# 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 102.96 7.81 13.12 22.02 114.75 -158.47 -93.52 131.55 99.90 0.10 0.01 99.86 0.06 0.02 0.00 0.00 0.00 0.05 0.01 1 Q C C 117.42 4.52 13.09 19.31 116.23 -157.42 -96.76 134.00 93.62 4.56 1.83 85.85 1.74 6.32 0.45 0.99 0.00 3.77 0.87 2 N C C 100.91 6.12 13.95 21.21 105.78 -127.20 -78.97 88.10 88.14 9.97 1.89 53.47 20.71 13.50 0.19 2.01 0.00 9.38 0.75 3 Q C C 64.31 12.03 13.90 26.66 119.42 143.67 -105.14 140.76 66.39 32.27 1.33 48.34 13.62 3.27 0.15 1.28 0.00 32.63 0.70 4 R E E 102.80 9.51 19.97 29.96 124.30 -157.21 -113.37 139.43 23.51 76.31 0.18 20.97 2.09 0.23 0.04 0.12 0.00 76.01 0.55 5 I E E 11.96 22.35 15.80 38.37 122.84 -162.32 -118.51 133.58 3.78 96.21 0.01 3.65 0.13 0.01 0.00 0.00 0.00 96.11 0.10 6 R E E 87.27 9.30 24.72 34.36 118.07 -158.40 -110.88 126.70 1.16 98.84 0.00 1.09 0.04 0.00 0.00 0.00 0.00 98.86 0.01 7 I E E 7.55 24.17 17.16 41.82 120.52 -166.86 -115.17 128.45 0.54 99.46 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.45 0.01 8 R E E 88.02 9.07 26.27 35.76 117.09 -161.77 -108.64 124.60 0.48 99.52 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.52 0.01 9 L E E 4.97 25.44 16.80 42.92 124.97 -171.66 -118.67 138.09 1.19 98.81 0.00 1.20 0.02 0.00 0.00 0.00 0.00 98.76 0.02 10 K E E 86.53 8.28 26.70 35.53 123.88 -164.52 -117.63 136.39 3.93 96.07 0.01 3.71 0.15 0.01 0.00 0.00 0.00 95.99 0.13 11 A E E 8.48 22.20 13.76 35.84 136.14 171.01 -141.57 158.56 28.72 71.23 0.05 27.88 0.85 0.08 0.01 0.03 0.00 70.09 1.06 12 F C S 117.19 6.20 20.87 27.86 94.47 -134.19 -77.91 -24.60 98.91 1.06 0.03 6.00 92.60 0.54 0.00 0.01 0.00 0.78 0.06 13 D C C 61.54 7.80 18.23 27.22 113.80 56.87 -115.86 107.90 99.00 0.90 0.10 72.75 26.01 0.40 0.05 0.04 0.00 0.38 0.37 14 H H H 96.45 11.84 14.30 26.87 93.12 -164.67 -62.87 -34.72 2.25 0.00 97.74 0.33 0.32 1.41 97.21 0.72 0.00 0.00 0.00 15 R H H 159.24 1.50 21.09 21.49 91.79 55.93 -64.09 -40.28 1.12 0.00 98.88 0.10 0.09 0.86 98.22 0.73 0.00 0.00 0.00 16 L H H 37.31 12.07 18.19 31.27 92.05 48.55 -65.53 -41.24 0.42 0.00 99.57 0.07 0.03 0.26 98.97 0.67 0.00 0.00 0.00 17 I H H 6.86 24.10 14.60 38.81 91.24 51.27 -62.69 -43.48 0.17 0.00 99.83 0.03 0.01 0.08 99.80 0.08 0.00 0.00 0.00 18 D H H 74.59 7.09 23.24 30.59 91.48 50.54 -63.72 -41.87 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 19 Q H H 97.17 3.06 25.71 28.02 91.72 49.28 -64.69 -41.75 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 6.27 20.38 19.97 40.47 91.57 49.59 -63.76 -42.89 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 21 T H H 14.40 20.95 20.78 41.02 91.47 51.04 -63.09 -42.27 0.17 0.00 99.83 0.01 0.00 0.10 99.86 0.01 0.00 0.00 0.00 22 A H H 55.23 4.13 25.82 29.70 91.57 51.22 -63.73 -41.98 0.08 0.00 99.92 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 23 E H H 71.68 8.89 24.66 33.84 91.61 49.49 -64.97 -42.16 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 2.51 26.41 19.78 46.42 91.29 49.15 -63.73 -43.76 0.15 0.00 99.85 0.01 0.01 0.09 99.88 0.02 0.00 0.00 0.00 25 V H H 32.75 15.89 22.04 37.53 91.39 49.86 -62.95 -42.89 0.21 0.00 99.79 0.02 0.01 0.11 99.84 0.01 0.00 0.00 0.00 26 E H H 104.34 2.33 26.36 27.15 91.53 50.02 -63.70 -42.06 0.44 0.00 99.56 0.08 0.02 0.22 99.64 0.03 0.00 0.00 0.00 27 T H H 19.14 13.73 20.63 35.23 91.94 49.56 -64.50 -42.32 0.73 0.00 99.26 0.06 0.04 0.49 99.31 0.09 0.00 0.00 0.00 28 A H H 4.02 23.71 14.43 38.34 91.36 51.24 -63.45 -42.02 1.25 0.00 98.74 0.17 0.09 0.81 98.61 0.32 0.00 0.00 0.00 29 K H H 130.71 4.53 19.42 25.25 91.35 50.64 -63.18 -39.96 2.37 0.01 97.62 0.30 0.14 1.80 96.52 1.23 0.00 0.01 0.00 30 R H H 159.59 2.44 19.35 21.97 91.06 53.67 -66.35 -29.19 9.51 0.02 90.47 0.30 0.35 9.00 89.29 1.03 0.02 0.01 0.01 31 T C T 44.36 13.62 14.16 28.30 94.46 48.21 -91.63 -0.56 64.71 0.06 35.24 0.51 1.52 61.93 34.68 1.29 0.01 0.02 0.05 32 G C T 52.99 2.09 21.55 22.87 97.38 -104.40 88.03 10.86 99.81 0.02 0.16 3.40 2.01 94.48 0.06 0.04 0.00 0.01 0.00 33 A C C 12.97 22.01 9.62 30.75 120.45 141.78 -84.90 148.05 97.96 2.01 0.02 96.31 1.67 0.09 0.00 0.01 0.00 1.81 0.09 34 Q E E 115.86 3.01 24.41 27.17 111.57 -129.27 -90.40 122.93 27.06 72.86 0.07 26.12 0.92 0.11 0.02 0.05 0.00 71.92 0.87 35 V E E 32.40 22.59 11.19 32.55 119.46 -160.86 -107.97 128.90 8.44 91.52 0.03 8.49 0.21 0.02 0.02 0.01 0.00 88.08 3.17 36 R E E 136.81 4.46 20.35 25.59 115.30 -171.24 -112.30 125.69 25.15 74.81 0.03 20.60 4.15 0.20 0.01 0.03 0.00 74.23 0.79 37 G C E 32.26 5.22 19.98 25.85 132.07 -36.54 111.50 -175.42 53.08 46.91 0.02 20.70 31.19 0.45 0.00 0.02 0.00 47.38 0.26 38 P C C 66.05 12.90 15.71 28.55 115.31 -59.25 -70.70 145.51 60.95 39.03 0.02 53.92 5.13 0.15 0.00 0.02 0.00 40.19 0.59 39 I E E 39.14 15.15 15.39 31.38 118.82 -153.98 -113.34 125.49 23.31 76.68 0.01 21.60 1.13 0.03 0.01 0.01 0.00 70.46 6.75 40 P E E 82.48 5.25 21.94 27.80 114.61 -116.51 -68.28 142.72 35.06 64.93 0.01 34.49 0.84 0.03 0.00 0.01 0.00 61.38 3.24 41 L C C 34.36 21.08 11.41 31.53 116.51 -122.31 -85.53 136.52 91.13 8.86 0.01 89.39 2.31 0.04 0.00 0.01 0.00 7.69 0.55 42 P C C 55.52 7.67 17.97 26.87 114.66 -106.91 -66.41 149.33 94.41 5.52 0.08 89.91 4.19 0.34 0.01 0.06 0.00 5.03 0.45 43 T C C 84.63 8.72 14.16 23.90 111.11 -142.33 -94.26 117.71 72.24 27.52 0.24 56.14 14.37 0.88 0.05 0.25 0.00 27.14 1.17 44 R E E 116.97 6.41 15.30 23.16 125.72 122.51 -119.21 142.88 25.68 74.14 0.18 20.82 4.46 0.39 0.04 0.14 0.00 73.52 0.65 45 K E E 117.30 8.25 13.31 23.24 122.17 -157.62 -115.52 135.56 6.99 92.92 0.09 6.34 0.49 0.08 0.02 0.04 0.00 92.86 0.16 46 E E E 76.29 9.15 14.39 25.08 127.50 -172.29 -126.42 143.37 1.63 98.34 0.02 1.43 0.12 0.02 0.00 0.01 0.00 98.37 0.05 47 R E E 134.44 6.36 15.29 23.52 120.81 -149.46 -111.24 132.94 0.93 99.06 0.01 0.80 0.05 0.01 0.00 0.00 0.00 99.11 0.02 48 F E E 52.09 12.75 13.31 27.38 128.34 -175.12 -127.78 146.74 1.04 98.95 0.01 0.95 0.04 0.01 0.00 0.00 0.00 98.98 0.02 49 T E E 66.03 7.33 17.41 26.08 119.67 -140.80 -108.18 133.09 1.47 98.52 0.01 1.40 0.05 0.01 0.00 0.00 0.00 98.49 0.04 50 V E E 32.62 13.99 13.96 29.19 121.38 -165.07 -117.50 130.67 4.37 95.60 0.03 4.11 0.24 0.03 0.01 0.01 0.00 95.36 0.24 51 L E E 77.84 6.94 16.68 25.10 112.23 -134.11 -86.00 125.69 23.55 76.35 0.09 20.29 2.74 0.27 0.02 0.07 0.00 75.89 0.72 52 I C C 65.16 10.66 12.75 24.58 109.67 -168.85 -98.59 57.78 60.55 39.28 0.17 46.51 12.86 0.84 0.04 0.15 0.00 38.02 1.59 53 S C C 43.68 6.12 13.11 21.07 116.69 -67.37 -108.73 133.50 87.15 12.56 0.29 73.76 11.70 1.30 0.09 0.25 0.00 10.68 2.22 54 P C T 93.54 4.85 11.11 17.75 94.28 -131.46 -65.59 -20.84 93.20 0.64 6.16 4.15 18.46 70.64 0.70 5.38 0.00 0.39 0.27 55 H C T 152.79 1.29 11.65 13.09 97.92 58.18 -84.01 -8.55 92.70 0.91 6.39 4.62 18.53 69.62 0.83 5.45 0.00 0.57 0.38 56 V C S 85.71 4.95 9.21 15.74 107.95 59.31 -96.91 -10.13 80.96 10.37 8.67 23.01 36.51 22.16 1.73 6.55 0.03 5.73 4.30 57 N C C 89.28 4.55 10.72 16.81 111.58 -14.80 -109.47 110.49 85.10 9.21 5.69 61.16 12.74 10.88 1.52 4.50 0.00 6.88 2.33 58 K C T 149.37 3.21 10.74 15.79 96.44 -150.19 -69.21 -18.69 78.28 9.00 12.72 11.44 17.27 50.39 1.37 11.20 0.03 6.80 1.51 59 D C T 117.76 1.36 13.69 15.03 96.61 60.07 -86.69 -2.09 77.92 10.83 11.25 15.23 15.19 48.06 1.13 10.03 0.01 9.28 1.06 60 A C C 41.71 9.43 9.56 20.54 115.15 107.92 -83.56 135.06 78.40 15.71 5.89 61.16 12.13 4.47 0.77 5.43 0.00 14.92 1.13 61 R E E 125.08 7.29 13.29 22.16 126.04 -173.13 -121.63 143.06 41.37 57.76 0.87 35.38 4.49 1.13 0.27 0.62 0.00 56.06 2.05 62 D E E 70.13 9.30 13.42 23.91 122.20 -157.89 -112.25 137.74 20.11 79.74 0.15 17.32 2.26 0.34 0.03 0.10 0.00 79.42 0.52 63 Q E E 99.21 6.90 15.19 23.64 121.86 -158.94 -114.31 136.32 8.18 91.79 0.03 7.20 0.62 0.06 0.01 0.02 0.00 91.95 0.14 64 Y E E 76.56 13.16 12.28 26.13 129.01 -169.15 -126.49 148.77 2.94 97.05 0.01 2.70 0.09 0.01 0.00 0.00 0.00 97.15 0.04 65 E E E 95.52 6.14 17.83 25.23 121.73 -148.44 -113.86 136.84 0.65 99.34 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.39 0.01 66 I E E 57.26 14.47 13.88 28.70 121.48 -157.44 -110.77 133.13 0.72 99.28 0.00 0.67 0.01 0.00 0.00 0.00 0.00 99.31 0.01 67 R E E 91.67 8.97 18.47 28.48 122.67 -167.44 -117.52 134.65 1.12 98.87 0.00 1.03 0.03 0.00 0.00 0.00 0.00 98.92 0.01 68 T E E 51.13 12.59 17.10 30.30 121.33 -155.97 -110.47 133.75 2.61 97.38 0.01 2.28 0.16 0.01 0.00 0.00 0.00 97.51 0.04 69 H E E 43.49 13.78 17.47 32.15 126.02 -173.49 -123.94 140.42 3.89 96.09 0.01 3.42 0.31 0.02 0.00 0.01 0.00 96.17 0.07 70 L E E 66.50 11.31 20.66 32.18 121.04 -148.96 -107.23 136.65 5.98 94.02 0.00 5.52 0.23 0.01 0.00 0.00 0.00 94.17 0.06 71 R E E 37.54 18.62 17.74 36.02 125.95 -166.84 -120.90 138.52 3.41 96.59 0.00 3.15 0.14 0.01 0.00 0.00 0.00 96.65 0.04 72 L E E 43.20 11.15 23.74 35.69 118.48 -152.76 -108.01 128.79 0.83 99.17 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.22 0.02 73 V E E 6.35 23.87 17.81 42.18 120.32 -165.21 -114.18 129.35 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 74 D E E 48.57 9.35 26.24 36.24 115.65 -158.52 -104.72 123.62 0.38 99.62 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.00 75 I E E 11.08 23.00 16.31 39.74 114.83 -159.65 -102.57 122.58 4.71 95.28 0.01 4.61 0.11 0.01 0.00 0.00 0.00 95.03 0.23 76 V E E 52.17 9.28 21.02 31.06 120.61 -166.66 -103.38 144.74 40.74 59.22 0.04 23.45 17.22 0.51 0.01 0.04 0.00 58.22 0.57 77 E C S 126.03 4.18 22.94 27.39 96.58 1.38 57.97 58.31 88.73 11.25 0.02 15.92 71.65 0.65 0.00 0.01 0.00 11.56 0.21 78 P C C 19.68 22.59 9.96 31.61 117.12 -149.78 -69.91 145.71 95.17 4.76 0.08 92.20 3.14 0.21 0.02 0.04 0.00 3.85 0.53 79 T C C 58.93 4.86 20.23 25.34 123.49 -133.74 -86.44 166.23 98.43 1.26 0.31 97.29 1.24 0.15 0.20 0.04 0.00 0.45 0.63 80 E H H 138.04 3.60 15.34 20.68 91.15 -99.71 -59.33 -36.93 2.77 0.00 97.23 0.29 0.46 1.84 96.90 0.51 0.00 0.00 0.00 81 K H H 134.65 1.87 19.07 20.41 91.66 52.62 -64.90 -40.14 1.69 0.00 98.31 0.14 0.14 1.29 97.81 0.61 0.00 0.00 0.00 82 T H H 17.14 17.72 15.46 33.31 92.43 48.55 -65.95 -42.14 0.62 0.00 99.37 0.09 0.05 0.41 98.92 0.53 0.00 0.00 0.00 83 V H H 17.81 18.32 16.05 34.51 91.35 50.68 -62.83 -43.12 0.17 0.00 99.83 0.02 0.01 0.10 99.66 0.21 0.00 0.00 0.00 84 D H H 80.05 2.73 22.68 24.47 91.49 50.46 -63.63 -40.57 0.37 0.00 99.63 0.03 0.02 0.26 99.30 0.40 0.00 0.00 0.00 85 A H H 28.70 8.78 18.76 29.20 91.71 51.57 -64.36 -41.43 0.89 0.00 99.10 0.05 0.03 0.71 98.30 0.90 0.00 0.00 0.00 86 L H H 11.27 23.10 14.48 37.23 92.18 51.90 -66.09 -37.06 2.52 0.01 97.47 0.14 0.12 2.11 95.80 1.83 0.00 0.00 0.00 87 M H H 85.91 11.34 17.37 28.92 91.48 57.54 -68.20 -23.99 27.65 0.08 72.27 1.05 1.03 25.71 69.42 2.66 0.04 0.03 0.05 88 R C T 172.64 1.46 19.81 20.20 94.74 55.88 -84.60 -10.34 62.71 0.20 37.08 3.44 2.66 54.75 35.95 2.97 0.01 0.09 0.12 89 L C C 47.42 16.60 10.53 26.70 116.22 97.83 -81.46 140.45 87.24 2.12 10.64 39.40 37.71 9.58 9.48 1.89 0.02 0.90 1.03 90 D C C 112.32 2.42 20.15 22.82 107.57 -128.83 -86.84 110.20 86.24 7.45 6.31 73.52 4.77 7.47 4.46 1.93 0.00 5.29 2.57 91 L C C 41.47 20.19 10.87 29.49 121.59 -173.21 -108.09 136.23 80.26 15.39 4.35 70.58 6.25 2.26 3.02 1.56 0.00 8.48 7.84 92 A C C 49.08 7.76 17.56 26.22 116.67 -114.88 -72.48 153.52 91.25 5.52 3.24 84.82 3.89 2.75 1.56 1.39 0.00 3.52 2.06 93 A C T 76.24 5.34 15.83 22.66 111.27 -87.92 -64.03 138.84 94.89 2.78 2.33 3.09 8.89 83.33 0.41 1.60 0.00 1.85 0.83 94 G C T 47.98 3.85 18.19 22.99 96.81 22.65 86.44 -4.72 96.52 2.49 0.99 4.43 8.11 84.04 0.11 0.84 0.00 2.24 0.23 95 V C C 26.89 19.13 10.64 29.55 119.76 122.21 -94.27 134.62 62.37 37.47 0.17 56.28 4.55 0.38 0.04 0.13 0.00 37.72 0.90 96 D E E 90.05 4.05 22.77 27.21 114.62 -147.15 -101.24 124.59 14.84 85.09 0.07 14.19 0.51 0.09 0.02 0.03 0.00 84.80 0.36 97 V E E 27.28 22.46 11.59 33.20 125.07 -171.38 -122.34 136.69 6.66 93.33 0.01 6.60 0.12 0.01 0.00 0.00 0.00 93.17 0.10 98 Q E E 99.67 4.24 23.22 27.96 122.49 -167.49 -119.19 135.00 3.24 96.75 0.01 3.22 0.06 0.01 0.00 0.00 0.00 96.64 0.07 99 I E E 45.33 19.72 11.71 30.56 121.61 -161.69 -116.06 130.38 5.26 94.74 0.01 5.34 0.08 0.01 0.00 0.00 0.00 94.41 0.15 100 S E E 60.73 4.50 18.03 23.65 125.24 -173.40 -123.11 145.55 14.05 85.94 0.02 14.16 0.16 0.02 0.01 0.01 0.00 85.11 0.53 101 L C C 86.25 11.28 13.37 25.06 115.02 -137.51 -96.26 127.22 96.98 3.02 0.00 97.04 0.06 0.00 0.00 0.00 0.00 2.87 0.02