# 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 G C C 48.32 3.85 12.15 17.72 120.11 -111.08 -90.89 140.61 99.83 0.16 0.01 99.66 0.18 0.06 0.00 0.00 0.00 0.09 0.02 1 R C C 168.07 2.68 9.70 14.18 116.64 -100.66 -99.96 134.78 88.38 8.24 3.38 84.60 1.61 2.68 1.58 1.34 0.00 5.26 2.93 2 E C C 141.22 2.02 9.09 12.75 116.53 -152.36 -102.53 129.25 77.90 15.48 6.62 62.64 8.45 5.80 2.56 4.33 0.00 10.57 5.63 3 F C G 140.97 4.62 7.18 13.50 113.49 -146.81 -90.98 130.04 53.34 7.70 38.96 27.95 9.18 17.73 4.89 33.17 0.02 5.23 1.84 4 G C G 54.73 2.66 10.61 14.56 103.60 15.01 77.71 -14.06 52.65 4.29 43.06 14.69 11.00 28.30 4.91 37.00 0.04 2.96 1.09 5 N C G 127.22 1.34 11.19 12.94 103.77 61.32 -92.25 36.95 54.75 6.07 39.18 24.43 14.02 18.09 5.17 32.75 0.03 4.15 1.35 6 L C C 98.81 5.77 6.88 14.41 116.48 138.67 -87.63 138.54 68.46 19.29 12.25 50.18 13.03 5.32 6.05 6.49 0.04 14.92 3.98 7 A C C 77.43 2.43 9.23 13.33 118.84 -140.77 -97.72 141.94 61.51 31.84 6.65 50.94 6.50 3.25 4.01 2.69 0.01 30.26 2.34 8 R E E 178.63 1.81 8.01 11.84 116.77 -140.33 -97.65 131.59 41.30 53.38 5.32 33.26 5.42 2.86 3.32 2.22 0.02 49.64 3.25 9 I E E 114.97 2.72 6.58 11.37 119.07 -168.73 -117.21 129.06 39.28 57.38 3.35 31.93 4.42 2.32 2.46 1.37 0.02 50.63 6.84 10 R C T 196.90 0.71 8.25 9.29 110.02 -93.39 -67.80 121.34 81.99 14.37 3.64 26.82 13.00 42.79 1.81 1.58 0.01 12.50 1.48 11 H C T 174.77 0.60 9.19 9.64 96.28 -1.78 64.97 17.38 93.84 3.93 2.23 21.52 17.69 54.92 0.79 1.18 0.00 3.45 0.45 12 V E E 97.22 2.97 6.55 11.63 122.55 107.08 -115.61 137.20 48.15 50.36 1.49 28.39 13.15 8.73 0.61 0.94 0.01 44.95 3.22 13 I E E 121.42 2.46 8.94 13.23 117.11 -147.12 -102.66 128.87 32.74 66.75 0.50 27.62 3.51 1.20 0.26 0.26 0.00 65.39 1.77 14 S E E 74.60 3.93 8.85 15.21 123.90 -166.94 -118.87 140.34 31.68 67.82 0.50 27.24 2.97 0.79 0.25 0.23 0.00 67.19 1.32 15 Y E E 136.26 4.63 10.16 17.03 126.25 -172.75 -128.52 143.60 32.26 67.18 0.56 27.79 3.06 0.82 0.27 0.29 0.00 66.32 1.45 16 S E E 80.25 3.07 11.98 17.26 125.08 -159.92 -122.96 143.52 40.44 59.15 0.41 34.54 4.35 0.81 0.18 0.25 0.00 57.84 2.04 17 L C C 79.07 8.82 8.73 18.87 119.86 -146.44 -101.67 141.70 62.69 37.16 0.16 57.80 3.95 0.25 0.09 0.09 0.00 32.45 5.37 18 S C C 53.87 3.70 12.43 17.64 116.58 -110.43 -72.07 150.54 99.44 0.50 0.06 98.61 0.93 0.06 0.03 0.01 0.00 0.28 0.08 19 P H H 95.45 3.60 10.82 16.18 91.24 -114.97 -58.98 -32.22 23.77 0.12 76.11 1.93 2.04 17.69 45.56 32.62 0.03 0.06 0.06 20 F H H 155.01 1.19 12.28 13.33 92.72 57.77 -70.90 -24.32 21.93 0.17 77.89 1.81 1.82 16.14 44.52 35.47 0.05 0.09 0.09 21 E H H 85.88 5.88 10.58 18.09 96.74 51.01 -86.61 -12.34 16.72 0.46 82.83 4.83 2.60 8.28 46.70 37.15 0.03 0.26 0.15 22 Q H H 74.44 9.51 8.93 19.51 93.28 83.27 -65.07 -35.69 25.88 0.81 73.31 9.05 4.30 11.82 51.01 22.99 0.07 0.41 0.35 23 R H H 178.02 1.08 13.36 14.24 93.43 57.87 -68.43 -28.02 43.32 0.58 56.10 5.81 4.52 30.76 36.44 21.66 0.15 0.31 0.36 24 A C T 75.51 2.12 11.82 14.69 93.90 55.59 -74.02 -25.39 51.12 0.66 48.22 4.44 7.35 37.60 31.06 18.48 0.24 0.33 0.49 25 F C C 90.97 7.46 9.09 17.98 107.32 35.43 -120.92 67.64 89.26 1.35 9.39 43.17 39.16 7.15 5.52 3.30 0.01 0.37 1.31 26 P C T 83.00 3.75 11.49 16.98 107.69 172.63 -63.64 132.88 66.10 0.44 33.47 7.83 4.29 53.54 13.78 19.97 0.01 0.20 0.37 27 S C T 71.76 3.24 12.82 17.10 96.21 29.58 42.70 -2.17 58.26 0.22 41.52 3.91 4.32 48.53 20.35 22.53 0.03 0.10 0.23 28 Y H G 114.06 5.37 10.75 17.97 93.49 88.07 -66.23 -37.08 37.03 0.65 62.32 7.99 5.81 21.80 29.63 34.01 0.06 0.31 0.40 29 F H H 123.82 4.18 11.32 16.99 95.11 48.88 -76.94 -29.52 41.20 1.86 56.94 9.15 7.71 23.28 32.04 25.61 0.31 0.93 0.99 30 S C H 71.24 2.87 12.53 16.39 97.75 49.41 -80.85 -26.91 51.87 2.44 45.69 13.33 13.39 25.49 26.00 18.81 0.33 1.18 1.47 31 K C T 140.69 2.13 13.02 15.74 100.52 40.69 -88.95 -21.86 72.09 1.09 26.83 8.04 16.96 46.95 18.43 8.12 0.12 0.48 0.90 32 G C T 37.32 4.92 12.46 18.68 111.80 31.18 -81.28 -122.64 75.83 1.04 23.13 16.03 19.53 41.18 16.40 5.61 0.05 0.41 0.80 33 I C H 95.15 4.47 12.30 17.96 105.41 8.86 -76.90 -8.16 56.32 1.26 42.42 33.32 15.20 8.81 37.52 3.95 0.02 0.45 0.73 34 P C H 76.42 3.65 13.45 18.20 98.05 51.14 -67.63 -32.51 50.10 0.95 48.95 22.00 7.49 20.86 44.49 4.19 0.04 0.45 0.48 35 N H H 77.35 5.08 12.81 19.32 96.34 49.26 -70.91 -23.68 44.10 0.79 55.11 20.19 6.26 18.49 50.27 3.97 0.04 0.36 0.42 36 V H H 74.77 4.04 13.37 18.86 93.47 74.24 -65.11 -39.83 12.82 0.29 86.89 6.02 2.51 5.08 84.23 1.90 0.02 0.13 0.11 37 L H H 92.77 2.39 14.56 17.24 92.05 51.16 -64.98 -41.14 4.12 0.09 95.79 1.44 0.70 2.08 94.43 1.28 0.01 0.05 0.02 38 R H H 121.28 2.59 14.33 17.46 92.19 49.78 -65.32 -40.72 2.34 0.05 97.61 0.76 0.32 1.26 96.26 1.34 0.01 0.03 0.01 39 R H H 114.72 3.30 13.25 17.75 92.02 50.05 -64.52 -40.85 2.24 0.04 97.72 0.57 0.27 1.36 96.31 1.45 0.01 0.02 0.01 40 T H H 71.83 3.03 13.32 17.29 92.35 49.15 -65.52 -40.57 3.10 0.03 96.87 0.57 0.33 2.10 95.39 1.56 0.01 0.02 0.01 41 R H H 145.83 1.95 14.25 16.15 92.35 49.86 -66.15 -38.00 5.21 0.02 94.77 0.43 0.38 4.24 92.64 2.29 0.01 0.01 0.01 42 E H H 111.04 2.43 13.65 16.58 93.92 47.92 -74.16 -30.24 24.47 0.03 75.49 0.54 0.89 23.70 71.89 2.92 0.03 0.01 0.02 43 R H H 119.17 4.08 12.24 17.68 97.67 47.99 -86.41 -19.83 44.79 0.06 55.15 1.51 1.57 41.06 52.47 3.31 0.02 0.02 0.05 44 I H H 92.63 3.97 11.52 17.10 92.92 69.65 -62.95 -40.89 6.97 0.05 92.98 1.41 0.83 4.30 79.75 13.65 0.01 0.03 0.02 45 L H H 111.81 2.01 13.46 15.61 92.47 52.04 -67.16 -35.43 3.01 0.02 96.98 0.23 0.17 2.27 76.42 20.90 0.00 0.01 0.00 46 R H H 151.40 1.91 13.80 15.95 94.84 47.95 -75.61 -31.90 4.15 0.02 95.84 0.21 0.22 3.35 75.16 21.04 0.01 0.01 0.00 47 V H H 78.57 4.17 12.61 18.11 97.79 42.05 -86.02 -25.62 10.27 0.04 89.69 0.39 0.72 9.08 79.72 10.00 0.04 0.02 0.02 48 A H H 52.54 4.05 12.56 18.22 93.49 69.14 -62.13 -42.46 12.39 0.05 87.55 4.65 4.49 2.71 87.37 0.73 0.00 0.01 0.03 49 P H H 73.93 2.47 14.87 17.58 92.39 50.71 -64.13 -41.04 2.79 0.01 97.21 0.80 0.23 1.40 97.06 0.51 0.00 0.00 0.00 50 P H H 72.53 2.99 14.96 18.66 92.18 50.34 -64.90 -39.24 0.99 0.00 99.01 0.18 0.06 0.59 98.72 0.45 0.00 0.00 0.00 51 F H H 109.75 3.45 14.64 18.90 92.29 50.46 -65.24 -40.89 0.16 0.00 99.84 0.02 0.01 0.09 99.75 0.13 0.00 0.00 0.00 52 V H H 82.44 2.55 15.35 18.11 91.94 50.09 -64.39 -41.86 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 53 V H H 83.92 2.08 15.75 17.61 91.81 49.59 -64.27 -41.68 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 54 V H H 75.77 2.95 14.99 18.62 91.67 50.27 -63.95 -41.99 0.10 0.00 99.90 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 55 Y H H 119.08 3.03 15.13 18.75 91.82 49.83 -64.04 -41.78 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 56 L H H 90.87 2.37 15.50 17.97 91.78 49.81 -64.18 -41.94 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 57 I H H 95.39 2.15 15.78 17.81 91.75 49.29 -64.21 -42.28 0.07 0.00 99.93 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 58 Y H H 121.29 2.87 15.50 18.77 91.95 48.66 -65.16 -41.74 0.19 0.00 99.81 0.01 0.01 0.14 99.82 0.03 0.00 0.00 0.00 59 T H H 68.07 2.95 15.83 19.16 92.15 49.17 -65.01 -41.77 0.66 0.00 99.33 0.05 0.03 0.51 99.35 0.06 0.00 0.00 0.00 60 W H H 135.12 2.15 16.40 18.22 91.90 49.32 -64.42 -41.28 0.89 0.00 99.11 0.08 0.06 0.67 99.10 0.10 0.00 0.00 0.00 61 G H H 31.61 3.26 15.01 19.37 91.81 50.74 -63.27 -41.78 1.15 0.00 98.85 0.16 0.10 0.78 98.83 0.14 0.00 0.00 0.00 62 N H H 83.41 2.84 16.12 19.29 92.06 49.39 -65.24 -40.45 1.03 0.00 98.97 0.15 0.09 0.66 98.97 0.13 0.00 0.00 0.00 63 Q H H 98.85 2.37 16.40 18.67 92.20 50.03 -64.90 -40.96 0.77 0.00 99.23 0.10 0.05 0.48 99.22 0.13 0.00 0.00 0.00 64 E H H 100.08 2.56 15.88 18.63 92.00 50.30 -64.21 -41.87 0.70 0.00 99.29 0.09 0.05 0.44 99.26 0.17 0.00 0.00 0.00 65 F H H 103.35 2.90 14.68 18.35 92.13 49.65 -64.94 -40.77 1.26 0.00 98.74 0.16 0.08 0.82 98.60 0.32 0.00 0.00 0.00 66 E H H 98.57 2.53 14.46 17.53 91.98 50.64 -64.52 -40.79 2.32 0.01 97.67 0.29 0.18 1.60 97.37 0.55 0.00 0.00 0.00 67 Q H H 102.72 2.33 13.71 16.46 92.32 50.06 -66.60 -38.39 5.63 0.02 94.35 0.62 0.50 4.16 93.67 1.01 0.01 0.01 0.01 68 S H H 64.87 2.84 12.14 16.12 92.97 51.36 -69.89 -32.93 18.56 0.09 81.35 2.25 1.86 14.15 79.74 1.87 0.03 0.03 0.05 69 K H H 139.42 1.97 11.77 14.52 96.39 52.47 -79.23 -17.40 41.66 0.38 57.96 6.82 5.98 29.21 54.44 3.09 0.07 0.14 0.25 70 R C T 146.99 2.96 10.06 14.50 103.33 75.18 -80.67 -20.28 63.50 1.01 35.49 17.23 13.48 33.28 31.40 3.59 0.05 0.37 0.61 71 K C S 150.78 1.81 11.52 13.80 100.26 53.65 -78.45 -19.25 78.86 1.21 19.93 26.66 26.94 25.48 16.42 3.23 0.02 0.41 0.84 72 N C C 80.92 4.10 10.62 16.52 108.66 32.78 -117.35 86.23 97.75 0.33 1.92 86.01 9.94 1.82 1.43 0.41 0.00 0.12 0.27 73 P H G 73.03 5.46 9.34 17.12 94.09 -163.50 -61.93 -33.06 27.86 0.32 71.82 12.81 3.03 11.06 23.83 48.97 0.00 0.19 0.11 74 A H G 72.12 1.71 12.42 14.52 92.71 58.21 -65.12 -34.38 15.52 0.13 84.35 2.38 1.57 10.16 26.38 59.39 0.00 0.08 0.04 75 M H G 108.46 2.20 11.96 14.97 93.01 54.62 -68.10 -31.67 12.99 0.14 86.87 2.43 1.51 7.88 28.12 59.93 0.00 0.09 0.04 76 Y H G 107.70 5.30 8.86 15.91 96.86 51.04 -82.30 -16.29 26.42 0.54 73.04 8.40 4.46 12.56 29.99 44.05 0.02 0.28 0.24 77 E C T 124.35 2.51 9.98 13.92 95.02 74.16 -67.21 -29.24 52.27 0.67 47.07 7.39 6.08 36.31 25.15 24.14 0.09 0.32 0.52 78 N C T 122.17 1.39 9.87 11.85 97.60 49.93 -86.25 7.06 63.06 0.39 36.55 9.30 6.54 46.21 16.97 20.47 0.02 0.18 0.30 79 D C C 95.09 4.15 7.02 12.98 105.22 112.05 -81.47 85.24 82.45 0.66 16.89 69.21 2.46 12.49 7.63 7.47 0.00 0.32 0.43 80 K C C 156.47 1.75 11.29 14.22 108.78 122.39 -91.20 106.14 99.89 0.08 0.03 99.77 0.11 0.06 0.02 0.00 0.00 0.03 0.01