# 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 115.62 5.69 13.74 20.76 112.89 -159.40 -93.01 127.09 99.89 0.10 0.01 99.85 0.07 0.02 0.00 0.00 0.00 0.05 0.01 1 A C C 62.22 7.14 11.46 19.97 114.34 -158.66 -89.50 139.45 94.30 4.27 1.43 90.27 1.14 3.39 0.37 0.66 0.00 3.37 0.80 2 K C C 130.80 5.09 14.20 20.75 112.89 -142.57 -96.26 121.55 87.33 11.08 1.59 60.13 19.14 7.33 0.22 1.62 0.00 10.69 0.87 3 Q C C 69.67 12.16 13.90 26.59 122.05 -156.54 -111.04 140.20 66.92 31.82 1.26 48.41 14.47 2.93 0.15 1.18 0.00 32.14 0.72 4 K E E 90.26 9.51 20.11 30.06 125.43 -157.67 -117.17 139.29 27.17 72.59 0.24 24.25 2.35 0.28 0.05 0.15 0.00 72.31 0.60 5 I E E 11.05 22.59 15.83 38.69 122.85 -161.23 -118.50 133.78 5.13 94.86 0.01 4.92 0.19 0.01 0.00 0.01 0.00 94.73 0.14 6 R E E 86.98 9.35 25.00 34.67 118.03 -157.95 -111.18 126.97 1.58 98.41 0.00 1.50 0.05 0.00 0.00 0.00 0.00 98.42 0.02 7 I E E 6.53 24.62 17.29 42.48 120.33 -165.60 -114.55 128.27 0.74 99.26 0.00 0.74 0.01 0.00 0.00 0.00 0.00 99.23 0.01 8 R E E 84.64 9.27 26.65 36.38 116.93 -161.50 -109.07 124.23 0.65 99.35 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.35 0.01 9 L E E 4.06 25.86 17.15 43.81 123.71 -170.29 -117.68 137.68 1.48 98.51 0.00 1.49 0.02 0.00 0.00 0.00 0.00 98.46 0.03 10 K E E 81.37 9.04 26.93 36.46 124.82 -167.82 -121.63 137.69 3.91 96.08 0.01 3.68 0.16 0.01 0.00 0.00 0.00 96.00 0.14 11 A E E 7.83 22.23 14.40 36.60 136.38 169.74 -143.69 158.16 26.17 73.78 0.05 25.39 0.83 0.08 0.01 0.03 0.00 72.68 0.97 12 Y C S 126.83 6.67 21.15 28.56 94.86 -134.46 -78.06 -24.93 98.89 1.08 0.03 5.73 92.84 0.55 0.00 0.01 0.00 0.80 0.07 13 D C C 62.91 7.58 19.12 27.75 114.33 56.15 -116.42 110.44 98.89 0.99 0.11 67.49 31.23 0.37 0.06 0.04 0.00 0.43 0.38 14 H H H 92.26 12.94 14.49 27.80 93.00 -162.07 -63.05 -34.55 2.70 0.01 97.30 0.42 0.44 1.67 96.85 0.62 0.00 0.00 0.00 15 R H H 157.30 1.67 21.62 22.35 91.85 56.10 -64.22 -40.44 1.35 0.00 98.65 0.14 0.13 0.98 98.20 0.54 0.00 0.00 0.00 16 V H H 32.14 12.00 18.73 31.78 92.07 48.28 -65.29 -41.85 0.53 0.00 99.47 0.10 0.05 0.31 99.05 0.48 0.00 0.00 0.00 17 I H H 5.26 24.77 15.15 40.09 91.24 50.83 -63.27 -43.52 0.23 0.00 99.77 0.05 0.02 0.11 99.74 0.09 0.00 0.00 0.00 18 D H H 66.72 8.95 23.33 32.35 91.53 50.36 -63.66 -42.24 0.23 0.00 99.77 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 19 Q H H 93.09 3.11 26.45 28.78 91.65 49.23 -64.48 -42.10 0.21 0.00 99.79 0.02 0.01 0.14 99.81 0.03 0.00 0.00 0.00 20 S H H 6.94 19.74 20.94 40.73 91.84 49.60 -64.25 -42.54 0.28 0.00 99.72 0.03 0.01 0.18 99.76 0.03 0.00 0.00 0.00 21 A H H 6.59 22.65 20.08 42.41 91.21 51.85 -62.60 -42.31 0.16 0.00 99.84 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 22 E H H 104.88 4.15 26.54 30.86 91.45 50.98 -63.85 -41.58 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 23 K H H 81.81 8.55 25.40 34.25 91.63 49.57 -64.59 -42.33 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 24 I H H 2.03 26.68 20.39 47.30 91.24 49.09 -63.85 -43.74 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 25 V H H 26.82 17.09 22.28 38.85 91.28 49.80 -62.93 -42.98 0.13 0.00 99.87 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 26 E H H 102.89 2.47 26.86 27.98 91.42 49.99 -63.52 -42.14 0.27 0.00 99.73 0.04 0.01 0.14 99.79 0.02 0.00 0.00 0.00 27 T H H 19.21 13.89 21.05 35.73 91.83 49.45 -64.40 -42.19 0.45 0.00 99.55 0.04 0.02 0.29 99.60 0.05 0.00 0.00 0.00 28 A H H 3.50 24.07 14.78 39.13 91.37 50.98 -63.52 -42.21 0.85 0.00 99.15 0.11 0.06 0.52 99.13 0.17 0.00 0.00 0.00 29 K H H 130.02 4.67 19.86 25.86 91.34 50.70 -63.08 -40.26 1.66 0.01 98.33 0.20 0.09 1.21 97.87 0.61 0.00 0.00 0.00 30 R H H 160.64 2.39 19.49 22.07 90.86 53.47 -65.85 -28.80 7.92 0.02 92.07 0.24 0.27 7.48 91.37 0.61 0.01 0.01 0.01 31 S C T 36.93 13.54 13.94 28.04 94.03 50.84 -89.13 -0.91 72.14 0.04 27.83 0.38 1.14 69.62 28.00 0.81 0.00 0.01 0.03 32 G C T 55.98 1.64 21.32 21.90 96.14 -103.94 85.95 12.16 99.83 0.02 0.15 1.88 1.42 96.60 0.06 0.03 0.00 0.01 0.00 33 A C C 14.71 21.67 9.49 30.10 120.65 141.79 -86.93 148.49 98.26 1.71 0.02 96.67 1.65 0.10 0.00 0.01 0.00 1.46 0.10 34 D E E 103.11 2.47 24.11 26.08 109.73 -125.96 -87.81 120.67 41.45 58.46 0.09 39.23 1.55 0.21 0.02 0.07 0.00 57.91 1.01 35 V E E 30.07 23.12 10.74 32.47 121.64 -166.57 -112.52 133.01 12.70 87.25 0.06 12.35 0.38 0.04 0.03 0.03 0.00 80.76 6.41 36 S E E 66.91 4.69 20.91 26.15 116.65 -170.67 -112.79 130.37 32.20 67.75 0.06 24.85 6.97 0.39 0.01 0.05 0.00 66.70 1.02 37 G C E 33.14 5.21 20.71 26.44 132.46 -19.45 113.26 -176.78 56.50 43.47 0.02 19.83 35.71 0.55 0.00 0.03 0.00 43.56 0.32 38 P C C 65.33 13.33 16.20 29.33 115.72 -59.95 -70.60 145.94 62.69 37.28 0.03 55.76 5.19 0.15 0.00 0.03 0.00 38.23 0.65 39 I E E 34.72 16.34 15.95 32.87 118.77 -153.31 -113.82 125.76 19.28 80.70 0.02 17.68 1.04 0.03 0.01 0.01 0.00 72.52 8.70 40 P E E 79.68 5.78 23.08 29.45 114.58 -115.96 -68.83 143.11 33.78 66.20 0.01 33.10 0.89 0.03 0.00 0.01 0.00 62.83 3.13 41 L C C 31.19 21.75 12.54 33.54 116.78 -121.40 -84.49 137.74 92.09 7.89 0.02 89.81 2.68 0.05 0.01 0.01 0.00 6.96 0.48 42 P C C 42.88 10.93 17.51 29.61 113.98 -104.16 -65.71 148.77 92.58 7.00 0.43 89.36 2.97 0.51 0.10 0.28 0.00 6.04 0.74 43 T C C 87.80 7.22 16.14 24.58 99.39 -151.91 -89.32 -15.13 75.85 21.97 2.18 37.70 36.44 2.53 0.45 1.66 0.00 19.92 1.30 44 E E E 103.39 4.69 18.15 23.92 124.21 60.84 -115.93 143.68 24.37 73.11 2.52 17.66 6.35 1.80 0.54 1.55 0.01 71.37 0.71 45 K E E 98.23 13.22 13.46 26.74 127.08 -166.36 -126.73 139.62 7.94 90.60 1.47 6.66 0.94 0.44 0.46 0.61 0.00 90.63 0.25 46 S E E 37.04 9.24 17.06 27.84 129.68 -173.02 -128.46 148.51 2.96 96.71 0.33 2.40 0.26 0.10 0.13 0.10 0.00 96.91 0.10 47 V E E 65.33 10.25 16.65 28.08 119.75 -144.45 -110.94 129.89 1.90 97.89 0.21 1.57 0.13 0.04 0.07 0.06 0.00 98.08 0.05 48 Y E E 52.76 13.45 15.31 29.98 124.55 -169.87 -119.05 138.84 2.26 97.42 0.31 1.95 0.14 0.05 0.12 0.09 0.00 97.57 0.07 49 T E E 56.35 8.68 18.74 28.61 118.98 -147.78 -106.82 131.09 4.40 95.14 0.46 3.99 0.23 0.08 0.22 0.15 0.00 95.17 0.16 50 I E E 33.17 14.79 14.65 30.48 118.70 -158.96 -109.30 127.88 14.25 83.53 2.22 12.28 1.33 0.51 1.44 0.69 0.00 83.05 0.70 51 I E E 66.70 8.63 16.09 26.28 115.95 -146.80 -97.28 131.27 32.13 61.95 5.92 24.56 6.05 2.32 3.41 2.28 0.01 60.13 1.23 52 R C E 111.51 7.92 14.25 23.44 114.15 -151.89 -97.84 129.51 47.51 42.91 9.58 33.57 10.34 4.31 5.68 3.87 0.05 39.54 2.64 53 A C C 42.45 7.60 11.27 20.79 118.42 -128.72 -94.14 140.01 67.98 21.34 10.68 50.10 10.89 6.29 5.83 4.99 0.02 19.22 2.67 54 V C T 97.93 4.36 10.97 16.81 99.77 -127.06 -72.36 -16.81 77.21 4.98 17.80 19.75 25.76 33.28 7.84 8.57 0.09 3.14 1.57 55 H C T 136.65 2.44 10.19 13.68 103.97 47.53 -88.27 27.15 80.18 3.00 16.82 17.02 26.15 38.39 6.25 9.13 0.05 1.66 1.36 56 K C T 149.58 2.24 10.52 13.84 101.44 -13.95 -78.18 -8.26 81.10 5.40 13.50 21.12 29.01 32.68 3.80 8.32 0.03 3.21 1.82 57 Y C C 125.86 5.42 8.72 15.84 110.34 67.41 -103.87 96.95 79.24 11.76 9.01 41.40 18.72 20.53 2.50 6.17 0.02 7.99 2.68 58 K C T 142.56 3.14 10.99 15.71 100.19 172.38 -76.68 -19.87 77.70 12.95 9.35 25.49 21.15 32.91 1.72 7.15 0.03 9.80 1.76 59 D C T 109.09 2.54 12.87 16.36 101.16 50.29 -89.27 15.24 76.85 15.37 7.78 27.71 19.78 30.97 1.21 6.21 0.01 12.73 1.38 60 S C C 44.14 9.19 9.90 20.59 117.04 119.36 -91.61 139.70 70.26 24.94 4.80 50.51 13.16 6.29 0.95 3.99 0.00 23.55 1.54 61 R C E 125.60 7.15 13.11 21.76 120.92 -156.00 -107.79 138.38 51.29 46.45 2.26 38.75 8.40 3.96 0.54 1.71 0.00 45.24 1.39 62 E E E 95.76 8.60 13.98 23.75 119.80 -151.65 -104.64 137.73 34.27 64.66 1.07 26.80 5.36 1.72 0.22 0.80 0.00 64.54 0.56 63 Q E E 92.04 8.06 15.06 24.36 121.96 -153.81 -113.81 138.29 15.63 84.01 0.36 12.69 2.27 0.66 0.09 0.23 0.00 83.77 0.27 64 F E E 64.83 13.34 12.93 27.02 128.26 -175.08 -124.71 148.07 4.17 95.77 0.06 3.65 0.28 0.06 0.02 0.02 0.00 95.89 0.08 65 E E E 90.69 7.35 17.85 26.45 124.53 -157.34 -120.40 138.96 1.14 98.84 0.02 0.98 0.06 0.01 0.01 0.01 0.00 98.91 0.03 66 Q E E 65.14 14.13 14.60 28.94 125.86 -164.09 -121.67 139.36 1.11 98.88 0.01 0.98 0.04 0.00 0.00 0.00 0.00 98.96 0.02 67 R E E 93.21 9.32 18.48 28.76 123.42 -166.11 -118.92 136.46 1.33 98.66 0.01 1.17 0.06 0.01 0.00 0.00 0.00 98.73 0.02 68 T E E 47.44 12.98 17.28 30.84 121.74 -157.67 -112.71 134.60 2.98 97.01 0.02 2.57 0.20 0.02 0.00 0.01 0.00 97.14 0.05 69 H E E 40.66 14.19 17.63 32.69 126.68 -172.13 -124.35 141.00 4.84 95.14 0.02 4.18 0.46 0.05 0.00 0.01 0.00 95.18 0.12 70 K E E 90.64 10.98 20.99 32.02 123.17 -151.62 -112.08 137.51 8.06 91.93 0.01 7.34 0.40 0.02 0.00 0.00 0.00 92.12 0.10 71 R E E 35.03 18.87 17.99 36.54 127.40 -168.88 -124.03 140.90 4.80 95.20 0.01 4.39 0.25 0.01 0.00 0.00 0.00 95.27 0.07 72 L E E 39.59 11.57 23.87 36.31 118.12 -151.87 -109.17 128.23 0.88 99.12 0.00 0.78 0.03 0.00 0.00 0.00 0.00 99.17 0.02 73 I E E 6.33 24.13 18.30 43.02 120.11 -165.39 -114.15 127.93 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 74 D E E 45.05 9.98 26.37 37.01 115.72 -160.02 -106.79 123.03 0.27 99.73 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.75 0.00 75 I E E 9.22 23.24 17.11 40.81 115.41 -162.68 -107.43 122.54 2.88 97.11 0.01 2.78 0.07 0.01 0.00 0.00 0.00 97.01 0.13 76 V E E 51.71 9.37 21.42 31.53 123.08 -168.14 -110.67 143.46 30.26 69.70 0.04 13.76 15.63 0.82 0.00 0.04 0.00 69.36 0.39 77 N C S 106.11 3.65 22.66 26.68 92.33 6.66 58.22 48.58 90.46 9.53 0.01 7.86 80.77 1.18 0.00 0.01 0.00 10.05 0.14 78 P C C 16.35 22.73 10.14 32.07 117.73 -168.01 -72.31 146.28 95.72 4.25 0.03 90.70 5.34 0.15 0.01 0.02 0.00 3.14 0.63 79 T C C 58.49 5.04 21.17 26.36 120.54 -127.33 -82.83 159.72 99.74 0.20 0.06 99.01 0.77 0.04 0.04 0.00 0.00 0.06 0.08 80 P H H 85.48 6.84 14.98 23.29 91.28 -108.88 -58.21 -36.24 3.55 0.00 96.44 0.25 0.34 2.81 95.70 0.90 0.00 0.00 0.00 81 K H H 139.13 1.60 19.52 20.17 91.62 53.69 -64.86 -39.00 2.19 0.00 97.81 0.14 0.15 1.78 96.93 0.99 0.00 0.00 0.00 82 T H H 22.52 15.77 15.92 31.99 92.69 48.27 -66.46 -41.46 0.80 0.00 99.19 0.11 0.06 0.53 98.45 0.85 0.00 0.00 0.00 83 V H H 16.47 20.19 14.98 34.92 91.44 51.75 -62.64 -43.05 0.23 0.00 99.77 0.03 0.02 0.13 99.57 0.25 0.00 0.00 0.00 84 D H H 89.29 2.75 21.97 24.20 91.36 50.79 -63.56 -39.82 0.45 0.00 99.55 0.04 0.02 0.31 99.19 0.43 0.00 0.00 0.00 85 A H H 43.87 6.68 19.57 27.18 91.68 51.72 -64.74 -40.53 1.03 0.00 98.96 0.06 0.04 0.82 98.16 0.90 0.00 0.00 0.00 86 L H H 10.41 23.29 14.17 37.12 92.43 51.17 -65.99 -39.11 2.89 0.01 97.10 0.19 0.16 2.36 95.70 1.56 0.00 0.00 0.00 87 M H H 81.68 12.82 16.91 29.61 91.62 58.31 -67.80 -25.05 26.05 0.10 73.85 1.31 1.24 23.26 71.80 2.23 0.04 0.04 0.07 88 G C T 57.69 1.37 19.61 19.81 93.88 56.00 -84.30 -7.78 67.17 0.20 32.63 3.78 3.01 57.93 32.70 2.36 0.01 0.09 0.12 89 L C C 47.99 16.38 9.90 25.91 117.40 104.80 -79.52 143.42 94.90 1.78 3.32 56.43 32.95 5.53 2.49 0.86 0.00 0.71 1.02 90 N C C 127.66 1.46 20.65 21.28 107.98 -123.92 -87.71 110.65 95.01 4.42 0.57 89.06 3.88 2.24 0.25 0.26 0.00 2.51 1.81 91 L C C 37.29 21.58 9.62 29.46 120.31 -167.83 -98.06 138.51 94.17 5.78 0.04 88.65 5.92 0.08 0.02 0.02 0.00 2.19 3.11 92 P C C 51.52 7.86 16.45 25.93 116.46 -107.28 -65.68 153.61 98.88 0.97 0.15 97.68 1.00 0.41 0.03 0.07 0.00 0.54 0.28 93 S C T 88.28 2.62 16.18 19.98 111.42 -88.83 -63.65 139.82 98.41 0.84 0.75 1.53 7.61 89.35 0.06 0.65 0.00 0.55 0.25 94 G C T 47.58 3.88 17.41 22.23 96.90 25.32 86.15 -4.50 97.95 1.51 0.53 2.91 6.60 88.41 0.03 0.55 0.00 1.38 0.12 95 V C C 24.29 19.69 10.08 29.36 119.56 118.25 -99.71 134.47 66.51 33.37 0.13 61.01 4.09 0.28 0.02 0.11 0.00 33.54 0.95 96 D E E 88.20 4.03 22.84 27.06 115.88 -150.70 -103.57 125.43 18.81 81.14 0.06 18.16 0.57 0.08 0.01 0.03 0.00 80.72 0.42 97 I E E 30.58 22.55 11.53 33.15 123.97 -170.09 -121.37 134.43 8.62 91.37 0.01 8.53 0.13 0.01 0.00 0.00 0.00 91.21 0.11 98 E E E 102.80 4.27 23.01 27.64 122.73 -167.49 -117.36 134.23 3.90 96.09 0.00 3.89 0.06 0.01 0.00 0.00 0.00 95.97 0.07 99 I E E 46.79 19.43 11.44 30.00 120.95 -162.06 -114.95 130.66 5.75 94.24 0.01 5.85 0.08 0.01 0.00 0.00 0.00 93.89 0.17 100 K E E 119.11 3.86 17.77 22.86 122.45 -169.40 -119.45 137.57 15.73 84.25 0.02 15.91 0.16 0.02 0.00 0.01 0.00 83.35 0.55 101 L C C 87.89 10.74 13.05 24.35 114.48 -135.56 -89.69 130.63 97.30 2.69 0.00 97.40 0.07 0.00 0.00 0.00 0.00 2.51 0.02