# 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 S C C 64.34 5.63 12.75 19.68 114.78 -157.10 -93.47 140.86 99.92 0.05 0.03 99.85 0.08 0.03 0.01 0.00 0.00 0.02 0.01 1 N C C 90.77 4.43 11.11 16.96 105.17 -145.48 -85.69 80.70 70.56 1.19 28.26 66.55 0.78 2.46 28.71 0.56 0.00 0.38 0.57 2 I H H 98.48 3.61 11.51 16.64 94.87 114.22 -66.16 -37.68 7.83 0.09 92.08 4.24 1.07 2.45 91.54 0.62 0.00 0.03 0.03 3 I H H 82.28 5.31 12.08 18.93 92.78 51.81 -65.65 -40.70 2.59 0.04 97.37 1.28 0.33 1.02 96.76 0.58 0.00 0.02 0.01 4 K H H 111.89 2.71 14.05 17.54 92.14 51.15 -65.04 -40.59 1.22 0.03 98.75 0.60 0.15 0.49 98.20 0.54 0.00 0.02 0.00 5 Q H H 95.35 2.25 14.76 17.29 92.04 50.43 -64.64 -41.21 1.02 0.02 98.96 0.43 0.11 0.46 98.66 0.32 0.00 0.01 0.00 6 L H H 73.14 4.33 14.38 20.09 92.43 50.06 -64.76 -41.47 1.08 0.01 98.90 0.40 0.11 0.52 98.68 0.28 0.00 0.01 0.00 7 E H H 85.72 5.73 14.32 21.38 92.27 50.85 -64.85 -40.56 1.47 0.01 98.51 0.47 0.14 0.76 98.31 0.31 0.00 0.01 0.00 8 Q H H 100.50 2.72 15.67 18.83 92.35 50.89 -65.31 -39.72 2.85 0.02 97.13 0.71 0.29 1.74 96.48 0.76 0.00 0.01 0.01 9 E H H 105.11 2.49 15.61 18.37 92.51 50.69 -65.98 -39.12 6.42 0.03 93.56 1.06 0.58 4.55 92.52 1.25 0.01 0.01 0.02 10 Q H H 83.40 6.38 13.62 21.36 93.07 51.75 -68.51 -34.71 17.56 0.08 82.36 2.73 1.53 12.87 80.87 1.89 0.01 0.03 0.05 11 M H H 92.22 7.19 12.45 20.98 94.27 58.78 -71.92 -24.15 38.60 0.39 61.00 12.77 5.45 21.01 56.81 3.52 0.03 0.16 0.24 12 K C H 140.64 2.67 13.84 17.54 97.23 64.29 -77.96 -12.47 60.13 1.05 38.82 30.66 7.44 21.97 34.34 4.55 0.01 0.47 0.57 13 Q C C 108.18 4.97 12.17 18.83 108.67 85.05 -87.09 105.09 79.97 1.19 18.84 45.89 16.21 17.31 15.54 3.86 0.00 0.53 0.67 14 D C C 109.99 3.02 15.45 19.58 107.05 -117.94 -84.21 103.26 93.44 1.29 5.26 72.57 9.79 11.14 3.00 2.08 0.00 0.65 0.77 15 V C C 47.39 16.39 10.53 26.34 116.88 -159.40 -97.62 130.08 99.02 0.88 0.10 84.83 13.97 0.26 0.05 0.04 0.00 0.33 0.53 16 P C C 51.29 9.44 16.85 27.57 115.39 -111.74 -66.97 151.01 99.66 0.22 0.12 93.40 4.45 1.86 0.02 0.10 0.00 0.11 0.07 17 S C C 68.74 6.93 20.63 28.37 114.98 -112.08 -81.59 136.82 98.78 1.09 0.13 85.71 10.18 2.92 0.02 0.16 0.00 0.44 0.58 18 F C C 18.09 23.35 11.26 34.04 124.50 -157.01 -113.69 142.44 93.10 6.85 0.04 90.20 2.67 0.08 0.02 0.02 0.00 1.23 5.79 19 R C C 124.78 3.62 24.15 27.95 128.98 -159.07 -118.63 156.78 99.85 0.15 0.01 99.51 0.38 0.01 0.00 0.00 0.00 0.04 0.06 20 P C T 69.65 11.73 15.14 27.42 110.81 -81.53 -59.26 137.19 99.82 0.08 0.10 0.14 1.20 98.55 0.00 0.05 0.00 0.03 0.02 21 G C T 38.85 5.28 19.74 26.12 96.35 26.45 91.23 -7.21 99.90 0.04 0.05 0.21 1.20 98.52 0.00 0.04 0.00 0.03 0.00 22 D C C 33.65 12.77 16.40 30.65 119.04 131.05 -72.52 149.62 93.94 6.05 0.01 92.86 1.28 0.02 0.00 0.00 0.00 5.71 0.13 23 T E E 53.64 9.76 22.35 32.74 119.63 -131.28 -101.78 134.20 1.20 98.80 0.00 1.27 0.02 0.00 0.00 0.00 0.00 98.61 0.11 24 V E E 5.56 24.17 15.75 40.41 128.13 -172.29 -124.94 143.09 0.13 99.87 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 25 E E E 65.70 8.50 25.49 34.74 115.77 -137.64 -99.97 126.81 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 26 V E E 3.82 25.52 15.98 42.51 120.18 -165.12 -111.41 130.93 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 27 K E E 65.37 9.09 25.47 35.08 120.73 -163.74 -112.65 131.44 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 28 V E E 9.13 22.34 16.38 39.07 123.22 -167.34 -118.11 134.72 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 29 W E E 75.87 8.91 21.96 32.07 117.07 -152.41 -104.60 128.95 0.48 99.52 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.00 30 V E E 22.09 16.12 14.14 31.25 123.99 -169.03 -117.62 139.33 1.80 98.20 0.00 1.54 0.11 0.01 0.00 0.00 0.00 98.31 0.03 31 V E E 69.03 6.51 14.50 22.91 116.50 -143.36 -104.54 126.75 9.20 90.75 0.05 7.79 0.87 0.13 0.01 0.04 0.00 90.94 0.22 32 E E E 100.09 6.33 9.99 18.13 115.22 -176.41 -123.58 113.70 28.73 69.82 1.46 12.40 8.34 9.45 0.16 1.43 0.00 67.56 0.67 33 G C T 63.45 0.59 12.15 11.69 108.57 -37.42 65.70 -123.46 97.76 0.53 1.70 3.32 13.81 80.27 0.07 2.01 0.00 0.41 0.12 34 S C T 106.88 0.33 10.42 9.31 97.20 -29.99 -87.33 1.67 97.53 0.66 1.82 3.96 20.50 72.78 0.08 2.05 0.00 0.50 0.13 35 K E E 130.92 2.07 9.93 13.69 122.07 90.53 -102.85 143.92 25.36 74.43 0.21 15.11 9.76 1.81 0.04 0.20 0.00 72.32 0.76 36 K E E 131.34 5.37 9.76 17.40 118.46 -139.86 -97.74 133.64 13.12 86.84 0.04 10.94 1.14 0.19 0.01 0.03 0.00 87.51 0.18 37 R E E 106.99 5.66 13.90 21.50 128.12 -174.79 -129.91 147.11 3.98 96.00 0.01 3.42 0.27 0.04 0.00 0.01 0.00 96.21 0.06 38 L E E 89.73 9.27 13.74 24.24 117.91 -129.48 -96.15 133.35 1.51 98.49 0.00 1.38 0.05 0.00 0.00 0.00 0.00 98.54 0.02 39 Q E E 60.23 11.07 16.56 28.75 129.57 -174.45 -129.79 147.07 0.64 99.36 0.00 0.59 0.03 0.00 0.00 0.00 0.00 99.38 0.00 40 A E E 51.01 10.26 19.35 30.16 119.26 -131.94 -94.65 137.73 0.30 99.70 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 41 F E E 17.09 20.03 16.67 36.99 132.98 -176.33 -133.52 154.00 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 42 E E E 76.74 10.50 25.05 35.66 123.44 -142.67 -112.02 137.81 0.60 99.40 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.51 0.00 43 G E E 4.42 18.31 22.66 41.11 145.24 122.61 -170.52 -172.70 1.18 98.82 0.00 0.85 0.10 0.00 0.00 0.00 0.00 99.04 0.01 44 V E E 31.08 13.65 26.42 40.97 121.89 -67.72 -111.31 136.82 0.32 99.68 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.72 0.00 45 V E E 5.44 24.72 19.03 44.78 109.78 -118.40 -75.91 124.93 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 46 I E E 32.72 14.69 24.47 39.64 100.86 174.09 -100.19 -28.42 0.44 99.56 0.00 0.32 0.05 0.00 0.00 0.00 0.00 99.62 0.00 47 A E E 21.05 11.33 25.34 37.83 142.39 -1.27 -158.23 154.66 0.51 99.49 0.00 0.37 0.07 0.00 0.00 0.00 0.00 99.56 0.01 48 I E E 40.56 19.79 15.75 34.83 123.36 -153.88 -126.23 129.76 3.45 96.55 0.00 3.34 0.08 0.00 0.00 0.00 0.00 96.45 0.12 49 R E E 103.41 7.58 18.32 26.83 123.44 -163.95 -115.36 139.77 46.66 53.26 0.08 37.68 6.80 0.89 0.01 0.08 0.00 54.13 0.40 50 N C S 117.36 3.48 15.69 20.46 97.25 -13.19 44.12 50.04 80.34 19.46 0.20 34.86 40.02 4.68 0.02 0.24 0.00 19.70 0.47 51 R C C 138.84 5.07 12.45 19.15 114.59 142.34 -113.96 101.98 85.52 13.76 0.72 40.78 39.26 5.74 0.11 0.79 0.00 11.35 1.97 52 G C S 45.03 2.67 15.67 19.01 122.98 -27.94 81.11 -153.45 89.10 3.76 7.14 8.60 55.15 25.39 0.38 7.01 0.00 2.26 1.20 53 L C T 117.31 4.79 14.22 20.27 94.17 -29.21 -71.91 -20.99 89.97 1.13 8.90 2.65 24.91 61.21 0.20 9.99 0.00 0.70 0.33 54 H C T 102.54 7.76 16.23 24.77 104.13 45.64 -104.53 28.94 80.74 10.61 8.66 9.34 18.12 52.24 0.23 9.90 0.00 9.56 0.60 55 S C C 18.97 14.16 15.12 30.65 120.47 122.06 -87.84 143.34 58.00 41.35 0.65 52.18 3.61 0.84 0.06 0.58 0.00 42.18 0.55 56 A E E 21.83 12.86 22.23 35.83 135.28 157.62 -139.02 156.35 6.92 93.06 0.02 6.08 0.55 0.04 0.01 0.01 0.00 93.11 0.21 57 F E E 11.58 22.55 19.56 42.22 124.68 -147.22 -118.31 140.22 0.62 99.37 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.44 0.01 58 T E E 21.45 13.48 25.39 39.71 121.71 -155.75 -113.93 134.96 0.15 99.85 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 59 V E E 5.41 23.64 19.76 43.84 121.75 -164.70 -116.20 132.77 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 60 R E E 60.21 13.37 23.65 37.00 124.43 -167.93 -117.90 136.66 0.56 99.44 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.50 0.01 61 K E E 48.42 14.65 19.08 33.88 127.40 -168.65 -121.34 146.54 1.54 98.46 0.01 1.22 0.15 0.01 0.00 0.00 0.00 98.58 0.03 62 I E E 59.27 11.62 15.90 28.72 116.34 -138.74 -102.75 125.16 6.66 93.28 0.05 5.49 0.91 0.11 0.01 0.03 0.00 93.27 0.18 63 S E E 43.78 9.33 11.98 22.84 126.37 169.52 -135.96 137.50 15.44 84.19 0.36 10.41 4.15 1.45 0.08 0.28 0.00 82.59 1.04 64 N C T 141.82 0.86 14.10 13.97 93.27 -13.60 51.94 41.83 98.70 0.71 0.59 1.00 10.70 87.03 0.03 0.60 0.00 0.54 0.12 65 G C T 57.51 2.57 12.83 16.23 95.15 -51.19 81.92 1.30 99.04 0.50 0.46 1.18 11.82 86.03 0.02 0.50 0.00 0.38 0.07 66 E E E 106.68 4.11 15.47 21.05 124.76 102.83 -112.67 141.26 10.24 89.65 0.11 7.14 2.77 0.44 0.03 0.08 0.00 88.92 0.62 67 G E E 25.53 14.59 12.87 27.33 125.41 -149.17 -104.64 150.95 5.74 94.24 0.01 4.46 0.83 0.07 0.00 0.01 0.00 94.55 0.08 68 V E E 40.54 12.14 18.64 32.00 125.19 -160.56 -125.37 136.77 2.28 97.72 0.00 2.01 0.11 0.01 0.00 0.00 0.00 97.84 0.03 69 E E E 78.65 14.47 18.11 32.22 122.03 -155.53 -110.00 133.56 1.54 98.46 0.00 1.28 0.08 0.00 0.00 0.00 0.00 98.63 0.01 70 R E E 65.08 14.26 19.89 34.18 129.97 -175.52 -131.93 142.91 0.34 99.66 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 71 V E E 56.63 13.27 21.87 35.04 120.38 -149.07 -110.68 129.17 0.17 99.83 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 72 F E E 19.48 20.21 17.79 38.02 128.67 -174.60 -126.66 144.54 0.76 99.24 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.27 0.02 73 Q E E 78.46 8.32 24.13 32.57 113.88 -116.60 -77.85 137.72 11.46 88.50 0.03 10.17 0.81 0.16 0.01 0.03 0.00 88.56 0.27 74 T C T 29.21 20.56 16.13 35.83 94.77 -120.22 -64.76 -25.07 89.66 8.96 1.39 21.18 18.25 49.98 0.09 1.56 0.00 8.28 0.65 75 H C T 99.88 8.76 21.77 31.01 95.40 58.65 -89.21 4.16 95.00 3.83 1.16 20.66 23.14 50.98 0.07 1.51 0.00 2.86 0.78 76 S C C 16.83 17.92 13.92 32.32 113.29 123.91 -71.96 134.94 95.52 3.89 0.60 62.33 31.92 1.53 0.11 0.54 0.00 2.07 1.50 77 P C T 83.18 5.81 21.69 28.32 92.92 -129.55 -66.25 -18.35 97.11 1.40 1.50 4.32 25.32 67.55 0.16 1.38 0.00 1.03 0.23 78 V C T 39.19 15.07 18.43 33.54 95.59 60.94 -87.73 -8.97 85.22 12.82 1.95 7.58 12.55 65.82 0.30 1.75 0.00 11.30 0.70 79 V E E 10.99 24.28 12.36 36.50 111.85 102.42 -85.14 119.95 12.75 87.15 0.10 11.96 0.82 0.09 0.04 0.05 0.00 85.94 1.09 80 D E E 83.58 4.88 22.29 27.84 100.14 177.00 -94.56 -31.31 11.71 88.19 0.10 8.81 2.20 0.15 0.02 0.05 0.00 88.67 0.10 81 S E E 46.15 5.71 24.38 30.99 142.84 -0.87 -158.92 157.13 2.26 97.67 0.07 1.74 0.22 0.03 0.02 0.03 0.00 97.95 0.02 82 I E E 20.71 24.03 13.26 36.92 125.40 -159.91 -131.18 131.38 0.84 99.12 0.04 0.78 0.03 0.00 0.01 0.01 0.00 99.15 0.01 83 S E E 47.23 6.36 25.19 31.83 123.75 -169.75 -118.47 137.43 0.59 99.37 0.04 0.54 0.02 0.00 0.01 0.01 0.00 99.41 0.01 84 V E E 34.84 20.18 14.05 33.58 118.47 -155.80 -107.14 126.77 1.36 98.61 0.03 1.31 0.03 0.00 0.01 0.01 0.00 98.60 0.03 85 K E E 102.44 6.30 20.18 27.07 116.24 -173.23 -109.68 121.35 5.69 94.24 0.07 5.07 0.39 0.05 0.03 0.03 0.00 94.32 0.12 86 R E E 116.56 9.58 15.57 25.80 124.17 -3.98 -125.33 139.44 19.16 80.63 0.21 17.19 1.52 0.22 0.08 0.11 0.00 80.33 0.55 87 R C C 133.35 7.83 14.45 23.59 118.57 -160.72 -109.90 132.38 60.70 38.11 1.19 48.86 8.63 2.08 0.36 0.76 0.00 38.12 1.20 88 G C C 34.00 7.33 14.11 22.53 130.53 41.86 -132.59 171.02 85.33 10.61 4.06 54.73 24.67 6.36 1.67 2.15 0.00 9.10 1.31 89 A C C 76.77 3.79 16.30 20.97 113.82 -70.25 -86.47 138.17 84.28 6.75 8.97 59.47 19.35 5.64 5.75 3.34 0.00 4.88 1.56 90 V C C 67.17 12.45 10.95 23.57 115.77 -140.75 -96.05 130.94 79.07 6.12 14.81 62.60 10.96 5.22 10.77 4.52 0.01 4.14 1.78 91 R C C 137.50 5.57 14.92 21.85 115.70 -163.75 -96.46 132.39 79.97 4.79 15.24 65.51 9.03 5.03 11.62 4.19 0.00 3.22 1.39 92 K C C 127.50 6.30 15.37 22.78 111.87 -120.37 -88.81 127.15 72.52 4.49 22.99 55.05 10.81 6.28 17.89 5.76 0.01 2.91 1.29 93 A C C 43.51 12.58 12.51 25.38 114.28 -136.49 -82.87 137.02 69.78 3.81 26.41 52.26 10.50 6.34 21.36 5.94 0.01 2.71 0.89 94 K C C 116.63 6.44 18.22 25.10 108.32 -134.16 -91.36 111.38 65.06 6.79 28.14 50.01 8.32 6.10 23.29 5.58 0.01 5.44 1.24 95 L C C 45.31 16.22 13.35 29.24 106.93 135.55 -87.96 81.31 48.79 12.29 38.93 40.80 4.49 3.81 31.84 6.91 0.02 10.75 1.38 96 Y H H 105.06 7.77 18.29 26.63 98.09 102.01 -74.03 -34.01 28.73 13.66 57.61 16.52 4.98 7.97 41.76 14.79 0.06 12.95 0.97 97 Y H H 83.11 9.72 17.26 27.66 98.27 50.35 -76.70 -28.25 23.80 16.45 59.75 12.81 4.18 7.70 41.30 17.28 0.09 15.66 0.99 98 L H H 43.68 15.26 14.05 29.22 96.34 71.55 -74.90 -24.49 18.99 13.67 67.34 11.75 3.29 4.91 42.96 22.92 0.05 13.35 0.77 99 R H H 114.38 8.86 15.41 24.99 95.35 66.58 -69.05 -29.89 28.67 11.66 59.67 13.24 5.67 10.42 38.83 19.79 0.21 10.57 1.26 100 E H H 122.94 3.77 16.68 21.01 99.04 53.27 -89.44 -0.53 45.43 8.18 46.39 17.81 9.25 18.61 29.54 16.64 0.31 6.36 1.47 101 R C C 94.25 11.89 10.80 23.02 111.54 105.47 -87.26 122.98 73.74 5.51 20.76 47.87 16.06 9.07 17.49 4.36 0.03 3.55 1.57 102 T C C 86.47 5.14 13.60 20.02 112.78 -164.11 -99.71 124.71 79.62 3.55 16.82 48.04 12.95 17.87 13.41 4.30 0.01 2.06 1.36 103 G C T 44.21 4.67 14.06 19.89 111.16 10.46 82.61 -155.73 72.66 1.43 25.91 22.64 24.04 26.66 16.43 8.76 0.03 0.69 0.76 104 K C H 137.90 4.05 14.23 19.42 97.81 -14.36 -72.28 -26.56 53.99 1.77 44.24 19.39 14.67 20.12 26.74 17.25 0.07 0.99 0.77 105 A H H 57.91 6.84 13.84 21.89 98.13 63.85 -74.63 -19.18 47.66 4.22 48.11 21.74 10.54 15.47 28.26 19.92 0.10 2.82 1.15 106 A C C 41.27 11.39 12.28 24.40 101.44 71.32 -81.93 4.68 48.23 6.91 44.86 30.09 8.80 9.48 28.68 16.36 0.05 5.15 1.39 107 R C C 126.10 6.54 15.58 23.18 111.37 96.63 -90.85 122.46 52.10 13.15 34.75 36.64 8.63 6.87 25.83 9.20 0.06 10.50 2.28 108 I C C 76.40 11.01 11.64 23.23 109.95 -142.07 -88.80 118.96 49.89 16.88 33.23 36.67 7.24 5.81 27.15 6.25 0.05 14.63 2.19 109 K C C 128.07 4.81 12.81 19.05 107.60 -153.37 -90.24 75.79 53.04 16.52 30.44 35.69 8.84 7.76 24.53 6.51 0.06 14.75 1.87 110 E C C 120.71 4.88 10.45 17.04 110.44 -140.94 -89.27 119.22 57.91 16.59 25.50 38.92 9.34 8.88 19.08 7.00 0.04 14.81 1.92 111 R C C 155.64 3.96 10.31 16.10 109.98 -140.65 -88.62 113.53 74.05 10.98 14.97 64.80 2.04 7.11 11.14 3.40 0.00 9.29 2.23 112 L C C 103.77 6.23 11.19 18.78 109.13 -140.55 -88.23 107.96 99.71 0.23 0.06 99.63 0.09 0.07 0.04 0.00 0.00 0.15 0.01