# 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 44.55 18.11 14.53 32.02 123.58 -161.96 -109.52 141.32 99.74 0.26 0.00 99.78 0.04 0.00 0.00 0.00 0.00 0.17 0.00 1 E E E 104.00 5.15 21.27 26.88 117.84 -153.85 -100.63 130.22 20.06 79.93 0.01 20.25 0.20 0.03 0.00 0.01 0.00 79.08 0.43 2 I E E 27.12 22.25 10.91 32.12 123.02 -166.39 -117.07 134.25 3.22 96.78 0.00 3.00 0.09 0.00 0.00 0.00 0.00 96.85 0.05 3 K E E 108.26 3.71 23.08 26.84 120.83 -164.01 -116.40 131.53 0.58 99.42 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.47 0.00 4 I E E 53.60 17.28 11.53 28.43 110.39 -130.25 -84.59 120.40 0.32 99.68 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 5 T E E 72.05 4.78 17.37 23.47 101.04 175.80 -95.38 -32.65 1.19 98.80 0.00 0.85 0.16 0.01 0.00 0.00 0.00 98.97 0.01 6 E E E 92.83 4.13 19.87 24.84 137.49 -0.39 -152.67 151.46 0.49 99.51 0.00 0.36 0.05 0.00 0.00 0.00 0.00 99.58 0.00 7 V E E 70.31 15.15 11.76 26.51 123.44 -160.86 -127.09 129.20 0.79 99.21 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.26 0.01 8 K E E 99.53 4.98 17.94 24.25 125.59 -175.66 -128.97 138.99 1.15 98.85 0.00 0.96 0.06 0.00 0.00 0.00 0.00 98.95 0.02 9 E E E 120.75 5.54 14.01 21.55 115.25 -131.14 -89.69 130.01 3.90 96.08 0.01 3.38 0.26 0.02 0.00 0.00 0.00 96.24 0.09 10 N E E 34.61 12.97 9.11 23.16 109.33 -155.38 -103.88 106.97 33.18 66.75 0.07 31.98 0.72 0.10 0.02 0.04 0.00 66.37 0.78 11 K C T 161.46 1.23 13.60 15.26 93.65 -162.33 -66.74 -29.52 96.24 0.16 3.60 0.52 2.95 92.24 0.09 4.06 0.00 0.10 0.04 12 L C T 114.52 2.80 13.21 16.96 95.02 52.16 -71.59 -38.25 96.70 0.12 3.18 0.32 2.92 92.85 0.05 3.75 0.00 0.06 0.04 13 I C T 65.81 9.55 12.05 22.84 99.07 27.23 -100.62 -8.46 96.93 0.08 2.99 0.41 2.41 93.60 0.05 3.46 0.00 0.04 0.02 14 G C T 48.08 3.56 16.78 21.46 94.58 -123.99 64.88 30.89 99.59 0.19 0.22 12.87 4.82 81.96 0.04 0.15 0.00 0.14 0.02 15 R E E 57.80 12.98 13.29 27.28 132.40 127.46 -124.51 156.87 30.17 69.81 0.02 25.59 2.99 0.19 0.00 0.02 0.00 70.70 0.50 16 K E E 66.60 10.70 19.64 31.27 117.63 -118.52 -95.20 135.90 0.73 99.27 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.30 0.03 17 E E E 35.35 15.04 19.58 35.23 121.17 -151.69 -107.63 135.60 0.24 99.76 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 18 I E E 9.56 21.03 18.70 40.31 120.32 -161.96 -113.08 130.78 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 19 Y E E 61.03 11.15 24.87 36.68 119.52 -160.70 -111.18 128.14 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 20 F E E 9.27 23.19 17.35 40.76 128.03 -172.58 -122.49 145.45 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 21 E E E 57.19 9.42 25.81 36.04 118.46 -152.57 -110.37 126.09 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 22 I E E 6.83 23.87 16.83 41.26 119.30 -165.92 -112.45 127.43 0.69 99.31 0.00 0.64 0.01 0.00 0.00 0.00 0.00 99.33 0.02 23 Y E E 90.77 7.82 24.33 32.59 116.72 -161.32 -109.72 123.35 8.80 91.20 0.01 7.68 0.70 0.04 0.00 0.01 0.00 91.30 0.27 24 H C C 32.65 17.69 12.75 30.41 112.32 -175.11 -119.35 108.83 73.92 26.03 0.04 68.78 3.71 0.20 0.01 0.04 0.00 26.39 0.87 25 P C T 88.18 4.41 16.06 21.81 107.50 -144.62 -67.71 125.98 93.91 5.58 0.50 21.76 19.17 53.08 0.05 0.56 0.00 4.83 0.56 26 G C T 61.55 1.41 15.21 16.55 100.84 -5.89 83.51 -2.30 98.78 0.84 0.38 4.78 38.74 55.31 0.02 0.44 0.00 0.56 0.16 27 E C S 107.64 5.34 13.40 20.59 123.44 89.24 -107.35 146.81 98.32 1.57 0.11 27.08 70.58 0.91 0.02 0.08 0.00 0.62 0.71 28 P C C 88.74 4.29 18.74 23.82 115.44 -98.47 -69.86 152.33 98.80 1.12 0.09 66.12 31.31 1.42 0.02 0.08 0.00 0.45 0.60 29 T C C 40.08 19.47 13.47 31.73 117.95 -103.35 -84.68 140.32 98.55 1.38 0.07 76.01 22.22 0.47 0.02 0.04 0.00 0.52 0.72 30 P C C 19.00 17.40 15.43 33.42 117.54 -108.48 -68.84 153.05 98.37 1.55 0.07 95.41 3.01 0.15 0.03 0.02 0.00 0.57 0.80 31 S C C 56.30 3.97 24.05 27.53 119.52 -107.91 -72.92 159.19 88.01 11.68 0.31 87.61 0.89 0.09 0.25 0.03 0.00 2.09 9.04 32 R H H 78.34 18.43 13.47 30.99 91.20 -110.79 -57.97 -39.50 1.62 0.01 98.38 0.30 0.23 0.95 98.05 0.47 0.00 0.00 0.00 33 K H H 139.33 2.53 20.60 23.65 91.43 53.37 -63.34 -39.51 0.71 0.00 99.29 0.09 0.05 0.48 98.85 0.53 0.00 0.00 0.00 34 D H H 73.85 4.47 22.21 26.66 91.83 49.63 -65.78 -39.92 0.48 0.00 99.52 0.08 0.03 0.32 98.89 0.68 0.00 0.00 0.00 35 V H H 3.48 24.23 16.25 40.84 91.83 49.63 -64.64 -43.26 0.57 0.00 99.43 0.06 0.03 0.42 99.33 0.16 0.00 0.00 0.00 36 K H H 48.53 18.58 20.05 37.34 91.40 52.50 -61.47 -42.69 0.15 0.00 99.85 0.01 0.01 0.09 99.88 0.02 0.00 0.00 0.00 37 G H H 37.85 3.31 24.55 27.28 91.65 50.34 -64.09 -42.21 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 38 K H H 85.89 7.73 23.63 31.48 92.06 48.62 -66.02 -41.02 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 39 L H H 3.41 24.71 16.95 42.04 91.85 49.21 -64.25 -43.31 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 40 V H H 23.80 14.33 17.39 32.65 91.54 50.42 -62.87 -42.62 0.08 0.00 99.92 0.00 0.00 0.05 99.90 0.04 0.00 0.00 0.00 41 A H H 78.35 1.36 21.77 21.10 91.73 50.24 -64.22 -40.52 0.27 0.00 99.73 0.01 0.01 0.23 99.66 0.10 0.00 0.00 0.00 42 M H H 85.42 9.14 17.44 27.21 92.01 49.47 -67.15 -36.10 1.36 0.00 98.64 0.03 0.03 1.30 98.50 0.14 0.00 0.00 0.00 43 L H H 31.15 17.16 12.50 29.71 97.49 38.06 -96.44 -0.43 26.78 0.01 73.21 0.47 1.09 24.64 73.28 0.50 0.01 0.00 0.01 44 D C T 131.97 0.68 19.43 17.88 93.34 -122.97 56.14 41.94 99.87 0.00 0.12 5.05 1.58 93.29 0.05 0.02 0.00 0.00 0.00 45 L C C 39.81 15.50 10.29 25.84 133.58 127.42 -127.50 160.76 99.85 0.13 0.01 76.77 22.98 0.08 0.01 0.00 0.00 0.03 0.13 46 N C C 96.97 2.68 22.48 24.07 110.25 -98.02 -73.19 131.04 99.93 0.06 0.01 99.65 0.29 0.02 0.00 0.00 0.00 0.02 0.02 47 P H G 55.70 17.32 12.28 28.86 92.00 -131.62 -60.45 -29.96 9.67 0.11 90.23 0.64 0.79 6.14 0.21 92.14 0.00 0.08 0.00 48 E H G 127.14 4.11 21.58 26.74 90.43 65.12 -70.19 -16.54 9.77 0.19 90.04 0.42 0.76 6.73 0.19 91.75 0.00 0.14 0.00 49 T H G 29.98 14.70 18.86 34.14 97.53 56.06 -97.31 -0.06 8.74 0.84 90.42 1.07 1.20 5.06 0.29 91.61 0.00 0.77 0.01 50 T E E 5.01 24.87 16.88 42.13 121.29 89.88 -107.55 132.78 3.06 96.93 0.01 2.67 0.37 0.02 0.00 0.01 0.00 96.53 0.40 51 V E E 27.46 13.40 26.76 40.66 119.55 -163.83 -113.93 128.00 1.25 98.75 0.00 1.08 0.08 0.01 0.00 0.00 0.00 98.80 0.03 52 I E E 20.11 21.87 18.25 39.93 110.94 -134.77 -85.10 119.76 0.74 99.25 0.01 0.70 0.02 0.00 0.00 0.00 0.00 99.25 0.02 53 Q E E 71.63 9.28 21.30 31.28 100.33 176.40 -93.06 -34.96 3.15 96.83 0.02 2.11 0.76 0.07 0.00 0.01 0.00 97.02 0.03 54 Y E E 100.09 5.76 24.36 30.83 140.18 -0.91 -155.85 151.07 1.81 98.18 0.01 1.34 0.21 0.02 0.00 0.00 0.00 98.41 0.02 55 I E E 42.62 21.74 12.87 33.38 123.72 -161.94 -127.00 128.89 1.53 98.46 0.01 1.39 0.06 0.01 0.00 0.00 0.00 98.50 0.03 56 R E E 117.79 4.56 21.92 27.12 126.37 -174.41 -129.46 141.90 2.87 97.12 0.02 2.53 0.20 0.02 0.01 0.01 0.00 97.08 0.14 57 S E E 52.56 12.37 11.49 24.05 119.42 -138.65 -99.28 142.44 27.72 72.23 0.05 25.28 1.43 0.12 0.01 0.03 0.00 72.77 0.37 58 Y C C 122.38 5.74 12.51 20.00 117.99 -156.93 -108.76 132.39 72.87 26.48 0.65 62.48 7.98 1.59 0.16 0.55 0.00 24.22 3.01 59 F C T 168.35 1.83 11.14 14.23 108.52 -87.06 -64.32 127.60 91.83 4.63 3.55 2.87 12.27 76.83 0.18 3.57 0.00 3.38 0.91 60 G C T 66.53 0.56 12.80 11.93 97.50 10.30 82.95 -2.09 95.19 0.65 4.15 2.45 11.85 80.45 0.20 4.39 0.00 0.44 0.23 61 S C S 50.34 6.55 9.75 18.18 126.18 95.64 -114.61 158.10 94.22 1.81 3.97 14.92 58.97 19.98 0.29 4.04 0.00 1.00 0.78 62 Y C S 153.68 4.99 14.15 20.55 98.07 -131.34 -86.10 4.94 96.92 2.63 0.45 14.65 59.50 22.65 0.03 0.49 0.00 2.41 0.27 63 K E E 87.85 8.36 17.89 27.24 123.38 95.23 -105.08 143.93 41.60 58.33 0.07 31.15 10.28 0.44 0.01 0.07 0.00 56.54 1.51 64 S E E 13.14 19.45 15.01 34.53 125.29 -159.34 -112.79 145.27 8.45 91.54 0.01 7.52 0.45 0.02 0.00 0.00 0.00 91.83 0.18 65 K E E 75.68 10.02 24.56 34.84 123.66 -154.74 -116.87 138.37 1.00 99.00 0.00 0.76 0.09 0.00 0.00 0.00 0.00 99.13 0.01 66 G E E 4.14 22.02 17.77 39.60 139.40 168.73 -144.38 166.43 0.16 99.84 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 67 Y E E 53.38 12.40 26.72 39.85 128.34 -149.74 -127.81 142.85 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 68 A E E 2.79 25.41 19.65 45.49 126.18 -165.62 -122.64 138.94 0.15 99.85 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 69 K E E 41.67 14.17 27.46 41.84 119.69 -156.82 -111.89 129.53 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 70 Y E E 17.04 21.91 21.46 43.11 119.93 -158.70 -107.71 131.21 3.11 96.88 0.00 2.89 0.11 0.00 0.00 0.00 0.00 96.83 0.16 71 Y E E 21.37 16.72 18.22 35.83 125.95 -166.47 -114.73 151.99 37.16 62.72 0.11 35.81 1.13 0.12 0.04 0.07 0.00 60.99 1.84 72 Y C S 134.63 7.10 20.22 28.15 94.28 -139.03 -76.05 -24.52 99.54 0.40 0.05 3.98 94.67 1.04 0.01 0.02 0.00 0.25 0.04 73 D C S 68.15 4.02 21.83 25.65 129.14 34.03 -129.77 149.87 98.32 1.07 0.61 34.69 62.50 1.29 0.39 0.16 0.00 0.30 0.66 74 K H H 92.43 13.99 12.73 26.69 92.91 -129.88 -61.36 -35.25 8.08 0.02 91.90 0.58 0.89 5.78 78.59 14.13 0.02 0.01 0.01 75 D H H 104.12 1.48 19.69 20.01 91.99 55.35 -64.14 -39.73 6.32 0.01 93.67 0.32 0.41 4.90 80.01 14.33 0.01 0.00 0.01 76 R H H 93.04 6.80 17.96 25.84 92.37 48.29 -66.61 -39.30 3.51 0.01 96.48 0.35 0.28 2.40 81.53 15.43 0.00 0.01 0.00 77 M H H 8.72 23.18 11.46 34.46 91.38 52.62 -63.48 -41.41 2.25 0.01 97.74 0.30 0.19 1.46 84.81 13.23 0.00 0.01 0.00 78 L H H 77.59 10.21 17.45 28.19 91.34 54.00 -66.27 -30.48 7.10 0.03 92.86 0.47 0.37 5.71 73.69 19.71 0.02 0.02 0.02 79 Y H H 162.94 1.67 21.65 22.05 93.83 51.14 -73.99 -29.46 16.64 0.03 83.33 0.47 0.69 15.17 68.59 15.00 0.03 0.02 0.02 80 I H H 52.99 13.33 16.89 30.43 101.33 33.20 -98.96 -23.67 27.75 0.17 72.08 1.29 3.37 23.32 65.32 6.39 0.12 0.06 0.12 81 E C S 20.19 22.17 10.83 32.10 122.17 78.34 -102.34 140.58 99.53 0.24 0.24 17.26 82.03 0.27 0.21 0.03 0.00 0.05 0.15 82 P C C 54.05 5.91 18.51 25.75 113.59 -106.39 -65.08 144.99 99.03 0.33 0.63 98.47 0.52 0.18 0.50 0.04 0.00 0.07 0.21 83 E H H 117.53 6.98 14.30 23.00 92.05 -118.49 -58.24 -37.74 5.55 0.02 94.43 0.87 0.87 3.71 93.22 1.30 0.01 0.01 0.01 84 Y H H 127.87 3.04 18.45 21.57 91.86 55.72 -64.56 -39.29 3.25 0.04 96.72 0.41 0.33 2.54 94.99 1.68 0.02 0.02 0.01 85 I H H 31.40 11.87 15.67 29.02 92.22 49.06 -65.82 -41.54 1.36 0.18 98.46 0.34 0.18 0.91 96.60 1.77 0.02 0.17 0.01 86 L H H 15.98 16.93 12.44 30.04 91.85 50.81 -63.78 -42.47 1.55 0.78 97.67 0.52 0.23 0.89 96.57 1.13 0.03 0.58 0.05 87 I H H 100.02 3.49 16.90 21.08 92.32 49.46 -65.19 -40.84 3.66 0.98 95.36 0.97 0.43 2.41 93.45 1.73 0.06 0.89 0.07 88 R H H 145.11 3.12 15.85 19.81 92.17 52.08 -67.26 -32.81 9.55 0.27 90.19 0.89 0.69 7.93 88.85 1.31 0.09 0.18 0.06 89 D C T 55.21 11.18 12.77 24.86 95.54 46.85 -90.70 -0.76 62.72 0.16 37.13 1.47 2.74 55.78 38.49 1.34 0.03 0.06 0.09 90 G C T 51.73 2.69 18.23 21.26 95.65 -114.78 75.90 15.81 94.77 0.36 4.86 11.97 10.11 72.68 3.89 1.01 0.00 0.18 0.16 91 I C C 47.47 13.99 11.81 26.18 104.39 130.39 -89.29 33.77 86.05 2.36 11.59 61.53 17.64 6.66 7.74 4.09 0.00 1.17 1.18 92 I C C 73.53 11.06 13.04 24.68 117.09 75.43 -98.48 136.71 80.15 4.88 14.97 52.57 20.03 7.67 9.91 5.22 0.01 2.74 1.85 93 E C C 123.37 4.39 14.89 20.60 114.77 -136.26 -91.98 138.65 81.50 5.57 12.94 64.08 11.91 5.32 8.33 4.81 0.00 3.70 1.85 94 K C C 129.17 5.75 11.25 18.84 113.66 -113.58 -85.42 135.01 83.94 5.18 10.88 69.62 9.78 4.56 6.81 3.96 0.00 3.67 1.60 95 K C C 129.47 4.57 9.70 16.23 114.16 -124.88 -86.29 139.48 84.40 4.55 11.06 69.41 8.33 6.65 5.90 5.05 0.00 3.25 1.40 96 E C C 148.52 2.13 9.33 13.22 109.54 -116.97 -78.63 130.41 86.88 3.65 9.48 51.06 16.10 20.28 3.88 5.19 0.00 2.50 0.98 97 G C C 58.56 1.80 10.37 13.34 108.59 13.53 84.87 32.81 93.35 1.80 4.86 71.61 3.43 19.19 1.52 2.40 0.00 1.25 0.58 98 E C C 127.22 4.25 9.79 15.77 108.19 132.10 -85.91 108.77 99.88 0.08 0.03 99.75 0.12 0.07 0.01 0.00 0.00 0.04 0.01