# 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 98.23 8.97 12.41 22.32 117.40 -155.27 -101.19 131.19 99.37 0.60 0.02 99.38 0.15 0.06 0.01 0.00 0.00 0.33 0.07 1 Y C C 157.22 4.03 10.72 16.72 116.94 -158.98 -101.47 133.90 74.58 24.00 1.42 65.35 3.42 4.41 0.60 0.81 0.00 18.57 6.85 2 G C C 50.96 3.44 10.51 15.66 117.76 38.15 118.33 172.62 77.71 20.93 1.36 46.18 22.67 9.77 0.33 1.19 0.00 17.09 2.77 3 Q C C 130.18 3.16 10.54 15.54 116.47 -101.51 -95.96 136.21 79.26 18.59 2.15 62.19 11.53 4.89 0.67 1.61 0.00 15.15 3.95 4 S C C 71.92 5.28 9.24 16.33 118.36 -151.38 -100.79 140.72 86.84 10.95 2.21 71.19 10.43 4.90 0.80 1.42 0.00 8.39 2.87 5 T C C 97.01 3.56 10.25 15.63 112.55 -147.15 -96.50 122.76 89.35 6.90 3.75 65.78 14.68 8.88 1.50 2.23 0.00 4.72 2.22 6 S C C 75.32 3.90 10.41 15.97 113.39 -158.31 -95.16 133.37 85.31 4.83 9.86 48.62 21.24 15.92 4.29 5.31 0.00 2.69 1.92 7 D C C 109.50 3.12 11.00 15.59 105.76 -127.62 -87.64 49.83 75.47 3.30 21.23 37.16 19.36 19.85 9.05 11.29 0.02 1.62 1.65 8 E C C 124.66 4.25 10.99 16.84 107.36 122.56 -88.24 68.72 65.98 4.03 29.99 30.63 16.28 20.20 13.65 15.21 0.06 2.11 1.85 9 A C C 67.19 5.27 11.63 18.36 110.92 127.34 -90.22 130.18 62.70 7.41 29.88 33.91 14.53 15.19 15.22 13.98 0.14 4.32 2.71 10 I C C 96.46 7.52 10.98 19.72 112.45 -138.29 -92.12 127.92 63.75 11.19 25.06 37.42 16.14 10.70 16.12 8.76 0.21 6.05 4.59 11 T C C 70.55 6.89 12.18 20.48 116.07 -162.14 -100.43 139.33 72.33 8.30 19.37 47.52 16.14 8.45 13.33 6.47 0.04 4.69 3.34 12 T C C 92.20 5.00 13.24 19.62 101.30 -139.54 -79.89 -9.40 69.88 4.71 25.42 33.03 15.79 22.45 11.53 12.66 0.06 2.56 1.93 13 Q C T 118.91 4.27 13.95 19.57 105.00 66.15 -87.15 33.31 73.77 3.13 23.10 20.13 17.16 37.80 8.43 13.18 0.06 1.66 1.59 14 G C C 35.09 8.17 15.18 24.14 114.00 40.94 90.60 -29.79 81.12 4.42 14.45 30.55 22.43 29.72 3.37 9.91 0.01 2.47 1.53 15 K C C 103.22 9.22 16.81 26.55 112.16 -54.70 -94.08 119.96 82.09 12.34 5.57 51.73 20.58 10.13 1.22 4.30 0.00 10.32 1.71 16 R C C 72.33 14.00 17.47 31.54 120.17 -148.50 -107.74 136.28 58.37 40.87 0.75 46.94 9.46 1.50 0.18 0.61 0.00 39.88 1.44 17 I E E 46.34 13.97 20.63 34.91 123.34 -162.47 -114.13 135.94 12.31 87.68 0.02 11.27 0.73 0.03 0.00 0.01 0.00 87.51 0.44 18 Y E E 21.83 20.29 18.66 39.03 126.12 -166.75 -119.44 140.18 1.14 98.86 0.00 1.03 0.04 0.00 0.00 0.00 0.00 98.90 0.03 19 K E E 66.29 11.38 24.68 36.36 118.09 -151.38 -107.72 126.89 0.30 99.70 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 20 I E E 9.54 23.46 18.15 41.99 121.48 -166.94 -114.12 130.34 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 21 T E E 39.30 9.63 25.91 36.41 118.94 -160.75 -109.97 129.58 0.28 99.71 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.01 22 V E E 10.93 22.93 16.30 39.30 120.25 -163.39 -111.38 129.19 3.91 96.08 0.01 3.78 0.14 0.01 0.00 0.00 0.00 95.88 0.18 23 S E E 43.80 8.95 22.05 31.34 124.14 -172.95 -111.48 144.90 39.58 60.05 0.37 31.55 6.99 0.72 0.13 0.21 0.00 59.80 0.60 24 E C C 89.45 10.93 18.14 28.99 121.22 -102.09 -109.27 135.45 68.49 26.07 5.45 44.73 19.68 4.20 3.06 2.28 0.00 24.57 1.47 25 A C C 53.92 10.52 17.03 27.74 112.80 -140.78 -87.52 130.51 70.11 13.19 16.70 48.32 12.49 9.79 9.29 7.28 0.03 10.81 1.99 26 G C C 32.58 10.10 16.47 26.82 117.18 53.33 -112.04 148.69 59.03 10.71 30.26 35.67 11.87 12.19 16.89 13.14 0.08 7.76 2.39 27 A C C 51.69 10.02 16.05 26.51 112.14 -108.39 -93.41 122.48 49.32 13.03 37.66 30.95 9.44 9.69 21.66 15.63 0.11 9.87 2.65 28 Y C C 94.07 11.63 14.62 26.65 112.90 70.18 -97.58 118.41 44.04 16.82 39.15 28.76 7.95 7.98 24.83 14.10 0.18 12.98 3.23 29 A C C 47.08 9.34 14.75 25.18 114.42 -139.19 -91.13 134.41 49.80 16.77 33.43 34.55 7.71 7.74 23.50 9.78 0.12 13.19 3.40 30 T C C 70.49 7.50 13.45 22.17 111.19 -154.81 -95.37 119.19 58.07 12.45 29.48 35.85 11.55 11.57 22.15 6.79 0.14 8.42 3.54 31 N C C 83.19 6.49 11.69 19.55 109.05 63.56 -91.40 106.12 75.53 5.25 19.22 41.74 15.91 18.38 13.30 5.66 0.03 3.11 1.87 32 K C C 139.87 3.48 11.40 16.43 99.75 -146.43 -75.91 -10.76 77.42 3.97 18.60 32.50 20.34 25.60 10.97 6.85 0.03 2.12 1.58 33 H C C 129.34 3.10 10.59 15.16 102.67 75.48 -81.62 -14.56 77.40 6.18 16.42 36.11 20.05 22.42 8.52 7.07 0.05 3.22 2.58 34 R C C 144.30 4.31 9.92 15.80 104.55 62.33 -89.34 15.29 78.94 6.16 14.90 37.69 20.86 21.33 6.93 7.23 0.03 3.13 2.80 35 T C T 92.24 3.69 10.75 15.84 105.23 64.27 -90.02 34.39 85.43 2.68 11.90 30.95 19.83 35.66 3.91 7.05 0.01 1.41 1.18 36 G C C 49.87 3.87 12.06 17.35 104.71 -66.61 76.24 -1.32 87.60 3.28 9.13 34.16 22.24 31.86 2.30 6.41 0.00 1.74 1.28 37 Y C C 140.77 5.34 11.35 18.22 109.09 80.72 -93.70 88.97 85.12 7.39 7.49 52.20 18.25 14.61 2.28 5.25 0.00 4.27 3.13 38 R C C 139.86 5.33 13.97 20.85 111.40 122.23 -93.99 118.21 88.64 7.16 4.20 65.53 15.42 7.49 1.75 2.57 0.00 4.59 2.65 39 A C C 34.15 13.53 11.13 25.20 115.97 -138.18 -87.84 138.47 91.04 4.83 4.14 72.32 15.73 3.01 2.42 1.80 0.00 3.48 1.25 40 P C C 75.74 5.90 17.72 24.45 109.19 -123.04 -70.58 139.84 84.70 7.17 8.13 67.27 10.84 6.53 3.46 4.61 0.00 5.56 1.73 41 I C C 73.41 12.80 12.86 25.83 112.86 -128.65 -87.51 127.66 73.33 14.66 12.01 57.12 9.05 6.67 5.61 6.53 0.01 10.78 4.22 42 R C C 119.37 8.65 14.91 24.38 114.10 -150.83 -94.62 131.75 73.90 15.42 10.67 56.12 10.07 7.38 4.69 6.06 0.01 12.42 3.26 43 Q C C 112.60 5.84 16.24 23.23 114.98 -131.72 -99.57 125.48 72.62 17.75 9.63 48.67 14.97 9.06 3.89 5.75 0.02 13.83 3.81 44 S C C 43.57 12.08 12.54 25.08 122.79 -147.39 -107.28 150.77 79.82 16.74 3.44 44.73 22.62 13.12 0.85 2.54 0.00 14.24 1.89 45 N C C 106.80 5.25 16.74 23.19 100.59 -132.64 -94.16 16.21 68.87 29.65 1.47 31.15 26.19 11.92 0.19 1.28 0.00 28.39 0.88 46 Y E E 86.19 10.59 15.51 27.24 123.00 110.51 -106.82 140.93 28.37 71.34 0.29 21.83 6.15 0.75 0.06 0.23 0.00 70.41 0.58 47 T E E 67.26 11.63 17.02 29.15 125.60 -156.91 -118.52 140.29 4.85 95.13 0.02 4.44 0.26 0.02 0.00 0.01 0.00 95.16 0.11 48 L E E 31.03 16.55 17.55 34.49 125.62 -170.70 -124.79 136.46 0.71 99.29 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.31 0.01 49 T E E 65.11 9.79 22.89 32.98 117.17 -145.52 -103.08 126.50 0.63 99.36 0.00 0.56 0.03 0.00 0.00 0.00 0.00 99.39 0.01 50 V E E 8.85 21.35 15.48 37.23 124.17 -177.66 -125.81 134.89 4.24 95.76 0.00 3.81 0.15 0.00 0.00 0.00 0.00 95.97 0.06 51 P E E 39.01 6.55 22.20 29.99 113.43 -109.92 -66.25 142.58 21.83 78.15 0.02 21.62 0.44 0.02 0.00 0.02 0.00 77.52 0.38 52 Y H G 66.58 17.78 13.23 30.72 91.36 -121.02 -58.99 -36.23 10.14 0.15 89.71 1.13 1.20 7.31 4.90 85.32 0.00 0.13 0.01 53 D H G 113.51 1.88 19.68 21.35 90.91 62.62 -69.23 -19.78 8.76 0.04 91.20 0.45 0.65 7.34 4.56 86.96 0.00 0.03 0.00 54 R H G 109.07 7.78 17.07 25.88 97.08 50.08 -97.74 -1.76 9.87 0.10 90.04 1.57 1.26 6.46 4.06 86.57 0.00 0.06 0.02 55 F C C 19.54 23.03 11.26 33.18 96.07 86.51 -74.19 -22.95 61.41 3.76 34.84 43.79 14.35 5.01 22.78 9.82 0.01 1.05 3.19 56 L H H 86.88 6.77 18.01 25.73 95.20 76.70 -64.06 -42.83 25.94 0.15 73.90 19.97 3.64 1.95 73.73 0.60 0.00 0.04 0.07 57 P H H 85.79 2.10 20.99 21.68 92.54 47.98 -65.09 -39.28 2.65 0.02 97.33 0.87 0.42 1.20 97.11 0.38 0.00 0.01 0.00 58 E H H 44.18 14.51 17.91 32.48 92.40 49.14 -65.89 -40.65 0.58 0.01 99.42 0.13 0.08 0.32 99.23 0.22 0.00 0.00 0.00 59 M H H 19.61 20.87 15.61 36.04 91.61 52.17 -63.34 -42.15 0.22 0.00 99.78 0.05 0.03 0.11 99.70 0.11 0.00 0.00 0.00 60 I H H 89.50 3.46 21.82 25.04 91.51 50.78 -63.48 -41.43 0.19 0.00 99.81 0.03 0.02 0.12 99.78 0.05 0.00 0.00 0.00 61 R H H 111.54 4.75 21.11 26.16 91.74 50.49 -64.32 -41.54 0.30 0.00 99.69 0.04 0.02 0.21 99.66 0.07 0.00 0.00 0.00 62 L H H 7.76 22.44 14.10 36.71 91.85 50.05 -64.36 -42.78 0.58 0.00 99.42 0.06 0.04 0.43 99.34 0.13 0.00 0.00 0.00 63 H H H 92.74 11.58 17.47 29.06 91.65 51.35 -63.32 -40.03 1.88 0.01 98.12 0.13 0.09 1.56 97.82 0.40 0.00 0.00 0.00 64 Q H H 139.75 1.32 19.42 19.80 90.52 54.97 -66.14 -25.38 15.20 0.02 84.78 0.31 0.41 14.97 83.57 0.70 0.02 0.01 0.01 65 S C T 45.72 10.53 15.63 27.25 92.84 56.04 -85.42 -2.33 86.03 0.05 13.93 0.39 1.46 83.19 14.33 0.58 0.00 0.01 0.04 66 G C T 39.44 4.60 21.91 27.13 99.61 -99.71 93.71 8.41 99.69 0.04 0.27 2.42 2.11 95.29 0.11 0.05 0.00 0.02 0.01 67 A C C 10.84 22.14 11.71 33.70 120.47 142.68 -79.09 152.57 97.02 2.96 0.02 94.05 2.89 0.13 0.00 0.01 0.00 2.79 0.13 68 K E E 106.57 5.04 25.93 31.56 119.63 -138.24 -112.39 132.56 24.66 75.30 0.04 23.24 1.06 0.09 0.01 0.03 0.00 75.03 0.54 69 I E E 26.50 22.56 14.17 36.61 110.62 -128.93 -81.35 122.94 1.11 98.89 0.00 1.17 0.01 0.00 0.00 0.00 0.00 98.72 0.09 70 V E E 66.16 7.13 21.60 29.64 101.29 175.46 -98.51 -31.97 2.02 97.98 0.00 1.49 0.24 0.02 0.00 0.00 0.00 98.24 0.01 71 N E E 66.39 5.35 24.38 30.69 142.14 -3.19 -159.75 154.54 1.23 98.77 0.00 0.77 0.19 0.02 0.00 0.00 0.00 99.02 0.00 72 V E E 31.15 23.06 12.22 34.27 124.88 -160.94 -131.28 130.68 0.78 99.22 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.27 0.01 73 T E E 69.18 4.53 23.20 28.13 127.21 -174.79 -130.74 141.25 1.07 98.93 0.00 0.95 0.03 0.00 0.00 0.00 0.00 99.00 0.02 74 S E E 57.02 11.43 14.22 26.11 114.20 -112.17 -70.64 139.76 5.79 94.20 0.01 5.33 0.21 0.01 0.00 0.00 0.00 94.28 0.15 75 V C C 75.62 9.50 11.60 22.10 105.10 -144.34 -89.01 33.26 77.96 21.68 0.36 64.08 10.36 1.74 0.06 0.34 0.00 22.62 0.80 76 I C C 123.06 2.95 11.20 15.79 117.05 31.02 -107.39 132.85 87.12 12.31 0.57 78.99 4.29 3.22 0.13 0.45 0.00 11.32 1.60 77 S C C 81.63 3.50 11.24 16.67 115.10 -144.67 -98.98 138.59 99.80 0.18 0.01 99.70 0.13 0.04 0.00 0.00 0.00 0.11 0.01