# 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 I C C 30.26 19.59 16.83 35.91 119.58 -162.32 -109.05 127.88 93.41 6.59 0.00 93.65 0.07 0.00 0.00 0.00 0.00 6.25 0.03 1 R E E 114.55 7.71 22.41 30.81 118.98 -158.39 -108.67 127.65 10.82 89.16 0.02 11.39 0.10 0.01 0.01 0.01 0.00 87.86 0.62 2 L E E 15.12 22.72 14.78 37.28 124.14 -169.78 -117.24 136.55 6.77 93.20 0.03 6.81 0.16 0.02 0.01 0.01 0.00 92.72 0.27 3 K E E 101.75 6.98 24.56 32.33 123.78 -161.16 -115.25 138.33 8.69 91.27 0.05 8.39 0.31 0.04 0.01 0.02 0.00 90.80 0.42 4 A E E 12.72 20.86 13.32 33.80 136.50 165.92 -143.68 158.28 31.31 68.57 0.11 30.29 1.00 0.14 0.03 0.07 0.00 67.07 1.40 5 F C S 117.56 6.73 19.81 27.40 95.48 -138.33 -79.86 -23.26 98.56 1.38 0.06 9.20 88.91 0.69 0.01 0.02 0.00 1.07 0.10 6 D C C 62.67 7.90 17.82 26.89 113.55 54.41 -117.43 107.74 98.71 1.11 0.18 69.39 29.10 0.42 0.11 0.06 0.00 0.45 0.46 7 H H H 94.97 12.21 14.04 26.83 93.35 -163.19 -63.41 -34.84 2.86 0.01 97.13 0.46 0.47 1.81 96.37 0.88 0.00 0.00 0.00 8 R H H 158.61 1.58 20.66 21.34 91.53 55.96 -63.88 -40.38 1.46 0.01 98.53 0.16 0.14 1.10 97.71 0.89 0.00 0.00 0.00 9 L H H 39.55 11.36 18.11 30.61 92.02 49.05 -65.32 -41.36 0.57 0.00 99.43 0.11 0.06 0.33 98.65 0.84 0.00 0.00 0.00 10 I H H 6.41 24.00 14.49 38.63 91.31 50.97 -63.19 -43.52 0.30 0.00 99.70 0.07 0.03 0.14 99.62 0.15 0.00 0.00 0.00 11 D H H 69.09 8.08 22.78 31.04 91.43 50.35 -63.59 -42.00 0.39 0.00 99.61 0.07 0.02 0.20 99.64 0.06 0.00 0.00 0.00 12 Q H H 94.64 3.02 25.61 27.75 91.69 49.33 -64.69 -41.78 0.33 0.00 99.67 0.03 0.02 0.21 99.70 0.04 0.00 0.00 0.00 13 S H H 7.56 19.49 20.08 39.68 91.98 50.09 -64.59 -42.65 0.43 0.00 99.57 0.05 0.02 0.27 99.62 0.05 0.00 0.00 0.00 14 T H H 13.31 21.35 20.29 40.97 91.53 51.52 -62.83 -42.32 0.28 0.00 99.72 0.03 0.01 0.17 99.76 0.03 0.00 0.00 0.00 15 Q H H 99.12 3.92 25.89 29.73 91.47 51.16 -63.99 -41.57 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 16 E H H 72.78 8.63 24.59 33.54 91.58 49.75 -64.72 -42.06 0.12 0.00 99.88 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 17 I H H 2.34 26.42 19.80 46.46 91.47 49.27 -63.69 -43.82 0.13 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 18 V H H 29.97 16.24 22.01 37.87 91.39 49.82 -63.10 -42.95 0.14 0.00 99.86 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 19 E H H 103.20 2.40 26.48 27.41 91.44 50.14 -63.67 -42.05 0.30 0.00 99.70 0.04 0.01 0.16 99.76 0.03 0.00 0.00 0.00 20 T H H 18.21 14.12 20.77 35.69 91.89 49.64 -64.45 -42.51 0.60 0.00 99.40 0.04 0.03 0.41 99.44 0.07 0.00 0.00 0.00 21 A H H 3.72 23.96 14.67 38.85 91.37 51.31 -63.43 -42.17 1.12 0.00 98.88 0.14 0.08 0.72 98.79 0.27 0.00 0.00 0.00 22 K H H 131.19 4.45 19.75 25.49 91.33 50.61 -63.31 -39.90 2.21 0.01 97.77 0.27 0.12 1.68 96.88 1.03 0.00 0.01 0.00 23 R H H 157.41 2.57 19.72 22.51 91.09 53.59 -66.10 -29.97 8.66 0.02 91.31 0.27 0.32 8.18 90.31 0.88 0.02 0.01 0.01 24 T C T 41.30 14.24 14.38 29.05 94.58 47.30 -92.15 -0.66 60.76 0.05 39.19 0.50 1.47 58.10 38.65 1.21 0.01 0.02 0.05 25 G C T 51.60 2.35 21.96 23.76 97.35 -104.84 87.16 11.24 99.82 0.02 0.16 3.54 2.01 94.34 0.05 0.03 0.00 0.01 0.00 26 A C C 11.88 22.35 9.82 31.39 120.25 141.82 -85.29 147.70 97.88 2.09 0.02 96.23 1.64 0.09 0.00 0.01 0.00 1.92 0.09 27 Q E E 114.14 3.17 24.67 27.70 112.53 -129.83 -91.38 125.00 24.81 75.12 0.07 23.98 0.85 0.10 0.02 0.04 0.00 74.15 0.86 28 V E E 31.01 22.76 11.32 32.94 119.47 -159.46 -107.58 129.17 8.52 91.45 0.03 8.59 0.20 0.02 0.01 0.01 0.00 88.06 3.11 29 R E E 138.15 4.34 20.57 25.65 114.99 -171.45 -110.99 122.28 25.38 74.58 0.03 21.15 3.74 0.18 0.01 0.02 0.00 74.08 0.83 30 G C E 32.46 5.33 19.91 25.86 132.29 -32.23 113.65 -175.95 54.90 45.09 0.02 21.02 32.55 0.44 0.00 0.02 0.00 45.72 0.26 31 P C C 67.05 12.14 16.23 28.47 115.14 -54.79 -70.23 146.19 63.42 36.56 0.02 55.86 5.51 0.15 0.00 0.02 0.00 37.92 0.53 32 I E E 35.93 16.10 15.23 31.96 118.50 -154.95 -114.17 124.56 20.71 79.28 0.01 19.07 1.01 0.03 0.01 0.01 0.00 72.34 7.53 33 P E E 79.46 5.61 22.35 28.51 114.67 -117.72 -68.28 143.27 33.14 66.85 0.01 32.33 0.93 0.03 0.00 0.01 0.00 63.78 2.91 34 L C C 37.37 20.66 12.18 32.00 116.27 -119.57 -83.41 136.21 89.86 10.13 0.01 87.51 2.70 0.05 0.00 0.01 0.00 9.21 0.52 35 P C C 48.96 9.55 17.06 27.99 114.23 -105.25 -66.16 148.92 93.19 6.72 0.09 89.80 3.13 0.31 0.01 0.07 0.00 6.14 0.52 36 T C C 89.07 6.91 15.30 23.64 101.35 -150.57 -91.24 -12.60 76.33 23.39 0.27 48.39 26.85 1.15 0.04 0.28 0.00 22.20 1.08 37 R E E 120.73 5.17 16.69 23.21 127.03 68.54 -117.65 143.96 25.70 74.08 0.22 19.36 6.26 0.55 0.03 0.18 0.00 73.02 0.60 38 K E E 109.24 10.55 13.25 24.83 124.38 -159.38 -120.28 137.09 6.93 92.96 0.10 6.28 0.51 0.08 0.02 0.05 0.00 92.89 0.16 39 E E E 75.67 9.04 15.50 26.03 127.07 -170.90 -125.64 141.90 1.66 98.29 0.04 1.49 0.11 0.02 0.01 0.02 0.00 98.30 0.05 40 R E E 129.71 7.26 15.74 24.73 120.90 -153.57 -112.19 132.83 1.25 98.70 0.06 1.12 0.07 0.02 0.01 0.03 0.00 98.72 0.03 41 F E E 49.10 13.20 14.01 28.45 127.78 -173.56 -125.77 145.33 2.32 97.58 0.10 2.18 0.11 0.03 0.02 0.05 0.00 97.55 0.06 42 T E E 63.20 7.94 17.84 27.02 119.37 -141.10 -105.60 133.25 4.80 95.12 0.09 4.63 0.19 0.04 0.03 0.05 0.00 94.83 0.24 43 V E E 32.86 13.98 14.27 29.45 120.29 -162.76 -113.76 129.67 15.99 83.84 0.17 14.24 1.41 0.20 0.06 0.10 0.00 83.17 0.83 44 L E E 72.36 7.79 15.84 25.29 111.56 -133.95 -85.55 124.64 44.61 55.16 0.24 37.34 6.04 0.68 0.07 0.17 0.00 54.40 1.29 45 I C C 77.39 9.13 13.61 23.98 103.30 -173.78 -97.58 -12.97 72.12 27.61 0.27 53.86 16.76 1.37 0.06 0.24 0.00 25.90 1.80 46 S C C 43.65 6.01 13.06 20.91 125.69 31.34 -129.30 145.78 85.47 14.07 0.46 61.44 21.82 2.52 0.13 0.41 0.00 10.07 3.60 47 P C T 100.07 3.91 11.41 17.02 94.25 -114.53 -65.27 -21.06 95.53 0.47 4.01 3.86 17.63 74.12 0.47 3.43 0.00 0.29 0.20 48 H C T 149.90 1.55 11.84 13.83 97.76 55.31 -86.47 -3.98 94.88 0.99 4.13 5.59 16.68 72.67 0.63 3.43 0.00 0.68 0.33 49 V C C 75.72 7.47 8.56 17.33 112.74 75.35 -95.32 119.13 76.04 17.44 6.52 35.71 30.16 10.86 1.84 4.44 0.03 9.30 7.64 50 N C C 88.08 4.70 11.32 17.54 113.35 -124.84 -96.39 122.33 86.51 8.45 5.04 72.20 8.59 5.28 2.16 3.04 0.00 6.68 2.04 51 K C T 149.34 3.23 11.35 16.40 95.86 -149.58 -68.39 -22.64 64.63 5.43 29.94 13.99 13.16 38.73 5.48 23.48 0.08 3.73 1.34 52 D C T 112.25 1.83 14.20 16.32 96.16 61.95 -80.41 -9.64 63.72 5.99 30.29 15.19 11.52 38.34 5.58 23.71 0.06 4.39 1.20 53 A C C 37.02 10.87 9.99 22.04 102.74 82.18 -80.80 8.75 57.81 9.39 32.80 35.85 11.41 11.94 5.65 26.41 0.02 7.41 1.31 54 R C C 116.59 8.91 13.41 23.19 112.04 95.70 -86.80 115.53 62.04 21.53 16.43 42.34 11.62 8.75 4.55 11.79 0.05 18.77 2.13 55 D C C 81.58 7.56 15.02 23.52 112.83 -153.09 -99.09 121.25 56.16 35.97 7.87 42.11 9.43 5.00 1.56 5.79 0.00 35.05 1.05 56 Q E E 93.64 7.82 15.66 24.63 119.86 -155.36 -107.74 136.72 30.82 67.92 1.27 24.83 4.53 1.29 0.34 0.78 0.00 67.64 0.60 57 Y E E 73.02 14.67 12.29 27.11 129.50 -170.18 -127.17 149.23 6.49 93.44 0.07 5.91 0.34 0.05 0.02 0.03 0.00 93.51 0.14 58 E E E 94.44 6.44 18.49 26.09 123.26 -152.62 -117.57 137.77 0.81 99.18 0.01 0.71 0.04 0.01 0.00 0.00 0.00 99.21 0.02 59 I E E 57.78 15.17 13.97 29.27 120.90 -156.37 -109.02 131.99 0.73 99.27 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.30 0.01 60 R E E 92.81 9.11 18.54 28.64 122.47 -168.17 -118.21 135.41 1.23 98.76 0.01 1.11 0.04 0.01 0.00 0.00 0.00 98.82 0.02 61 T E E 54.03 12.32 17.20 30.08 121.36 -157.70 -110.85 133.42 2.93 97.06 0.01 2.52 0.21 0.02 0.00 0.00 0.00 97.20 0.04 62 H E E 43.46 14.21 16.89 31.93 126.58 -173.36 -123.75 142.72 4.31 95.67 0.02 3.79 0.38 0.04 0.00 0.01 0.00 95.69 0.09 63 K E E 95.31 10.15 20.60 31.04 122.07 -150.87 -108.82 136.76 6.79 93.20 0.01 6.22 0.31 0.02 0.00 0.01 0.00 93.36 0.08 64 R E E 39.52 18.59 17.41 35.59 124.83 -159.67 -119.17 139.22 3.82 96.18 0.00 3.55 0.17 0.01 0.00 0.00 0.00 96.22 0.05 65 V E E 37.37 11.30 23.34 35.61 119.04 -153.73 -111.81 128.95 0.81 99.19 0.00 0.73 0.02 0.00 0.00 0.00 0.00 99.22 0.02 66 L E E 8.25 23.39 17.91 41.63 120.64 -165.24 -112.31 129.60 0.27 99.73 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 67 D E E 49.67 9.47 26.05 36.08 116.33 -160.18 -106.41 123.57 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.00 68 I E E 10.76 23.00 16.50 39.95 115.04 -161.15 -103.76 122.14 4.40 95.59 0.01 4.29 0.11 0.01 0.00 0.01 0.00 95.38 0.21 69 V E E 51.09 9.31 21.12 31.26 120.38 -167.21 -106.64 143.73 36.23 63.72 0.04 21.53 14.50 0.52 0.01 0.04 0.00 62.85 0.55 70 Q C S 119.14 4.09 22.89 27.29 95.14 1.73 56.49 54.82 88.59 11.40 0.02 15.89 71.32 0.72 0.00 0.02 0.00 11.86 0.20 71 P C C 18.91 22.61 9.90 31.59 117.39 -155.71 -70.14 145.35 95.31 4.63 0.06 92.36 3.18 0.20 0.02 0.04 0.00 3.68 0.53 72 T C C 59.40 4.87 20.04 25.18 123.54 -131.47 -85.35 167.34 98.74 1.00 0.27 97.49 1.33 0.14 0.17 0.04 0.00 0.34 0.50 73 D H H 111.53 3.13 15.45 20.19 91.29 -97.32 -59.93 -36.93 3.17 0.00 96.82 0.35 0.58 2.05 96.56 0.45 0.00 0.00 0.00 74 K H H 133.82 2.00 18.90 20.50 91.80 52.90 -65.08 -39.95 1.65 0.00 98.34 0.13 0.13 1.26 97.99 0.48 0.00 0.00 0.00 75 T H H 17.37 17.80 15.30 33.21 92.58 48.19 -66.30 -42.27 0.58 0.00 99.42 0.08 0.04 0.38 99.09 0.40 0.00 0.00 0.00 76 V H H 19.26 17.92 16.16 34.25 91.32 50.73 -62.63 -43.05 0.16 0.00 99.84 0.02 0.01 0.09 99.70 0.18 0.00 0.00 0.00 77 D H H 81.26 2.72 22.73 24.50 91.46 50.32 -63.65 -40.31 0.34 0.00 99.65 0.03 0.01 0.24 99.40 0.32 0.00 0.00 0.00 78 A H H 27.92 9.19 18.80 29.60 91.73 51.57 -64.52 -41.32 0.81 0.00 99.19 0.05 0.03 0.65 98.49 0.78 0.00 0.00 0.00 79 L H H 11.07 23.37 14.84 37.77 92.22 52.13 -65.88 -38.44 2.40 0.01 97.59 0.15 0.11 1.99 96.07 1.67 0.00 0.00 0.00 80 M H H 85.10 11.47 17.75 29.39 91.54 57.07 -69.63 -22.82 26.07 0.10 73.82 1.17 1.08 23.83 71.35 2.42 0.04 0.05 0.06 81 K C T 151.01 1.66 20.31 21.11 95.10 57.33 -85.45 -10.13 62.23 0.32 37.45 3.68 2.76 53.45 37.03 2.76 0.02 0.15 0.16 82 L C C 42.65 17.78 10.66 27.83 117.41 100.04 -82.55 140.13 88.96 3.67 7.37 48.59 33.69 6.33 6.81 1.36 0.02 1.84 1.36 83 D C C 110.00 2.66 21.25 24.16 109.01 -132.40 -89.74 111.50 84.37 11.33 4.29 76.15 3.66 4.14 3.12 1.25 0.00 8.68 3.00 84 L C C 35.51 21.50 11.50 31.57 120.76 -176.25 -106.47 136.79 75.13 21.02 3.85 66.52 5.52 1.88 2.85 1.33 0.00 12.15 9.76 85 A C C 43.16 8.89 18.52 28.29 117.30 -111.62 -72.77 153.82 90.21 6.50 3.29 84.44 3.47 2.57 1.62 1.39 0.00 4.44 2.07 86 A C T 71.49 6.52 17.00 24.69 112.11 -90.55 -64.00 140.62 94.52 3.00 2.48 2.96 8.28 83.76 0.42 1.76 0.00 2.03 0.79 87 G C T 42.99 4.94 19.09 25.10 96.23 23.93 86.76 -4.68 96.38 2.50 1.12 4.33 7.40 84.74 0.11 0.95 0.00 2.23 0.24 88 V C C 22.57 20.13 11.55 31.54 118.20 128.38 -90.13 134.60 66.51 33.33 0.17 61.12 3.71 0.32 0.04 0.13 0.00 33.90 0.78 89 E E E 108.75 4.95 23.74 29.17 116.65 -149.49 -102.81 127.51 15.79 84.13 0.08 15.24 0.53 0.08 0.03 0.04 0.00 83.62 0.46 90 V E E 21.15 23.51 12.65 35.49 125.01 -170.71 -121.93 136.35 7.87 92.11 0.02 7.73 0.17 0.02 0.01 0.00 0.00 91.96 0.11 91 Q E E 92.94 5.28 24.94 30.61 120.54 -166.26 -115.79 130.72 4.00 95.99 0.01 3.89 0.09 0.01 0.00 0.00 0.00 95.95 0.05 92 I E E 29.20 22.49 13.44 35.25 122.76 -165.50 -118.15 131.35 4.66 95.33 0.01 4.71 0.08 0.01 0.00 0.00 0.00 95.11 0.09 93 S E E 54.34 5.68 21.75 28.10 126.16 -173.35 -123.69 141.57 6.62 93.36 0.02 6.47 0.17 0.02 0.01 0.01 0.00 93.05 0.27 94 L E E 68.73 15.21 12.27 27.06 118.37 -154.16 -107.15 130.23 28.50 71.43 0.07 27.97 0.43 0.14 0.02 0.04 0.00 70.64 0.75 95 G C C 43.57 4.61 18.42 23.64 119.22 39.72 93.47 163.77 99.02 0.98 0.00 98.94 0.11 0.02 0.00 0.00 0.00 0.92 0.01