.31 118.68 -85.02 -100.44 136.10 9.41 90.38 0.21 8.17 0.63 0.13 0.18 0.08 0.00 75.49 15.32 86 T C C 52.86 7.40 8.42 17.57 123.65 -148.18 -93.04 169.92 55.87 43.50 0.62 52.41 2.10 0.64 0.20 0.36 0.00 42.84 1.46 87 M C T 164.26 0.75 9.91 10.71 93.55 -92.15 -64.21 -19.23 62.29 30.26 7.45 11.79 10.64 41.62 0.88 6.52 0.02 26.74 1.80 88 E C T 156.50 0.76 10.60 10.89 94.54 53.11 -87.20 5.46 90.98 1.25 7.77 9.52 9.33 71.50 0.81 7.60 0.00 0.92 0.33 89 G C T 47.44 3.38 11.15 16.12 97.31 -99.43 86.57 5.89 91.11 2.37 6.52 20.05 32.71 38.08 0.53 6.50 0.00 1.64 0.49 90 K E E 92.58 6.22 12.00 20.23 118.50 130.69 -92.70 138.14 45.79 53.93 0.28 40.12 4.39 0.58 0.14 0.19 0.00 49.75 4.82 91 V E E 51.65 10.31 14.12 26.12 117.69 -141.38 -101.46 131.88 9.80 90.10 0.10 9.16 0.57 0.07 0.09 0.04 0.00 82.72 7.35 92 H E E 73.58 11.21 17.72 29.66 123.00 -165.05 -117.43 133.81 28.01 71.89 0.10 22.72 4.64 0.25 0.05 0.05 0.00 71.29 0.99 93 I E E 28.10 15.97 15.72 32.53 120.82 -165.47 -116.16 131.24 47.65 52.25 0.10 41.01 6.28 0.15 0.08 0.04 0.00 51.03 1.40 94 P C C 42.27 7.27 21.25 29.89 112.47 -114.68 -66.19 140.48 53.84 45.70 0.47 56.77 0.63 0.07 0.51 0.06 0.00 34.66 7.30 95 I H H 40.11 18.07 14.45 32.33 92.67 -123.21 -59.40 -38.64 1.15 0.00 98.85 0.20 0.13 0.66 98.53 0.48 0.00 0.00 0.00 96 D H H 91.08 3.48 20.90 24.78 91.79 54.90 -63.60 -40.57 0.46 0.00 99.54 0.05 0.03 0.31 99.16 0.45 0.00 0.00 0.00 97 R H H 113.27 4.21 20.94 25.16 92.29 48.02 -66.67 -40.25 0.14 0.00 99.86 0.02 0.01 0.09 99.49 0.39 0.00 0.00 0.00 98 A H H 11.04 17.55 15.07 33.40 91.86 51.50 -63.48 -42.81 0.13 0.00 99.87 0.01 0.01 0.08 99.82 0.08 0.00 0.00 0.00 99 M H H 61.77 10.79 18.28 29.75 91.47 50.60 -63.13 -41.30 0.26 0.00 99.74 0.02 0.01 0.16 99.76 0.04 0.00 0.00 0.00 100 D H H 82.31 2.24 21.02 22.20 91.78 50.60 -64.41 -40.93 0.52 0.00 99.48 0.05 0.03 0.34 99.52 0.07 0.00 0.00 0.00 101 L H H 48.19 7.33 17.10 26.16 91.84 50.44 -64.28 -42.03 0.97 0.01 99.02 0.11 0.10 0.64 99.01 0.13 0.00 0.00 0.00 102 I H H 33.72 12.73 13.39 27.34 92.12 49.37 -64.52 -42.17 1.71 0.04 98.26 0.32 0.22 1.09 98.07 0.27 0.01 0.01 0.01 103 V H H 79.29 4.70 14.23 20.17 92.22 49.07 -65.50 -40.50 3.62 0.04 96.34 0.61 0.36 2.62 94.89 1.47 0.02 0.02 0.01 104 E H H 145.94 1.15 14.65 15.34 91.71 51.49 -67.39 -30.21 12.90 0.06 87.04 0.69 0.76 11.55 85.50 1.39 0.05 0.02 0.03 105 R C T 138.15 4.10 12.50 17.88 95.19 46.90 -91.19 0.19 67.24 0.08 32.68 0.94 2.68 62.40 32.00 1.86 0.01 0.03 0.08 106 G C T 56.38 1.87 14.78 16.98 97.59 -107.05 80.67 14.70 99.07 0.07 0.86 10.43 4.41 84.43 0.47 0.19 0.00 0.03 0.03 107 L C C 59.38 11.71 8.48 20.91 116.25 157.89 -82.31 138.33 99.35 0.52 0.13 91.88 7.23 0.28 0.06 0.05 0.00 0.20 0.31 108 P C C 83.27 3.93 14.81 19.74 111.30 -105.44 -67.69 143.86 98.00 0.90 1.09 90.68 5.23 2.15 0.33 0.67 0.00 0.47 0.46 109 V C C 90.59 8.49 9.28 18.74 114.07 -158.00 -98.74 129.28 87.15 9.09 3.76 66.62 13.71 5.96 1.13 2.74 0.00 4.37 5.48 110 R C C 149.89 3.96 9.46 15.31 116.11 -134.60 -94.70 137.09 93.56 4.77 1.67 89.80 1.64 2.60 0.47 0.92 0.00 3.09 1.49 111 E C C 150.88 1.97 12.52 15.85 111.26 -117.26 -81.89 133.54 99.81 0.16 0.02 99.71 0.12 0.05 0.01 0.00 0.00 0.09 0.02