# 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 T C C 81.04 7.32 15.10 23.48 117.59 -155.84 -101.85 134.33 99.77 0.22 0.02 99.69 0.11 0.05 0.01 0.00 0.00 0.12 0.02 1 C C C 77.74 7.45 14.05 22.64 111.24 -160.85 -97.05 112.13 93.15 6.24 0.61 87.15 2.21 3.87 0.16 0.36 0.00 5.01 1.23 2 G C C 31.94 8.78 16.15 25.65 117.54 -120.89 96.13 175.73 87.15 12.26 0.59 54.62 24.42 7.74 0.08 0.64 0.00 11.50 1.00 3 L C C 68.41 11.01 18.31 29.57 119.00 -81.38 -96.55 139.18 69.09 30.60 0.31 55.94 10.31 1.30 0.05 0.30 0.00 31.15 0.95 4 V E E 15.47 21.13 16.55 37.54 121.18 -152.12 -108.90 134.31 19.87 80.10 0.04 18.44 1.09 0.07 0.01 0.02 0.00 79.82 0.56 5 R E E 78.59 11.51 24.99 36.55 119.82 -157.99 -111.06 130.29 5.39 94.60 0.01 4.93 0.24 0.01 0.00 0.00 0.00 94.70 0.11 6 I E E 7.20 24.61 18.93 43.85 120.64 -163.73 -112.65 129.86 1.34 98.66 0.00 1.26 0.03 0.00 0.00 0.00 0.00 98.68 0.02 7 R E E 57.06 12.88 26.42 39.41 123.51 -168.65 -118.14 133.64 0.61 99.39 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.41 0.01 8 L E E 9.87 23.66 20.20 43.52 121.16 -156.98 -106.13 136.77 0.64 99.36 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.39 0.01 9 A E E 17.78 14.51 23.65 38.50 130.09 -171.92 -128.32 149.48 0.48 99.52 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 10 R E E 69.60 16.61 19.62 35.51 117.83 -132.92 -98.60 132.89 0.66 99.33 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.37 0.01 11 F E E 63.36 11.94 19.16 31.67 132.02 173.87 -134.56 154.69 2.57 97.43 0.00 2.28 0.13 0.01 0.00 0.00 0.00 97.49 0.09 12 G E E 28.22 6.84 17.10 25.53 134.80 53.56 132.51 -170.90 17.39 82.58 0.03 13.39 3.31 0.22 0.00 0.02 0.00 82.76 0.29 13 R E E 136.92 3.97 16.40 21.46 123.98 -53.37 -110.36 149.62 38.33 61.53 0.15 32.58 4.93 0.56 0.04 0.14 0.00 58.52 3.23 14 K C T 142.14 4.91 12.90 19.34 106.22 -87.11 -60.59 128.32 98.74 0.57 0.69 1.02 24.59 73.17 0.02 0.74 0.00 0.38 0.09 15 N C T 130.28 2.13 15.64 17.88 94.80 9.87 67.17 3.56 99.07 0.24 0.69 1.12 24.61 73.22 0.01 0.83 0.00 0.15 0.04 16 S E E 49.66 7.40 15.64 24.37 115.74 58.52 -127.09 99.95 45.67 54.12 0.21 16.77 29.64 1.54 0.02 0.24 0.00 50.31 1.48 17 P E E 31.26 15.90 14.86 31.20 116.34 -144.27 -70.85 144.25 32.00 67.99 0.01 29.98 0.76 0.04 0.00 0.01 0.00 69.01 0.21 18 V E E 29.14 13.51 21.52 35.94 126.80 -169.59 -122.06 141.11 0.90 99.10 0.00 0.79 0.03 0.00 0.00 0.00 0.00 99.14 0.03 19 Y E E 27.95 20.75 20.18 40.24 125.08 -158.00 -115.86 138.32 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 20 N E E 22.85 16.48 25.53 41.67 132.33 -172.26 -132.92 148.83 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 21 I E E 5.71 24.25 23.06 47.31 117.70 -143.67 -106.63 126.82 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 22 V E E 9.96 19.81 26.19 45.54 124.83 -169.49 -117.80 138.60 0.11 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 23 V E E 8.99 21.92 24.52 45.86 120.62 -158.86 -110.91 130.97 0.33 99.67 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.01 24 A E E 8.90 17.65 20.74 38.94 135.67 175.36 -137.49 157.64 2.25 97.75 0.00 2.07 0.07 0.00 0.00 0.00 0.00 97.75 0.10 25 N E E 49.67 9.97 21.16 31.82 113.67 -102.19 -72.71 145.63 22.94 76.95 0.11 20.09 2.50 0.26 0.03 0.08 0.00 76.08 0.97 26 S C T 52.44 12.32 14.93 27.39 93.11 -112.86 -63.40 -24.56 93.18 1.83 4.98 2.84 26.81 63.91 0.44 4.20 0.01 1.23 0.56 27 R C T 172.01 1.94 17.93 19.68 95.52 57.01 -85.54 -3.85 93.62 1.22 5.15 4.30 27.39 62.11 0.62 4.34 0.01 0.69 0.53 28 K C S 82.29 10.56 11.75 23.02 120.95 87.44 -98.24 145.87 88.99 5.65 5.36 34.24 49.04 5.46 1.61 3.33 0.01 1.83 4.48 29 A C C 51.52 6.32 14.40 21.93 114.44 -103.19 -69.64 151.18 96.54 1.91 1.55 89.63 4.02 2.50 0.56 0.93 0.00 0.71 1.66 30 R C T 136.73 8.90 11.62 21.40 96.39 -102.66 -63.96 -24.82 97.31 0.43 2.25 4.15 11.32 81.54 0.28 2.20 0.00 0.24 0.27 31 D C T 120.72 1.69 16.29 17.84 96.01 47.32 -85.40 5.24 97.27 0.29 2.44 2.99 11.33 82.67 0.19 2.49 0.00 0.17 0.15 32 A C C 42.18 9.94 11.84 23.01 120.70 106.38 -90.28 157.93 96.96 1.65 1.39 48.39 45.71 2.74 0.19 1.27 0.00 0.66 1.03 33 K C C 136.96 3.34 19.24 23.28 115.17 -99.59 -80.24 139.06 97.30 2.65 0.05 78.02 19.31 0.30 0.01 0.04 0.00 1.49 0.83 34 P C C 43.83 17.92 12.73 29.89 114.81 -108.98 -66.11 145.33 82.08 17.88 0.04 81.64 1.39 0.11 0.01 0.03 0.00 14.77 2.05 35 I C S 69.27 11.98 18.49 30.74 98.87 -151.89 -85.79 -31.83 70.16 29.82 0.01 30.18 40.83 0.20 0.00 0.01 0.00 28.35 0.41 36 E E E 65.72 10.46 21.32 32.15 133.55 -0.77 -144.19 145.92 2.94 97.06 0.00 2.56 0.29 0.01 0.00 0.00 0.00 97.04 0.09 37 V E E 66.90 14.00 19.35 32.86 110.97 -124.81 -86.63 121.21 0.36 99.64 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.58 0.02 38 L E E 23.79 19.01 18.64 37.74 100.16 176.21 -96.45 -23.80 1.24 98.76 0.00 0.99 0.13 0.01 0.00 0.00 0.00 98.85 0.02 39 G E E 8.79 12.55 22.86 36.66 145.52 -43.21 161.79 176.91 1.45 98.55 0.00 0.97 0.30 0.01 0.00 0.00 0.00 98.70 0.02 40 T E E 40.52 15.36 21.74 36.89 132.92 -102.31 -136.03 150.48 2.21 97.79 0.00 2.02 0.09 0.00 0.00 0.00 0.00 97.77 0.11 41 Y E E 34.77 19.05 18.69 37.46 125.10 -157.09 -120.41 138.03 10.14 89.85 0.01 9.16 0.72 0.04 0.00 0.01 0.00 88.34 1.73 42 V C C 47.08 11.22 21.76 33.70 113.75 -160.67 -114.38 111.97 66.12 33.86 0.02 63.12 2.09 0.08 0.00 0.01 0.00 34.11 0.57 43 P C C 39.05 16.33 16.58 32.99 96.79 -156.96 -70.01 -17.73 85.77 14.06 0.18 46.30 37.65 2.59 0.03 0.18 0.00 11.77 1.49 44 V C S 66.88 9.01 17.94 27.83 117.48 54.77 -110.43 120.84 93.30 6.46 0.24 45.39 46.26 2.28 0.06 0.18 0.00 3.44 2.38 45 P C C 59.40 11.30 12.98 25.05 114.44 -128.56 -70.63 149.77 97.13 2.33 0.54 78.08 17.04 2.07 0.17 0.37 0.00 1.34 0.94 46 S C C 75.54 3.61 14.97 19.94 116.44 -106.84 -83.33 142.04 96.91 1.66 1.43 69.59 24.85 2.48 0.73 0.67 0.00 0.74 0.95 47 P C C 86.46 5.07 13.39 20.01 112.18 -90.97 -69.10 143.45 93.72 2.11 4.17 77.18 12.18 4.43 2.33 1.69 0.00 0.98 1.22 48 V C C 67.41 10.51 9.34 20.60 112.11 -122.32 -84.07 135.61 90.03 2.51 7.46 75.62 10.11 4.04 5.41 2.09 0.00 1.08 1.66 49 T C C 68.70 3.55 12.65 17.44 119.03 -125.33 -86.41 159.42 86.42 1.91 11.67 70.26 11.13 4.38 10.28 2.02 0.00 0.83 1.10 50 K H H 147.08 2.01 11.54 14.71 94.22 -108.12 -61.27 -36.35 28.29 0.90 70.81 13.55 6.68 10.64 59.67 8.52 0.07 0.48 0.39 51 R H H 146.22 1.66 12.62 14.54 93.18 54.62 -65.95 -36.58 20.69 0.86 78.44 8.14 4.01 10.03 66.74 10.13 0.10 0.54 0.30 52 E H H 64.42 7.24 9.81 18.95 93.43 52.10 -67.67 -37.61 16.29 1.54 82.17 8.35 3.03 6.37 68.25 12.45 0.06 1.11 0.38 53 L H H 80.43 7.16 10.08 18.75 93.31 54.79 -66.58 -36.86 17.07 1.21 81.72 8.12 3.17 7.17 68.72 11.57 0.07 0.80 0.37 54 K H H 154.99 1.14 12.70 13.78 93.02 53.50 -70.42 -25.33 28.87 1.55 69.58 9.77 4.97 15.41 57.57 10.56 0.17 0.95 0.60 55 R C T 155.43 2.10 11.62 14.51 96.79 53.04 -87.06 -2.68 62.66 0.88 36.47 8.45 8.40 44.85 29.78 7.41 0.10 0.43 0.57 56 G C T 52.11 3.04 12.92 17.08 99.70 -110.26 78.64 14.18 96.44 0.83 2.73 25.82 11.96 59.18 1.26 1.03 0.00 0.49 0.26 57 V C C 65.89 8.62 10.71 20.90 117.83 142.32 -94.64 136.47 91.53 7.90 0.58 77.71 12.16 1.67 0.22 0.36 0.00 5.50 2.38 58 V C C 82.53 6.62 15.51 23.55 116.18 -144.73 -105.41 126.27 90.37 9.54 0.10 83.14 6.91 0.30 0.03 0.06 0.00 8.48 1.08 59 P C C 51.00 13.22 13.69 27.38 113.67 -117.36 -68.30 145.86 87.52 12.32 0.16 83.35 3.49 0.48 0.04 0.11 0.00 11.27 1.26 60 I C C 77.94 10.14 16.76 27.52 121.94 -153.62 -114.24 139.63 63.77 35.53 0.70 47.63 14.54 1.45 0.27 0.57 0.00 30.31 5.22 61 K E E 71.32 14.46 14.22 28.68 120.15 -147.11 -107.43 132.93 47.06 52.01 0.93 36.68 9.32 1.75 0.21 0.77 0.00 49.57 1.70 62 D E E 81.00 7.33 19.79 27.68 107.98 -158.06 -98.51 90.27 35.32 63.86 0.83 28.39 6.44 0.87 0.22 0.57 0.00 62.44 1.07 63 V E E 24.76 19.98 13.39 32.80 125.68 100.21 -121.62 138.04 19.51 80.20 0.29 17.74 1.47 0.21 0.11 0.15 0.00 79.56 0.75 64 K E E 120.70 4.87 23.22 29.27 121.01 -162.56 -114.12 133.51 13.28 86.54 0.17 12.48 0.59 0.12 0.09 0.09 0.00 84.83 1.80 65 L E E 23.34 22.70 11.97 34.00 117.40 -144.26 -92.28 133.64 33.46 66.41 0.14 32.97 0.82 0.07 0.10 0.05 0.00 63.35 2.64 66 D C C 64.17 6.53 20.41 27.91 106.30 -134.53 -88.32 106.24 85.06 14.79 0.16 85.11 0.75 0.08 0.07 0.04 0.00 13.27 0.67 67 F H H 81.90 14.83 14.05 28.90 93.79 -172.13 -64.64 -34.70 4.85 0.03 95.13 1.38 0.76 2.40 94.85 0.58 0.00 0.01 0.01 68 D H H 104.19 1.58 21.01 21.42 91.81 55.58 -63.77 -40.12 2.32 0.01 97.67 0.23 0.20 1.78 97.27 0.50 0.01 0.00 0.00 69 R H H 79.84 10.15 18.93 29.70 92.19 49.06 -66.18 -40.34 0.57 0.00 99.42 0.08 0.04 0.38 99.04 0.45 0.00 0.00 0.00 70 T H H 4.78 24.34 13.95 38.37 91.97 51.25 -63.90 -42.44 0.17 0.00 99.83 0.03 0.01 0.10 99.71 0.15 0.00 0.00 0.00 71 K H H 95.54 9.10 20.87 30.19 91.46 52.31 -63.00 -41.59 0.25 0.00 99.75 0.03 0.01 0.17 99.68 0.10 0.00 0.00 0.00 72 Y H H 118.74 3.24 23.01 25.62 91.70 50.46 -64.25 -42.42 0.39 0.00 99.61 0.04 0.03 0.29 99.50 0.15 0.00 0.00 0.00 73 W H H 30.93 17.84 18.10 35.94 92.19 49.51 -64.89 -42.58 0.69 0.00 99.31 0.06 0.05 0.54 98.99 0.36 0.00 0.00 0.00 74 I H H 29.02 19.77 16.51 35.53 92.06 49.71 -65.24 -38.95 1.83 0.00 98.16 0.09 0.08 1.70 96.92 1.20 0.01 0.00 0.00 75 G H H 47.19 4.89 20.05 25.84 90.95 57.79 -68.16 -23.47 12.18 0.02 87.80 0.24 0.37 12.24 85.72 1.38 0.03 0.00 0.01 76 V C T 80.87 6.96 18.47 26.18 95.19 54.35 -88.94 0.19 77.55 0.06 22.39 0.34 1.52 75.71 21.30 1.05 0.00 0.02 0.06 77 G C T 38.32 7.37 21.15 28.73 101.74 -93.29 96.91 6.42 93.25 0.04 6.71 1.63 1.95 89.34 6.84 0.21 0.00 0.02 0.02 78 A C C 14.36 21.34 13.07 34.05 117.20 151.51 -74.09 144.68 97.92 1.98 0.10 95.76 2.06 0.29 0.04 0.03 0.00 1.22 0.60 79 Q C C 104.12 6.07 25.46 32.41 116.89 -137.47 -103.94 129.48 75.37 24.61 0.02 75.41 1.49 0.04 0.01 0.01 0.00 19.62 3.42 80 P C C 24.85 22.46 14.22 35.99 116.81 -120.95 -69.64 148.23 62.79 37.17 0.04 65.87 0.60 0.02 0.02 0.01 0.00 23.95 9.53 81 S C C 26.66 12.50 18.24 31.58 120.86 -117.23 -75.83 163.52 97.59 2.32 0.08 97.63 0.51 0.03 0.04 0.01 0.00 1.08 0.70 82 E H H 137.28 2.82 19.66 23.34 90.96 -101.08 -60.02 -35.89 0.90 0.00 99.10 0.12 0.13 0.48 99.19 0.08 0.00 0.00 0.00 83 T H H 53.70 8.74 20.37 29.77 91.74 53.24 -64.40 -41.10 0.28 0.00 99.72 0.02 0.02 0.19 99.72 0.06 0.00 0.00 0.00 84 V H H 4.20 24.68 16.82 41.67 91.85 48.69 -64.62 -42.94 0.06 0.00 99.94 0.01 0.00 0.04 99.92 0.03 0.00 0.00 0.00 85 T H H 27.06 15.55 19.39 34.96 91.41 51.02 -62.27 -42.74 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 86 K H H 107.33 2.89 24.46 26.39 91.48 50.43 -63.93 -42.10 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 87 L H H 24.41 14.67 20.13 35.38 91.98 49.84 -64.20 -43.35 0.05 0.00 99.95 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 88 L H H 5.56 23.87 16.20 40.15 92.00 49.51 -64.13 -42.55 0.11 0.00 99.89 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 89 R H H 121.88 7.48 18.95 27.33 91.50 50.76 -63.20 -41.15 0.51 0.00 99.49 0.04 0.02 0.40 99.42 0.12 0.00 0.00 0.00 90 K H H 129.30 3.51 19.03 23.38 90.89 53.03 -64.75 -31.30 3.46 0.00 96.53 0.05 0.07 3.55 96.12 0.21 0.00 0.00 0.00 91 A C T 31.28 13.67 14.08 28.62 91.92 53.56 -84.21 -6.11 75.03 0.02 24.96 0.20 0.63 73.96 24.71 0.47 0.00 0.00 0.01 92 G C T 48.94 3.52 20.42 24.29 94.57 -113.66 78.25 16.23 99.74 0.01 0.25 0.54 1.04 98.29 0.10 0.03 0.00 0.00 0.00 93 I C S 34.55 16.37 14.82 31.45 98.16 123.97 -86.13 -17.05 97.51 0.70 1.79 32.80 57.63 6.98 1.20 0.66 0.00 0.24 0.50 94 L C S 40.14 17.58 13.22 29.98 117.02 58.39 -105.76 129.09 91.08 3.89 5.02 26.00 57.84 7.02 3.04 1.75 0.01 1.22 3.13 95 N C C 83.85 7.51 16.21 24.50 111.49 -144.93 -77.59 143.78 78.05 1.54 20.41 63.51 7.92 6.66 8.82 11.48 0.00 0.84 0.78 96 D C G 109.18 3.64 15.43 20.35 97.60 -104.28 -71.74 -21.53 55.46 1.12 43.42 21.07 11.72 22.77 13.64 29.62 0.01 0.57 0.60 97 A C G 63.48 6.25 14.67 22.04 101.67 67.80 -79.62 10.62 51.82 1.78 46.41 22.82 9.64 19.68 15.31 30.78 0.02 0.97 0.80 98 W C C 86.32 14.05 11.81 25.70 110.63 54.78 -91.45 113.36 57.66 2.73 39.60 36.04 11.60 9.88 17.06 22.75 0.01 1.40 1.26 99 A C C 52.51 9.06 14.35 24.29 111.44 -152.42 -88.95 129.55 72.03 2.81 25.15 50.07 12.24 9.25 15.98 9.52 0.00 1.43 1.51 100 T C C 83.10 6.50 14.44 22.04 108.30 -149.60 -90.79 103.71 75.21 2.44 22.35 47.09 15.09 12.91 13.77 8.69 0.01 1.25 1.19 101 S C C 62.77 7.83 13.13 21.91 110.47 53.09 -90.85 119.12 76.29 3.12 20.59 47.06 14.91 14.26 12.11 8.57 0.01 1.73 1.35 102 K C C 120.50 6.77 13.28 21.25 107.69 -145.65 -87.03 82.96 75.20 4.85 19.95 48.71 16.07 10.12 12.99 7.32 0.01 2.64 2.15 103 N C C 83.63 7.77 12.18 21.05 108.77 104.21 -89.33 104.75 77.13 4.22 18.65 54.99 11.88 9.88 11.66 7.36 0.00 2.50 1.72 104 S C C 72.02 5.58 12.83 19.79 100.47 140.94 -77.19 -12.80 76.55 3.35 20.10 39.23 18.25 19.48 11.37 8.49 0.02 1.95 1.21 105 N C C 97.95 5.09 13.50 19.88 100.53 62.92 -85.90 18.09 76.63 4.62 18.75 40.66 17.19 19.26 10.66 7.82 0.02 2.96 1.42 106 V C C 67.08 10.17 11.57 22.48 106.56 96.33 -81.75 88.65 73.57 7.33 19.10 52.10 15.44 5.84 15.22 4.39 0.01 4.95 2.05 107 N C C 92.17 6.17 14.02 21.26 104.96 61.52 -82.46 49.19 72.23 7.34 20.43 57.23 8.18 5.95 17.67 3.75 0.01 5.72 1.50 108 R C C 132.59 6.83 13.11 21.05 101.72 105.53 -77.74 -16.70 62.92 7.94 29.14 45.88 10.37 5.87 26.16 4.05 0.01 6.49 1.17 109 K C C 120.75 4.82 14.82 20.71 104.90 69.62 -79.30 27.86 54.97 13.49 31.54 43.50 5.82 4.70 28.53 3.88 0.02 11.93 1.63 110 V C C 64.95 9.12 13.27 23.45 105.76 55.07 -82.95 35.12 49.20 16.71 34.09 39.70 4.68 3.66 31.52 3.42 0.02 15.35 1.65 111 V C C 63.46 9.24 13.43 23.66 104.62 67.82 -84.77 -3.63 46.39 16.71 36.90 36.76 4.72 3.61 34.48 3.24 0.02 15.74 1.43 112 F C C 106.03 6.96 13.15 21.30 101.96 58.79 -78.60 -27.24 47.42 13.94 38.64 36.20 6.01 4.22 35.71 3.57 0.02 13.05 1.21 113 E C C 115.24 3.79 14.13 18.90 101.17 56.40 -76.24 -20.92 49.14 11.46 39.40 37.53 5.48 5.27 35.44 4.51 0.02 10.66 1.10 114 R C H 123.06 6.38 12.09 19.80 100.61 54.57 -78.20 -21.60 47.17 10.51 42.31 34.12 5.86 7.09 35.68 6.64 0.02 9.17 1.39 115 M C C 97.42 7.09 10.42 18.83 103.09 57.04 -81.70 3.03 52.05 8.42 39.53 37.03 6.91 8.07 32.29 7.33 0.03 6.97 1.38 116 E C C 125.31 3.56 11.32 16.37 104.81 62.35 -83.54 36.83 57.43 10.66 31.91 38.59 7.82 10.61 25.41 6.95 0.03 8.72 1.87 117 T C C 91.35 3.80 9.83 15.25 106.47 69.59 -88.69 71.39 69.43 8.69 21.88 54.40 2.75 11.54 18.31 4.02 0.00 6.30 2.69 118 L C C 99.82 6.41 10.76 18.53 105.49 -144.38 -84.47 47.52 99.81 0.15 0.04 99.66 0.12 0.08 0.02 0.00 0.00 0.09 0.01