# 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 95.99 9.68 16.83 26.81 119.38 -129.52 -91.07 140.63 99.97 0.03 0.00 99.89 0.09 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 46.81 15.02 12.23 27.23 115.52 -106.35 -67.06 149.79 97.32 1.51 1.17 96.28 0.43 1.26 0.34 0.41 0.00 0.92 0.37 2 Q C C 114.82 5.00 17.88 23.96 113.84 -134.59 -88.85 143.26 80.09 16.12 3.80 52.96 22.83 5.01 1.05 2.85 0.01 11.97 3.33 3 E C C 103.60 8.97 17.19 26.87 116.56 -99.60 -87.93 137.57 64.72 30.91 4.36 52.49 8.75 2.95 1.53 3.07 0.01 23.18 8.02 4 V C C 20.48 18.75 11.76 30.47 120.34 -162.32 -116.26 129.54 75.66 20.78 3.56 71.73 2.94 1.34 1.89 1.59 0.00 16.20 4.31 5 S C C 76.41 4.50 19.80 25.28 99.56 -172.72 -100.56 -14.26 94.76 2.72 2.52 51.50 40.78 2.95 1.24 1.06 0.00 1.85 0.63 6 D C S 72.13 5.16 21.30 27.05 115.94 72.79 -107.83 119.87 93.10 3.44 3.46 41.33 50.81 1.21 3.03 0.46 0.00 0.90 2.26 7 I H H 29.28 21.45 12.94 33.98 92.69 -147.48 -61.62 -37.43 2.11 0.01 97.88 0.38 0.37 1.24 97.20 0.80 0.00 0.00 0.00 8 K H H 120.05 5.11 20.51 26.70 91.24 56.91 -62.43 -40.04 0.87 0.00 99.13 0.10 0.07 0.63 98.25 0.96 0.00 0.00 0.00 9 K H H 92.67 5.88 21.91 28.13 91.83 49.94 -66.11 -39.66 0.31 0.00 99.68 0.05 0.02 0.20 98.70 1.03 0.00 0.00 0.00 10 F H H 5.02 24.75 16.49 41.56 91.38 51.67 -63.06 -43.87 0.12 0.00 99.88 0.02 0.01 0.07 99.73 0.17 0.00 0.00 0.00 11 I H H 24.57 18.23 20.56 38.36 91.47 50.24 -63.47 -42.50 0.12 0.00 99.88 0.01 0.00 0.08 99.62 0.28 0.00 0.00 0.00 12 E H H 103.21 2.98 25.44 27.63 91.65 50.97 -63.92 -41.85 0.30 0.00 99.70 0.02 0.01 0.24 99.29 0.45 0.00 0.00 0.00 13 I H H 24.37 14.43 20.08 35.24 91.87 49.68 -65.36 -40.80 1.37 0.00 98.63 0.04 0.04 1.29 97.84 0.79 0.00 0.00 0.00 14 C H H 5.27 24.11 14.79 39.09 91.62 55.32 -70.55 -26.30 24.58 0.05 75.37 1.17 1.07 22.53 73.41 1.75 0.03 0.02 0.04 15 R C T 130.73 7.92 20.48 28.91 92.91 62.38 -79.35 -11.95 77.54 0.18 22.28 7.41 4.30 64.95 20.52 2.59 0.00 0.07 0.15 16 R C S 98.26 9.12 14.02 24.64 113.44 98.45 -76.04 138.15 95.83 1.55 2.61 19.72 72.61 2.95 2.22 0.41 0.00 0.36 1.73 17 K C T 159.22 2.20 16.25 19.46 92.74 -128.61 -64.70 -28.09 97.75 0.29 1.96 0.71 4.98 92.43 0.35 1.18 0.01 0.15 0.21 18 D C T 97.68 4.55 17.95 23.21 95.25 51.91 -88.33 1.67 99.22 0.09 0.69 1.28 3.70 94.29 0.09 0.54 0.00 0.05 0.04 19 A C C 12.47 21.97 9.36 30.42 114.59 118.01 -76.70 135.02 82.52 15.75 1.73 78.57 3.63 0.82 0.30 1.48 0.00 14.23 0.97 20 S C C 66.38 4.72 22.94 28.13 100.76 -174.86 -96.67 -25.22 71.83 27.24 0.93 43.82 25.71 2.36 0.16 0.81 0.00 26.48 0.64 21 S E E 35.44 8.65 24.52 34.02 142.66 1.01 -159.47 158.12 14.56 84.62 0.81 9.71 3.47 1.34 0.14 0.62 0.00 84.36 0.35 22 A E E 11.16 24.55 14.95 39.55 132.55 -167.30 -141.65 145.08 6.14 93.63 0.24 5.27 0.68 0.18 0.06 0.15 0.00 93.53 0.13 23 R E E 91.01 8.39 26.53 35.64 126.28 -167.45 -127.21 138.70 1.94 97.87 0.19 1.60 0.20 0.11 0.08 0.09 0.00 97.85 0.07 24 I E E 29.63 21.49 16.69 38.16 118.64 -149.40 -106.08 129.64 2.36 97.50 0.13 2.02 0.18 0.07 0.06 0.06 0.00 97.55 0.07 25 K E E 73.30 8.95 21.97 31.53 126.65 -172.25 -124.76 145.29 4.53 95.35 0.12 3.88 0.37 0.10 0.04 0.06 0.00 95.35 0.20 26 K E E 96.22 11.21 14.96 26.78 119.66 -140.36 -104.87 134.61 15.29 84.59 0.12 13.49 1.46 0.19 0.03 0.09 0.00 83.96 0.79 27 N C C 45.04 9.40 11.02 22.56 109.17 -137.73 -93.15 115.15 71.56 28.27 0.18 67.44 2.51 0.40 0.04 0.12 0.00 28.78 0.70 28 P C T 107.86 2.30 11.73 15.63 93.45 -154.83 -65.40 -27.80 91.27 1.30 7.43 9.49 18.07 62.95 0.49 7.72 0.00 0.91 0.37 29 K C T 171.81 0.47 12.53 11.25 95.73 48.42 -77.49 -32.26 91.63 0.87 7.50 8.47 17.28 65.06 0.50 7.79 0.00 0.55 0.34 30 T C T 73.29 4.50 10.90 16.82 105.92 27.92 -106.19 -0.54 92.39 1.16 6.45 19.48 24.09 48.00 0.44 6.88 0.00 0.72 0.38 31 Q C T 125.35 4.41 14.14 20.08 94.96 -126.06 45.71 32.56 97.27 1.78 0.95 24.92 25.54 46.77 0.09 1.00 0.00 1.43 0.25 32 Q C E 63.39 8.80 16.26 26.59 125.52 125.44 -107.60 145.70 51.06 48.63 0.31 35.84 13.06 2.45 0.04 0.31 0.00 47.22 1.08 33 I E E 22.43 17.40 15.82 34.21 118.97 -139.11 -104.64 132.62 9.21 90.78 0.01 8.45 0.37 0.02 0.00 0.00 0.00 91.01 0.14 34 K E E 49.11 11.83 22.95 35.45 125.75 -166.82 -121.63 140.22 0.75 99.25 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.32 0.01 35 F E E 10.84 23.05 18.04 41.25 126.73 -164.92 -126.30 140.69 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 36 K E E 58.98 10.74 25.74 37.08 119.05 -157.73 -110.29 127.94 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 37 V E E 4.98 24.13 17.47 42.30 121.93 -166.88 -116.95 132.88 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 38 R E E 86.05 8.51 23.62 32.64 118.23 -159.35 -109.50 128.40 2.07 97.93 0.00 1.83 0.11 0.01 0.00 0.00 0.00 97.96 0.10 39 C C C 18.58 16.60 12.92 29.83 130.07 172.19 -124.85 170.66 75.49 24.47 0.04 72.09 1.92 0.14 0.01 0.03 0.00 25.41 0.41 40 Q C S 131.12 2.77 17.23 20.52 95.18 -87.00 -63.79 -34.17 99.53 0.34 0.13 2.27 84.72 12.62 0.01 0.10 0.00 0.23 0.05 41 R C S 160.26 2.87 16.57 20.02 103.34 12.37 -104.56 -12.74 99.42 0.45 0.13 2.08 84.00 13.43 0.01 0.11 0.00 0.32 0.06 42 F E E 74.16 9.48 16.49 27.29 137.63 23.32 -145.14 152.66 36.39 63.57 0.04 30.29 4.49 0.25 0.00 0.04 0.00 64.45 0.48 43 L E E 49.97 14.44 17.61 32.50 118.96 -137.49 -108.17 130.18 2.03 97.97 0.00 1.90 0.06 0.00 0.00 0.00 0.00 97.93 0.10 44 Y E E 28.59 17.17 20.25 37.82 127.75 -172.29 -123.70 144.60 0.64 99.36 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.41 0.00 45 T E E 27.84 15.32 23.28 38.73 122.18 -154.84 -112.82 133.17 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 46 L E E 8.57 22.72 20.84 43.54 121.34 -161.06 -111.96 131.37 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 47 V E E 36.17 11.81 25.44 38.04 118.15 -155.73 -107.33 126.19 0.31 99.69 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.69 0.01 48 L E E 11.75 21.54 13.82 35.64 119.26 -161.87 -106.06 131.82 17.44 82.55 0.01 17.59 0.24 0.01 0.00 0.00 0.00 81.68 0.47 49 K C S 138.44 3.48 20.30 24.66 96.42 -163.42 -83.56 -20.47 98.55 1.42 0.02 14.21 83.95 0.55 0.00 0.01 0.00 1.22 0.06 50 D C C 72.42 4.95 18.24 24.15 112.08 62.06 -112.59 110.39 99.20 0.39 0.41 64.45 33.60 1.22 0.27 0.12 0.00 0.14 0.21 51 S H H 54.10 11.95 12.67 25.33 93.19 -158.04 -63.36 -35.31 4.56 0.01 95.43 0.84 0.76 2.79 92.75 2.84 0.00 0.00 0.01 52 D H H 107.56 1.14 20.56 19.68 91.72 55.38 -64.03 -40.48 2.77 0.01 97.23 0.24 0.26 2.14 94.23 3.10 0.01 0.00 0.00 53 K H H 79.23 7.73 18.55 27.24 92.00 48.26 -66.24 -39.31 1.64 0.00 98.35 0.23 0.15 1.15 95.36 3.10 0.01 0.00 0.00 54 A H H 4.06 22.88 11.94 35.08 91.16 52.10 -62.88 -42.89 0.93 0.00 99.07 0.22 0.10 0.53 98.38 0.77 0.00 0.00 0.00 55 E H H 96.99 4.59 21.90 26.73 91.37 51.13 -63.62 -41.27 0.66 0.00 99.34 0.06 0.02 0.50 98.43 0.98 0.00 0.00 0.00 56 K H H 113.60 2.21 22.93 23.71 91.50 50.47 -64.18 -41.90 0.59 0.00 99.41 0.04 0.02 0.44 97.39 2.10 0.00 0.00 0.00 57 L H H 11.13 20.25 15.42 35.98 91.69 50.03 -64.15 -42.22 0.52 0.00 99.48 0.04 0.02 0.38 97.19 2.38 0.00 0.00 0.00 58 K H H 71.43 16.52 16.75 32.41 90.98 53.86 -62.15 -38.80 1.99 0.00 98.00 0.12 0.08 1.64 94.38 3.77 0.00 0.00 0.00 59 Q H H 139.29 1.28 20.74 20.68 91.03 54.95 -69.47 -24.54 31.61 0.01 68.38 0.29 0.48 32.56 63.28 3.36 0.01 0.00 0.01 60 S C T 63.50 6.13 18.02 25.04 94.46 52.91 -90.02 -7.23 63.87 0.03 36.10 0.93 1.67 61.25 33.12 2.99 0.00 0.01 0.03 61 L C S 18.30 22.94 8.69 30.41 118.76 103.77 -78.36 142.40 99.68 0.24 0.08 13.07 86.52 0.14 0.05 0.01 0.00 0.04 0.17 62 P C C 47.03 7.37 16.74 26.00 114.70 -104.81 -64.47 148.93 99.91 0.07 0.03 99.13 0.67 0.13 0.01 0.01 0.00 0.02 0.04 63 P C T 99.98 5.10 14.03 20.56 94.34 -105.55 -61.38 -25.71 99.52 0.07 0.41 0.93 4.32 94.29 0.03 0.36 0.00 0.04 0.03 64 N C T 128.68 1.37 17.08 18.05 93.94 50.12 -82.58 1.23 99.38 0.14 0.48 1.04 3.81 94.52 0.03 0.49 0.00 0.09 0.02 65 L C C 31.70 19.21 8.48 26.65 118.63 109.40 -87.51 139.79 89.31 10.41 0.28 59.36 29.21 0.85 0.03 0.28 0.00 9.74 0.53 66 Q E E 118.98 2.55 22.41 24.57 113.68 -132.64 -90.18 128.33 21.81 78.03 0.16 20.91 0.72 0.18 0.03 0.12 0.00 77.62 0.42 67 I E E 48.55 20.96 10.66 30.31 122.05 -161.62 -113.15 133.15 5.41 94.58 0.01 5.30 0.17 0.01 0.00 0.00 0.00 94.32 0.18 68 K E E 106.83 4.69 20.77 26.23 123.51 -172.07 -121.30 138.34 1.87 98.13 0.00 1.83 0.05 0.00 0.00 0.00 0.00 97.95 0.16 69 D E E 86.81 9.18 15.78 26.11 114.78 -127.13 -87.78 128.08 6.96 93.03 0.01 6.91 0.20 0.01 0.00 0.00 0.00 92.49 0.38 70 V C C 40.72 14.18 11.95 26.84 117.79 -160.73 -107.39 130.51 74.79 24.75 0.46 70.52 2.41 0.44 0.12 0.29 0.00 25.58 0.65 71 P C C 79.21 4.34 17.08 22.16 114.22 -115.50 -69.66 149.71 86.74 9.43 3.83 69.40 12.56 4.50 1.13 2.60 0.00 8.79 1.01 72 K C C 116.59 8.83 11.61 21.33 108.00 -112.46 -80.00 124.13 82.79 3.92 13.29 58.70 16.16 7.95 6.17 7.13 0.00 2.26 1.62 73 R C C 147.18 4.35 12.47 18.38 104.68 -148.39 -82.99 29.98 72.44 2.27 25.29 42.29 17.59 12.98 12.95 11.88 0.01 1.13 1.16 74 N C C 97.28 4.62 11.62 17.68 103.46 54.95 -85.31 47.96 70.78 1.99 27.23 44.94 13.35 12.39 14.21 13.12 0.00 1.02 0.97 75 K C C 114.82 6.62 10.45 18.44 103.51 133.41 -81.10 9.86 65.32 2.15 32.54 41.94 11.63 11.63 17.80 14.85 0.01 1.08 1.05 76 R C C 146.42 4.16 10.84 16.62 104.08 96.56 -83.60 8.19 65.79 2.22 32.00 39.76 13.23 12.97 17.46 14.36 0.01 1.09 1.12 77 K C C 137.61 3.55 10.38 15.57 105.61 67.58 -84.03 41.95 69.38 2.27 28.34 39.16 15.08 15.52 13.81 14.17 0.01 1.16 1.10 78 S C C 78.23 3.80 9.02 14.58 108.68 74.46 -88.60 110.18 76.12 3.38 20.50 44.70 15.17 16.82 8.63 11.30 0.01 1.90 1.47 79 S C C 84.32 2.64 8.72 13.16 110.41 -154.99 -92.46 116.87 85.61 3.66 10.73 73.63 2.99 10.04 5.18 4.22 0.00 2.10 1.84 80 A C C 81.37 3.43 10.46 15.58 108.50 -132.34 -82.66 110.42 99.91 0.07 0.02 99.82 0.08 0.04 0.01 0.00 0.00 0.04 0.01