# 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 100.41 8.32 13.35 22.66 114.72 -158.28 -94.04 131.95 99.88 0.11 0.01 99.85 0.06 0.02 0.00 0.00 0.00 0.06 0.01 1 Q C C 116.20 4.68 13.42 19.78 116.25 -155.66 -97.41 133.85 93.34 4.98 1.67 84.98 1.85 6.71 0.41 0.93 0.00 4.24 0.88 2 N C C 100.58 6.28 14.27 21.65 104.18 -118.38 -68.15 77.81 87.49 10.88 1.63 52.44 20.68 13.82 0.16 1.75 0.00 10.44 0.72 3 Q C C 59.67 12.51 14.06 27.30 120.21 147.24 -107.82 141.80 63.45 35.52 1.03 47.52 12.08 2.65 0.12 0.99 0.00 35.96 0.68 4 R E E 101.47 9.78 20.29 30.48 124.12 -155.60 -112.97 138.92 20.53 79.35 0.12 18.42 1.73 0.17 0.03 0.08 0.00 79.11 0.47 5 I E E 10.71 22.65 16.10 39.04 123.24 -163.23 -118.87 134.29 3.05 96.94 0.01 2.94 0.10 0.01 0.00 0.00 0.00 96.88 0.07 6 R E E 84.92 9.49 24.95 34.80 117.98 -157.48 -110.19 126.94 0.90 99.09 0.00 0.85 0.03 0.00 0.00 0.00 0.00 99.11 0.01 7 I E E 6.67 24.46 17.33 42.36 120.75 -167.15 -115.65 128.94 0.42 99.58 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.57 0.00 8 R E E 85.69 9.24 26.51 36.20 117.06 -161.61 -108.40 124.36 0.41 99.59 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.00 9 L E E 4.51 25.65 17.02 43.40 124.77 -171.42 -118.26 137.97 1.08 98.92 0.00 1.09 0.02 0.00 0.00 0.00 0.00 98.88 0.02 10 K E E 84.42 8.57 26.85 35.96 123.84 -165.04 -119.10 136.02 3.78 96.22 0.01 3.57 0.14 0.01 0.00 0.00 0.00 96.15 0.13 11 A E E 8.11 22.22 14.13 36.31 136.55 170.33 -141.39 158.84 28.96 70.99 0.05 28.08 0.83 0.08 0.01 0.03 0.00 69.95 1.00 12 F C S 114.48 6.55 21.06 28.40 94.68 -134.25 -78.25 -24.64 98.88 1.09 0.03 6.58 92.03 0.51 0.00 0.01 0.00 0.80 0.07 13 D C C 61.50 7.80 18.64 27.57 114.85 58.12 -116.13 110.14 98.92 0.98 0.10 70.50 28.25 0.36 0.05 0.04 0.00 0.39 0.41 14 H H H 95.11 12.12 14.42 27.18 93.09 -162.95 -62.73 -34.73 2.24 0.00 97.75 0.30 0.32 1.46 97.20 0.72 0.00 0.00 0.00 15 R H H 158.09 1.57 21.19 21.75 91.78 55.84 -64.12 -40.28 1.14 0.00 98.85 0.10 0.09 0.88 98.19 0.74 0.00 0.00 0.00 16 L H H 36.70 12.23 18.24 31.44 92.03 48.52 -65.54 -41.26 0.44 0.00 99.56 0.07 0.03 0.27 98.95 0.68 0.00 0.00 0.00 17 I H H 6.60 24.23 14.65 39.01 91.20 51.38 -62.80 -43.44 0.17 0.00 99.82 0.03 0.01 0.08 99.79 0.08 0.00 0.00 0.00 18 D H H 74.19 7.27 23.29 30.80 91.51 50.51 -63.72 -41.82 0.18 0.00 99.82 0.03 0.01 0.10 99.85 0.03 0.00 0.00 0.00 19 Q H H 96.43 3.17 25.76 28.25 91.72 49.22 -64.70 -41.68 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 20 A H H 6.08 20.49 20.00 40.61 91.59 49.61 -63.75 -42.97 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 21 T H H 14.08 21.09 20.84 41.20 91.45 51.02 -63.05 -42.34 0.16 0.00 99.84 0.01 0.00 0.10 99.87 0.01 0.00 0.00 0.00 22 A H H 54.93 4.25 25.87 29.91 91.59 51.24 -63.73 -42.07 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 23 E H H 71.68 9.02 24.75 34.04 91.63 49.42 -65.01 -42.14 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 24 I H H 2.32 26.54 19.87 46.66 91.29 49.13 -63.72 -43.73 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 25 V H H 31.91 16.04 22.13 37.76 91.37 49.87 -63.01 -42.94 0.16 0.00 99.83 0.02 0.01 0.09 99.87 0.01 0.00 0.00 0.00 26 E H H 103.89 2.41 26.46 27.41 91.53 50.06 -63.70 -42.03 0.35 0.00 99.65 0.05 0.01 0.18 99.72 0.03 0.00 0.00 0.00 27 T H H 18.40 14.08 20.71 35.59 91.95 49.62 -64.47 -42.40 0.64 0.00 99.35 0.05 0.03 0.43 99.40 0.08 0.00 0.00 0.00 28 A H H 3.99 23.74 14.62 38.56 91.35 51.25 -63.48 -42.18 1.16 0.00 98.83 0.15 0.08 0.76 98.74 0.27 0.00 0.00 0.00 29 K H H 130.59 4.54 19.58 25.40 91.38 50.66 -63.21 -40.04 2.33 0.01 97.66 0.29 0.14 1.75 96.64 1.17 0.00 0.01 0.00 30 R H H 157.88 2.58 19.46 22.31 91.06 53.71 -66.14 -29.77 9.45 0.02 90.53 0.30 0.35 8.91 89.40 1.00 0.02 0.01 0.01 31 T C T 43.33 13.87 14.27 28.62 94.53 47.94 -91.91 -0.10 64.62 0.05 35.33 0.50 1.45 61.97 34.72 1.28 0.01 0.02 0.05 32 G C T 52.68 2.17 21.67 23.15 97.39 -104.01 87.94 11.13 99.81 0.02 0.16 3.29 2.00 94.61 0.06 0.03 0.00 0.01 0.00 33 A C C 12.67 22.11 9.70 30.95 120.71 141.43 -85.36 148.44 97.99 1.99 0.02 96.19 1.81 0.10 0.00 0.01 0.00 1.80 0.09 34 Q E E 114.90 3.10 24.51 27.39 111.38 -128.97 -90.35 123.20 27.44 72.48 0.08 26.37 0.96 0.11 0.02 0.05 0.00 71.66 0.83 35 V E E 31.93 22.67 11.41 32.92 119.69 -161.10 -108.37 129.23 8.68 91.29 0.03 8.69 0.21 0.02 0.02 0.01 0.00 87.95 3.09 36 R E E 133.47 4.77 20.62 26.19 117.38 -171.65 -114.79 129.44 24.26 75.70 0.03 20.15 3.73 0.19 0.01 0.03 0.00 75.04 0.85 37 G C E 31.77 5.52 20.05 26.23 131.85 -35.64 109.85 -174.82 53.12 46.87 0.02 22.55 29.43 0.43 0.00 0.02 0.00 47.31 0.27 38 P C C 66.02 12.83 16.03 28.80 115.14 -56.25 -70.65 145.35 61.49 38.49 0.02 54.08 5.51 0.16 0.00 0.02 0.00 39.62 0.61 39 I E E 36.99 15.72 15.40 31.83 119.10 -154.56 -114.47 126.24 24.62 75.36 0.02 22.80 1.24 0.04 0.01 0.01 0.00 69.30 6.61 40 P E E 82.18 5.26 22.34 28.18 114.52 -116.02 -68.29 142.90 36.11 63.87 0.01 35.50 0.85 0.03 0.00 0.01 0.00 60.31 3.30 41 L C C 33.48 21.30 11.63 32.03 116.46 -122.27 -85.28 136.71 91.84 8.15 0.01 90.14 2.28 0.04 0.00 0.01 0.00 7.00 0.53 42 P C C 51.73 8.54 17.70 27.58 114.28 -106.68 -66.33 149.17 94.67 5.25 0.08 90.79 3.66 0.33 0.01 0.07 0.00 4.67 0.47 43 T C C 87.84 7.72 14.72 23.72 105.35 -145.24 -92.94 -3.39 75.89 23.83 0.28 54.55 19.82 1.09 0.05 0.29 0.00 22.99 1.21 44 R E E 118.60 5.82 15.91 23.14 125.88 111.58 -117.51 142.37 29.51 70.27 0.22 23.11 5.99 0.52 0.04 0.19 0.00 69.50 0.66 45 K E E 113.28 9.36 13.36 24.08 123.35 -159.24 -116.91 136.31 8.07 91.81 0.11 7.33 0.57 0.09 0.03 0.06 0.00 91.73 0.19 46 E E E 74.81 9.24 14.93 25.69 127.26 -171.68 -125.79 142.79 1.78 98.19 0.03 1.56 0.13 0.02 0.01 0.01 0.00 98.21 0.05 47 R E E 131.54 6.93 15.59 24.31 121.05 -151.32 -111.92 132.96 1.01 98.98 0.01 0.88 0.06 0.01 0.00 0.00 0.00 99.03 0.02 48 F E E 48.75 13.17 13.72 28.18 128.77 -174.98 -128.42 146.61 1.20 98.79 0.01 1.10 0.05 0.01 0.00 0.01 0.00 98.81 0.03 49 T E E 65.29 7.53 17.85 26.66 119.34 -139.98 -107.10 133.14 1.89 98.09 0.02 1.81 0.07 0.01 0.00 0.01 0.00 98.04 0.06 50 V E E 29.65 14.72 14.09 29.92 121.68 -164.84 -116.99 131.19 6.16 93.79 0.05 5.70 0.39 0.06 0.02 0.03 0.00 93.47 0.34 51 L E E 78.25 6.96 17.32 25.66 112.43 -134.88 -86.48 125.36 27.57 72.30 0.13 22.94 4.12 0.40 0.04 0.09 0.00 71.62 0.78 52 I C C 60.20 11.47 12.64 25.18 112.63 -167.00 -101.47 121.71 58.89 40.90 0.21 44.79 13.03 0.95 0.05 0.18 0.00 39.06 1.94 53 S C C 42.57 6.23 13.48 21.56 116.24 -77.03 -103.30 138.13 86.31 13.39 0.30 74.31 10.31 1.23 0.09 0.24 0.00 11.47 2.33 54 P C T 92.19 5.15 11.25 18.19 94.20 -130.70 -65.10 -20.93 92.99 0.61 6.40 3.98 18.09 70.99 0.75 5.55 0.00 0.37 0.26 55 H C T 151.24 1.38 11.88 13.45 98.03 57.33 -84.77 -9.88 92.50 0.88 6.63 4.38 18.28 69.90 0.87 5.66 0.00 0.54 0.37 56 V C S 84.76 5.02 9.49 16.08 108.10 54.65 -97.53 -10.15 79.81 11.37 8.82 21.29 35.58 23.79 1.76 6.62 0.05 6.47 4.44 57 N C C 88.54 4.74 10.71 17.00 111.10 -12.45 -108.43 107.52 83.80 10.70 5.50 59.90 12.63 11.02 1.46 4.33 0.00 8.23 2.44 58 K C T 147.06 3.41 10.84 16.13 96.49 -153.27 -69.40 -18.67 77.45 11.02 11.53 12.34 17.09 49.04 1.30 10.11 0.03 8.51 1.58 59 D C T 117.20 1.42 13.87 15.31 96.48 60.26 -86.13 -1.80 77.01 12.74 10.24 15.77 15.40 46.59 1.06 9.11 0.01 11.00 1.08 60 A C C 40.80 9.70 9.61 20.81 115.72 108.16 -83.34 135.80 77.60 17.22 5.18 60.74 12.04 4.16 0.72 4.73 0.00 16.45 1.16 61 R E E 126.08 7.24 13.56 22.38 125.27 -172.47 -120.91 142.63 42.23 56.93 0.83 36.11 4.49 1.15 0.26 0.59 0.00 55.43 1.97 62 D E E 69.24 9.59 13.60 24.28 122.15 -156.67 -111.66 137.81 22.75 77.08 0.16 19.60 2.47 0.39 0.04 0.12 0.00 76.86 0.52 63 Q E E 96.74 7.33 15.42 24.22 122.52 -160.54 -115.88 136.71 9.01 90.95 0.04 7.93 0.71 0.07 0.01 0.02 0.00 91.09 0.16 64 Y E E 73.51 13.59 12.57 26.79 129.01 -170.11 -126.43 148.81 2.99 97.01 0.01 2.74 0.10 0.01 0.00 0.00 0.00 97.10 0.04 65 E E E 92.99 6.49 18.24 25.93 121.81 -148.79 -113.90 136.80 0.65 99.34 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.38 0.01 66 I E E 54.52 14.87 14.22 29.41 121.35 -157.08 -110.48 132.94 0.69 99.31 0.00 0.65 0.01 0.00 0.00 0.00 0.00 99.33 0.01 67 R E E 88.09 9.45 18.78 29.21 122.87 -167.77 -118.07 134.66 1.11 98.88 0.00 1.03 0.03 0.00 0.00 0.00 0.00 98.93 0.01 68 T E E 49.24 12.87 17.52 30.96 121.49 -156.07 -110.28 133.53 2.60 97.39 0.01 2.30 0.15 0.01 0.00 0.00 0.00 97.50 0.04 69 H E E 40.40 14.29 17.69 32.82 126.12 -173.34 -123.27 140.59 4.23 95.76 0.01 3.73 0.33 0.03 0.00 0.01 0.00 95.82 0.08 70 L E E 64.50 11.47 21.15 32.78 120.97 -148.99 -107.06 136.39 6.64 93.35 0.01 6.16 0.26 0.01 0.00 0.00 0.00 93.49 0.07 71 R E E 34.67 19.20 17.96 36.74 125.77 -166.23 -120.06 138.30 3.98 96.02 0.00 3.66 0.20 0.01 0.00 0.00 0.00 96.08 0.05 72 L E E 39.89 11.43 24.02 36.29 118.45 -152.41 -108.57 129.03 0.92 99.08 0.00 0.83 0.03 0.00 0.00 0.00 0.00 99.11 0.02 73 V E E 5.60 24.29 18.02 42.85 120.28 -165.05 -113.76 128.50 0.26 99.74 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 74 D E E 46.47 9.66 26.45 36.78 116.22 -159.85 -105.91 123.78 0.41 99.59 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.00 75 I E E 11.04 23.13 16.72 40.27 115.09 -159.94 -102.58 122.78 4.40 95.59 0.01 4.31 0.10 0.01 0.00 0.00 0.00 95.35 0.22 76 V E E 49.88 9.67 21.31 31.72 120.34 -167.69 -105.18 144.56 39.09 60.87 0.04 24.71 14.11 0.42 0.01 0.04 0.00 60.12 0.60 77 E C S 123.10 4.68 23.12 28.11 97.41 1.16 56.08 58.98 87.48 12.50 0.02 21.06 65.38 0.57 0.00 0.02 0.00 12.73 0.24 78 P C C 19.21 22.68 10.17 31.98 117.15 -147.94 -70.08 146.06 94.69 5.23 0.08 92.21 2.75 0.19 0.02 0.04 0.00 4.19 0.60 79 T C C 58.35 5.04 20.04 25.43 123.03 -131.60 -84.91 165.51 98.42 1.29 0.29 97.37 1.17 0.14 0.18 0.04 0.00 0.46 0.64 80 E H H 138.98 3.43 15.33 20.50 91.22 -100.30 -59.52 -37.13 2.55 0.00 97.44 0.28 0.43 1.67 97.13 0.48 0.00 0.00 0.00 81 K H H 134.90 1.91 18.92 20.34 91.73 52.79 -64.88 -40.05 1.53 0.00 98.46 0.13 0.13 1.17 97.99 0.58 0.00 0.00 0.00 82 T H H 17.62 17.68 15.35 33.18 92.59 48.31 -66.22 -42.00 0.59 0.00 99.41 0.08 0.05 0.38 98.96 0.53 0.00 0.00 0.00 83 V H H 18.64 18.15 16.03 34.31 91.42 50.69 -62.84 -43.09 0.18 0.00 99.82 0.02 0.01 0.11 99.63 0.23 0.00 0.00 0.00 84 D H H 80.14 2.74 22.60 24.43 91.45 50.44 -63.68 -40.36 0.43 0.00 99.56 0.04 0.02 0.32 99.19 0.44 0.00 0.00 0.00 85 A H H 28.50 8.97 18.66 29.27 91.70 51.74 -64.41 -41.30 1.02 0.00 98.98 0.06 0.03 0.83 97.99 1.09 0.00 0.00 0.00 86 L H H 11.68 23.21 14.57 37.36 92.21 52.36 -65.92 -37.46 2.57 0.01 97.42 0.15 0.12 2.17 95.36 2.19 0.00 0.00 0.00 87 M H H 86.73 11.26 17.62 29.07 91.47 58.06 -69.36 -23.31 28.22 0.10 71.68 1.01 1.03 26.31 68.56 2.93 0.05 0.05 0.06 88 R C T 170.63 1.60 20.04 20.71 95.17 55.94 -85.27 -8.48 63.97 0.26 35.78 3.16 2.49 56.45 34.52 3.10 0.02 0.13 0.13 89 L C C 45.02 17.38 10.18 26.96 116.87 102.09 -80.99 140.38 90.46 3.02 6.52 50.85 33.33 6.03 5.80 1.31 0.02 1.47 1.19 90 D C C 113.34 2.20 20.52 22.75 109.12 -133.07 -90.52 111.24 86.69 10.04 3.28 79.74 3.10 3.72 2.14 1.01 0.00 7.47 2.82 91 L C C 41.70 20.56 10.63 29.59 121.68 -174.71 -109.67 135.89 79.04 18.69 2.27 72.31 4.45 1.31 1.65 0.81 0.00 10.79 8.68 92 A C C 49.52 7.21 17.72 25.88 117.34 -113.07 -73.32 154.99 91.69 6.78 1.52 86.99 3.26 1.64 0.61 0.72 0.00 4.45 2.32 93 A C T 77.78 4.92 15.77 22.28 111.48 -86.38 -62.92 138.13 95.36 2.91 1.73 2.39 8.38 85.07 0.28 1.18 0.00 1.98 0.73 94 G C T 48.60 3.67 18.13 22.73 96.24 22.72 85.90 -5.12 96.85 2.36 0.79 3.55 7.81 85.56 0.07 0.67 0.00 2.12 0.20 95 V C C 26.95 19.11 10.65 29.54 120.54 118.70 -98.87 135.64 61.60 38.23 0.18 54.71 5.32 0.46 0.04 0.15 0.00 38.16 1.17 96 D E E 88.84 4.30 22.97 27.69 115.62 -149.53 -102.81 125.97 17.50 82.42 0.08 16.53 0.70 0.11 0.02 0.04 0.00 82.11 0.48 97 V E E 26.11 22.98 11.81 33.79 125.18 -170.59 -122.37 135.65 8.57 91.42 0.02 8.34 0.18 0.02 0.00 0.00 0.00 91.35 0.11 98 Q E E 97.84 4.52 24.52 29.43 120.95 -166.22 -117.56 131.70 3.07 96.92 0.01 2.97 0.07 0.01 0.00 0.00 0.00 96.91 0.04 99 I E E 35.87 21.85 12.85 33.76 122.22 -165.20 -117.42 130.28 3.02 96.97 0.01 3.07 0.05 0.00 0.00 0.00 0.00 96.81 0.06 100 S E E 55.96 5.36 21.03 27.18 125.89 -173.08 -124.56 141.40 4.62 95.37 0.01 4.58 0.10 0.01 0.00 0.00 0.00 95.08 0.22 101 L E E 74.99 14.19 12.09 26.04 119.50 -155.95 -109.22 131.31 26.20 73.77 0.04 25.71 0.35 0.08 0.01 0.02 0.00 73.23 0.60 102 G C C 44.66 4.26 18.17 23.09 118.47 16.58 90.79 -154.66 99.25 0.75 0.00 99.16 0.13 0.03 0.00 0.00 0.00 0.67 0.01