# 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 V C C 85.00 7.20 11.51 20.26 119.36 -163.54 -102.96 132.36 99.81 0.18 0.01 99.78 0.08 0.03 0.00 0.00 0.00 0.09 0.01 1 Q C C 124.29 3.57 10.72 16.34 118.01 -154.50 -102.94 132.30 87.76 10.98 1.26 86.53 0.75 1.27 0.46 0.44 0.00 8.84 1.72 2 R C C 147.14 4.44 10.30 16.81 121.70 -165.54 -116.66 139.05 74.88 22.54 2.58 62.99 8.28 3.00 0.95 1.67 0.00 19.55 3.57 3 L C C 91.07 8.02 9.84 19.32 116.73 -131.32 -93.19 132.42 70.71 26.88 2.41 62.32 5.57 1.89 0.92 1.44 0.00 23.94 3.92 4 T C C 75.44 6.19 13.11 20.96 119.96 -165.02 -110.85 137.21 71.45 26.22 2.33 58.01 10.05 2.72 0.94 1.48 0.00 23.27 3.53 5 Y C C 122.07 8.18 11.48 21.03 117.28 -145.39 -102.33 129.23 74.95 23.08 1.97 59.22 12.25 2.83 0.83 1.30 0.00 19.35 4.22 6 R C C 135.53 5.94 12.24 19.96 117.97 -165.10 -108.70 131.69 83.55 15.03 1.42 71.14 9.54 2.24 0.55 0.89 0.00 12.78 2.87 7 R C C 142.92 5.43 11.73 18.83 116.36 -141.64 -97.27 132.74 87.34 10.97 1.70 72.28 11.93 2.78 0.63 1.08 0.00 8.18 3.12 8 R C C 136.41 5.79 11.35 18.78 116.03 -139.89 -93.06 136.68 89.92 7.58 2.50 77.14 9.82 2.75 0.90 1.55 0.00 4.67 3.18 9 L C C 99.68 6.60 10.91 18.88 106.62 -119.54 -75.86 107.58 81.74 4.00 14.26 60.93 10.48 8.95 1.89 13.84 0.00 2.44 1.47 10 S C C 79.82 3.36 12.93 17.59 99.17 107.88 -77.66 -13.53 79.03 3.61 17.36 32.30 22.83 24.05 1.85 15.73 0.00 2.02 1.21 11 Y C C 120.40 7.52 11.81 20.57 103.83 60.38 -96.48 22.07 74.93 7.78 17.29 36.09 19.18 20.35 2.23 14.97 0.01 4.29 2.86 12 N C C 75.13 9.60 10.98 21.68 111.97 107.42 -92.74 118.67 88.25 7.72 4.02 71.48 12.53 3.74 1.44 2.59 0.00 4.22 4.00 13 T C C 55.68 7.80 11.80 21.24 125.88 -162.10 -112.68 159.96 86.78 9.55 3.67 66.34 14.98 4.36 1.55 2.15 0.00 3.88 6.75 14 A C T 90.66 2.07 13.90 16.93 93.85 -107.00 -66.88 -24.99 82.69 2.03 15.27 13.27 27.09 42.88 1.72 12.98 0.01 1.09 0.97 15 S C T 65.15 5.03 13.31 19.58 98.34 58.45 -83.90 -7.35 83.61 2.46 13.93 13.28 25.00 45.60 1.41 12.33 0.00 1.44 0.93 16 N C C 72.87 11.75 12.27 24.23 104.20 -127.58 -60.32 76.24 78.06 10.65 11.29 41.27 23.03 14.55 1.42 10.13 0.01 7.53 2.07 17 K C C 96.50 7.00 16.97 25.02 116.38 156.44 -97.22 135.16 70.96 28.31 0.73 59.88 7.69 1.80 0.16 0.59 0.00 28.68 1.21 18 T E E 60.37 12.95 14.18 27.39 123.41 -149.01 -112.03 138.25 14.98 84.96 0.06 14.01 0.78 0.09 0.02 0.03 0.00 84.69 0.38 19 R E E 90.83 8.68 17.34 27.35 129.04 -175.35 -130.29 147.33 1.85 98.14 0.01 1.79 0.09 0.01 0.00 0.01 0.00 98.03 0.07 20 L E E 85.35 8.57 16.38 26.05 115.90 -123.89 -89.86 132.12 1.08 98.91 0.00 1.06 0.02 0.00 0.00 0.00 0.00 98.88 0.03 21 S E E 26.01 12.18 13.61 27.25 130.91 -177.36 -129.33 154.36 1.79 98.20 0.01 1.64 0.07 0.01 0.00 0.00 0.00 98.24 0.04 22 R E E 145.58 4.03 15.55 21.03 115.70 -124.16 -98.14 129.69 6.61 93.38 0.02 6.02 0.42 0.03 0.00 0.01 0.00 92.94 0.58 23 T C C 33.60 12.39 8.70 21.80 122.97 -147.81 -90.92 161.33 91.13 8.75 0.12 89.76 1.20 0.22 0.02 0.07 0.00 8.24 0.48 24 P C T 99.89 3.30 12.08 16.82 107.47 -87.66 -62.48 136.55 89.29 1.12 9.59 1.70 6.11 79.68 0.20 11.28 0.00 0.80 0.22 25 G C T 58.40 1.61 12.05 13.85 96.82 19.19 76.69 -0.78 89.92 0.20 9.88 0.87 4.69 82.42 0.19 11.65 0.00 0.11 0.08 26 N C S 122.91 2.36 11.81 15.57 96.56 -94.14 73.92 15.46 90.58 1.11 8.31 15.59 55.93 18.15 0.44 8.83 0.00 0.62 0.44 27 R C C 119.43 4.49 11.88 18.39 118.64 136.33 -89.79 141.56 77.98 21.88 0.15 73.46 3.43 0.41 0.04 0.10 0.00 21.20 1.36 28 I E E 80.18 8.22 13.32 23.31 115.34 -128.97 -92.43 128.22 2.67 97.32 0.00 2.48 0.09 0.00 0.00 0.00 0.00 97.28 0.14 29 V E E 38.82 11.44 14.81 28.08 123.37 -170.10 -119.65 136.94 0.35 99.65 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.00 30 Y E E 70.38 11.71 16.47 29.59 118.06 -145.86 -105.53 129.45 0.18 99.82 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 31 L E E 47.76 11.41 17.69 30.56 118.94 -161.53 -108.93 128.72 0.68 99.32 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.33 0.02 32 Y E E 62.88 13.32 15.98 30.28 120.42 -163.85 -111.85 132.65 10.61 89.37 0.02 9.92 0.43 0.03 0.01 0.01 0.00 89.24 0.36 33 T C E 54.53 9.68 17.57 28.32 117.37 -164.12 -108.18 126.41 51.30 48.31 0.39 45.99 3.87 0.57 0.12 0.27 0.00 47.84 1.36 34 K C C 96.28 10.67 13.75 25.14 114.80 -151.21 -92.38 135.65 79.70 19.52 0.78 65.82 11.87 1.74 0.24 0.62 0.00 16.72 2.99 35 K C C 117.65 4.91 15.34 21.60 119.07 -129.02 -94.22 140.58 90.08 8.98 0.94 75.65 11.92 2.24 0.30 0.72 0.00 5.31 3.86 36 V C T 99.95 6.03 12.44 20.24 111.06 -104.89 -67.35 134.86 93.29 4.69 2.02 16.07 16.02 61.30 0.33 1.76 0.00 2.93 1.58 37 G C T 48.95 4.37 14.76 20.40 102.61 18.82 85.98 -0.83 96.68 2.17 1.15 13.29 18.56 64.83 0.13 1.14 0.00 1.57 0.47 38 K C C 126.89 4.02 16.64 22.11 119.81 112.01 -103.83 138.70 92.20 7.16 0.64 64.91 24.84 2.19 0.16 0.55 0.00 2.78 4.57 39 A C C 39.56 14.88 12.57 27.41 121.25 -114.75 -85.13 147.23 94.18 5.60 0.22 76.79 16.74 0.79 0.06 0.17 0.00 2.97 2.49 40 P C C 43.08 13.46 14.60 28.86 115.41 -100.50 -65.09 149.19 95.45 4.16 0.39 85.62 8.48 1.46 0.09 0.31 0.00 2.47 1.55 41 K C C 144.17 4.07 18.66 24.11 108.69 -129.77 -84.45 113.42 82.24 16.66 1.10 65.25 13.42 1.99 0.43 0.75 0.00 7.88 10.29 42 S C C 41.97 12.51 15.59 28.48 126.45 43.58 -122.25 143.55 80.04 18.59 1.37 66.54 9.66 2.84 0.39 1.14 0.00 13.07 6.36 43 A C C 54.75 9.14 19.39 28.98 118.26 -156.18 -108.86 142.75 71.07 27.30 1.62 42.36 23.09 5.55 0.44 1.39 0.00 16.23 10.93 44 C C C 27.48 17.93 12.68 30.17 112.22 -115.44 -90.35 127.40 71.49 26.81 1.70 37.39 23.59 10.73 0.53 1.41 0.02 14.14 12.19 45 G C T 47.32 4.99 18.86 24.16 97.70 -139.04 -50.28 -30.99 97.39 1.83 0.78 3.99 45.48 48.10 0.05 0.75 0.00 1.22 0.39 46 V C S 82.72 7.60 17.19 25.39 100.37 30.31 -95.26 -21.79 97.13 2.09 0.77 2.84 49.65 44.98 0.06 0.61 0.00 1.30 0.55 47 C C S 31.10 15.14 10.72 25.99 118.45 47.43 -123.72 112.64 83.83 15.54 0.63 20.41 59.46 4.13 0.13 0.50 0.00 7.16 8.20 48 P C T 101.04 3.00 17.30 21.07 102.36 -138.12 -67.27 24.11 89.54 8.35 2.11 17.97 30.29 41.46 0.21 2.22 0.00 6.34 1.52 49 G C T 39.34 5.91 17.96 24.51 123.70 39.56 84.34 -4.35 86.99 10.19 2.82 17.70 33.15 36.52 0.39 2.55 0.00 7.85 1.82 50 R C C 118.61 8.88 19.21 28.37 117.96 -57.71 -87.63 138.99 72.02 26.03 1.95 56.08 12.04 2.49 0.67 1.42 0.00 10.59 16.71 51 L C C 12.13 23.79 11.57 34.93 111.58 -119.60 -88.70 126.17 79.98 18.38 1.64 72.25 4.78 1.61 0.50 1.20 0.00 9.36 10.30 52 R C T 142.06 4.99 23.05 28.73 109.99 -139.41 -77.36 131.42 88.91 8.81 2.29 18.03 15.52 55.69 0.44 1.87 0.01 6.13 2.31 53 G C T 30.15 10.57 20.97 31.27 100.49 18.53 90.86 -2.29 91.79 6.56 1.66 15.30 18.14 58.51 0.25 1.52 0.00 5.29 0.98 54 V C C 14.71 23.66 12.62 35.77 117.39 110.27 -93.47 129.44 79.18 20.30 0.52 68.59 9.22 0.74 0.23 0.35 0.00 13.39 7.48 55 R C C 122.08 6.01 24.12 30.58 121.07 -150.56 -101.07 140.91 68.75 30.87 0.37 66.16 2.36 0.40 0.19 0.20 0.00 21.37 9.33 56 A C C 50.12 14.38 17.09 31.06 114.26 -110.08 -71.55 137.95 78.80 20.76 0.44 71.09 7.07 0.58 0.24 0.25 0.00 15.03 5.74 57 V C C 32.06 15.91 13.22 29.44 125.35 -164.99 -118.31 147.76 91.13 8.52 0.35 80.28 10.80 0.32 0.25 0.12 0.00 3.74 4.49 58 R C C 123.19 3.39 19.19 22.41 116.25 -106.54 -74.25 148.32 99.13 0.47 0.40 95.85 3.18 0.20 0.33 0.05 0.00 0.18 0.21 59 P H H 73.74 8.96 11.53 21.85 91.56 -111.73 -57.26 -38.47 9.39 0.10 90.52 2.04 1.42 5.90 81.52 9.01 0.02 0.05 0.04 60 K H H 144.84 1.15 15.78 16.04 91.68 54.93 -64.57 -36.75 6.02 0.09 93.90 0.88 0.67 4.18 83.38 10.78 0.03 0.06 0.02 61 V H H 59.98 6.16 14.03 21.87 93.09 48.57 -68.50 -38.83 3.63 0.10 96.27 0.81 0.45 2.24 86.17 10.22 0.01 0.08 0.02 62 L H H 37.41 16.62 10.16 26.24 91.86 54.26 -64.60 -37.83 3.97 0.08 95.95 0.79 0.44 2.51 85.08 11.09 0.01 0.06 0.02 63 M H H 121.66 3.70 14.94 19.87 91.25 58.08 -68.50 -23.12 36.74 0.13 63.13 1.00 1.27 34.95 52.29 10.23 0.09 0.07 0.09 64 R C T 176.48 1.07 16.14 16.06 94.91 55.02 -88.57 -6.97 59.15 0.14 40.70 1.49 2.35 55.86 31.64 8.42 0.04 0.07 0.13 65 L C S 39.75 15.55 6.93 21.83 118.34 103.88 -76.74 145.82 94.76 0.87 4.37 35.74 56.29 2.49 3.62 0.78 0.00 0.21 0.87 66 S C C 59.98 2.48 16.32 18.68 117.85 -114.28 -75.82 154.12 95.95 2.36 1.69 92.41 2.38 0.69 1.02 0.41 0.00 0.64 2.45 67 K H G 133.85 6.76 10.92 19.38 92.03 -111.42 -59.86 -33.70 39.59 0.48 59.93 2.73 5.23 31.12 5.01 55.29 0.03 0.26 0.33 68 T H G 105.92 1.80 14.34 16.59 92.34 60.78 -70.52 -22.05 41.29 0.26 58.45 1.77 4.17 34.57 4.68 54.45 0.01 0.14 0.20 69 K H G 122.59 4.80 14.47 20.47 96.06 51.70 -87.98 -6.96 37.36 0.61 62.04 6.53 7.78 22.64 5.42 56.91 0.02 0.31 0.39 70 K C C 66.07 15.84 11.70 26.90 107.04 86.47 -83.13 94.48 87.60 1.96 10.45 62.96 20.28 4.29 5.92 4.09 0.00 0.66 1.79 71 H C C 100.12 6.68 19.39 26.89 122.05 139.98 -112.72 140.46 86.75 9.94 3.31 71.52 11.30 1.85 2.14 1.17 0.00 3.08 8.92 72 V C C 40.12 17.76 12.25 29.42 109.35 -134.58 -85.11 117.18 90.14 6.53 3.33 74.27 12.22 2.93 1.87 1.42 0.00 2.95 4.33 73 S C C 78.61 3.98 18.33 23.22 100.27 157.97 -99.09 -8.57 92.07 5.74 2.19 70.61 18.01 2.91 1.12 1.04 0.00 2.27 4.04 74 R C S 108.23 6.37 16.28 23.85 128.88 70.99 -111.12 158.81 80.01 8.42 11.57 26.97 41.85 10.44 4.44 5.84 0.19 2.53 7.73 75 A C T 59.80 10.34 15.03 25.86 94.30 -101.48 -63.48 -29.92 81.22 0.77 18.01 2.71 11.97 66.38 2.74 15.17 0.01 0.40 0.62 76 Y C T 120.54 9.06 15.39 25.06 98.34 39.41 -91.10 7.12 80.63 1.16 18.21 3.47 11.15 65.45 2.50 16.03 0.01 0.66 0.72 77 G C C 32.57 10.35 15.39 26.13 110.05 -110.85 46.64 23.58 77.75 6.44 15.81 27.53 23.81 26.78 3.86 11.15 0.06 2.50 4.31 78 G C T 32.73 8.96 16.14 25.70 123.13 46.75 92.31 -168.14 84.60 4.67 10.72 26.15 26.01 32.73 2.27 8.16 0.01 2.10 2.57 79 S C S 66.56 7.57 18.09 26.24 97.24 -55.45 -83.64 -13.41 82.82 6.07 11.11 18.24 37.65 27.92 2.95 7.29 0.02 3.31 2.61 80 M C S 64.22 13.03 16.35 29.51 119.69 75.86 -92.41 144.68 74.07 17.42 8.51 24.98 38.63 9.79 4.19 3.76 0.12 6.20 12.32 81 C C C 36.41 10.47 18.80 30.10 117.60 -102.82 -78.47 153.38 88.95 7.62 3.43 80.88 5.81 1.45 2.86 0.68 0.00 2.70 5.61 82 A H H 39.01 13.80 16.23 30.23 92.22 -113.27 -59.99 -36.48 3.56 0.02 96.42 0.71 0.61 2.12 95.84 0.71 0.00 0.01 0.01 83 K H H 125.15 3.13 22.80 26.06 91.75 53.38 -64.87 -40.31 1.84 0.01 98.15 0.23 0.19 1.35 97.45 0.78 0.00 0.00 0.00 84 C H H 31.23 9.42 19.69 30.37 92.19 49.06 -65.68 -41.98 1.18 0.01 98.81 0.25 0.12 0.76 97.98 0.88 0.00 0.00 0.00 85 V H H 10.49 19.79 16.78 37.02 91.95 50.26 -63.97 -43.55 0.49 0.01 99.50 0.18 0.06 0.23 99.40 0.14 0.00 0.00 0.00 86 R H H 90.48 10.67 20.96 31.58 91.51 50.97 -62.82 -42.33 0.39 0.00 99.61 0.09 0.03 0.22 99.60 0.06 0.00 0.00 0.00 87 D H H 74.17 3.46 23.17 26.16 91.79 49.66 -64.64 -41.40 0.30 0.00 99.70 0.09 0.03 0.16 99.69 0.04 0.00 0.00 0.00 88 R H H 79.14 10.67 20.62 31.49 92.11 49.38 -65.49 -41.48 0.22 0.00 99.77 0.05 0.01 0.13 99.78 0.03 0.00 0.00 0.00 89 I H H 29.29 17.55 18.09 35.69 92.04 49.14 -64.68 -42.45 0.16 0.00 99.84 0.04 0.01 0.08 99.85 0.02 0.00 0.00 0.00 90 K H H 96.65 7.93 21.05 29.15 91.60 50.44 -63.23 -42.21 0.14 0.00 99.86 0.03 0.01 0.07 99.87 0.02 0.00 0.00 0.00 91 R H H 124.87 3.18 22.40 25.20 91.89 48.96 -64.91 -41.64 0.17 0.00 99.83 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 92 A H H 24.13 10.63 18.58 30.63 91.70 49.96 -64.40 -41.87 0.20 0.00 99.80 0.01 0.01 0.14 99.81 0.03 0.00 0.00 0.00 93 F H H 54.40 13.33 18.40 31.98 92.15 48.86 -64.93 -41.85 0.45 0.00 99.55 0.04 0.02 0.31 99.58 0.05 0.00 0.00 0.00 94 L H H 77.72 5.74 20.02 26.08 91.86 49.72 -64.51 -41.23 0.84 0.00 99.16 0.07 0.04 0.60 99.20 0.07 0.00 0.00 0.00 95 I H H 80.22 3.74 20.31 24.05 91.91 49.17 -64.96 -42.24 0.83 0.00 99.17 0.11 0.06 0.55 99.22 0.07 0.00 0.00 0.00 96 E H H 65.28 8.87 18.37 27.96 91.84 49.41 -65.07 -41.34 0.43 0.00 99.57 0.06 0.03 0.26 99.61 0.05 0.00 0.00 0.00 97 E H H 63.43 10.36 17.24 28.21 91.69 50.60 -64.36 -40.73 0.33 0.00 99.67 0.03 0.02 0.20 99.71 0.04 0.00 0.00 0.00 98 Q H H 93.91 4.06 19.09 23.35 91.77 51.00 -64.93 -40.14 0.26 0.00 99.74 0.02 0.01 0.15 99.78 0.03 0.00 0.00 0.00 99 K H H 107.42 3.41 19.34 22.71 91.99 50.48 -65.43 -40.81 0.27 0.00 99.73 0.03 0.01 0.16 99.77 0.03 0.00 0.00 0.00 100 I H H 57.62 8.32 17.09 26.29 92.16 49.38 -65.13 -42.38 0.20 0.00 99.80 0.03 0.01 0.11 99.83 0.02 0.00 0.00 0.00 101 V H H 61.41 6.63 17.24 24.52 91.91 49.50 -64.04 -42.39 0.14 0.00 99.86 0.02 0.00 0.07 99.89 0.01 0.00 0.00 0.00 102 V H H 75.23 2.93 18.21 21.10 91.61 49.39 -63.90 -42.15 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 103 K H H 106.41 3.55 17.99 21.75 91.87 49.78 -64.95 -41.15 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 104 V H H 61.08 6.71 15.85 23.27 92.05 49.08 -64.64 -42.23 0.15 0.00 99.85 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 105 L H H 84.86 3.61 16.59 20.61 91.85 49.72 -64.34 -41.26 0.24 0.00 99.76 0.03 0.01 0.14 99.80 0.03 0.00 0.00 0.00 106 K H H 118.98 1.93 16.73 18.26 91.89 49.99 -64.87 -40.70 0.51 0.00 99.49 0.06 0.03 0.30 99.54 0.06 0.00 0.00 0.00 107 A H H 46.58 3.65 14.28 19.20 91.70 50.50 -64.23 -40.39 1.01 0.00 98.99 0.15 0.07 0.60 99.04 0.14 0.00 0.00 0.00 108 Q H H 95.89 2.97 14.11 17.59 91.93 50.26 -65.28 -39.52 2.10 0.01 97.89 0.37 0.17 1.27 97.89 0.29 0.00 0.00 0.00 109 A H H 60.42 2.13 12.31 15.20 92.19 51.20 -65.14 -38.86 4.70 0.02 95.28 0.90 0.44 2.94 95.01 0.68 0.00 0.01 0.01 110 Q H H 123.36 1.49 11.34 13.33 92.72 52.48 -68.46 -33.68 11.19 0.04 88.77 1.80 1.14 7.73 87.91 1.36 0.01 0.02 0.02 111 S H H 83.48 1.68 9.57 12.08 94.56 54.65 -73.41 -23.10 30.63 0.15 69.22 5.55 3.61 21.21 67.82 1.64 0.02 0.05 0.09 112 Q C H 139.08 1.32 8.68 10.93 99.40 60.80 -81.70 -8.21 61.68 0.30 38.02 31.77 2.47 25.87 38.06 1.54 0.00 0.11 0.18 113 K C C 154.61 1.88 10.09 13.40 105.90 98.80 -78.23 89.90 99.89 0.03 0.07 99.67 0.12 0.14 0.05 0.00 0.00 0.01 0.01