# 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 R C C 151.98 4.20 13.17 19.14 115.35 -155.62 -93.37 132.58 99.88 0.11 0.01 99.86 0.06 0.01 0.00 0.00 0.00 0.05 0.01 1 R C C 153.01 4.27 11.02 17.30 114.75 -135.10 -89.71 135.32 87.18 12.27 0.55 87.24 0.74 0.57 0.27 0.15 0.00 5.23 5.80 2 R C C 129.03 7.93 9.91 19.19 116.72 -134.63 -92.61 136.37 90.33 9.31 0.36 81.10 8.23 1.10 0.14 0.24 0.00 5.33 3.88 3 K C C 124.83 4.58 14.39 20.66 118.83 -133.50 -95.85 140.45 95.62 4.28 0.10 84.28 11.20 0.40 0.03 0.07 0.00 3.27 0.76 4 P C C 77.10 8.21 15.06 24.28 114.99 -104.42 -68.65 150.39 94.07 5.28 0.65 83.77 7.45 2.83 0.13 0.55 0.00 4.30 0.96 5 A C C 27.16 19.89 10.69 29.32 116.78 -105.38 -76.18 146.68 85.05 14.18 0.77 76.19 6.60 2.14 0.19 0.65 0.00 11.29 2.95 6 V C C 79.38 5.64 20.67 26.94 119.64 -130.49 -102.04 137.06 71.77 27.81 0.42 65.65 5.05 0.64 0.15 0.29 0.00 24.65 3.58 7 E C C 110.84 9.73 16.60 27.30 112.88 -115.09 -76.08 130.93 66.67 32.91 0.42 59.55 6.00 0.79 0.15 0.28 0.00 29.17 4.06 8 R C C 65.50 12.51 16.36 29.76 134.58 172.71 -138.81 155.19 85.04 14.79 0.17 77.27 7.40 0.27 0.07 0.11 0.00 13.02 1.87 9 K C C 88.13 6.95 23.27 30.34 118.03 -111.95 -80.34 146.72 69.31 30.52 0.17 70.38 1.31 0.08 0.08 0.08 0.00 16.15 11.92 10 I H G 7.68 25.61 12.55 38.70 91.32 -117.41 -58.27 -36.32 4.96 0.18 94.86 0.69 0.59 3.02 1.59 93.93 0.00 0.19 0.00 11 S H G 61.26 8.48 19.86 29.08 89.84 63.99 -67.19 -19.37 4.23 0.10 95.67 0.29 0.36 3.04 1.30 94.92 0.00 0.09 0.00 12 E H G 103.34 5.46 21.04 27.13 94.43 60.10 -86.75 -6.36 4.84 0.09 95.07 0.58 0.56 2.85 1.24 94.69 0.00 0.08 0.00 13 I C C 12.31 24.29 9.15 32.36 113.35 104.53 -80.36 129.71 82.90 9.62 7.48 63.51 17.99 1.85 4.04 3.01 0.01 2.11 7.48 14 R C C 132.65 4.71 19.15 24.63 119.21 -162.28 -105.44 146.22 93.57 3.10 3.33 86.52 4.28 2.80 1.79 1.27 0.00 1.69 1.65 15 E C T 120.77 7.23 13.90 22.36 99.48 -105.81 -72.85 -12.85 89.52 2.96 7.52 28.68 25.04 36.37 1.62 5.60 0.00 1.66 1.03 16 E C T 127.28 3.54 15.33 19.86 102.92 68.51 -83.83 6.65 93.21 1.71 5.09 26.93 26.89 39.41 0.80 4.42 0.00 1.01 0.54 17 D C C 77.93 9.27 14.16 24.11 106.17 63.25 -85.14 86.80 94.49 2.85 2.66 57.77 21.89 14.53 0.27 2.88 0.00 2.09 0.57 18 T C C 51.65 11.35 16.05 28.09 116.03 164.44 -110.40 139.41 84.85 14.66 0.50 48.00 34.64 2.40 0.08 0.44 0.00 13.57 0.87 19 R E E 109.42 8.79 21.16 30.12 117.10 -111.63 -98.91 132.50 41.14 58.67 0.19 35.51 4.14 0.52 0.03 0.17 0.00 58.99 0.65 20 V E E 6.14 23.85 16.03 40.19 131.28 -172.82 -130.03 148.25 3.66 96.34 0.00 3.46 0.15 0.01 0.00 0.00 0.00 96.26 0.12 21 S E E 24.55 11.45 26.56 39.00 121.61 -154.86 -113.68 135.05 0.76 99.23 0.00 0.68 0.03 0.00 0.00 0.00 0.00 99.27 0.01 22 L E E 2.52 26.59 19.59 47.00 123.78 -167.83 -118.58 134.17 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 23 I E E 37.40 11.88 27.91 40.72 120.13 -165.18 -115.76 130.18 0.24 99.75 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 24 G E E 2.49 22.26 22.15 44.31 145.35 136.56 -160.62 171.22 0.65 99.35 0.00 0.50 0.05 0.00 0.00 0.00 0.00 99.45 0.00 25 R E E 74.96 9.65 27.35 38.43 123.63 -93.21 -117.11 138.29 0.49 99.51 0.00 0.41 0.02 0.00 0.00 0.00 0.00 99.56 0.01 26 V E E 5.22 24.80 15.83 41.94 109.11 -117.88 -76.58 124.62 0.33 99.67 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 27 I E E 65.20 8.00 22.93 31.86 101.31 174.70 -97.69 -31.49 1.27 98.73 0.00 0.91 0.17 0.01 0.00 0.00 0.00 98.90 0.01 28 K E E 94.39 4.79 24.93 30.37 139.74 -1.48 -155.01 151.26 1.42 98.58 0.00 1.02 0.17 0.01 0.00 0.00 0.00 98.79 0.01 29 V E E 43.29 20.21 12.27 31.24 123.08 -158.77 -125.50 129.63 3.15 96.83 0.02 2.79 0.21 0.02 0.00 0.01 0.00 96.83 0.13 30 D E E 56.42 6.37 16.61 24.67 110.71 -159.40 -108.02 113.35 25.91 74.00 0.09 24.02 1.13 0.15 0.02 0.05 0.00 74.02 0.60 31 K C T 136.23 5.43 12.28 19.97 93.86 -163.62 -66.64 -28.16 89.58 4.80 5.61 5.96 12.20 70.43 0.25 6.23 0.00 4.50 0.43 32 M C T 149.47 0.81 15.07 14.40 94.17 55.11 -72.59 -30.22 92.16 1.52 6.32 6.27 11.22 73.64 0.32 7.05 0.00 1.18 0.31 33 D C T 80.58 5.82 14.88 21.53 98.27 28.59 -94.46 2.96 93.92 1.20 4.88 14.86 15.47 62.56 0.25 5.73 0.00 0.89 0.24 34 Y C T 76.06 13.25 15.24 29.07 97.18 -128.86 58.67 40.81 96.22 3.24 0.54 22.78 12.90 60.35 0.06 0.50 0.00 3.24 0.17 35 M E E 40.58 11.61 21.37 34.13 130.16 129.13 -125.42 148.85 6.08 93.91 0.01 5.14 0.54 0.03 0.00 0.01 0.00 94.10 0.18 36 F E E 5.89 24.47 17.74 42.83 126.99 -162.39 -121.96 141.67 0.25 99.75 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 37 W E E 59.06 11.05 26.81 38.95 118.03 -150.08 -109.05 127.44 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 38 L E E 4.15 25.21 18.02 44.05 119.50 -166.30 -113.15 128.55 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 39 D E E 52.80 9.79 23.92 34.05 111.55 -160.96 -105.28 116.15 2.57 97.43 0.00 2.23 0.14 0.01 0.00 0.00 0.00 97.56 0.06 40 D C E 36.33 16.08 15.50 31.92 100.20 174.87 -106.09 4.23 52.31 47.56 0.14 45.62 4.31 0.66 0.02 0.13 0.00 48.59 0.66 41 G C T 53.31 3.40 18.90 22.92 96.14 -98.73 76.07 -2.98 99.07 0.49 0.43 1.33 45.14 52.69 0.01 0.44 0.00 0.33 0.07 42 T C T 85.17 4.77 17.35 22.84 101.54 53.16 -101.85 -14.02 98.97 0.62 0.41 1.36 44.91 52.81 0.01 0.40 0.00 0.43 0.08 43 G E E 19.30 8.74 19.55 29.45 142.78 -47.35 151.81 -176.71 43.86 55.94 0.20 28.98 13.65 1.52 0.02 0.25 0.00 54.89 0.70 44 V E E 66.57 11.77 20.31 32.30 127.07 -88.88 -120.48 142.66 9.73 90.26 0.01 9.03 0.43 0.06 0.00 0.01 0.00 90.24 0.22 45 A E E 6.01 22.91 17.09 40.36 126.76 -169.90 -124.13 139.81 1.05 98.95 0.00 1.09 0.02 0.00 0.00 0.00 0.00 98.86 0.02 46 I E E 56.34 9.98 26.19 36.93 116.22 -143.09 -100.01 128.77 0.19 99.81 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.78 0.01 47 I E E 4.89 25.48 16.64 42.91 120.39 -166.35 -114.03 130.41 0.43 99.57 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 48 E E E 74.28 9.05 24.81 34.14 119.54 -159.76 -106.41 132.89 4.66 95.32 0.01 4.23 0.23 0.02 0.00 0.00 0.00 95.31 0.21 49 S C C 21.98 19.24 13.35 31.78 126.03 -168.03 -115.26 148.83 56.43 43.36 0.21 51.37 3.04 0.44 0.03 0.19 0.00 44.38 0.55 50 E C C 128.00 4.35 17.61 22.90 102.87 -148.24 -88.02 -1.94 90.17 8.87 0.95 62.50 19.77 7.31 0.10 1.16 0.00 8.53 0.63 51 S C C 71.08 4.69 15.53 21.40 114.59 52.91 -101.46 135.69 96.55 1.87 1.58 52.67 28.80 14.90 0.18 1.80 0.00 1.14 0.52 52 D C C 92.29 6.79 15.81 23.72 109.06 -109.82 -87.83 108.89 97.84 0.91 1.25 71.77 20.47 5.44 0.19 1.24 0.00 0.51 0.40 53 L C C 80.56 10.20 17.99 28.55 116.14 112.59 -94.01 131.29 99.28 0.49 0.23 90.19 8.16 0.94 0.05 0.18 0.00 0.23 0.24 54 P C C 20.34 21.54 11.70 32.40 116.51 -129.06 -79.05 147.81 99.41 0.46 0.13 97.49 1.71 0.30 0.03 0.07 0.00 0.19 0.21 55 K C C 127.23 3.11 22.93 26.28 121.49 -143.44 -105.24 143.86 97.95 1.87 0.18 95.13 2.09 0.44 0.06 0.08 0.00 0.51 1.70 56 V C T 86.39 10.66 14.25 25.57 110.63 -91.17 -61.00 135.12 98.72 0.91 0.38 1.32 3.66 93.95 0.04 0.25 0.00 0.53 0.25 57 G C T 44.38 4.31 19.26 24.49 96.09 24.40 87.78 -6.41 99.73 0.17 0.10 1.31 3.69 94.76 0.01 0.09 0.00 0.14 0.02 58 Q C C 59.35 11.10 17.53 29.67 119.17 127.45 -76.84 147.54 95.96 4.00 0.04 89.02 6.71 0.17 0.01 0.04 0.00 3.83 0.22 59 V E E 49.62 11.67 22.27 34.57 116.93 -126.82 -92.21 132.10 4.16 95.83 0.01 4.14 0.13 0.01 0.00 0.00 0.00 95.26 0.47 60 V E E 3.31 25.19 17.73 43.54 131.10 -172.56 -127.29 149.36 0.34 99.66 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.01 61 R E E 61.06 11.72 27.43 40.11 116.17 -131.83 -100.47 128.73 0.13 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 62 V E E 1.24 27.62 19.87 48.72 121.77 -164.56 -113.68 132.37 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 63 I E E 27.63 13.73 27.61 41.93 121.81 -167.06 -116.80 133.03 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 64 G E E 3.49 20.95 21.81 42.49 145.20 123.61 -169.47 -176.36 0.35 99.65 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 65 R E E 85.00 9.12 26.41 36.60 123.82 -79.30 -114.97 140.48 0.38 99.62 0.00 0.34 0.00 0.00 0.00 0.00 0.00 99.65 0.00 66 I E E 20.60 22.42 15.36 37.79 113.75 -125.18 -83.10 128.90 0.69 99.31 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.30 0.01 67 I E E 58.21 8.52 20.63 30.24 125.53 -172.32 -121.83 141.00 0.80 99.20 0.00 0.70 0.03 0.00 0.00 0.00 0.00 99.25 0.02 68 R E E 148.90 5.66 14.69 22.42 114.12 -123.90 -85.22 129.17 6.56 93.43 0.01 5.40 0.69 0.07 0.00 0.01 0.00 93.70 0.13 69 N E E 56.85 7.46 10.13 19.54 131.43 170.73 -127.27 174.47 48.42 51.51 0.08 44.00 2.52 0.26 0.01 0.06 0.00 52.56 0.58 70 E C T 174.63 0.41 11.67 10.74 90.97 -89.76 -62.87 -26.47 99.13 0.52 0.35 2.11 33.78 63.31 0.01 0.34 0.00 0.38 0.08 71 E C T 151.91 1.16 12.22 13.35 96.28 44.60 -92.63 -0.28 99.29 0.35 0.36 2.06 33.03 64.25 0.01 0.35 0.00 0.25 0.05 72 G E E 20.57 6.06 16.52 24.37 135.51 -80.35 128.65 -171.24 40.29 59.60 0.11 21.20 18.67 1.23 0.01 0.12 0.00 58.28 0.49 73 I E E 39.54 15.88 14.41 30.74 118.82 -30.87 -95.84 136.20 9.97 90.02 0.00 9.18 0.28 0.01 0.00 0.00 0.00 90.46 0.07 74 H E E 43.65 11.89 22.40 35.23 124.87 -167.57 -120.98 139.49 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 75 I E E 5.69 24.75 18.16 43.66 117.33 -147.31 -106.68 127.15 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 76 Y E E 73.11 10.12 27.18 37.83 118.23 -166.21 -113.06 126.04 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 77 A E E 5.91 24.44 15.07 39.93 113.13 -129.27 -76.73 133.48 0.81 99.19 0.00 0.75 0.01 0.00 0.00 0.00 0.00 99.23 0.00 78 E E E 80.53 8.29 23.36 32.33 99.83 177.52 -92.11 -33.32 3.28 96.72 0.00 1.14 1.99 0.02 0.00 0.00 0.00 96.84 0.01 79 V E E 45.19 10.25 24.88 35.90 136.05 7.24 -149.06 143.36 0.27 99.73 0.00 0.21 0.02 0.00 0.00 0.00 0.00 99.77 0.00 80 I E E 28.21 22.97 16.56 38.71 121.64 -164.61 -121.45 127.16 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 81 Q E E 59.53 10.57 23.33 34.20 128.36 -177.38 -128.87 141.25 0.30 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.01 82 D E E 67.45 10.24 20.40 30.94 110.13 -116.81 -77.20 124.76 6.43 93.55 0.02 5.69 0.33 0.04 0.00 0.01 0.00 93.79 0.14 83 F C C 28.46 20.38 11.52 31.72 100.31 -170.44 -96.83 8.37 87.33 4.67 8.00 76.32 4.99 5.92 1.29 6.79 0.00 4.20 0.49 84 S C T 76.61 3.94 15.91 21.52 94.30 114.71 -65.55 -27.50 82.52 1.74 15.74 13.99 17.91 50.61 2.72 12.95 0.01 1.01 0.81 85 D C T 121.67 1.13 17.02 17.09 96.15 44.85 -90.07 3.81 81.10 1.05 17.84 14.02 20.77 46.72 3.59 13.71 0.01 0.54 0.65 86 A C C 29.35 17.79 8.66 24.99 117.42 106.10 -83.20 144.56 83.89 1.77 14.34 50.89 26.51 7.10 8.38 5.23 0.00 0.67 1.23 87 D C C 77.93 5.58 16.49 23.09 105.33 -119.24 -83.69 105.49 91.48 0.61 7.91 86.35 2.86 2.53 6.74 0.93 0.00 0.23 0.37 88 L H H 89.24 8.46 13.52 23.42 94.05 -164.42 -64.31 -34.50 3.91 0.02 96.06 1.51 0.61 1.63 95.60 0.63 0.00 0.01 0.01 89 E H H 125.03 1.80 18.27 19.45 91.97 55.01 -64.25 -40.19 1.66 0.01 98.33 0.33 0.16 1.01 97.76 0.73 0.00 0.00 0.00 90 A H H 30.38 9.52 16.12 27.16 92.11 50.09 -65.22 -40.93 0.95 0.01 99.04 0.23 0.08 0.53 98.39 0.77 0.00 0.00 0.00 91 L H H 29.35 15.76 15.04 31.17 91.85 51.42 -63.65 -42.15 0.37 0.00 99.63 0.10 0.03 0.18 99.47 0.22 0.00 0.00 0.00 92 E H H 93.18 3.82 20.60 24.50 91.67 50.69 -63.99 -40.96 0.20 0.00 99.80 0.04 0.01 0.10 99.81 0.04 0.00 0.00 0.00 93 E H H 89.05 4.71 20.58 25.47 91.86 50.70 -64.37 -41.26 0.16 0.00 99.84 0.03 0.01 0.09 99.85 0.03 0.00 0.00 0.00 94 I H H 22.54 17.12 16.79 34.33 91.88 50.57 -64.38 -42.41 0.14 0.00 99.86 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 95 R H H 96.49 9.67 19.87 29.87 91.66 51.31 -63.57 -41.45 0.19 0.00 99.81 0.03 0.01 0.10 99.83 0.02 0.00 0.00 0.00 96 E H H 98.26 2.46 21.35 22.79 91.66 50.11 -64.09 -41.64 0.35 0.00 99.65 0.06 0.02 0.20 99.69 0.03 0.00 0.00 0.00 97 L H H 39.43 10.57 18.00 29.83 91.99 50.01 -64.53 -42.10 0.49 0.00 99.50 0.09 0.03 0.28 99.52 0.08 0.00 0.00 0.00 98 E H H 48.41 15.76 15.87 31.44 91.73 51.18 -63.44 -41.13 0.78 0.00 99.22 0.12 0.05 0.48 99.17 0.19 0.00 0.00 0.00 99 R H H 139.63 3.11 19.13 22.67 91.83 51.18 -64.94 -38.23 3.08 0.01 96.91 0.25 0.15 2.44 96.57 0.58 0.00 0.00 0.00 100 K H H 118.95 2.62 19.12 21.31 92.98 49.29 -69.12 -36.53 12.67 0.02 87.31 0.49 0.51 11.51 86.54 0.92 0.01 0.01 0.01 101 L H H 36.42 12.81 14.68 28.42 94.86 47.34 -73.63 -33.79 19.99 0.07 79.94 1.68 1.90 16.08 78.70 1.53 0.03 0.03 0.04 102 L H H 53.40 11.23 13.88 26.17 92.86 58.55 -63.26 -42.27 15.60 0.37 84.03 5.83 2.67 6.96 67.71 16.46 0.03 0.23 0.12 103 P H H 79.58 2.47 16.70 19.16 92.24 51.75 -65.09 -37.71 16.07 0.53 83.41 6.04 1.89 7.33 66.45 17.74 0.02 0.42 0.11 104 R H H 134.95 3.37 15.41 19.57 93.35 50.83 -69.34 -34.19 14.95 0.81 84.24 5.89 2.38 6.54 68.23 16.15 0.04 0.60 0.18 105 L H H 62.54 10.83 11.13 22.68 96.63 51.13 -79.06 -22.71 25.42 1.86 72.72 12.38 5.24 9.45 65.03 6.09 0.08 1.14 0.59 106 E H H 121.29 4.29 12.07 17.91 100.13 65.61 -73.59 -9.29 48.11 2.02 49.87 17.02 8.31 22.89 46.55 3.32 0.08 1.08 0.75 107 G C T 56.28 2.17 12.00 15.20 101.45 19.18 60.00 1.33 67.77 1.38 30.85 20.65 11.69 35.29 27.15 3.96 0.03 0.69 0.55 108 E C C 122.63 3.71 9.92 15.35 106.88 105.79 -87.13 60.03 73.55 3.96 22.49 37.26 17.54 19.03 17.63 4.89 0.03 2.40 1.22 109 I C C 109.93 4.59 8.58 14.90 111.94 98.10 -91.43 123.93 72.98 11.15 15.87 46.27 13.73 12.59 11.83 4.60 0.03 8.32 2.62 110 V C C 108.40 2.93 9.16 13.89 112.75 -161.45 -95.46 126.97 84.66 8.48 6.86 76.72 2.12 5.73 5.09 1.48 0.00 6.94 1.92 111 W C C 165.88 5.01 10.68 17.31 111.48 -148.87 -91.89 122.34 99.87 0.12 0.01 99.81 0.07 0.03 0.00 0.00 0.00 0.07 0.01