# 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 105.35 6.42 11.93 19.65 111.50 63.11 -89.53 120.68 99.71 0.07 0.22 99.59 0.09 0.10 0.17 0.01 0.00 0.03 0.01 1 Q C C 107.30 4.72 10.40 16.72 109.86 -151.12 -87.77 119.98 67.07 0.53 32.40 61.20 0.84 3.82 32.87 0.84 0.00 0.21 0.22 2 K H H 129.39 2.87 11.58 15.58 103.49 -143.23 -76.17 -10.07 39.28 0.75 59.96 29.54 3.97 5.07 59.54 1.28 0.00 0.33 0.26 3 L H H 91.78 4.22 12.50 18.07 94.55 58.39 -65.79 -39.17 11.52 0.53 87.95 8.00 1.62 2.57 85.86 1.49 0.00 0.31 0.14 4 I H H 68.52 7.86 12.68 21.97 93.02 51.00 -66.27 -39.97 4.81 0.36 94.83 3.18 0.68 1.38 93.08 1.35 0.00 0.25 0.08 5 E H H 94.30 4.36 14.92 20.49 92.59 52.06 -65.06 -40.13 3.84 0.32 95.84 2.30 0.53 1.29 94.32 1.25 0.00 0.24 0.07 6 D H H 78.04 2.78 16.35 19.37 92.96 50.53 -65.80 -40.06 4.78 0.37 94.85 2.38 0.67 1.97 93.39 1.22 0.01 0.26 0.09 7 I H H 67.17 5.89 15.46 22.83 93.07 49.69 -66.55 -41.18 6.69 0.34 92.97 3.08 1.01 2.91 91.45 1.23 0.02 0.20 0.11 8 T H H 46.33 9.03 14.26 24.65 93.34 50.49 -66.90 -40.12 11.16 0.33 88.51 5.20 1.67 4.57 86.95 1.30 0.01 0.16 0.14 9 K H H 115.37 4.49 16.26 21.75 92.75 52.06 -65.45 -39.08 12.39 0.25 87.36 4.47 2.01 6.41 83.35 3.48 0.03 0.12 0.12 10 E H H 116.48 2.41 16.84 19.23 93.68 49.75 -69.00 -36.39 17.19 0.21 82.60 3.78 2.22 11.32 78.52 3.91 0.04 0.10 0.11 11 Q H H 83.14 7.27 14.88 23.27 94.74 50.05 -73.35 -27.42 28.69 0.38 70.93 6.80 3.95 18.42 66.46 3.94 0.05 0.17 0.21 12 L C H 60.72 12.46 12.17 24.98 97.60 62.10 -75.48 -19.61 52.44 1.42 46.14 28.72 9.81 15.46 39.72 4.90 0.03 0.60 0.76 13 R C C 134.65 5.94 14.29 21.52 101.76 74.92 -80.09 -2.03 68.37 2.31 29.33 47.06 7.50 13.15 23.86 6.08 0.01 1.19 1.15 14 T C C 87.32 4.82 13.89 19.91 103.95 90.54 -88.08 -1.97 79.02 1.86 19.12 44.53 17.58 17.16 12.27 6.59 0.01 0.88 0.98 15 D C C 103.61 3.77 15.79 20.71 106.21 37.02 -93.29 74.00 91.07 1.46 7.48 61.83 14.69 14.69 3.07 4.16 0.00 0.73 0.84 16 L C C 51.63 16.93 10.61 26.72 118.56 149.11 -91.52 136.42 99.02 0.81 0.17 78.59 20.04 0.40 0.07 0.08 0.00 0.28 0.54 17 P C C 49.07 10.10 16.73 28.03 115.67 -107.91 -67.31 152.70 99.53 0.27 0.20 92.27 4.93 2.37 0.03 0.17 0.00 0.13 0.10 18 A C C 69.02 6.42 21.46 28.44 112.90 -106.94 -75.54 137.28 98.54 1.25 0.22 86.08 9.48 2.93 0.03 0.27 0.00 0.49 0.73 19 F C C 17.09 23.86 11.04 34.34 123.30 -151.29 -108.75 141.83 94.89 5.05 0.05 91.55 2.98 0.10 0.02 0.02 0.00 0.88 4.44 20 R C C 124.80 3.65 24.33 28.19 129.32 -164.05 -122.15 156.06 99.85 0.14 0.01 99.52 0.36 0.01 0.00 0.00 0.00 0.03 0.07 21 P C T 69.66 11.90 15.11 27.51 110.58 -81.83 -59.27 136.69 99.83 0.08 0.08 0.14 1.14 98.62 0.00 0.04 0.00 0.03 0.02 22 G C T 39.68 5.07 19.81 25.97 96.36 26.58 91.10 -7.01 99.92 0.04 0.04 0.19 1.17 98.58 0.00 0.03 0.00 0.02 0.00 23 D C C 33.34 12.90 16.27 30.65 118.98 131.23 -71.68 149.46 94.03 5.97 0.01 92.92 1.26 0.02 0.00 0.00 0.00 5.65 0.13 24 T E E 53.43 9.87 22.29 32.79 119.55 -132.52 -102.89 133.75 1.32 98.68 0.00 1.39 0.02 0.00 0.00 0.00 0.00 98.44 0.14 25 L E E 6.18 24.35 15.76 40.56 127.32 -169.91 -122.95 142.96 0.22 99.78 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 26 R E E 95.76 8.04 25.55 34.05 115.94 -137.04 -99.72 126.98 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 27 V E E 4.01 25.49 15.86 42.32 120.73 -165.60 -112.80 131.62 0.23 99.77 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 28 H E E 55.25 9.25 25.00 35.02 120.44 -163.96 -112.82 130.92 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 29 V E E 10.98 21.73 16.29 38.31 123.70 -167.79 -120.19 134.60 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 30 K E E 76.53 8.19 21.87 30.89 116.57 -150.41 -103.48 126.58 0.46 99.54 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.00 31 V E E 24.23 15.83 13.61 30.33 123.05 -169.21 -116.02 139.09 1.39 98.61 0.00 1.18 0.07 0.00 0.00 0.00 0.00 98.72 0.02 32 V E E 70.23 6.34 13.99 22.29 115.98 -143.08 -105.07 126.15 6.56 93.41 0.03 5.45 0.62 0.09 0.00 0.02 0.00 93.66 0.15 33 E E E 100.22 5.94 9.89 17.73 114.92 -177.76 -125.66 111.90 21.58 77.43 0.99 10.19 6.03 6.34 0.10 1.04 0.00 75.72 0.57 34 G C T 64.11 0.53 12.10 11.40 108.45 -43.75 63.03 -124.71 98.64 0.37 0.99 1.99 11.37 85.05 0.03 1.22 0.00 0.28 0.07 35 N C T 149.12 0.32 10.37 9.20 96.95 -26.48 -88.02 2.93 98.70 0.37 0.93 2.10 14.50 81.91 0.03 1.12 0.00 0.28 0.06 36 R E E 145.95 2.16 10.19 14.11 122.48 92.95 -106.77 143.44 17.17 82.73 0.10 10.94 5.89 0.94 0.02 0.09 0.00 81.58 0.54 37 E E E 116.70 6.39 9.85 18.28 119.38 -143.85 -101.40 134.57 8.10 91.89 0.01 6.94 0.41 0.04 0.00 0.01 0.00 92.53 0.07 38 R E E 102.66 6.15 14.33 22.38 128.72 -177.32 -129.93 147.15 2.05 97.95 0.00 1.81 0.08 0.01 0.00 0.00 0.00 98.09 0.02 39 I E E 86.70 9.76 14.32 25.23 118.21 -134.16 -100.22 131.40 0.76 99.24 0.00 0.71 0.01 0.00 0.00 0.00 0.00 99.27 0.00 40 Q E E 53.57 12.15 16.47 29.67 129.10 -175.76 -127.27 145.71 0.36 99.64 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 41 I E E 73.31 10.46 19.92 31.05 117.63 -136.00 -99.86 130.51 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 42 F E E 14.77 20.73 16.75 37.73 130.02 -174.85 -126.80 148.82 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 43 E E E 70.85 11.05 25.41 36.51 123.87 -149.08 -114.67 138.40 0.43 99.57 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 44 G E E 3.94 18.95 22.51 41.55 145.18 125.71 -167.40 -173.00 0.91 99.09 0.00 0.65 0.07 0.00 0.00 0.00 0.00 99.27 0.00 45 V E E 31.58 12.95 26.27 40.24 122.64 -72.85 -111.81 136.82 0.30 99.70 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.74 0.00 46 V E E 6.52 24.18 17.87 43.02 109.48 -117.83 -75.27 124.39 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 47 I E E 44.29 12.30 23.39 36.40 100.79 174.21 -99.28 -31.38 0.53 99.47 0.00 0.38 0.06 0.00 0.00 0.00 0.00 99.55 0.00 48 K E E 80.35 6.78 25.24 32.98 141.42 -0.84 -157.18 151.55 0.46 99.54 0.00 0.35 0.04 0.00 0.00 0.00 0.00 99.61 0.00 49 R E E 78.88 19.43 13.71 31.75 124.46 -156.90 -125.11 131.85 2.37 97.62 0.00 2.26 0.08 0.01 0.00 0.00 0.00 97.56 0.10 50 R E E 124.60 5.35 18.01 24.53 123.81 -172.72 -122.27 140.82 30.42 69.54 0.05 25.38 3.75 0.33 0.01 0.04 0.00 69.96 0.53 51 G C C 51.04 2.84 15.11 18.95 119.42 10.82 94.99 -167.72 79.43 20.44 0.13 49.16 26.39 2.67 0.01 0.16 0.00 21.06 0.55 52 G C C 51.91 3.86 12.55 18.10 121.89 98.11 -142.40 162.28 90.65 9.01 0.34 44.85 41.91 4.25 0.05 0.39 0.00 7.06 1.49 53 G C S 49.61 2.31 14.59 17.60 119.75 8.29 82.48 -154.98 94.89 2.34 2.77 6.78 71.11 17.29 0.21 2.35 0.00 1.34 0.92 54 I C T 122.98 4.87 13.67 19.61 94.56 -34.41 -74.14 -21.31 94.39 1.01 4.60 3.07 39.73 51.11 0.14 5.02 0.00 0.61 0.31 55 S C T 56.70 7.95 15.56 24.42 100.56 51.19 -96.57 8.71 84.32 11.72 3.96 14.89 25.73 42.73 0.13 5.05 0.00 10.86 0.61 56 E C C 42.62 13.66 15.16 29.83 117.81 115.79 -89.06 139.51 64.88 34.46 0.67 59.14 3.48 0.84 0.06 0.58 0.00 35.46 0.44 57 T E E 32.15 12.20 21.56 34.56 131.08 -171.84 -128.21 150.18 8.18 91.81 0.02 7.31 0.48 0.02 0.00 0.01 0.00 91.98 0.19 58 F E E 11.47 22.13 18.86 41.24 125.25 -155.09 -117.25 138.59 0.46 99.54 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 59 T E E 22.20 12.66 25.27 39.02 120.56 -154.56 -112.65 134.60 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 60 V E E 5.00 23.83 19.28 43.63 122.03 -164.21 -114.30 133.39 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 61 R E E 61.24 12.95 23.47 36.49 124.45 -166.57 -115.44 135.99 0.48 99.52 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 62 K E E 49.30 14.71 18.47 33.37 127.51 -165.19 -121.58 143.00 1.50 98.50 0.00 1.21 0.13 0.01 0.00 0.00 0.00 98.64 0.02 63 I E E 64.56 10.83 16.18 28.22 116.49 -142.05 -104.94 125.24 5.29 94.68 0.03 4.37 0.62 0.06 0.01 0.02 0.00 94.79 0.13 64 S E E 43.96 9.05 11.93 22.65 126.57 168.99 -135.71 137.77 11.72 88.07 0.22 8.30 2.77 0.85 0.05 0.17 0.00 87.01 0.86 65 Y C T 196.63 1.21 13.89 15.06 93.52 -13.89 51.40 45.24 98.71 0.84 0.45 0.98 8.61 89.19 0.02 0.44 0.00 0.65 0.12 66 G C T 59.45 1.96 13.33 15.83 95.35 -47.81 81.75 0.43 99.39 0.32 0.28 0.94 8.61 89.85 0.01 0.30 0.00 0.24 0.04 67 V E E 73.44 6.14 14.35 22.22 122.68 104.39 -113.21 134.20 7.77 92.18 0.06 5.06 2.14 0.34 0.01 0.04 0.00 92.01 0.38 68 G E E 27.01 12.73 13.75 26.97 119.80 -142.40 -91.47 144.55 3.09 96.90 0.01 2.43 0.31 0.02 0.00 0.00 0.00 97.20 0.04 69 V E E 40.35 12.01 18.18 31.53 124.24 -166.23 -124.39 135.49 0.96 99.04 0.00 0.86 0.03 0.00 0.00 0.00 0.00 99.09 0.01 70 E E E 80.16 14.05 17.81 31.64 122.47 -157.40 -111.77 133.90 0.85 99.15 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.26 0.00 71 R E E 69.05 13.34 19.95 33.47 130.34 -175.34 -132.09 144.36 0.28 99.72 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 72 T E E 56.50 13.45 20.69 33.90 122.38 -150.57 -115.81 132.85 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 73 F E E 20.74 19.01 18.25 37.50 128.78 -173.49 -130.83 142.07 0.72 99.28 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.31 0.01 74 P E E 44.87 8.78 23.78 33.35 113.05 -106.52 -66.92 143.09 7.63 92.35 0.02 6.57 0.59 0.10 0.00 0.01 0.00 92.50 0.22 75 V C T 23.51 21.96 16.05 37.41 93.22 -118.33 -62.84 -26.87 93.88 4.98 1.14 9.76 14.84 69.19 0.10 1.20 0.00 4.46 0.44 76 H C T 96.66 9.35 22.24 32.07 94.88 59.40 -87.51 4.71 97.29 1.89 0.82 9.17 17.51 70.42 0.06 1.01 0.00 1.49 0.34 77 T C C 21.11 17.48 14.59 32.71 112.34 125.11 -72.86 132.00 96.16 2.95 0.89 66.00 29.36 1.03 0.26 0.67 0.00 1.51 1.17 78 P C T 79.02 6.57 21.11 28.64 92.70 -128.51 -65.04 -21.38 93.32 1.83 4.84 5.43 15.37 72.61 1.58 3.28 0.05 1.26 0.42 79 K C T 72.28 12.91 19.80 32.53 96.18 61.19 -84.80 -3.61 85.09 10.45 4.47 6.87 8.91 69.45 1.48 3.09 0.02 9.61 0.57 80 I E E 11.54 24.31 12.51 36.71 110.42 106.05 -82.92 118.50 8.90 88.74 2.36 8.12 0.66 0.24 1.69 0.57 0.00 87.98 0.75 81 A E E 53.24 6.46 22.47 29.55 99.48 176.45 -90.80 -34.29 7.81 90.82 1.38 5.92 1.14 0.33 0.89 0.32 0.00 91.29 0.12 82 K E E 91.09 5.46 24.95 31.26 140.26 -0.55 -154.14 150.66 2.21 97.32 0.47 1.64 0.20 0.09 0.20 0.09 0.00 97.73 0.02 83 I E E 19.57 24.32 13.32 37.30 123.32 -160.11 -127.19 128.74 1.49 98.02 0.49 1.32 0.06 0.04 0.36 0.05 0.00 98.14 0.02 84 E E E 84.83 5.84 25.40 31.44 121.42 -169.28 -121.07 130.27 1.30 98.39 0.31 1.13 0.06 0.03 0.26 0.03 0.00 98.47 0.02 85 V E E 43.94 18.36 14.48 32.42 111.83 -133.93 -85.14 122.79 3.25 96.31 0.43 3.06 0.11 0.06 0.36 0.07 0.00 96.26 0.08 86 V E E 66.53 7.56 19.06 27.75 102.05 175.55 -97.40 -31.58 15.35 83.29 1.36 12.93 1.74 0.52 0.86 0.42 0.00 83.25 0.27 87 R E E 109.88 5.98 19.85 26.89 135.34 0.27 -148.72 147.89 27.23 70.48 2.29 21.89 4.35 1.15 1.36 0.83 0.00 69.86 0.55 88 Y C C 113.13 13.62 13.74 27.15 120.70 -155.73 -113.03 132.97 56.16 40.23 3.61 46.32 6.29 2.18 2.04 1.36 0.00 40.74 1.07 89 G C C 27.41 9.56 14.89 25.27 128.52 167.00 -125.94 172.08 80.32 10.55 9.13 51.87 21.32 7.25 6.58 2.57 0.01 9.12 1.28 90 K C C 147.39 2.81 17.59 20.98 109.90 -78.68 -88.58 118.26 74.70 7.02 18.29 51.55 16.34 6.54 15.04 3.89 0.01 5.11 1.50 91 V C C 52.72 14.21 11.01 25.06 116.85 -152.60 -98.94 132.99 65.29 5.80 28.91 51.15 8.35 5.36 24.37 5.25 0.01 4.12 1.38 92 R C C 130.82 5.99 16.17 23.09 108.88 -149.37 -85.34 123.99 62.66 4.08 33.26 48.06 8.21 6.20 27.21 6.47 0.01 2.75 1.07 93 R C H 124.64 8.99 15.12 24.62 99.45 -106.90 -74.56 -24.15 49.14 3.05 47.81 32.55 8.92 7.97 35.85 11.88 0.03 1.99 0.82 94 A H H 48.93 9.22 14.95 25.14 98.97 68.35 -70.30 -26.50 45.64 2.30 52.06 28.05 7.75 9.50 37.99 14.53 0.02 1.57 0.58 95 K H H 98.93 8.57 17.39 26.47 98.11 60.73 -75.47 -17.46 45.13 3.02 51.85 28.60 6.66 9.66 37.50 14.60 0.03 2.23 0.72 96 L H H 38.79 16.26 14.02 30.05 96.78 69.42 -74.28 -22.19 32.84 4.12 63.04 23.74 4.43 5.20 45.73 16.87 0.02 3.40 0.61 97 Y H H 100.63 8.30 18.08 27.11 93.61 68.04 -66.90 -34.68 21.57 4.60 73.83 9.78 3.63 8.17 48.97 24.69 0.06 4.24 0.48 98 Y H H 89.78 8.61 17.66 27.14 95.46 54.43 -72.65 -26.28 21.33 5.33 73.34 8.57 3.42 9.19 46.32 26.95 0.09 4.90 0.55 99 L H H 35.24 16.64 13.54 30.02 95.62 64.75 -77.14 -18.52 18.99 5.00 76.01 9.52 3.08 6.53 45.32 30.48 0.06 4.48 0.52 100 R H H 115.74 9.19 15.72 25.79 92.70 83.10 -66.92 -29.31 34.61 4.45 60.94 8.38 4.98 19.68 37.54 24.51 0.26 3.76 0.88 101 E C T 130.88 2.86 17.95 20.84 97.83 50.25 -91.56 -0.38 51.90 2.39 45.72 11.02 6.99 32.33 25.88 21.17 0.11 1.74 0.76 102 L C C 46.94 15.99 8.77 24.11 112.22 126.22 -77.24 130.52 77.36 2.65 20.00 57.08 12.96 6.68 16.35 4.43 0.00 1.42 1.08 103 R C C 162.17 2.76 15.80 19.54 114.93 -163.21 -101.05 135.91 72.80 3.01 24.19 43.39 13.10 14.65 22.94 3.14 0.02 1.53 1.24 104 G C H 37.83 4.32 16.32 21.42 121.14 11.87 91.18 -169.85 62.22 1.40 36.38 19.84 22.16 20.00 32.82 3.87 0.05 0.65 0.61 105 K H H 119.38 6.34 15.11 22.55 94.32 -47.70 -66.37 -35.03 19.20 0.77 80.03 8.15 4.73 7.80 71.68 6.84 0.05 0.52 0.23 106 A H H 44.41 8.17 14.29 23.98 92.11 55.51 -64.86 -37.97 13.64 1.20 85.17 6.44 2.40 5.66 76.27 7.92 0.04 1.05 0.22 107 A H H 38.93 6.19 14.99 23.12 92.62 53.08 -65.47 -38.55 11.89 1.76 86.34 6.97 1.93 3.96 77.27 7.92 0.02 1.68 0.24 108 R H H 112.10 5.63 16.81 23.34 92.95 52.82 -67.66 -37.05 14.53 3.05 82.42 9.14 2.48 4.46 75.16 5.51 0.04 2.77 0.45 109 I H H 57.61 10.03 13.75 25.02 94.27 53.46 -67.50 -38.62 16.35 3.47 80.18 10.78 2.69 4.39 74.22 4.32 0.04 3.05 0.51 110 K H H 112.49 4.83 15.37 21.19 94.68 54.44 -69.06 -36.13 20.77 3.43 75.79 13.06 3.25 5.76 69.90 4.53 0.04 2.91 0.56 111 E H H 109.75 4.02 13.80 18.89 96.01 56.03 -71.94 -28.05 28.40 3.16 68.44 15.55 4.54 9.31 62.49 4.98 0.05 2.45 0.63 112 I H H 88.56 7.64 10.84 19.59 98.47 60.29 -76.65 -22.35 39.56 3.13 57.31 21.60 6.62 12.30 52.48 4.05 0.05 2.04 0.85 113 R C C 147.02 4.49 10.71 16.79 102.90 66.73 -82.76 19.80 62.90 1.97 35.13 43.95 1.65 15.50 34.54 2.42 0.00 1.15 0.79 114 R C C 156.66 3.61 12.13 17.34 104.93 70.98 -81.85 53.46 99.83 0.04 0.13 99.64 0.08 0.15 0.10 0.00 0.00 0.02 0.00