# 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 74.61 9.20 15.24 25.30 118.08 -163.41 -104.97 129.55 99.44 0.55 0.01 99.54 0.08 0.02 0.00 0.00 0.00 0.33 0.03 1 L C C 95.42 7.36 13.36 22.09 113.87 -138.79 -90.12 126.81 80.07 19.01 0.92 79.68 0.82 0.71 0.54 0.25 0.00 13.78 4.23 2 L C C 66.58 12.20 10.33 22.98 114.91 -147.49 -92.83 132.91 82.50 14.94 2.56 72.07 7.66 2.28 1.70 0.94 0.00 11.23 4.11 3 E C C 119.89 4.15 15.55 20.77 110.61 -152.36 -92.26 119.21 92.83 4.19 2.98 83.64 7.10 2.24 2.16 0.84 0.00 2.62 1.42 4 S H H 44.84 10.65 12.05 23.32 105.62 -121.62 -84.46 -14.25 44.94 0.74 54.32 23.81 15.63 5.42 53.27 1.29 0.01 0.22 0.35 5 E H H 126.98 3.48 15.12 19.74 93.61 55.09 -64.85 -36.60 8.22 0.05 91.72 1.94 1.36 4.91 90.35 1.39 0.01 0.02 0.02 6 Q H H 103.02 2.85 17.81 20.81 92.28 52.60 -65.56 -40.18 2.95 0.03 97.03 0.89 0.39 1.66 95.94 1.09 0.00 0.01 0.01 7 F H H 26.08 16.74 14.71 31.91 91.91 50.62 -64.23 -42.98 0.76 0.01 99.23 0.28 0.10 0.34 98.73 0.54 0.00 0.00 0.00 8 L H H 39.97 15.09 17.07 32.32 91.72 50.68 -63.44 -41.23 0.44 0.00 99.55 0.13 0.04 0.21 99.40 0.22 0.00 0.00 0.00 9 T H H 71.15 2.82 22.48 24.38 91.67 50.05 -64.09 -41.66 0.34 0.00 99.65 0.08 0.03 0.18 99.62 0.09 0.00 0.00 0.00 10 E H H 68.70 8.44 21.15 30.24 91.71 49.77 -64.65 -41.52 0.30 0.00 99.70 0.05 0.02 0.16 99.73 0.05 0.00 0.00 0.00 11 L H H 8.73 23.08 16.80 39.89 91.50 50.37 -63.74 -42.09 0.34 0.00 99.66 0.05 0.02 0.19 99.69 0.05 0.00 0.00 0.00 12 T H H 47.25 10.21 20.88 31.63 91.32 51.67 -63.08 -41.43 0.43 0.00 99.57 0.05 0.02 0.25 99.60 0.07 0.00 0.00 0.00 13 R H H 129.43 2.16 24.12 24.81 91.54 50.40 -63.91 -41.83 0.50 0.00 99.50 0.04 0.02 0.37 99.40 0.16 0.00 0.00 0.00 14 L H H 20.60 14.91 18.72 34.59 91.75 50.23 -63.83 -42.93 0.68 0.00 99.32 0.06 0.04 0.51 98.95 0.44 0.00 0.00 0.00 15 F H H 25.44 20.56 15.79 35.95 91.47 50.94 -63.45 -40.98 1.15 0.00 98.84 0.12 0.07 0.86 97.68 1.27 0.00 0.00 0.00 16 Q H H 112.90 3.34 20.24 23.96 91.56 51.13 -64.45 -38.61 4.71 0.01 95.28 0.22 0.22 4.23 93.25 2.06 0.01 0.00 0.00 17 K H H 125.30 2.95 19.91 22.77 92.10 50.88 -70.69 -30.39 12.34 0.02 87.64 0.44 0.73 11.33 85.73 1.73 0.02 0.01 0.01 18 C H H 18.77 17.42 11.47 28.97 98.49 48.94 -92.30 -5.09 42.53 0.96 56.51 12.74 8.66 23.21 50.80 3.50 0.13 0.36 0.62 19 R C T 126.97 10.14 13.89 24.80 94.71 106.86 -63.63 -31.86 65.13 3.48 31.39 24.54 6.89 33.90 19.82 11.07 0.09 1.94 1.75 20 T C T 110.58 1.65 16.43 17.58 97.11 52.11 -84.78 -11.96 70.39 2.74 26.86 12.19 13.21 44.96 14.81 11.73 0.14 1.53 1.42 21 S C T 72.21 4.10 15.77 20.63 104.14 51.03 -99.10 -4.82 77.84 2.43 19.73 16.22 22.90 40.07 7.78 10.48 0.04 1.35 1.17 22 G C S 35.84 7.76 16.23 24.85 109.74 -111.72 89.72 -2.11 90.76 8.22 1.02 20.20 59.99 10.34 0.12 0.91 0.00 7.67 0.75 23 S C C 50.22 8.14 19.44 28.19 128.06 42.21 -119.95 151.63 62.55 37.13 0.32 49.93 9.52 1.26 0.05 0.30 0.00 38.30 0.63 24 V E E 26.72 21.25 13.67 34.35 128.38 -162.84 -129.34 139.58 6.15 93.83 0.02 5.61 0.38 0.02 0.00 0.01 0.00 93.65 0.32 25 Y E E 105.98 7.36 24.24 32.19 121.14 -157.49 -113.28 133.23 0.95 99.05 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.04 0.03 26 I E E 36.33 20.75 15.33 35.72 121.74 -163.93 -116.20 129.87 0.65 99.35 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.33 0.02 27 T E E 50.35 8.01 22.23 31.02 127.75 -173.51 -125.55 143.37 1.86 98.14 0.00 1.78 0.05 0.00 0.00 0.00 0.00 98.12 0.05 28 L E E 60.94 16.31 16.06 32.12 115.80 -136.75 -94.78 131.42 8.02 91.97 0.01 7.44 0.33 0.01 0.00 0.00 0.00 92.01 0.19 29 K E E 82.98 9.51 18.57 28.77 127.81 -171.34 -110.71 147.72 22.87 77.09 0.04 21.26 1.09 0.08 0.01 0.02 0.00 77.08 0.46 30 K E E 120.02 6.93 18.26 26.06 114.43 -107.54 -76.22 137.38 31.75 68.15 0.11 29.70 1.55 0.21 0.03 0.07 0.00 65.83 2.61 31 Y C C 71.74 15.34 10.92 26.12 118.78 -155.34 -111.97 126.67 59.24 40.41 0.35 54.19 3.15 0.66 0.13 0.26 0.00 35.86 5.74 32 D C C 94.57 3.75 16.31 20.91 99.99 -171.99 -98.19 11.46 84.35 14.71 0.94 55.95 17.60 10.50 0.18 0.92 0.00 12.81 2.03 33 G C S 46.05 6.42 12.81 20.54 97.62 -111.01 79.74 9.26 94.97 3.81 1.22 36.11 38.23 20.89 0.16 1.25 0.00 2.26 1.09 34 R C C 127.11 5.19 11.51 18.61 115.77 126.97 -89.56 139.65 94.91 3.72 1.37 54.10 30.17 10.59 0.26 1.27 0.00 1.72 1.88 35 T C C 105.76 2.87 12.84 17.05 101.25 -151.54 -94.47 -7.32 97.33 1.81 0.86 44.52 44.25 8.62 0.15 0.77 0.00 0.86 0.82 36 K C S 128.66 2.95 14.04 18.28 122.46 54.14 -113.43 138.70 98.14 1.65 0.21 29.51 66.93 1.94 0.05 0.15 0.00 0.77 0.65 37 P C C 74.63 9.17 11.53 21.73 110.73 -105.24 -68.06 143.31 97.80 1.98 0.22 65.20 30.68 2.05 0.05 0.18 0.00 0.99 0.85 38 I C C 99.75 5.68 14.79 21.96 118.98 -148.66 -110.05 130.46 93.63 6.19 0.17 71.60 21.93 0.43 0.07 0.10 0.00 2.74 3.13 39 P C C 61.80 11.09 10.47 22.43 114.20 -112.41 -65.35 146.78 91.96 7.13 0.91 86.67 4.03 1.23 0.30 0.54 0.00 3.42 3.82 40 R C C 139.74 4.90 11.93 18.60 113.95 -123.67 -84.71 140.29 93.69 4.28 2.04 74.55 13.80 4.59 0.51 1.61 0.00 1.62 3.33 41 K C T 164.25 1.63 12.88 15.39 109.14 -88.98 -71.79 130.58 92.90 2.81 4.29 22.06 30.24 40.52 0.62 3.77 0.00 1.36 1.43 42 G C T 55.73 2.52 12.89 16.33 103.69 19.30 81.00 -2.08 95.31 1.24 3.44 22.70 30.60 41.65 0.38 3.44 0.00 0.66 0.57 43 S C C 61.86 6.78 11.74 19.89 109.47 96.24 -90.00 96.86 94.18 3.14 2.67 68.81 19.29 5.37 0.55 2.43 0.00 1.32 2.23 44 V C C 64.11 11.61 9.29 21.13 107.74 116.19 -92.11 78.19 92.96 3.85 3.20 77.36 10.07 4.71 0.84 2.51 0.00 1.59 2.92 45 E C T 150.80 1.74 13.27 16.03 109.32 -113.69 -70.19 128.17 96.08 1.40 2.52 18.41 21.06 56.43 0.35 2.34 0.00 0.77 0.65 46 G C T 63.95 0.95 14.66 14.94 98.32 14.02 82.03 -0.11 97.89 0.67 1.45 21.56 19.59 56.54 0.16 1.51 0.00 0.39 0.25 47 F C C 67.87 14.31 7.85 21.70 117.64 127.09 -90.89 137.55 97.83 1.70 0.48 82.93 13.77 0.79 0.15 0.33 0.00 0.55 1.48 48 E C C 117.75 2.93 17.45 20.74 116.00 -138.17 -95.31 132.46 99.29 0.49 0.22 94.59 4.42 0.32 0.08 0.11 0.00 0.17 0.32 49 P C G 68.82 12.43 11.29 23.95 96.38 -120.90 -60.19 -27.44 49.86 0.66 49.49 20.83 5.68 20.43 2.49 49.99 0.00 0.38 0.19 50 S H G 74.80 4.55 16.61 22.35 94.32 66.12 -74.87 -14.04 44.33 0.75 54.93 10.86 6.67 24.42 2.47 54.92 0.00 0.47 0.18 51 D H G 74.90 7.76 17.32 25.94 96.40 69.08 -81.37 -9.17 43.26 1.20 55.53 13.74 10.97 17.24 2.31 54.72 0.00 0.72 0.30 52 N C C 39.73 16.34 16.04 32.13 103.48 67.87 -97.40 22.92 76.94 5.71 17.36 43.94 21.15 12.05 2.02 15.71 0.00 3.77 1.36 53 K C C 58.35 13.51 22.37 36.12 122.28 116.68 -102.07 142.73 61.10 37.77 1.13 48.62 10.37 1.49 0.27 0.93 0.00 36.73 1.58 54 C E E 6.70 22.37 20.05 42.37 130.80 -167.42 -129.28 146.76 5.43 94.55 0.02 4.87 0.46 0.03 0.00 0.01 0.00 94.34 0.28 55 L E E 19.82 17.03 25.32 42.42 117.01 -137.22 -103.90 128.27 0.52 99.48 0.00 0.45 0.03 0.00 0.00 0.00 0.00 99.52 0.01 56 L E E 6.28 23.68 21.51 45.21 123.96 -168.14 -118.18 135.50 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.00 57 R E E 52.74 13.93 25.56 39.52 123.15 -165.02 -116.42 134.60 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 58 A E E 6.01 21.53 18.21 40.20 124.74 -168.45 -119.18 137.65 0.98 99.01 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.05 0.01 59 T E E 42.49 10.62 19.92 31.60 125.19 -165.64 -122.15 139.68 8.73 91.25 0.03 6.85 1.38 0.17 0.00 0.02 0.00 91.28 0.31 60 D C E 57.41 10.49 14.65 26.16 111.02 -176.90 -121.53 94.55 51.76 47.91 0.33 36.21 12.08 2.98 0.05 0.34 0.00 47.63 0.72 61 G C S 52.66 2.50 15.28 18.33 108.44 -57.32 65.26 -123.14 98.27 0.76 0.97 9.98 45.32 42.96 0.06 1.02 0.00 0.52 0.14 62 K C S 176.06 0.68 14.25 13.46 97.79 0.24 -90.80 -10.32 98.00 1.17 0.83 8.65 50.37 39.04 0.05 0.84 0.00 0.90 0.16 63 K E E 106.76 5.85 13.42 21.10 120.70 84.50 -101.95 135.88 36.53 63.32 0.16 29.92 5.08 0.77 0.02 0.14 0.00 63.56 0.49 64 K E E 102.40 10.84 14.51 26.44 124.03 -165.26 -121.83 136.63 5.70 94.30 0.01 5.28 0.23 0.02 0.00 0.00 0.00 94.33 0.13 65 I E E 42.57 13.71 17.89 32.56 125.56 -171.99 -126.24 139.18 0.99 99.01 0.00 0.91 0.03 0.00 0.00 0.00 0.00 99.04 0.02 66 S E E 47.12 13.97 18.83 32.75 130.75 -171.40 -130.25 144.58 0.97 99.03 0.00 0.87 0.02 0.00 0.00 0.00 0.00 99.09 0.01 67 T E E 26.22 16.08 19.83 36.12 134.46 -172.76 -140.53 150.50 0.90 99.10 0.00 0.81 0.01 0.00 0.00 0.00 0.00 99.17 0.01 68 V E E 61.14 12.04 22.84 34.88 118.94 -141.21 -108.92 129.22 0.48 99.52 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.54 0.01 69 V E E 11.08 20.64 16.22 37.11 129.63 -175.94 -126.70 146.55 2.83 97.17 0.00 2.74 0.06 0.00 0.00 0.00 0.00 97.09 0.11 70 S E E 38.13 6.17 22.53 29.24 118.34 -115.35 -73.99 157.35 34.64 65.34 0.01 34.82 0.32 0.01 0.00 0.00 0.00 64.58 0.26 71 S H H 44.12 13.46 14.42 28.42 91.25 -109.97 -58.91 -36.45 4.00 0.01 95.99 0.38 0.37 3.05 91.59 4.59 0.01 0.01 0.00 72 K H H 142.17 1.39 21.11 21.00 91.52 55.56 -64.96 -36.94 1.72 0.00 98.28 0.09 0.09 1.50 93.89 4.42 0.00 0.00 0.00 73 E H H 63.45 10.15 18.20 29.14 92.29 48.61 -67.03 -38.58 1.23 0.00 98.77 0.10 0.07 0.94 93.98 4.90 0.00 0.00 0.00 74 V H H 13.17 21.23 14.11 35.20 91.68 53.68 -62.20 -43.46 1.15 0.00 98.84 0.17 0.11 0.74 98.51 0.47 0.00 0.00 0.00 75 N H H 82.35 4.71 21.15 26.20 91.51 50.90 -63.65 -40.85 1.14 0.00 98.86 0.20 0.08 0.69 98.90 0.13 0.00 0.00 0.00 76 K H H 118.26 2.44 22.19 23.69 91.68 49.61 -64.77 -41.57 0.26 0.00 99.74 0.02 0.01 0.17 99.74 0.06 0.00 0.00 0.00 77 F H H 30.71 16.80 17.68 34.64 92.02 49.66 -64.67 -42.53 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 78 Q H H 56.49 14.65 19.08 33.30 91.57 51.06 -62.75 -41.75 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 79 M H H 105.16 2.48 22.49 23.99 91.76 50.16 -64.45 -41.44 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 80 A H H 39.54 6.32 20.00 27.41 91.61 50.27 -64.08 -42.08 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 81 Y H H 47.52 15.41 17.67 33.23 92.27 49.23 -64.50 -42.00 0.22 0.00 99.78 0.01 0.01 0.16 99.78 0.03 0.00 0.00 0.00 82 S H H 42.56 7.62 18.28 27.11 91.67 51.23 -63.41 -41.35 0.41 0.00 99.59 0.04 0.02 0.28 99.59 0.06 0.00 0.00 0.00 83 N H H 92.56 2.00 20.54 21.30 91.84 49.88 -65.16 -41.01 0.53 0.00 99.46 0.06 0.03 0.38 99.39 0.14 0.00 0.00 0.00 84 L H H 63.97 7.63 17.18 25.95 92.03 49.78 -64.82 -42.21 0.53 0.00 99.47 0.06 0.03 0.37 99.26 0.27 0.00 0.00 0.00 85 L H H 56.08 10.65 14.68 26.29 92.29 49.10 -65.11 -40.72 1.19 0.00 98.81 0.16 0.09 0.82 98.40 0.52 0.00 0.00 0.00 86 R H H 138.89 3.29 15.77 19.98 91.98 51.27 -64.84 -38.27 4.36 0.01 95.63 0.45 0.31 3.46 94.75 1.01 0.01 0.01 0.01 87 A H H 70.57 2.23 15.09 17.50 92.68 53.13 -68.87 -30.99 17.98 0.05 81.96 1.12 1.14 15.91 79.75 2.00 0.03 0.02 0.04 88 N H H 86.67 5.64 12.52 19.49 98.64 47.29 -90.91 -4.38 45.38 0.27 54.36 4.54 3.39 36.57 52.05 3.12 0.04 0.12 0.18 89 M C H 92.78 7.83 8.81 17.86 103.50 82.27 -85.32 21.98 55.69 4.91 39.40 26.51 12.93 18.74 28.36 8.33 0.29 2.12 2.72 90 D C T 115.25 1.69 10.69 13.45 104.14 138.29 -78.47 36.93 64.02 2.50 33.48 13.04 10.80 39.49 17.79 15.86 0.15 1.30 1.56 91 G C T 59.93 1.62 10.47 12.90 100.98 -9.30 77.25 3.87 71.47 1.28 27.25 13.46 11.50 46.60 12.15 14.79 0.03 0.69 0.78 92 L C C 108.47 4.48 7.19 13.46 108.09 110.17 -84.06 95.58 81.00 2.46 16.53 65.97 3.01 13.50 8.02 6.78 0.00 1.49 1.24 93 K C C 149.31 2.43 11.65 15.75 112.82 -162.76 -92.16 126.37 99.77 0.18 0.05 99.65 0.13 0.07 0.02 0.00 0.00 0.09 0.03