# 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 T C C 78.39 7.23 18.21 26.28 120.69 -159.86 -109.93 132.64 99.65 0.35 0.01 99.64 0.09 0.02 0.00 0.00 0.00 0.23 0.01 1 H C C 69.85 13.53 13.29 27.06 122.80 -170.10 -109.71 140.79 70.48 29.21 0.32 68.05 1.57 0.45 0.16 0.13 0.00 27.88 1.76 2 S E E 56.40 6.60 17.13 25.05 127.57 -167.19 -123.86 148.72 21.27 78.49 0.24 18.65 2.44 0.38 0.11 0.15 0.00 75.60 2.67 3 Y E E 52.10 17.69 12.02 29.21 120.33 -170.87 -130.29 121.53 8.01 91.68 0.31 4.19 2.79 1.27 0.16 0.19 0.00 82.05 9.36 4 R C T 133.29 7.77 15.00 24.13 92.66 -14.62 55.38 39.14 99.28 0.30 0.42 0.58 4.42 94.45 0.06 0.25 0.00 0.18 0.07 5 G C T 58.72 2.10 16.25 18.47 95.83 -53.59 82.01 1.18 99.54 0.12 0.35 0.65 5.32 93.67 0.04 0.23 0.00 0.07 0.02 6 V E E 40.44 12.92 10.39 24.41 122.17 110.81 -107.66 139.16 6.37 93.55 0.08 3.42 3.08 0.32 0.07 0.04 0.00 77.96 15.11 7 D E E 74.04 3.50 19.26 22.80 112.47 -118.49 -74.57 136.65 26.29 73.66 0.05 26.09 0.56 0.07 0.02 0.02 0.00 71.51 1.73 8 L H H 42.82 17.83 11.16 28.57 92.63 -133.89 -60.35 -38.13 4.21 0.03 95.76 0.84 0.40 2.77 91.88 4.06 0.01 0.02 0.01 9 E H H 120.13 3.05 18.15 21.75 91.67 55.21 -63.57 -38.82 2.08 0.01 97.91 0.16 0.13 1.70 93.11 4.89 0.01 0.01 0.00 10 K H H 110.15 2.98 19.02 21.88 92.22 48.98 -67.10 -38.39 1.11 0.01 98.88 0.09 0.07 0.88 94.14 4.81 0.00 0.00 0.00 11 L H H 11.40 20.67 12.12 32.73 91.72 53.06 -64.54 -40.93 1.87 0.01 98.12 0.17 0.12 1.40 91.99 6.32 0.00 0.00 0.00 12 L H H 61.51 13.39 15.64 29.32 91.01 55.83 -67.57 -24.45 33.40 0.02 66.57 0.44 0.63 33.97 60.11 4.81 0.01 0.01 0.02 13 E C T 147.63 1.21 19.52 19.24 93.90 55.24 -86.87 -6.23 64.87 0.02 35.11 0.80 1.45 64.11 30.44 3.16 0.00 0.01 0.03 14 M C S 39.07 15.36 9.06 24.64 120.21 103.97 -78.89 148.89 99.17 0.42 0.41 20.50 78.13 0.50 0.35 0.05 0.00 0.08 0.39 15 S C C 58.25 2.47 20.67 21.96 119.28 -106.74 -72.26 159.09 98.91 0.93 0.15 98.76 0.30 0.05 0.10 0.01 0.00 0.18 0.61 16 T H H 59.50 14.47 12.58 26.94 91.59 -106.73 -58.49 -38.86 1.35 0.00 98.64 0.22 0.16 0.80 98.10 0.71 0.00 0.00 0.00 17 E H H 123.70 2.66 18.99 21.81 91.72 53.89 -63.64 -39.86 0.50 0.00 99.49 0.03 0.03 0.38 98.89 0.66 0.00 0.00 0.00 18 D H H 61.19 6.52 18.73 26.23 91.83 48.97 -65.97 -39.67 0.23 0.00 99.77 0.02 0.01 0.16 99.03 0.77 0.00 0.00 0.00 19 F H H 15.87 21.13 14.82 35.94 91.79 51.33 -63.54 -42.41 0.17 0.00 99.83 0.01 0.01 0.12 99.51 0.35 0.00 0.00 0.00 20 V H H 43.20 13.25 19.05 32.54 91.72 50.67 -64.62 -39.06 0.95 0.00 99.05 0.03 0.02 0.90 97.79 1.26 0.00 0.00 0.00 21 K H H 125.61 3.24 23.55 26.66 91.93 51.40 -67.78 -36.14 8.07 0.00 91.93 0.07 0.12 8.82 89.50 1.48 0.00 0.00 0.00 22 L H H 29.05 15.32 19.54 34.97 94.04 49.35 -76.40 -34.27 14.00 0.01 86.00 0.37 0.68 13.30 84.16 1.47 0.01 0.00 0.01 23 A H H 13.27 19.52 19.22 38.50 92.68 61.48 -61.80 -44.00 9.27 0.11 90.62 3.30 1.53 4.45 83.92 6.69 0.01 0.05 0.06 24 P H H 49.65 9.17 22.28 31.86 92.00 50.67 -64.23 -39.70 7.96 0.10 91.94 2.79 0.76 4.13 85.98 6.24 0.01 0.06 0.04 25 A H H 36.23 6.55 22.04 29.55 91.94 51.66 -64.44 -41.48 3.42 0.05 96.53 1.28 0.40 1.67 91.91 4.69 0.01 0.03 0.02 26 R H H 67.77 12.48 20.89 33.43 92.35 49.68 -65.37 -41.00 2.39 0.05 97.56 1.06 0.31 1.07 96.05 1.47 0.00 0.03 0.01 27 V H H 28.38 14.89 17.81 33.23 91.96 50.96 -64.03 -41.75 1.87 0.04 98.09 0.75 0.21 0.88 97.35 0.78 0.00 0.03 0.01 28 R H H 121.06 5.00 20.67 25.82 91.79 50.75 -63.82 -40.87 2.07 0.05 97.89 0.73 0.22 1.05 97.15 0.81 0.01 0.03 0.01 29 R H H 108.78 5.01 19.30 24.86 92.35 50.28 -65.86 -40.28 3.14 0.07 96.79 0.94 0.34 1.79 95.61 1.24 0.01 0.05 0.01 30 R H H 69.28 11.49 14.97 27.32 92.55 50.90 -65.80 -39.38 5.45 0.15 94.40 1.64 0.64 3.13 92.73 1.71 0.02 0.09 0.04 31 F H H 93.75 8.58 14.14 23.76 92.91 51.05 -67.78 -34.17 9.90 0.28 89.81 3.12 1.21 5.67 87.35 2.35 0.04 0.16 0.10 32 A H H 76.93 2.59 14.57 17.94 93.42 56.57 -71.27 -24.85 23.39 0.39 76.21 4.52 2.85 16.27 73.51 2.40 0.07 0.18 0.19 33 R C T 142.71 3.89 12.58 17.80 98.53 55.52 -86.47 1.96 73.11 0.30 26.58 3.65 5.43 61.97 26.07 2.53 0.02 0.12 0.22 34 G C T 55.30 2.38 14.39 17.49 99.13 -103.46 82.45 10.09 92.76 0.24 7.00 12.51 8.12 72.22 5.44 1.45 0.00 0.11 0.14 35 M C C 74.84 11.66 9.35 21.47 112.51 143.64 -86.93 129.33 90.71 1.53 7.76 66.42 14.16 10.05 4.36 3.29 0.00 0.67 1.05 36 T C C 96.77 3.63 15.60 20.48 109.98 -164.54 -96.85 101.08 90.73 1.81 7.46 62.09 16.44 12.15 3.97 3.48 0.00 0.90 0.97 37 S C C 57.39 10.35 14.11 24.94 114.82 -148.56 -95.51 134.81 88.83 1.90 9.26 52.62 29.54 6.71 6.39 2.75 0.00 0.77 1.22 38 K C C 114.86 7.26 18.14 26.28 117.44 -129.74 -89.10 138.47 87.03 1.05 11.91 59.82 22.34 4.19 11.04 1.61 0.00 0.43 0.56 39 P C C 37.85 17.55 14.79 31.49 107.10 -102.49 -68.66 133.92 73.70 1.25 25.05 63.07 3.62 6.35 23.03 2.75 0.00 0.58 0.59 40 A H H 48.13 10.65 18.38 29.32 97.83 -135.52 -69.48 -26.70 43.41 0.73 55.86 29.50 5.25 9.18 51.79 3.60 0.01 0.32 0.34 41 G H H 27.38 6.08 20.75 27.70 95.03 60.83 -61.96 -39.26 23.91 0.47 75.62 14.50 3.43 6.91 71.54 3.19 0.01 0.22 0.20 42 F H H 26.47 17.93 18.10 35.85 92.64 53.36 -65.43 -41.31 6.25 0.13 93.62 3.39 0.91 2.28 91.54 1.77 0.00 0.07 0.04 43 M H H 30.41 18.12 17.97 35.66 91.92 52.04 -63.65 -41.70 1.74 0.03 98.24 0.81 0.22 0.72 97.57 0.66 0.00 0.01 0.01 44 K H H 119.25 2.73 23.93 26.02 91.51 50.81 -63.82 -41.55 0.70 0.00 99.29 0.27 0.07 0.31 99.11 0.24 0.00 0.00 0.00 45 K H H 91.82 7.14 22.19 29.68 91.63 49.22 -65.17 -40.64 0.47 0.00 99.52 0.15 0.04 0.23 99.44 0.14 0.00 0.00 0.00 46 L H H 7.11 23.07 15.53 38.65 91.80 50.49 -64.13 -42.26 0.34 0.00 99.65 0.08 0.02 0.18 99.62 0.09 0.00 0.00 0.00 47 R H H 107.73 8.51 21.55 30.40 91.55 51.45 -62.88 -41.67 0.35 0.00 99.65 0.07 0.02 0.20 99.63 0.08 0.00 0.00 0.00 48 A H H 57.06 2.28 22.93 23.65 91.60 50.18 -64.24 -41.76 0.58 0.00 99.42 0.09 0.04 0.37 99.39 0.12 0.00 0.00 0.00 49 A H H 15.18 13.54 15.80 30.79 91.84 50.68 -64.61 -40.78 0.88 0.00 99.12 0.12 0.05 0.57 98.98 0.27 0.00 0.00 0.00 50 K H H 74.06 15.07 15.29 29.82 91.70 53.21 -63.77 -38.48 2.19 0.00 97.81 0.24 0.13 1.61 97.05 0.96 0.00 0.00 0.00 51 L H H 125.61 1.65 18.78 19.86 92.18 52.63 -69.14 -29.71 10.39 0.02 89.59 0.43 0.52 9.23 88.75 1.03 0.02 0.01 0.01 52 A H H 80.14 2.08 16.89 18.73 95.36 50.65 -88.17 -8.34 34.34 0.09 65.57 1.83 2.81 28.51 65.53 1.19 0.03 0.02 0.07 53 A C S 22.01 17.46 6.51 22.37 119.54 106.20 -76.92 149.47 99.69 0.19 0.12 30.59 68.86 0.24 0.09 0.02 0.00 0.04 0.17 54 P C C 77.16 2.82 14.35 17.88 115.89 -104.11 -65.35 153.98 99.51 0.24 0.25 97.86 1.14 0.53 0.07 0.10 0.00 0.06 0.25 55 E C T 161.70 1.29 11.49 13.70 105.61 -84.31 -62.29 132.69 98.54 0.08 1.38 0.86 5.10 92.56 0.06 1.33 0.00 0.04 0.06 56 N C T 143.20 0.62 12.89 12.44 95.77 19.44 61.80 8.08 98.48 0.07 1.46 1.16 4.84 92.33 0.05 1.56 0.00 0.04 0.02 57 E C C 89.36 7.33 10.01 19.18 120.01 113.25 -94.05 144.49 95.98 2.71 1.32 58.25 35.31 1.56 0.18 1.30 0.00 0.75 2.65 58 K C C 147.39 2.55 17.13 20.74 115.23 -129.82 -92.53 135.77 98.67 1.26 0.07 93.28 5.35 0.19 0.02 0.04 0.00 0.59 0.53 59 P C C 32.72 19.85 10.66 29.67 116.90 -109.19 -66.21 148.48 97.80 2.05 0.15 94.90 2.84 0.34 0.03 0.14 0.00 1.09 0.67 60 A C C 56.63 6.26 21.99 28.48 117.16 -115.08 -78.34 148.87 95.61 4.32 0.07 80.39 15.09 0.32 0.01 0.07 0.00 3.58 0.54 61 P C C 59.88 13.28 18.96 31.98 115.58 -103.01 -68.37 144.10 81.13 18.78 0.09 71.93 7.82 0.32 0.02 0.08 0.00 19.06 0.78 62 V E E 15.65 21.84 15.93 37.88 120.29 -149.78 -108.76 132.39 15.26 84.68 0.06 14.63 0.57 0.06 0.04 0.03 0.00 79.14 5.54 63 R E E 115.28 8.21 24.86 33.74 117.06 -146.72 -98.12 131.47 15.96 83.99 0.05 15.21 0.76 0.07 0.02 0.03 0.00 81.79 2.12 64 T C C 14.52 23.12 14.91 37.53 129.04 -169.15 -126.25 147.29 58.16 41.47 0.37 51.87 4.32 0.70 0.08 0.30 0.00 41.23 1.49 65 H C C 81.85 9.33 23.35 33.06 103.78 -158.70 -98.11 -8.64 77.67 21.00 1.32 46.38 26.97 5.16 0.20 1.29 0.00 18.12 1.87 66 M C C 39.63 18.24 17.59 35.00 110.21 72.43 -97.15 103.81 83.41 10.18 6.41 58.64 15.61 8.49 0.95 6.35 0.00 8.06 1.91 67 R C T 105.35 12.30 19.26 31.37 97.20 120.06 -74.54 -23.84 78.01 7.87 14.12 23.11 19.98 35.88 1.26 12.60 0.01 5.75 1.42 68 N C T 90.16 7.36 22.24 29.94 96.74 46.08 -90.83 15.00 80.21 6.53 13.26 20.39 23.30 37.16 1.00 12.12 0.01 5.09 0.94 69 M C C 25.60 20.60 16.29 36.50 125.00 113.58 -107.74 146.65 73.71 18.20 8.08 56.47 13.10 4.10 1.12 7.18 0.00 16.40 1.62 70 I E E 52.38 12.15 25.34 37.87 116.45 -134.34 -100.38 129.11 37.03 62.13 0.84 31.34 4.14 0.66 0.40 0.56 0.00 51.83 11.07 71 I E E 14.22 23.71 18.42 42.24 115.07 -154.17 -101.14 124.35 34.48 65.42 0.10 32.75 1.58 0.09 0.07 0.05 0.00 46.65 18.81 72 V C C 26.66 14.61 21.98 36.97 117.12 -157.47 -100.02 125.78 98.59 1.39 0.02 98.50 0.46 0.02 0.00 0.00 0.00 0.92 0.09 73 P H G 55.46 13.04 18.43 31.97 91.62 -130.87 -59.31 -32.28 11.16 0.16 88.68 1.55 1.07 7.06 1.64 88.53 0.00 0.14 0.01 74 E H G 110.36 6.56 21.85 29.39 89.86 64.96 -67.34 -18.26 10.03 0.11 89.86 0.43 0.71 8.04 1.21 89.51 0.00 0.09 0.01 75 M H G 9.55 22.83 15.46 38.94 94.05 56.39 -91.59 -6.46 10.01 0.14 89.85 1.19 0.98 6.26 1.09 90.36 0.00 0.09 0.01 76 I C T 56.17 16.06 17.05 33.25 112.25 113.36 -63.65 131.47 96.11 1.20 2.70 0.73 1.66 94.88 0.38 1.20 0.00 0.44 0.72 77 G C T 40.44 5.18 22.85 29.22 94.97 22.79 86.43 -4.83 99.26 0.35 0.39 0.42 2.22 96.81 0.02 0.23 0.00 0.28 0.02 78 S C C 15.95 18.11 17.69 36.19 120.86 127.88 -79.41 152.76 94.53 5.43 0.04 85.69 8.30 0.17 0.00 0.04 0.00 5.61 0.18 79 V E E 39.89 12.65 25.66 38.88 117.73 -130.10 -104.80 129.26 1.38 98.62 0.00 1.40 0.05 0.00 0.00 0.00 0.00 98.23 0.32 80 V E E 2.89 25.96 20.52 47.09 122.30 -168.43 -116.86 133.53 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.81 0.01 81 G E E 6.08 16.60 26.12 43.09 122.09 -149.38 -102.81 142.81 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 82 I E E 8.90 21.99 21.74 43.78 121.11 -156.22 -116.70 130.11 0.36 99.64 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.64 0.01 83 Y E E 42.10 15.22 19.44 35.28 114.64 -158.75 -106.93 121.71 6.56 93.41 0.03 5.40 0.70 0.09 0.01 0.02 0.00 93.60 0.19 84 N E E 62.44 9.49 18.35 29.04 103.62 176.07 -112.00 36.81 40.48 58.58 0.94 21.58 11.81 8.64 0.09 0.98 0.00 56.12 0.78 85 G C T 40.73 7.74 15.72 23.95 100.24 -89.65 75.13 -23.98 98.44 0.45 1.11 2.53 30.40 65.42 0.03 1.23 0.00 0.31 0.09 86 K C T 153.79 1.93 16.31 18.43 102.89 24.64 -102.05 -15.66 98.69 0.48 0.84 2.48 36.19 60.04 0.03 0.85 0.00 0.33 0.08 87 A E E 63.43 3.15 18.29 21.91 131.03 36.65 -132.05 152.72 28.14 71.74 0.12 17.87 10.66 0.92 0.02 0.11 0.00 68.83 1.58 88 F E E 80.45 17.41 11.42 27.86 119.18 -130.84 -99.60 134.80 12.85 87.14 0.01 11.44 0.86 0.08 0.00 0.01 0.00 87.24 0.36 89 N E E 65.41 8.03 20.01 28.91 127.32 -173.41 -127.06 144.39 8.45 91.55 0.01 7.13 0.58 0.04 0.00 0.00 0.00 92.19 0.06 90 Q E E 101.40 9.98 18.12 28.90 117.86 -128.64 -92.70 134.37 2.95 97.05 0.00 2.70 0.09 0.00 0.00 0.00 0.00 97.18 0.02 91 V E E 21.48 18.08 15.55 33.90 127.19 -173.84 -126.27 141.58 0.80 99.20 0.00 0.82 0.01 0.00 0.00 0.00 0.00 99.16 0.01 92 E E E 104.96 5.54 24.56 30.56 115.18 -128.83 -88.05 131.91 0.84 99.16 0.00 0.86 0.01 0.00 0.00 0.00 0.00 99.07 0.06 93 I E E 10.30 24.64 11.26 36.17 115.06 -139.10 -91.83 127.32 25.28 74.71 0.01 25.21 0.27 0.01 0.00 0.00 0.00 73.80 0.69 94 R C C 103.60 4.88 22.98 27.87 129.05 -173.38 -120.24 152.98 99.06 0.87 0.07 98.42 0.83 0.05 0.01 0.03 0.00 0.60 0.06 95 P H G 76.61 10.89 14.30 25.80 91.46 -105.64 -58.14 -32.54 7.82 0.05 92.13 0.48 0.60 5.34 0.75 92.79 0.00 0.04 0.00 96 E H G 140.37 2.07 19.30 21.55 89.64 62.00 -69.21 -17.68 7.10 0.04 92.87 0.29 0.43 5.17 0.70 93.39 0.00 0.02 0.00 97 M H G 27.88 18.25 13.21 31.79 94.62 56.02 -93.44 -5.05 8.50 0.11 91.39 1.28 1.02 4.55 0.91 92.16 0.00 0.07 0.01 98 L C T 57.90 15.82 14.21 30.16 112.86 116.03 -63.56 134.62 94.45 2.96 2.58 6.83 5.30 82.79 0.73 1.49 0.00 1.46 1.41 99 G C T 41.85 6.41 21.03 28.44 95.31 21.64 84.24 -4.07 96.98 1.11 1.91 4.22 7.44 85.46 0.48 1.32 0.00 0.78 0.30 100 H C C 62.88 12.97 17.94 31.25 122.11 125.24 -88.43 153.79 91.90 4.87 3.23 72.56 16.33 2.91 1.59 1.61 0.00 2.40 2.61 101 Y C B 83.57 11.28 21.97 33.21 118.66 -111.77 -84.38 144.13 48.58 42.49 8.93 33.28 6.73 4.29 5.22 3.24 0.07 9.05 38.12 102 L H G 26.74 22.13 15.53 36.77 96.64 -111.25 -63.07 -29.85 44.04 2.85 53.11 6.12 6.30 30.80 14.21 39.29 0.16 2.07 1.04 103 G H G 30.65 11.80 19.50 31.08 93.75 55.48 -63.75 -18.84 40.70 1.23 58.07 4.60 5.17 29.55 16.78 42.52 0.07 0.76 0.55 104 E H G 97.80 7.56 20.12 28.09 94.54 66.57 -72.96 -22.07 38.38 1.96 59.67 10.35 8.50 19.98 17.48 41.62 0.11 1.15 0.82 105 F C C 65.46 15.65 15.19 30.17 101.14 52.06 -91.52 -8.24 56.36 7.74 35.90 21.80 15.96 19.48 15.94 18.81 0.38 3.83 3.80 106 S C C 45.19 12.79 15.52 28.33 110.38 93.67 -92.44 110.15 68.02 11.73 20.25 40.44 16.32 11.59 9.92 10.19 0.09 7.19 4.25 107 I C C 88.19 9.87 14.36 24.85 108.26 -128.35 -92.03 85.10 70.02 15.39 14.59 46.89 13.11 9.99 6.99 7.65 0.05 10.78 4.53 108 T C C 79.99 6.94 14.50 22.50 107.32 93.70 -97.00 39.33 76.92 15.24 7.84 55.16 13.28 8.08 3.58 4.41 0.02 10.94 4.54 109 Y C C 115.56 9.71 11.24 21.72 115.82 113.18 -103.53 131.95 83.94 13.84 2.22 54.05 27.01 3.40 1.04 1.22 0.00 8.66 4.61 110 T C C 95.65 2.99 14.96 19.31 117.93 -149.38 -103.83 132.31 91.42 8.36 0.23 66.12 25.33 0.63 0.09 0.14 0.00 6.41 1.28 111 P C C 79.14 8.58 11.07 20.94 114.00 -108.66 -66.32 145.33 86.21 12.09 1.70 74.68 8.67 2.48 0.64 1.05 0.00 9.16 3.32 112 V C C 82.81 7.67 10.31 19.45 115.75 -130.66 -94.31 135.27 80.87 16.21 2.92 65.63 10.48 3.66 1.18 1.89 0.00 10.70 6.45 113 R C C 168.46 2.53 12.33 16.47 115.66 -144.24 -99.03 128.06 81.44 15.29 3.26 65.34 10.59 4.50 1.19 2.23 0.00 10.48 5.67 114 H C C 127.65 5.84 9.22 16.58 111.75 -140.48 -88.09 125.13 85.10 10.45 4.45 40.95 17.77 27.46 1.01 3.25 0.01 6.75 2.81 115 G C C 55.96 2.74 11.10 15.16 104.67 7.51 83.03 1.11 93.06 3.98 2.97 32.71 29.19 31.59 0.45 2.58 0.00 2.38 1.10 116 R C C 153.46 3.22 9.66 14.75 116.67 121.29 -94.96 137.27 92.89 4.93 2.18 63.27 24.82 4.59 0.58 1.65 0.00 2.40 2.69 117 A C C 84.20 3.33 9.61 14.84 110.74 -108.02 -73.06 141.33 96.65 2.31 1.04 91.79 1.60 3.55 0.35 0.45 0.00 1.24 1.03 118 G C C 51.77 3.60 12.44 17.54 111.32 -6.54 88.53 -14.53 99.90 0.08 0.02 99.65 0.17 0.12 0.01 0.00 0.00 0.04 0.01