# 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 106.87 7.01 12.46 20.69 116.41 -158.68 -93.70 135.84 99.93 0.06 0.01 99.87 0.06 0.02 0.00 0.00 0.00 0.02 0.01 1 A C C 67.82 5.97 10.39 17.90 111.84 -130.55 -82.45 139.71 90.68 2.08 7.24 85.36 1.22 5.54 1.90 3.92 0.00 1.26 0.80 2 E C C 126.87 4.13 11.65 17.45 111.92 -138.44 -88.95 125.32 83.55 3.38 13.08 48.51 18.21 16.80 1.96 11.37 0.00 2.06 1.08 3 K C C 125.47 5.83 13.49 20.68 110.55 -126.15 -88.71 118.70 80.55 4.70 14.75 46.20 19.13 15.27 1.84 13.32 0.00 3.21 1.04 4 R C C 100.20 11.56 15.00 26.78 113.06 -148.70 -95.62 125.73 76.03 13.32 10.65 52.37 15.15 8.59 1.40 9.37 0.00 11.88 1.24 5 T C C 40.18 13.89 19.18 33.24 119.49 -161.10 -105.52 134.58 55.37 41.09 3.54 42.06 9.45 3.74 0.57 2.78 0.00 40.30 1.09 6 L E E 25.06 18.20 22.05 39.86 121.65 -152.87 -107.80 135.57 21.78 78.04 0.17 18.96 2.38 0.24 0.05 0.10 0.00 77.78 0.48 7 I E E 7.36 23.44 24.66 47.47 120.90 -161.37 -111.56 130.42 4.34 95.64 0.02 3.94 0.26 0.02 0.01 0.01 0.00 95.69 0.07 8 A E E 3.53 23.64 27.73 50.43 123.40 -165.82 -114.06 135.65 0.53 99.47 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.48 0.01 9 V E E 1.46 26.38 27.98 53.86 120.61 -162.67 -113.89 128.72 0.25 99.75 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.75 0.01 10 I E E 5.78 24.07 28.23 51.20 116.31 -163.59 -110.68 121.71 1.36 98.64 0.00 1.13 0.09 0.01 0.00 0.00 0.00 98.73 0.04 11 A E E 7.21 20.05 23.48 43.49 145.86 123.11 -171.88 171.10 25.30 74.68 0.02 15.10 10.21 0.22 0.00 0.02 0.00 74.17 0.27 12 D C C 52.88 9.43 24.28 34.06 119.22 -64.45 -75.00 157.02 87.47 12.45 0.07 79.06 7.70 0.16 0.03 0.03 0.00 12.64 0.37 13 E H H 98.64 11.71 17.16 28.95 92.08 -102.26 -59.29 -38.79 8.05 0.02 91.93 0.60 1.36 6.06 90.60 1.34 0.02 0.01 0.01 14 D H H 103.75 2.63 22.20 24.51 92.30 51.27 -67.35 -36.18 6.56 0.02 93.43 0.40 0.61 5.57 91.90 1.48 0.02 0.01 0.01 15 T H H 35.49 15.32 19.34 34.08 95.25 44.70 -73.65 -36.85 4.23 0.06 95.71 0.81 0.49 2.95 93.77 1.91 0.02 0.03 0.01 16 T H H 5.76 24.57 16.09 40.32 92.36 52.33 -64.62 -42.02 1.43 0.03 98.54 0.42 0.20 0.72 98.32 0.33 0.00 0.01 0.01 17 T H H 62.05 7.62 24.10 31.89 91.81 51.60 -63.34 -42.11 1.35 0.01 98.64 0.20 0.11 0.94 98.54 0.19 0.00 0.00 0.00 18 G H H 26.40 7.24 23.42 31.26 91.68 50.63 -63.45 -42.31 2.21 0.01 97.79 0.13 0.17 1.91 97.36 0.39 0.02 0.00 0.00 19 L H H 6.79 23.67 18.10 41.50 91.94 49.66 -65.31 -42.45 1.06 0.01 98.93 0.10 0.09 0.86 98.00 0.91 0.02 0.01 0.00 20 L H H 50.87 17.51 19.68 35.98 91.47 51.41 -62.69 -41.96 0.97 0.01 99.02 0.07 0.05 0.81 97.42 1.64 0.01 0.01 0.00 21 L H H 111.92 4.16 22.28 26.83 90.53 53.43 -65.90 -30.73 5.16 0.01 94.84 0.13 0.15 5.07 92.99 1.64 0.01 0.00 0.00 22 A C T 42.89 11.42 18.57 30.75 91.86 55.17 -83.68 -7.21 63.94 0.04 36.02 0.29 1.03 62.79 34.50 1.34 0.01 0.01 0.03 23 G C T 29.31 10.07 22.59 33.09 97.46 -103.79 88.62 11.75 99.60 0.04 0.37 1.52 1.73 96.49 0.16 0.07 0.00 0.01 0.01 24 I C C 14.40 22.40 17.70 39.79 104.97 132.79 -89.08 73.01 94.84 3.54 1.62 75.59 13.55 5.37 0.52 1.21 0.00 2.09 1.67 25 G C C 16.67 17.59 21.00 37.09 114.37 59.32 -76.13 -24.89 81.57 15.25 3.18 39.01 29.87 13.24 0.58 2.86 0.01 10.78 3.64 26 Q C C 70.51 11.79 22.18 33.79 116.88 90.19 -102.76 129.88 62.68 34.20 3.12 37.98 17.07 7.69 0.88 2.64 0.03 22.33 11.38 27 I C C 48.89 16.24 15.89 31.88 113.10 -158.45 -104.40 113.34 75.41 23.22 1.36 52.20 19.56 3.24 0.54 1.01 0.00 15.46 7.99 28 T C C 53.07 8.44 15.47 25.44 118.61 75.13 -110.87 133.07 94.14 5.29 0.57 71.68 20.23 2.33 0.20 0.40 0.00 3.75 1.41 29 P C T 84.57 5.96 12.91 20.35 97.72 -118.90 -64.18 -26.17 80.96 1.04 18.00 29.67 20.37 31.66 5.39 11.77 0.00 0.48 0.66 30 E C T 146.22 1.70 14.22 16.12 97.48 50.51 -73.46 -19.96 73.63 1.20 25.17 22.91 17.42 34.28 8.79 15.23 0.01 0.55 0.81 31 T C C 68.09 7.61 10.90 19.78 105.43 50.34 -91.41 27.88 66.62 2.85 30.53 34.17 12.93 20.10 11.19 18.70 0.02 1.41 1.47 32 Q C C 103.95 8.16 12.85 21.92 104.01 -135.11 -78.50 39.44 64.41 3.06 32.53 34.28 13.45 16.99 14.88 17.33 0.03 1.54 1.51 33 E C C 107.07 6.92 15.91 23.82 110.09 123.13 -87.76 108.56 63.50 4.12 32.38 29.82 16.33 18.51 12.62 18.80 0.06 2.33 1.55 34 K C C 103.30 10.15 18.53 28.69 112.38 -120.38 -89.71 125.26 66.15 8.02 25.84 37.84 13.95 15.57 8.98 16.12 0.03 5.64 1.86 35 N C C 34.12 17.49 18.37 35.08 101.57 140.38 -97.67 2.10 63.91 20.72 15.37 35.32 16.49 14.11 4.53 9.82 0.05 17.43 2.25 36 F E E 26.61 20.31 18.84 38.87 126.01 75.02 -119.42 139.47 26.66 70.07 3.27 19.20 7.13 2.57 1.49 1.67 0.02 65.87 2.04 37 F E E 26.23 18.41 22.65 40.73 122.90 -162.95 -116.31 134.46 7.25 92.28 0.47 6.24 0.82 0.22 0.25 0.17 0.00 91.50 0.80 38 V E E 34.48 15.28 23.45 38.70 118.34 -150.52 -104.23 128.66 6.17 93.54 0.30 5.44 0.59 0.14 0.18 0.10 0.00 92.53 1.02 39 Y E E 28.77 19.82 15.67 35.47 118.09 -158.99 -105.33 130.81 29.09 69.85 1.05 25.33 2.88 0.81 0.59 0.49 0.00 68.29 1.61 40 Q C C 84.62 8.22 17.63 26.76 116.72 -161.01 -104.45 129.70 67.39 30.47 2.14 50.00 11.77 5.11 0.76 1.33 0.00 29.27 1.76 41 E C T 131.34 4.95 14.59 21.06 105.46 -86.41 -65.72 108.23 89.13 4.78 6.09 22.43 22.90 44.65 1.92 3.65 0.01 3.30 1.14 42 G C T 58.49 2.28 15.00 17.79 99.45 3.28 80.89 -4.23 91.61 1.88 6.50 20.86 25.10 46.27 1.97 4.01 0.00 1.12 0.68 43 K C C 136.78 3.32 15.60 19.92 102.47 79.29 -92.95 -7.37 81.17 9.17 9.66 38.58 27.16 16.69 4.53 4.68 0.04 5.60 2.72 44 T C C 30.18 17.24 9.66 26.17 120.76 75.07 -104.40 137.95 81.46 10.49 8.05 52.66 23.57 5.46 6.05 2.45 0.02 6.20 3.60 45 T C C 70.06 3.36 21.07 23.77 120.30 -140.66 -91.52 158.31 83.88 6.36 9.77 74.48 6.75 2.16 9.31 1.44 0.00 3.55 2.31 46 K H H 99.11 13.53 13.06 26.30 92.70 -111.65 -59.04 -38.96 6.08 0.09 93.83 2.57 1.43 2.42 92.50 1.01 0.00 0.04 0.03 47 E H H 133.16 1.62 19.39 20.16 92.28 52.87 -64.67 -39.34 3.57 0.05 96.37 1.22 0.50 1.85 95.35 1.02 0.00 0.03 0.01 48 E H H 85.21 5.72 19.31 25.72 92.08 48.95 -66.75 -39.94 1.90 0.04 98.06 0.81 0.24 0.90 97.19 0.82 0.00 0.02 0.01 49 I H H 4.92 23.54 13.88 37.74 91.66 50.38 -63.76 -43.87 0.62 0.01 99.37 0.27 0.06 0.24 99.25 0.16 0.00 0.00 0.00 50 T H H 41.44 11.98 19.87 32.32 91.58 50.84 -62.46 -42.35 0.33 0.00 99.67 0.11 0.02 0.15 99.65 0.06 0.00 0.00 0.00 51 D H H 85.24 1.96 24.73 24.68 91.62 49.93 -64.30 -41.62 0.39 0.00 99.61 0.07 0.02 0.23 99.61 0.07 0.00 0.00 0.00 52 K H H 45.03 13.65 20.87 34.63 92.18 49.75 -64.90 -41.89 0.37 0.00 99.63 0.05 0.02 0.22 99.64 0.06 0.00 0.00 0.00 53 F H H 4.62 25.60 16.69 42.61 91.35 50.24 -63.55 -42.98 0.18 0.00 99.82 0.02 0.01 0.10 99.82 0.04 0.00 0.00 0.00 54 N H H 73.82 6.82 22.38 29.67 91.22 51.71 -62.93 -40.89 0.38 0.00 99.62 0.04 0.02 0.24 99.59 0.11 0.00 0.00 0.00 55 H H H 94.41 3.46 23.05 25.96 91.61 50.41 -64.33 -41.64 1.20 0.00 98.80 0.10 0.06 0.91 98.67 0.26 0.00 0.00 0.00 56 F H H 12.38 19.55 16.39 36.40 92.02 49.88 -65.28 -41.99 2.98 0.02 97.01 0.43 0.27 2.08 96.68 0.52 0.00 0.01 0.00 57 T H H 27.82 16.73 15.65 32.18 92.83 48.81 -67.73 -36.47 11.19 0.07 88.74 1.69 1.05 8.24 87.68 1.26 0.02 0.03 0.03 58 E H H 132.41 1.94 19.30 20.64 94.83 49.46 -74.04 -32.19 27.68 0.11 72.21 3.16 3.17 20.92 70.54 2.07 0.03 0.04 0.07 59 E H H 109.71 4.89 16.86 22.41 98.37 41.38 -87.08 -22.59 46.13 0.26 53.61 10.22 9.25 27.05 50.52 2.66 0.03 0.08 0.19 60 R C C 66.59 17.04 11.38 27.20 104.00 53.05 -103.72 56.32 89.93 0.45 9.62 74.87 5.52 9.87 5.46 3.76 0.00 0.19 0.33 61 D C T 103.16 4.70 18.32 24.54 95.43 150.64 -71.96 -18.49 94.38 0.53 5.09 19.90 19.55 54.92 0.79 4.33 0.00 0.29 0.23 62 D C T 80.96 7.73 20.16 28.23 96.96 54.51 -90.71 1.06 95.36 1.42 3.22 21.79 18.57 54.78 0.29 3.30 0.00 1.03 0.24 63 I E E 11.04 23.29 14.84 38.30 115.23 106.10 -88.05 127.61 49.43 50.36 0.21 46.86 1.75 0.20 0.05 0.13 0.00 50.18 0.83 64 A E E 21.14 15.04 25.86 41.25 100.71 175.09 -93.33 -34.23 43.82 56.16 0.03 27.74 15.51 0.18 0.00 0.03 0.00 56.29 0.26 65 I E E 5.34 23.60 25.97 49.16 132.40 15.58 -140.77 137.39 0.74 99.26 0.00 0.68 0.04 0.00 0.00 0.00 0.00 99.25 0.02 66 L E E 2.31 26.01 27.96 53.38 118.31 -160.04 -113.35 125.23 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 67 L E E 4.10 24.69 28.88 52.87 115.01 -158.31 -104.26 123.43 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 68 I E E 3.25 25.27 24.35 49.26 131.34 -174.42 -129.92 148.31 0.96 99.04 0.00 0.93 0.02 0.00 0.00 0.00 0.00 99.01 0.04 69 N E E 19.34 16.97 23.35 40.30 119.36 -112.26 -76.67 156.62 27.96 72.02 0.01 27.74 0.40 0.01 0.00 0.00 0.00 71.59 0.25 70 Q H H 67.61 13.26 19.48 33.02 91.74 -110.57 -59.66 -34.91 11.06 0.02 88.92 0.18 0.67 10.54 84.85 3.71 0.03 0.01 0.01 71 H H H 104.77 4.47 23.19 27.73 91.72 56.36 -66.53 -34.00 6.64 0.01 93.36 0.16 0.31 6.52 89.69 3.30 0.01 0.00 0.00 72 I H H 18.75 18.02 18.25 36.21 95.28 46.04 -78.73 -30.86 2.32 0.01 97.68 0.21 0.16 1.80 94.35 3.47 0.00 0.00 0.00 73 A H H 7.41 22.63 14.00 36.40 91.50 63.80 -61.31 -42.26 0.72 0.00 99.27 0.09 0.04 0.48 97.79 1.60 0.00 0.00 0.00 74 E H H 122.07 3.21 21.07 24.60 91.72 51.94 -64.48 -37.68 1.80 0.00 98.20 0.05 0.05 1.76 95.38 2.77 0.00 0.00 0.00 75 N H H 91.32 4.65 19.53 24.71 92.36 49.94 -71.36 -29.73 6.04 0.00 93.96 0.06 0.13 6.56 91.26 1.98 0.00 0.00 0.00 76 I H H 15.88 20.06 12.86 33.09 99.94 38.15 -105.19 -1.46 30.06 0.04 69.90 1.29 1.62 26.71 67.98 2.32 0.03 0.01 0.04 77 R H H 97.36 14.01 14.49 28.48 92.02 100.46 -56.84 -43.31 4.99 0.02 94.99 1.29 0.33 2.93 80.18 15.25 0.00 0.01 0.01 78 A H H 75.98 1.47 19.54 19.49 91.66 52.51 -64.92 -34.40 3.41 0.02 96.57 0.29 0.18 2.49 79.08 17.93 0.00 0.01 0.00 79 R H H 100.50 8.32 17.59 26.63 92.31 50.16 -68.86 -36.99 2.41 0.02 97.57 0.34 0.18 1.61 81.52 16.33 0.00 0.02 0.00 80 V H H 12.04 22.59 11.04 32.69 92.51 53.34 -66.59 -38.44 5.06 0.08 94.85 1.06 0.59 3.16 84.59 10.52 0.01 0.05 0.02 81 D H H 97.12 4.92 16.92 23.07 91.69 58.82 -68.68 -20.30 39.93 0.22 59.85 2.93 2.35 33.35 52.80 8.28 0.05 0.10 0.14 82 S C T 83.51 1.71 16.87 18.12 94.54 59.35 -85.57 -7.19 67.45 0.17 32.37 6.00 3.68 56.81 26.93 6.38 0.00 0.08 0.12 83 F C C 58.24 16.98 8.06 23.78 113.25 102.18 -83.15 129.55 91.55 1.31 7.15 75.45 10.32 5.34 5.51 1.86 0.00 0.52 1.00 84 T C C 108.76 2.03 15.92 18.52 102.99 155.16 -101.84 -2.56 95.01 2.07 2.92 81.74 8.06 5.31 1.70 1.01 0.00 0.98 1.20 85 N C C 91.27 5.94 13.55 21.14 118.43 92.05 -94.52 142.48 95.70 2.52 1.78 49.85 34.52 11.55 0.52 1.17 0.00 1.30 1.08 86 A C C 70.86 6.94 14.94 22.88 101.07 -134.36 -76.77 -8.84 97.05 1.86 1.09 47.30 40.37 9.54 0.22 0.86 0.00 0.99 0.72 87 F C S 92.51 10.52 15.86 27.12 123.37 44.76 -111.79 137.27 97.14 2.54 0.32 33.18 61.94 2.37 0.05 0.27 0.00 1.53 0.67 88 P C S 44.45 13.77 17.45 31.38 113.80 -53.47 -70.90 148.81 96.58 3.21 0.22 39.16 55.00 2.39 0.02 0.23 0.00 3.00 0.21 89 A E E 27.51 14.74 20.50 35.39 117.08 -138.81 -94.24 136.56 12.07 87.57 0.35 10.26 1.58 0.32 0.06 0.29 0.00 87.07 0.42 90 I E E 38.27 19.51 19.41 38.17 120.95 -159.65 -116.09 127.42 0.98 99.01 0.00 0.92 0.04 0.00 0.00 0.00 0.00 98.96 0.07 91 L E E 31.75 16.53 22.73 39.03 121.40 -167.65 -115.93 129.90 0.53 99.47 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.48 0.01 92 E E E 69.86 14.65 23.82 37.67 115.46 -142.86 -94.79 128.24 1.73 98.26 0.00 1.70 0.05 0.00 0.00 0.00 0.00 98.11 0.14 93 I C C 19.96 21.01 18.76 39.34 117.56 -166.41 -113.30 121.55 58.72 41.26 0.01 56.52 1.07 0.04 0.00 0.01 0.00 41.87 0.48 94 P C C 37.93 12.46 19.17 32.37 116.77 -118.67 -68.80 152.76 92.73 7.19 0.08 86.75 5.36 0.42 0.01 0.07 0.00 6.83 0.56 95 S C C 30.07 12.62 15.14 28.69 118.85 -122.65 -84.26 155.08 93.57 6.07 0.36 88.51 3.92 0.66 0.12 0.19 0.00 1.69 4.91 96 K C T 143.10 4.56 14.17 20.63 92.68 -117.07 -65.35 -24.86 98.30 0.56 1.14 5.53 26.22 66.46 0.13 1.08 0.00 0.29 0.30 97 D C T 118.38 1.33 15.45 16.23 94.74 57.23 -85.56 -7.44 98.59 0.43 0.98 5.68 26.65 66.14 0.09 0.99 0.00 0.23 0.20 98 H C S 68.41 11.68 9.50 21.82 115.80 63.98 -115.09 116.43 95.79 3.53 0.69 44.12 49.33 2.14 0.17 0.47 0.00 1.22 2.53 99 P C C 87.46 4.55 15.29 21.06 103.08 -141.14 -69.96 34.26 97.70 0.88 1.41 47.68 21.17 28.70 0.20 1.38 0.00 0.44 0.43 100 Y C S 90.16 13.34 10.89 24.19 119.78 72.88 -98.34 138.85 96.58 1.43 1.99 33.30 37.04 26.05 0.32 1.77 0.00 0.56 0.95 101 D C C 70.19 5.34 16.88 23.39 109.20 -138.18 -100.16 108.43 98.89 0.57 0.54 79.27 18.45 1.07 0.20 0.28 0.00 0.18 0.55 102 P H G 57.05 13.98 10.32 24.66 92.62 -162.67 -62.92 -27.53 45.47 0.32 54.21 10.36 5.19 28.58 9.05 46.48 0.00 0.17 0.17 103 E H G 143.75 2.14 15.74 18.50 91.71 63.16 -70.60 -21.67 41.09 0.22 58.69 4.62 4.61 30.27 11.23 49.00 0.00 0.10 0.14 104 K H G 135.76 2.74 15.84 19.04 97.89 47.31 -91.15 -9.35 37.55 0.53 61.92 9.27 8.15 20.52 13.57 47.94 0.01 0.25 0.29 105 D C C 31.96 16.47 10.24 26.38 109.39 87.48 -96.92 106.02 73.45 0.84 25.71 53.43 12.31 7.83 15.73 9.72 0.00 0.30 0.68 106 S H H 51.77 5.82 19.80 26.46 97.37 164.01 -74.03 -33.22 21.47 0.37 78.16 11.37 7.21 4.24 75.92 0.94 0.01 0.10 0.21 107 V H H 30.09 16.49 17.61 33.89 92.79 52.95 -64.91 -41.95 2.38 0.01 97.60 0.55 0.34 1.29 97.50 0.31 0.00 0.00 0.00 108 L H H 39.57 14.78 17.32 32.31 91.88 51.32 -63.93 -41.56 0.89 0.01 99.11 0.25 0.09 0.47 98.85 0.34 0.00 0.00 0.00 109 K H H 104.34 3.67 20.93 24.56 91.57 51.12 -63.93 -41.38 0.35 0.00 99.64 0.12 0.03 0.16 99.51 0.17 0.00 0.00 0.00 110 R H H 91.18 7.30 19.28 27.34 91.74 49.71 -64.83 -41.86 0.45 0.01 99.54 0.12 0.04 0.25 99.43 0.17 0.00 0.00 0.00 111 V H H 18.63 18.19 14.54 33.25 92.19 49.90 -64.30 -42.43 0.55 0.01 99.43 0.15 0.04 0.30 99.28 0.22 0.00 0.01 0.00 112 R H H 112.91 8.25 16.44 25.57 91.29 51.80 -62.71 -40.53 0.63 0.02 99.35 0.15 0.05 0.38 98.79 0.62 0.00 0.01 0.00 113 K H H 142.93 1.45 17.96 18.58 92.09 50.52 -65.92 -38.66 1.57 0.01 98.42 0.15 0.08 1.21 97.57 0.98 0.00 0.00 0.00 114 L H H 70.35 9.33 14.81 24.95 94.68 46.17 -72.12 -36.10 4.38 0.01 95.60 0.24 0.22 3.66 95.21 0.66 0.00 0.00 0.00 115 F H H 76.54 12.11 11.63 24.11 100.64 34.64 -99.05 -11.51 21.37 0.26 78.37 2.53 3.15 15.66 77.58 0.77 0.06 0.08 0.16 116 G C C 43.97 4.08 13.11 18.64 115.93 -123.03 88.01 162.12 95.74 1.05 3.21 68.89 2.29 24.65 2.63 0.47 0.00 0.52 0.55 117 E C C 140.64 3.11 13.24 18.00 110.52 -99.50 -81.36 128.42 99.87 0.12 0.02 99.82 0.08 0.03 0.01 0.00 0.00 0.06 0.01