# 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 Q C C 87.84 9.42 18.01 27.74 118.12 -170.64 -103.68 140.10 99.27 0.73 0.00 99.21 0.13 0.01 0.00 0.00 0.00 0.63 0.01 1 R E E 111.11 9.48 18.33 28.37 122.64 -147.47 -109.77 136.85 25.79 74.20 0.02 25.60 0.39 0.03 0.00 0.01 0.00 73.44 0.52 2 I E E 15.43 20.56 14.60 35.36 123.45 -163.23 -117.53 134.96 2.77 97.23 0.00 2.68 0.07 0.00 0.00 0.00 0.00 97.19 0.06 3 R E E 94.72 8.55 23.83 32.84 119.18 -156.85 -111.73 127.53 0.70 99.30 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.31 0.01 4 I E E 7.58 24.17 16.44 41.07 121.15 -167.81 -116.14 129.31 0.35 99.65 0.00 0.36 0.00 0.00 0.00 0.00 0.00 99.63 0.00 5 R E E 90.07 8.86 26.08 35.35 117.17 -160.43 -109.65 125.19 0.34 99.66 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.66 0.00 6 L E E 5.32 25.29 16.78 42.66 123.81 -170.20 -117.77 136.43 0.91 99.09 0.00 0.92 0.01 0.00 0.00 0.00 0.00 99.06 0.01 7 K E E 86.72 8.45 26.51 35.46 123.88 -165.16 -118.49 135.89 3.53 96.46 0.00 3.34 0.12 0.01 0.00 0.00 0.00 96.43 0.10 8 A E E 8.71 21.77 14.12 35.82 136.63 168.61 -143.16 158.93 28.90 71.06 0.04 28.04 0.82 0.07 0.01 0.03 0.00 70.13 0.91 9 F C S 115.95 6.60 20.81 28.18 94.44 -133.69 -77.45 -24.23 98.95 1.02 0.03 6.04 92.66 0.49 0.00 0.01 0.00 0.74 0.06 10 D C C 62.09 7.75 18.25 27.18 114.33 57.31 -115.56 109.26 98.93 0.97 0.10 70.44 28.32 0.36 0.05 0.04 0.00 0.40 0.40 11 H H H 96.51 11.81 14.33 26.86 93.14 -164.18 -63.06 -34.87 2.13 0.00 97.86 0.30 0.31 1.34 97.41 0.63 0.00 0.00 0.00 12 R H H 158.89 1.51 20.95 21.37 91.80 55.76 -64.07 -40.33 1.06 0.00 98.94 0.09 0.08 0.80 98.39 0.63 0.00 0.00 0.00 13 L H H 39.18 11.71 18.19 30.94 92.09 48.38 -65.46 -41.23 0.40 0.00 99.60 0.06 0.03 0.24 99.09 0.58 0.00 0.00 0.00 14 I H H 7.05 23.95 14.53 38.55 91.26 51.45 -62.86 -43.46 0.16 0.00 99.84 0.03 0.01 0.07 99.81 0.07 0.00 0.00 0.00 15 D H H 74.44 7.13 23.15 30.52 91.45 50.31 -63.76 -41.73 0.17 0.00 99.83 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 16 Q H H 97.90 2.94 25.68 27.77 91.74 49.37 -64.71 -41.68 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 17 A H H 6.51 20.04 19.92 40.14 91.61 49.59 -63.94 -42.92 0.14 0.00 99.86 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 18 T H H 14.86 20.89 20.69 40.86 91.49 51.27 -62.77 -42.29 0.15 0.00 99.85 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 19 A H H 55.70 4.09 25.77 29.57 91.57 51.14 -63.81 -41.91 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 20 E H H 73.24 8.66 24.72 33.67 91.62 49.49 -64.94 -41.99 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 21 I H H 2.32 26.43 19.72 46.37 91.39 49.15 -63.72 -43.72 0.13 0.00 99.87 0.01 0.01 0.08 99.89 0.02 0.00 0.00 0.00 22 V H H 32.84 15.79 22.12 37.54 91.45 49.81 -63.03 -42.74 0.18 0.00 99.82 0.02 0.01 0.10 99.86 0.01 0.00 0.00 0.00 23 E H H 103.95 2.34 26.37 27.17 91.56 50.03 -63.67 -42.12 0.38 0.00 99.62 0.06 0.02 0.20 99.69 0.03 0.00 0.00 0.00 24 T H H 19.29 13.72 20.71 35.28 91.89 49.53 -64.43 -42.27 0.68 0.00 99.32 0.06 0.04 0.46 99.37 0.08 0.00 0.00 0.00 25 A H H 3.95 23.75 14.47 38.42 91.35 51.31 -63.43 -42.11 1.21 0.00 98.79 0.16 0.09 0.78 98.67 0.30 0.00 0.00 0.00 26 K H H 131.96 4.31 19.53 25.11 91.41 50.62 -63.29 -39.87 2.31 0.01 97.67 0.29 0.13 1.76 96.68 1.13 0.00 0.01 0.00 27 R H H 159.63 2.38 19.43 21.95 91.02 53.38 -66.20 -29.59 9.21 0.02 90.76 0.30 0.35 8.69 89.69 0.94 0.02 0.01 0.01 28 T C T 43.66 13.75 14.13 28.37 94.55 48.20 -91.55 -0.61 62.49 0.06 37.45 0.56 1.60 59.40 37.08 1.28 0.01 0.02 0.05 29 G C T 53.28 2.05 21.60 22.87 97.10 -104.69 87.18 11.28 99.81 0.03 0.16 3.81 2.05 94.04 0.06 0.04 0.00 0.01 0.00 30 A C C 12.86 22.08 9.54 30.72 120.27 142.80 -84.59 147.84 98.01 1.97 0.02 96.33 1.68 0.09 0.00 0.01 0.00 1.79 0.09 31 Q E E 116.80 2.92 24.41 27.05 110.92 -128.89 -89.96 124.47 26.39 73.53 0.08 25.39 0.90 0.11 0.02 0.05 0.00 72.77 0.75 32 V E E 33.42 22.52 11.19 32.45 119.18 -159.61 -106.70 128.97 7.89 92.08 0.03 7.92 0.19 0.02 0.02 0.01 0.00 88.91 2.92 33 R E E 137.19 4.45 20.22 25.46 114.71 -171.70 -112.16 125.89 23.46 76.50 0.04 19.59 3.48 0.18 0.01 0.03 0.00 75.83 0.88 34 G C E 32.46 5.12 20.08 25.80 132.29 -39.08 111.64 -176.07 53.47 46.51 0.02 21.48 30.73 0.44 0.00 0.02 0.00 47.07 0.26 35 P C C 66.04 12.88 15.71 28.55 115.37 -57.11 -70.44 144.85 62.58 37.40 0.02 55.06 5.31 0.15 0.00 0.02 0.00 38.97 0.49 36 I E E 38.80 15.22 15.55 31.58 118.91 -156.99 -114.50 126.15 21.17 78.82 0.01 19.52 1.13 0.03 0.01 0.01 0.00 73.10 6.20 37 P E E 81.43 5.43 22.11 28.16 114.68 -115.31 -68.19 143.44 31.57 68.42 0.01 31.09 0.76 0.03 0.00 0.01 0.00 64.87 3.24 38 L C C 35.66 20.85 11.91 31.87 116.24 -120.11 -83.14 137.54 90.55 9.44 0.01 89.11 1.93 0.04 0.00 0.01 0.00 8.39 0.52 39 P C C 49.11 9.40 16.88 27.70 113.99 -105.96 -66.04 148.06 93.91 6.01 0.09 90.63 3.13 0.32 0.02 0.07 0.00 5.30 0.55 40 T C C 92.01 6.33 15.11 23.01 100.78 -149.79 -91.05 -10.71 80.80 18.96 0.24 49.46 30.35 1.20 0.04 0.26 0.00 17.63 1.06 41 R E E 124.52 4.56 16.48 22.36 125.35 73.42 -116.80 143.91 33.29 66.50 0.21 24.03 9.25 0.63 0.03 0.18 0.00 65.17 0.69 42 K E E 112.23 10.23 12.71 24.06 124.01 -156.31 -118.28 137.85 9.31 90.58 0.11 8.57 0.60 0.09 0.02 0.06 0.00 90.43 0.23 43 E E E 79.39 8.26 15.30 25.13 127.47 -171.63 -127.10 143.26 1.89 98.08 0.03 1.70 0.12 0.02 0.01 0.01 0.00 98.07 0.07 44 R E E 136.66 6.53 15.17 23.58 119.79 -146.03 -107.92 132.74 1.38 98.59 0.03 1.22 0.08 0.01 0.01 0.01 0.00 98.64 0.03 45 F E E 52.37 12.67 13.42 27.38 129.63 -175.71 -129.24 149.30 2.63 97.31 0.06 2.45 0.11 0.02 0.01 0.03 0.00 97.31 0.06 46 T E E 66.60 7.40 17.48 26.14 119.55 -136.38 -106.18 133.19 4.86 95.08 0.06 4.66 0.19 0.03 0.02 0.03 0.00 94.83 0.24 47 V E E 33.17 14.16 13.77 29.05 120.16 -161.63 -113.59 130.29 17.10 82.72 0.18 15.21 1.52 0.21 0.07 0.10 0.00 81.92 0.96 48 L C E 76.04 7.22 15.97 24.79 111.62 -133.61 -85.00 124.64 50.02 49.71 0.27 40.66 7.88 0.85 0.08 0.20 0.00 49.09 1.25 49 I C C 75.29 9.46 13.11 23.80 104.15 -173.95 -97.86 -8.78 74.50 25.18 0.33 53.57 19.38 1.69 0.08 0.29 0.00 22.98 2.01 50 S C C 43.49 5.96 13.03 20.82 126.21 22.24 -123.93 150.85 85.25 14.25 0.49 60.71 22.52 2.46 0.15 0.43 0.00 9.48 4.24 51 P C T 102.05 3.72 11.33 16.69 93.26 -111.48 -64.63 -21.44 95.57 0.41 4.01 3.24 16.70 75.74 0.47 3.41 0.00 0.25 0.19 52 H C T 151.96 1.40 11.79 13.46 97.79 53.95 -87.04 -4.24 95.18 0.79 4.03 4.73 15.87 74.62 0.60 3.36 0.00 0.53 0.29 53 V C C 75.45 7.41 8.37 17.09 113.41 75.70 -96.48 129.27 76.77 16.69 6.54 34.24 31.51 11.73 1.76 4.54 0.04 8.76 7.42 54 N C C 90.06 4.46 11.26 17.22 113.20 -121.84 -95.45 123.52 87.61 7.91 4.49 73.32 8.59 5.31 1.78 2.81 0.00 6.17 2.03 55 K C T 150.20 3.15 11.12 16.12 95.70 -151.10 -68.98 -21.61 67.46 5.01 27.54 12.98 12.96 42.47 4.96 21.76 0.07 3.43 1.36 56 D C T 113.47 1.70 14.00 15.93 96.21 62.42 -81.95 -7.90 66.97 5.43 27.60 14.59 11.62 41.88 5.03 21.67 0.05 3.96 1.21 57 A C C 37.88 10.78 9.73 21.66 106.93 90.35 -80.45 83.74 60.67 9.54 29.80 39.03 11.67 11.24 5.18 24.03 0.02 7.35 1.48 58 R C C 119.20 8.50 13.22 22.66 112.05 92.02 -91.10 120.38 62.39 21.97 15.64 42.20 12.01 8.97 4.10 11.46 0.06 18.85 2.36 59 D C C 84.02 7.07 14.84 22.95 111.68 -149.94 -96.62 118.32 56.61 34.71 8.67 40.89 10.33 5.88 1.52 6.59 0.00 33.71 1.07 60 Q E E 94.99 7.67 15.26 24.13 120.33 -153.53 -109.79 136.61 33.54 65.13 1.33 26.38 5.41 1.53 0.32 0.90 0.00 64.83 0.63 61 Y E E 74.79 14.17 12.13 26.57 129.95 -170.76 -128.41 149.94 7.13 92.80 0.07 6.44 0.42 0.06 0.02 0.03 0.00 92.87 0.16 62 E E E 96.63 6.29 18.26 25.72 122.54 -147.99 -114.65 137.89 0.96 99.02 0.01 0.85 0.04 0.01 0.00 0.00 0.00 99.07 0.03 63 I E E 57.91 15.10 13.90 29.12 120.86 -154.97 -109.48 131.81 0.81 99.18 0.00 0.75 0.01 0.00 0.00 0.00 0.00 99.21 0.01 64 R E E 91.78 9.20 18.43 28.63 121.67 -167.22 -116.19 134.14 1.42 98.57 0.01 1.31 0.04 0.00 0.00 0.00 0.00 98.62 0.02 65 T E E 52.94 12.62 16.94 30.06 121.31 -159.08 -111.20 133.94 3.95 96.04 0.02 3.32 0.37 0.04 0.00 0.01 0.00 96.21 0.05 66 H E E 46.40 13.62 17.43 31.87 126.71 -171.27 -124.44 141.42 5.02 94.95 0.03 4.26 0.55 0.06 0.00 0.01 0.00 95.02 0.08 67 L E E 68.38 11.40 20.52 32.07 121.22 -151.13 -108.55 137.50 6.60 93.39 0.01 6.06 0.28 0.01 0.00 0.00 0.00 93.57 0.06 68 R E E 38.11 18.63 17.79 36.08 127.12 -168.28 -122.98 138.87 3.35 96.65 0.00 3.08 0.15 0.01 0.00 0.00 0.00 96.71 0.04 69 L E E 42.49 11.33 23.76 35.89 118.41 -152.67 -109.20 128.15 0.79 99.20 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.25 0.02 70 V E E 6.28 23.93 17.98 42.39 120.21 -165.05 -113.70 129.47 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 71 D E E 46.76 9.73 26.31 36.68 116.54 -159.55 -107.07 123.94 0.38 99.62 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 72 I E E 10.71 23.07 16.52 40.03 114.81 -160.19 -103.51 122.26 4.55 95.44 0.01 4.45 0.10 0.01 0.00 0.00 0.00 95.21 0.22 73 V E E 51.78 9.28 21.12 31.17 121.13 -166.83 -106.81 144.06 40.89 59.08 0.04 22.05 18.68 0.54 0.00 0.04 0.00 58.17 0.52 74 E C S 126.18 4.00 23.00 27.30 95.39 2.61 56.53 55.88 90.54 9.44 0.02 13.41 75.90 0.73 0.00 0.01 0.00 9.78 0.18 75 P C C 17.58 22.87 9.87 31.88 117.16 -156.09 -70.10 145.26 95.96 3.97 0.06 93.07 3.08 0.21 0.02 0.04 0.00 3.12 0.47 76 T C C 59.70 4.66 20.70 25.43 123.62 -134.68 -87.59 166.43 98.61 1.11 0.28 97.52 1.17 0.14 0.18 0.04 0.00 0.37 0.59 77 E H H 135.77 4.05 15.29 21.17 91.11 -100.16 -59.37 -37.10 2.67 0.00 97.33 0.25 0.43 1.82 96.98 0.52 0.00 0.00 0.00 78 K H H 135.66 1.80 19.28 20.44 91.64 52.50 -64.93 -39.94 1.66 0.00 98.33 0.13 0.14 1.29 97.82 0.62 0.00 0.00 0.00 79 T H H 17.60 17.42 15.71 33.28 92.49 48.16 -65.91 -42.14 0.62 0.00 99.38 0.09 0.05 0.41 98.92 0.54 0.00 0.00 0.00 80 V H H 15.25 19.23 15.95 35.25 91.36 50.81 -62.72 -43.22 0.15 0.00 99.85 0.02 0.01 0.09 99.71 0.17 0.00 0.00 0.00 81 D H H 79.39 3.01 22.74 25.03 91.49 50.55 -63.53 -40.33 0.31 0.00 99.69 0.03 0.01 0.21 99.42 0.32 0.00 0.00 0.00 82 A H H 29.71 8.46 19.23 29.30 91.65 51.55 -64.27 -41.40 0.71 0.00 99.29 0.04 0.02 0.56 98.60 0.77 0.00 0.00 0.00 83 L H H 10.38 23.34 15.02 37.99 92.23 51.63 -65.97 -37.96 2.01 0.00 97.98 0.11 0.09 1.70 96.52 1.58 0.00 0.00 0.00 84 M H H 79.02 12.63 17.53 30.13 91.45 57.49 -68.16 -24.21 25.75 0.06 74.20 0.84 0.86 24.39 71.46 2.36 0.03 0.02 0.04 85 R C T 171.62 1.54 20.40 20.95 94.37 55.74 -85.72 -8.70 63.51 0.17 36.32 2.90 2.38 56.28 35.55 2.69 0.01 0.07 0.10 86 L C C 44.10 17.30 10.61 27.41 117.36 101.90 -80.21 140.86 90.88 2.18 6.94 45.40 37.84 7.24 6.19 1.36 0.01 0.97 0.99 87 D C C 111.71 2.40 20.92 23.46 108.68 -128.80 -86.34 112.66 86.40 9.71 3.89 77.02 4.04 5.04 2.47 1.33 0.00 7.08 3.02 88 L C C 37.83 21.09 11.02 30.56 122.32 -177.20 -111.07 137.05 76.95 20.82 2.23 69.37 5.08 1.26 1.58 0.81 0.00 11.12 10.77 89 A C C 46.18 7.87 18.14 27.00 117.29 -111.65 -71.45 153.96 91.89 6.44 1.67 87.77 2.90 1.59 0.73 0.71 0.00 4.17 2.14 90 A C T 73.60 6.09 16.12 23.60 111.79 -90.14 -63.45 139.70 95.76 2.66 1.58 2.63 8.00 85.59 0.24 1.09 0.00 1.78 0.67 91 G C T 47.13 4.01 18.66 23.63 96.14 24.08 85.92 -4.26 96.98 2.28 0.75 3.84 7.12 86.11 0.07 0.64 0.00 2.03 0.19 92 V C C 25.13 19.43 11.09 30.31 118.82 125.87 -91.56 134.97 71.50 28.33 0.17 65.19 4.72 0.38 0.03 0.14 0.00 28.69 0.85 93 D E E 88.71 4.32 23.42 28.06 114.12 -145.44 -98.88 126.01 20.04 79.88 0.08 19.21 0.66 0.12 0.02 0.04 0.00 79.42 0.51 94 V E E 22.67 23.48 11.86 34.43 125.51 -171.81 -123.66 136.84 10.17 89.82 0.01 9.99 0.18 0.02 0.00 0.01 0.00 89.68 0.13 95 Q E E 96.78 4.55 24.16 29.13 122.75 -167.02 -119.18 135.24 4.65 95.33 0.01 4.63 0.08 0.01 0.00 0.00 0.00 95.19 0.08 96 I E E 40.10 20.78 12.20 32.05 121.55 -162.38 -115.83 130.78 6.15 93.84 0.01 6.28 0.09 0.01 0.00 0.00 0.00 93.42 0.20 97 S E E 57.64 4.98 18.95 25.01 127.02 -174.86 -126.90 145.88 14.66 85.32 0.01 14.82 0.15 0.02 0.00 0.01 0.00 84.43 0.56 98 L C C 82.94 12.10 14.04 26.27 116.12 -135.49 -95.84 128.79 96.24 3.76 0.00 96.31 0.06 0.00 0.00 0.00 0.00 3.59 0.03