# 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 53.12 17.08 13.36 29.66 119.73 -157.92 -98.71 135.73 99.85 0.15 0.00 99.83 0.06 0.01 0.00 0.00 0.00 0.10 0.00 1 N E E 101.95 4.00 18.92 23.86 114.67 -147.39 -98.99 122.93 43.58 56.34 0.08 43.04 0.62 0.19 0.02 0.05 0.00 55.02 1.07 2 Y E E 56.04 19.28 10.80 29.00 123.71 -170.60 -119.11 136.39 14.62 85.32 0.06 12.65 1.43 0.15 0.01 0.05 0.00 85.40 0.32 3 N E E 84.99 4.66 22.57 27.61 118.43 -163.26 -113.14 124.69 4.19 95.79 0.02 3.63 0.36 0.04 0.00 0.01 0.00 95.89 0.07 4 I E E 31.36 21.49 12.50 33.29 120.86 -166.45 -113.24 128.96 1.80 98.19 0.01 1.76 0.05 0.00 0.00 0.00 0.00 98.07 0.11 5 R E E 123.00 4.92 22.42 28.19 126.01 -173.36 -127.63 138.32 2.49 97.50 0.01 2.22 0.18 0.02 0.00 0.01 0.00 97.39 0.17 6 G E E 20.39 17.25 11.57 28.01 131.45 164.29 -142.45 150.91 17.95 81.99 0.07 16.14 1.40 0.19 0.01 0.05 0.00 81.57 0.63 7 E C E 116.90 4.60 17.13 22.93 118.49 -142.88 -108.56 140.73 59.86 39.82 0.31 12.48 32.47 15.18 0.02 0.37 0.00 38.54 0.93 8 N C S 128.01 1.99 17.46 19.65 94.98 -4.62 61.08 27.52 93.33 6.45 0.22 6.67 68.43 17.98 0.01 0.25 0.00 6.30 0.36 9 I C C 44.47 15.69 9.88 25.52 127.53 106.74 -120.59 146.08 84.48 15.23 0.29 46.04 37.78 1.90 0.06 0.29 0.00 11.46 2.47 10 E C C 144.23 1.62 20.57 21.47 111.19 -126.96 -86.28 124.40 90.15 9.70 0.15 86.48 3.53 0.55 0.04 0.12 0.00 7.55 1.74 11 V C C 34.18 20.88 8.57 27.62 119.31 -162.46 -105.02 133.69 94.90 5.03 0.07 93.87 1.87 0.06 0.04 0.02 0.00 2.40 1.74 12 T C C 56.35 5.36 15.95 22.71 118.73 -128.07 -77.54 158.35 99.87 0.10 0.03 99.67 0.23 0.02 0.02 0.00 0.00 0.03 0.03 13 P H H 106.09 1.84 15.79 17.95 91.13 -109.48 -58.58 -37.74 1.95 0.00 98.04 0.24 0.18 1.28 97.81 0.49 0.00 0.00 0.00 14 A H H 58.92 3.49 16.74 20.90 91.60 54.05 -64.02 -38.76 0.97 0.00 99.03 0.10 0.06 0.68 98.57 0.59 0.00 0.00 0.00 15 L H H 18.97 18.84 13.37 32.14 92.09 49.59 -65.67 -41.09 0.23 0.00 99.77 0.03 0.01 0.13 99.46 0.36 0.00 0.00 0.00 16 K H H 79.43 12.46 16.95 29.53 91.25 52.69 -61.81 -42.10 0.10 0.00 99.90 0.01 0.00 0.05 99.87 0.06 0.00 0.00 0.00 17 D H H 86.09 1.65 22.65 22.00 91.45 49.78 -64.08 -41.11 0.18 0.00 99.82 0.02 0.01 0.11 99.85 0.03 0.00 0.00 0.00 18 H H H 58.19 8.78 20.01 29.91 91.88 49.69 -64.37 -42.48 0.19 0.00 99.81 0.02 0.01 0.12 99.84 0.02 0.00 0.00 0.00 19 V H H 4.89 23.80 15.15 39.16 91.58 49.28 -64.07 -43.15 0.21 0.00 99.79 0.03 0.01 0.13 99.81 0.02 0.00 0.00 0.00 20 E H H 89.34 8.39 20.70 29.55 91.43 51.34 -62.99 -41.38 0.25 0.00 99.75 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 21 R H H 146.02 1.67 23.32 23.21 91.84 49.47 -64.49 -41.42 0.64 0.00 99.36 0.06 0.03 0.45 99.36 0.10 0.00 0.00 0.00 22 K H H 54.69 13.61 19.76 33.34 92.26 48.51 -65.80 -41.19 1.59 0.00 98.41 0.13 0.08 1.20 98.35 0.24 0.00 0.00 0.00 23 I H H 15.39 20.96 16.44 37.10 91.76 50.61 -63.96 -41.30 3.45 0.01 96.54 0.45 0.28 2.40 95.66 1.20 0.00 0.00 0.00 24 G H H 33.57 4.03 21.51 25.79 91.36 53.18 -62.47 -40.46 11.06 0.03 88.91 1.39 0.72 8.28 83.99 5.57 0.01 0.01 0.02 25 K H H 98.34 4.64 21.32 26.04 91.99 50.99 -66.01 -39.25 18.03 0.10 81.87 2.27 1.48 13.45 73.11 9.56 0.03 0.05 0.05 26 L H H 14.26 20.35 14.85 35.23 92.37 52.13 -65.52 -39.46 11.70 0.13 88.17 2.90 1.41 6.76 70.79 17.99 0.02 0.08 0.05 27 E H H 81.51 11.37 16.47 28.25 91.29 59.05 -63.17 -32.80 13.78 0.19 86.03 3.42 1.43 7.79 62.33 24.82 0.02 0.11 0.07 28 R H H 157.90 1.83 19.34 20.65 92.39 56.03 -68.23 -30.72 24.25 0.18 75.57 2.69 1.94 17.84 52.52 24.76 0.05 0.10 0.09 29 Y H H 90.95 10.29 15.79 26.73 97.25 47.66 -84.46 -25.33 30.40 0.30 69.30 3.83 3.63 21.75 51.38 18.99 0.09 0.15 0.18 30 F C C 49.09 17.00 10.68 26.97 110.09 58.25 -97.55 94.58 62.79 2.96 34.25 28.76 20.15 15.75 27.80 4.48 0.08 0.98 2.01 31 D C C 104.60 3.57 15.37 20.07 104.05 -157.38 -86.45 27.73 87.45 1.22 11.34 52.46 13.20 21.59 8.23 3.27 0.00 0.59 0.66 32 H C S 123.97 5.28 13.34 19.96 107.70 80.28 -89.91 28.58 92.34 0.98 6.68 25.59 45.08 22.32 2.79 3.20 0.00 0.43 0.60 33 S C C 69.61 4.74 15.50 21.37 109.97 41.43 -89.18 106.84 95.46 1.15 3.40 54.71 25.43 15.34 0.94 2.49 0.00 0.61 0.49 34 V C C 57.73 14.32 11.26 25.34 109.68 -157.79 -91.22 101.58 91.89 3.47 4.65 54.66 19.56 17.64 0.79 4.08 0.00 2.49 0.77 35 D C C 102.84 3.51 20.00 23.97 103.81 -142.01 -91.07 64.52 84.91 11.15 3.94 54.39 13.35 16.69 0.60 3.49 0.00 10.67 0.81 36 A C C 19.97 17.92 12.42 30.18 125.24 140.20 -109.31 145.63 63.37 35.59 1.04 48.12 12.64 1.95 0.17 0.84 0.00 35.51 0.77 37 D E E 80.18 5.69 24.00 29.94 116.70 -136.65 -100.56 128.22 18.87 80.96 0.17 16.70 1.72 0.26 0.03 0.10 0.00 80.78 0.40 38 V E E 9.59 24.53 13.75 38.35 125.24 -170.85 -123.00 135.85 3.51 96.49 0.01 3.20 0.13 0.01 0.00 0.00 0.00 96.59 0.06 39 N E E 61.39 7.10 26.49 34.10 117.88 -160.92 -110.87 125.68 0.80 99.20 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.24 0.01 40 V E E 8.03 25.11 15.68 41.17 122.44 -168.02 -119.87 130.09 0.31 99.69 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 41 N E E 50.87 7.85 26.98 35.62 119.34 -168.37 -116.41 129.34 0.21 99.79 0.00 0.18 0.01 0.00 0.00 0.00 0.00 99.81 0.00 42 L E E 13.49 24.15 15.66 39.83 121.71 -166.44 -116.24 130.49 0.39 99.61 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 43 K E E 82.93 6.96 24.67 32.04 126.94 -174.62 -127.25 138.76 0.52 99.47 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.51 0.01 44 F E E 65.30 14.66 13.66 28.76 113.86 -141.15 -98.25 123.71 3.03 96.95 0.02 2.70 0.19 0.02 0.00 0.01 0.00 96.95 0.12 45 Y E E 105.43 6.77 13.70 22.03 107.98 -174.20 -102.87 -19.02 38.13 61.47 0.40 31.69 4.25 1.12 0.06 0.33 0.00 62.05 0.50 46 N C T 113.17 1.85 14.64 16.48 110.50 -15.57 -112.44 103.43 83.81 12.31 3.88 13.48 20.62 49.15 0.23 4.01 0.00 11.81 0.71 47 D C T 115.77 3.00 12.45 16.73 96.80 -57.75 -8.42 5.12 96.18 0.45 3.37 10.09 20.94 64.49 0.23 3.81 0.00 0.30 0.15 48 K C T 134.66 4.24 14.19 19.49 101.16 40.09 -97.96 -4.84 91.72 5.19 3.09 17.24 32.74 42.01 0.22 3.11 0.00 4.11 0.57 49 E E E 78.55 8.16 16.54 25.97 123.74 71.17 -115.53 138.63 41.58 58.18 0.24 33.36 4.89 1.53 0.03 0.21 0.00 59.50 0.48 50 S E E 13.26 18.14 14.63 33.31 128.79 -172.89 -127.51 147.96 8.86 91.11 0.03 7.72 0.62 0.08 0.01 0.02 0.00 91.46 0.09 51 K E E 67.53 10.18 24.36 35.07 128.08 -159.49 -128.32 140.83 1.22 98.77 0.00 1.09 0.05 0.00 0.00 0.00 0.00 98.84 0.02 52 V E E 5.29 24.21 16.98 41.79 124.27 -167.05 -122.43 135.23 0.31 99.69 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 53 E E E 64.59 8.91 26.45 35.97 117.48 -159.06 -108.01 126.67 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 54 V E E 5.12 24.56 16.73 41.84 123.62 -172.33 -122.22 134.26 0.25 99.75 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 55 T E E 39.68 8.84 25.87 35.62 117.77 -161.40 -112.56 125.50 0.27 99.73 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 56 I E E 11.08 21.42 16.45 38.30 116.17 -169.91 -119.33 119.68 0.67 99.33 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.34 0.01 57 P E E 60.49 6.56 21.83 29.00 112.89 -147.64 -83.33 129.74 5.43 94.55 0.02 4.68 0.50 0.05 0.00 0.01 0.00 94.64 0.13 58 M C C 42.73 13.93 11.18 25.76 129.25 172.18 -127.14 157.91 54.10 45.79 0.11 49.95 2.35 0.28 0.02 0.07 0.00 46.61 0.71 59 T C S 106.06 2.11 14.84 17.56 95.32 -90.58 -61.77 -33.62 98.31 1.14 0.55 7.09 50.34 40.96 0.04 0.52 0.00 0.90 0.15 60 D C S 123.81 1.30 14.36 15.43 99.13 14.84 -95.93 -0.57 98.85 0.64 0.51 6.26 48.66 43.96 0.04 0.51 0.00 0.49 0.10 61 L E E 63.30 8.90 12.97 23.48 136.26 31.39 -144.33 152.71 37.42 62.32 0.26 29.11 6.94 0.95 0.05 0.20 0.00 62.05 0.69 62 A E E 50.72 9.13 16.24 26.72 120.57 -144.38 -114.88 131.74 5.10 94.87 0.02 4.58 0.32 0.03 0.01 0.01 0.00 94.92 0.13 63 L E E 29.31 16.88 15.98 33.45 123.03 -169.06 -119.34 133.87 1.00 98.99 0.01 0.90 0.05 0.01 0.00 0.00 0.00 99.02 0.02 64 R E E 108.16 9.75 21.93 32.29 125.20 -167.02 -121.74 135.95 0.74 99.25 0.01 0.63 0.03 0.00 0.00 0.00 0.00 99.32 0.01 65 S E E 13.88 19.74 16.34 35.98 132.05 -175.28 -134.62 148.89 0.88 99.11 0.01 0.76 0.03 0.00 0.00 0.00 0.00 99.19 0.01 66 E E E 86.98 9.48 23.29 33.31 127.40 -164.64 -129.00 136.86 0.78 99.21 0.00 0.66 0.03 0.00 0.00 0.00 0.00 99.30 0.01 67 V E E 24.91 18.90 16.59 35.31 126.48 -172.78 -127.51 139.49 1.61 98.38 0.00 1.49 0.03 0.00 0.00 0.00 0.00 98.45 0.02 68 H E E 102.38 7.41 21.31 29.79 124.34 -171.18 -125.50 134.93 4.25 95.74 0.01 3.80 0.27 0.01 0.00 0.00 0.00 95.73 0.17 69 N E E 35.57 12.52 14.65 28.60 138.26 153.61 -149.97 163.45 35.49 64.48 0.03 33.37 1.53 0.09 0.01 0.02 0.00 64.11 0.88 70 E C S 151.27 2.04 18.46 20.74 93.13 -118.47 -75.15 -20.67 99.60 0.38 0.01 1.96 97.25 0.53 0.00 0.00 0.00 0.24 0.02 71 D C S 71.29 5.27 20.77 26.47 122.45 40.64 -127.80 127.24 98.64 1.21 0.15 23.45 75.23 0.31 0.10 0.02 0.00 0.33 0.55 72 M H H 33.60 21.12 14.18 34.72 92.62 -137.35 -62.27 -38.00 2.50 0.00 97.49 0.21 0.45 1.80 96.81 0.73 0.00 0.00 0.00 73 Y H H 108.76 9.85 21.31 31.22 91.88 54.48 -63.22 -41.83 1.30 0.00 98.70 0.09 0.10 1.07 98.06 0.67 0.00 0.00 0.00 74 N H H 68.60 3.91 23.99 27.62 91.57 49.14 -65.04 -40.47 0.45 0.00 99.54 0.07 0.03 0.30 98.94 0.66 0.00 0.00 0.00 75 A H H 5.19 19.85 17.95 38.56 91.23 51.42 -62.85 -43.38 0.16 0.00 99.84 0.02 0.01 0.08 99.80 0.08 0.00 0.00 0.00 76 I H H 9.03 23.32 20.60 43.32 91.68 49.18 -64.05 -43.05 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 77 D H H 75.04 5.42 26.17 31.90 91.54 50.62 -63.57 -41.52 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 78 L H H 55.71 7.52 24.87 33.06 91.71 49.47 -64.68 -42.05 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 79 A H H 2.33 24.26 19.59 44.08 91.48 49.69 -63.91 -43.42 0.13 0.00 99.87 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 80 T H H 22.10 18.18 21.82 39.30 91.40 50.72 -62.59 -42.74 0.18 0.00 99.81 0.02 0.01 0.11 99.86 0.02 0.00 0.00 0.00 81 N H H 85.49 2.71 26.23 27.94 91.38 49.92 -64.01 -41.94 0.29 0.00 99.71 0.03 0.01 0.17 99.77 0.02 0.00 0.00 0.00 82 K H H 71.35 8.90 23.27 32.50 91.79 48.89 -64.99 -41.41 0.29 0.00 99.71 0.03 0.01 0.17 99.76 0.03 0.00 0.00 0.00 83 L H H 4.26 24.43 16.90 41.64 91.34 49.69 -63.90 -42.82 0.30 0.00 99.70 0.04 0.01 0.17 99.73 0.04 0.00 0.00 0.00 84 E H H 76.01 11.25 21.45 32.59 91.34 51.48 -62.21 -41.90 0.48 0.00 99.52 0.08 0.03 0.27 99.55 0.07 0.00 0.00 0.00 85 R H H 129.48 1.94 24.10 24.11 91.70 49.62 -64.53 -41.53 0.75 0.00 99.25 0.11 0.05 0.45 99.28 0.12 0.00 0.00 0.00 86 Q H H 49.00 10.15 19.74 30.93 91.98 49.33 -65.16 -41.10 1.14 0.00 98.85 0.20 0.09 0.66 98.87 0.17 0.00 0.00 0.00 87 I H H 16.27 19.45 15.18 34.73 92.07 50.13 -64.65 -41.87 1.99 0.01 97.99 0.46 0.18 1.11 97.87 0.36 0.00 0.00 0.00 88 R H H 128.57 3.96 19.81 24.29 91.58 51.07 -64.06 -40.29 4.84 0.03 95.13 1.19 0.47 2.86 94.73 0.72 0.00 0.01 0.01 89 K H H 120.78 2.19 19.70 21.04 92.50 50.15 -66.59 -38.80 11.13 0.06 88.81 2.15 1.14 7.39 88.20 1.06 0.01 0.02 0.03 90 H H H 61.40 11.12 15.19 27.20 94.04 49.17 -69.80 -36.66 18.12 0.16 81.72 6.42 2.94 8.61 80.42 1.46 0.01 0.06 0.08 91 K H H 93.63 8.78 15.58 25.17 94.05 55.04 -67.27 -36.12 24.06 0.36 75.57 12.79 3.88 7.28 73.74 2.01 0.01 0.16 0.14 92 T H H 73.48 3.16 16.09 19.60 95.42 53.08 -68.68 -39.28 29.53 0.47 70.00 17.04 4.12 8.10 68.09 2.26 0.01 0.22 0.17 93 K H H 113.62 3.39 16.01 19.88 94.68 51.04 -68.31 -37.91 26.12 0.48 73.40 14.71 4.78 6.84 70.97 2.29 0.01 0.21 0.18 94 V H H 63.55 6.86 13.78 22.08 95.45 49.38 -69.73 -39.29 26.88 0.46 72.67 14.66 4.86 7.03 71.28 1.80 0.01 0.19 0.17 95 N H H 75.13 4.79 14.26 20.39 94.88 51.44 -68.45 -37.06 29.94 0.29 69.77 19.24 3.66 6.32 68.92 1.63 0.00 0.12 0.11 96 R H H 128.08 2.54 14.49 17.51 93.24 53.84 -65.57 -40.32 11.80 0.14 88.06 6.14 1.95 4.05 85.39 2.34 0.00 0.07 0.05 97 K H H 109.35 2.71 14.19 17.56 92.82 51.28 -66.01 -40.47 8.92 0.14 90.94 4.02 1.42 3.76 87.97 2.68 0.01 0.08 0.05 98 F H H 99.49 3.86 12.24 17.70 92.83 50.36 -66.15 -39.97 8.49 0.19 91.32 3.96 1.42 3.50 88.04 2.90 0.01 0.12 0.06 99 R H H 135.46 2.29 12.18 15.40 92.90 51.41 -66.34 -38.57 10.21 0.22 89.57 4.94 1.72 3.97 86.76 2.42 0.01 0.12 0.07 100 E H H 124.63 1.68 11.58 13.77 93.43 51.63 -68.43 -36.30 15.77 0.22 84.02 6.52 2.50 6.90 81.56 2.31 0.01 0.11 0.09 101 Q H H 124.47 2.01 10.40 13.42 95.12 52.38 -72.58 -29.35 27.01 0.21 72.77 9.36 3.90 13.63 70.96 1.93 0.01 0.08 0.12 102 E C H 135.31 2.16 9.18 12.69 98.71 57.25 -80.91 -13.21 55.59 0.18 44.23 29.87 1.79 21.73 45.10 1.34 0.00 0.06 0.11 103 S C C 80.31 2.75 10.74 14.92 103.46 79.24 -79.42 11.62 99.92 0.01 0.06 99.63 0.10 0.22 0.04 0.00 0.00 0.01 0.00