# 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 92.72 9.79 12.36 22.91 117.41 -165.11 -98.01 133.95 99.84 0.14 0.02 99.80 0.07 0.03 0.01 0.00 0.00 0.07 0.01 1 D C C 90.81 5.09 12.25 18.93 112.38 -137.98 -91.41 124.99 84.35 9.46 6.19 79.66 1.50 3.80 3.45 1.96 0.00 7.85 1.78 2 K C C 122.75 6.74 11.83 19.86 104.50 -162.56 -85.36 8.77 61.73 23.40 14.86 37.20 13.97 11.65 7.00 7.06 0.05 21.23 1.84 3 K C E 108.08 7.96 14.04 22.93 108.16 101.65 -87.82 97.01 47.28 36.83 15.89 27.53 12.47 8.98 7.46 7.25 0.09 34.73 1.50 4 K E E 95.15 9.83 16.71 27.03 115.01 84.98 -98.90 126.69 31.70 55.41 12.89 22.62 6.20 4.29 6.87 5.09 0.03 53.75 1.15 5 L E E 41.53 15.92 16.52 32.48 117.49 -147.93 -100.66 130.93 19.36 73.79 6.85 15.16 2.64 1.64 4.24 2.04 0.01 73.58 0.70 6 L E E 44.63 15.42 19.59 34.83 116.06 -163.98 -102.85 127.40 11.13 85.03 3.84 8.36 1.64 0.89 2.32 0.97 0.00 85.48 0.34 7 Y E E 58.47 15.33 20.12 35.35 124.92 -168.97 -119.35 138.08 5.93 91.84 2.23 4.44 0.78 0.51 1.28 0.55 0.00 92.21 0.21 8 W E E 79.76 14.13 18.72 32.99 117.91 -149.16 -103.68 129.29 6.20 92.30 1.50 4.83 0.76 0.51 0.86 0.42 0.00 92.30 0.30 9 V E E 42.87 14.68 16.43 31.32 117.74 -170.34 -112.20 126.95 18.29 79.63 2.09 12.87 3.38 2.30 1.00 0.90 0.00 78.86 0.68 10 G C T 36.87 9.24 17.30 26.80 108.45 -29.96 58.82 58.01 67.48 26.38 6.13 14.24 13.25 40.81 2.05 3.29 0.03 25.18 1.16 11 G C T 48.46 6.41 17.96 24.72 99.89 -11.33 63.28 13.32 86.55 3.26 10.19 9.52 15.39 61.97 5.20 4.59 0.02 2.59 0.72 12 G C T 33.11 11.39 17.94 28.92 104.34 -40.30 89.58 -0.94 66.30 22.00 11.70 12.09 16.91 38.78 6.70 4.40 0.12 19.41 1.57 13 L E E 44.72 15.62 17.81 33.41 117.71 118.77 -97.97 132.85 20.25 72.23 7.52 13.94 3.58 2.32 7.23 1.34 0.01 70.41 1.17 14 V E E 27.96 17.45 20.86 38.02 118.21 -158.28 -105.99 128.35 6.52 87.32 6.16 4.94 0.70 0.47 6.78 0.45 0.00 86.29 0.37 15 L E E 25.81 18.92 22.58 40.66 115.14 -157.85 -99.60 124.24 3.71 89.26 7.03 2.75 0.32 0.26 7.66 0.33 0.00 88.52 0.15 16 I E E 21.18 19.93 23.30 42.23 116.21 -161.56 -103.08 124.92 2.86 88.47 8.67 2.09 0.20 0.18 9.31 0.34 0.00 87.77 0.12 17 I E E 20.94 20.18 23.89 42.79 113.07 -159.32 -98.80 122.56 3.84 81.97 14.19 2.69 0.30 0.31 14.51 0.73 0.00 81.31 0.15 18 I E E 21.60 20.37 23.41 42.27 108.19 -161.67 -89.92 72.08 5.61 71.57 22.82 3.74 0.59 0.67 22.04 1.46 0.00 71.26 0.23 19 W E E 48.82 17.61 23.02 39.42 105.07 52.73 -86.14 -0.24 8.43 59.48 32.09 5.39 1.10 1.41 29.26 2.99 0.01 59.46 0.37 20 L E E 31.64 16.87 21.69 37.77 106.22 72.09 -88.50 33.31 13.13 46.35 40.53 7.86 2.14 3.08 35.16 5.36 0.05 45.66 0.68 21 W H E 58.15 15.52 20.32 35.28 106.49 56.39 -88.88 51.91 20.20 37.89 41.91 10.92 3.84 6.05 35.26 6.77 0.16 35.80 1.19 22 F H H 51.69 16.18 17.55 33.03 105.71 54.22 -90.88 45.84 31.22 30.81 37.97 15.52 6.18 10.83 31.20 6.69 0.44 26.92 2.22 23 R C T 106.95 10.57 17.26 27.79 102.47 54.36 -80.21 -3.69 60.63 12.31 27.06 15.72 11.30 33.44 22.69 4.81 0.26 10.15 1.65 24 N C T 98.12 6.67 17.34 24.68 100.81 27.30 -87.61 21.33 77.83 4.39 17.78 19.48 19.56 39.06 14.22 3.51 0.06 3.13 0.98 25 R C C 92.98 10.69 14.86 26.25 118.75 110.54 -105.23 135.91 86.09 5.84 8.07 44.34 36.94 4.84 7.28 1.47 0.01 3.54 1.58 26 P C C 60.09 9.10 17.70 27.55 110.07 -110.55 -67.07 146.52 70.66 4.38 24.96 52.61 7.58 9.00 21.77 4.80 0.00 3.12 1.13 27 A H H 40.46 15.01 15.48 29.88 97.21 -115.73 -68.65 -30.61 39.49 7.93 52.58 24.83 7.35 8.52 41.63 9.82 0.08 6.45 1.32 28 A H H 48.45 9.94 17.32 27.66 97.77 65.73 -71.82 -29.87 24.78 13.65 61.58 15.10 4.68 6.36 48.73 11.08 0.13 12.67 1.24 29 Q H H 89.26 7.30 19.38 27.04 97.66 59.89 -74.53 -29.26 20.35 18.75 60.90 12.83 3.49 4.94 49.18 9.92 0.10 18.24 1.29 30 V H H 37.40 15.37 15.90 30.99 98.22 56.12 -75.50 -32.88 20.83 19.39 59.78 13.04 3.67 5.30 50.47 7.49 0.12 18.40 1.51 31 A H H 37.43 13.49 15.95 29.36 99.10 57.17 -76.68 -21.97 29.15 13.97 56.88 17.13 5.03 8.04 46.28 8.95 0.13 12.91 1.53 32 S H H 65.60 6.35 17.10 24.19 100.69 66.38 -79.49 -15.54 44.92 8.48 46.61 15.66 8.46 21.19 35.66 10.26 0.31 6.80 1.67 33 N C T 93.91 6.27 16.60 23.74 101.31 49.52 -92.22 17.62 58.96 7.07 33.98 20.98 10.73 27.65 24.54 9.19 0.15 5.08 1.70 34 W C C 88.28 14.61 10.90 25.13 110.90 125.13 -89.15 121.41 69.37 13.50 17.12 43.66 12.40 13.23 12.17 5.29 0.05 9.65 3.54 35 E C C 134.97 3.09 16.09 20.30 109.73 -144.62 -94.70 91.98 77.16 14.75 8.10 43.00 20.12 14.95 5.02 3.05 0.03 9.93 3.90 36 G C S 34.35 6.59 16.02 23.63 131.28 18.26 135.19 175.71 91.07 8.16 0.76 31.96 54.04 5.53 0.19 0.54 0.00 6.21 1.52 37 P C C 71.13 7.10 16.18 24.47 114.91 -34.15 -70.41 148.15 94.08 3.83 2.09 53.98 31.03 9.38 0.56 1.47 0.00 2.75 0.84 38 P C C 58.32 12.62 15.54 28.33 109.72 -105.02 -69.17 142.85 85.83 8.59 5.58 47.26 22.09 17.03 1.52 3.81 0.00 6.93 1.37 39 Y E E 92.03 12.41 17.79 30.24 115.99 -161.49 -102.68 135.21 45.14 46.56 8.30 27.80 11.31 8.78 3.86 4.68 0.19 38.61 4.77 40 M E E 52.33 15.12 16.77 31.96 119.47 -163.15 -106.77 133.45 31.52 61.64 6.83 22.57 6.76 4.26 3.79 3.23 0.07 56.38 2.95 41 T E E 50.20 11.71 18.90 31.12 121.43 -164.33 -113.56 135.73 26.60 67.89 5.51 19.80 4.96 3.33 3.06 2.53 0.03 63.57 2.71 42 Y E E 77.49 13.81 15.82 29.85 117.19 -159.66 -107.19 130.57 35.40 60.34 4.26 22.28 9.38 6.82 1.82 2.41 0.05 54.78 2.46 43 N C E 84.55 7.92 17.17 25.86 110.15 -157.79 -100.85 104.12 60.02 37.50 2.48 30.84 21.41 9.63 0.65 1.74 0.03 33.80 1.90 44 Q C C 75.85 10.24 13.02 24.24 116.22 -155.37 -101.08 127.41 76.76 21.72 1.51 48.29 23.91 5.12 0.40 1.17 0.00 18.70 2.41 45 P C C 82.59 6.72 12.86 20.94 102.35 -126.72 -67.03 -1.48 84.58 7.74 7.67 36.61 17.28 31.13 1.34 6.28 0.00 6.20 1.17 46 Q C T 127.45 3.20 13.20 17.50 103.31 57.59 -85.66 9.16 81.32 8.75 9.93 25.54 21.17 35.66 1.73 7.79 0.02 6.10 1.99 47 A C T 68.53 6.34 12.72 20.28 108.89 47.59 -90.80 107.53 80.01 10.67 9.33 22.15 24.01 35.10 1.50 7.38 0.02 7.84 2.00 48 G C C 35.95 7.71 14.98 23.64 120.19 63.01 137.34 174.28 70.59 25.96 3.45 26.50 23.68 22.36 0.52 2.78 0.01 22.60 1.54 49 S E E 60.17 9.22 16.21 26.07 120.45 -114.21 -104.96 141.94 45.80 52.13 2.07 33.67 9.29 3.88 0.58 1.55 0.01 48.76 2.26 50 V E E 42.46 15.02 14.87 30.27 123.68 -165.00 -118.93 135.77 24.35 74.72 0.92 19.57 4.26 1.26 0.41 0.57 0.00 71.26 2.67 51 T E E 70.02 8.90 20.22 29.71 119.62 -153.52 -108.50 130.72 24.20 75.12 0.68 19.37 4.49 1.06 0.30 0.42 0.00 71.53 2.83 52 L C E 33.44 17.47 14.62 32.15 118.63 -161.49 -107.53 128.63 50.68 48.77 0.55 41.95 7.23 0.91 0.17 0.37 0.00 47.80 1.56 53 P C C 65.04 7.65 19.24 27.66 110.42 -125.00 -71.97 138.42 61.75 36.34 1.91 48.20 9.36 3.41 0.50 1.41 0.00 35.25 1.86 54 V C C 55.08 13.64 13.32 27.01 113.85 -150.30 -98.53 126.30 64.37 27.93 7.70 41.69 13.62 9.14 2.51 5.54 0.10 18.78 8.62 55 A C T 71.26 6.12 14.98 22.25 107.58 -100.24 -73.96 113.99 78.03 15.43 6.54 16.06 15.41 47.66 1.23 5.03 0.04 11.13 3.44 56 G C T 54.78 3.16 15.45 19.37 101.15 10.38 84.34 -0.41 87.17 8.41 4.41 15.99 19.82 51.84 0.61 3.76 0.01 6.61 1.36 57 Y C C 100.59 11.27 10.84 22.56 117.36 116.24 -97.67 133.39 75.03 21.91 3.06 47.23 18.40 9.60 0.85 2.54 0.01 14.87 6.50 58 T C C 92.83 4.78 15.13 21.30 112.82 -158.54 -99.55 122.34 78.58 19.90 1.52 46.91 25.70 6.55 0.44 1.26 0.00 14.18 4.96 59 S C C 52.72 10.01 13.92 24.80 119.11 -138.14 -101.38 134.88 83.27 15.27 1.45 50.75 30.53 2.81 0.45 1.02 0.00 11.32 3.12 60 P C C 66.22 10.23 15.24 26.14 109.24 -118.81 -70.57 145.01 78.90 12.63 8.47 49.24 16.40 13.20 1.74 6.87 0.00 10.99 1.56 61 S C C 64.63 8.22 17.07 25.98 116.66 -139.14 -96.98 136.62 58.31 30.28 11.41 37.80 10.54 11.40 2.92 8.11 0.03 26.15 3.05 62 L C E 53.08 15.90 13.82 29.43 117.17 -156.43 -104.44 130.28 46.72 43.04 10.24 32.60 9.44 6.26 4.09 6.23 0.07 36.72 4.60 63 T C E 78.02 6.84 19.41 27.09 119.20 -160.54 -107.83 132.21 50.98 44.10 4.92 36.26 10.48 4.30 2.45 2.92 0.06 36.78 6.76 64 L C C 47.28 16.13 12.39 28.41 117.04 -141.88 -95.09 132.70 78.62 19.68 1.70 59.66 16.00 2.70 0.67 1.05 0.00 17.24 2.68 65 P C C 67.25 7.29 15.81 24.34 109.30 -112.54 -68.37 146.42 83.52 9.86 6.63 50.22 15.46 18.14 1.93 4.51 0.00 8.11 1.62 66 N C C 96.88 6.63 13.48 21.16 107.91 -107.85 -84.27 97.06 83.23 6.56 10.21 44.26 18.06 21.54 2.98 6.94 0.01 3.84 2.37 67 R C C 144.13 5.81 12.69 19.85 101.56 137.09 -82.25 6.46 80.08 5.90 14.02 34.66 20.89 25.74 4.39 8.79 0.03 3.21 2.30 68 N C C 94.61 6.28 12.21 19.74 105.74 76.08 -89.38 62.81 81.30 6.16 12.54 37.69 20.39 24.13 4.09 7.87 0.02 3.61 2.19 69 R C C 138.94 6.23 12.58 20.24 106.37 141.09 -88.33 57.34 77.19 9.41 13.40 47.00 16.93 13.74 4.77 8.42 0.02 6.01 3.11 70 S C C 71.18 5.82 13.73 20.80 109.31 87.36 -91.69 106.58 76.97 12.25 10.78 48.91 14.13 13.97 3.64 7.21 0.01 8.28 3.84 71 C C C 66.99 9.95 12.68 23.30 109.78 97.29 -94.28 90.61 78.30 13.13 8.56 42.83 17.67 18.45 2.49 5.85 0.02 8.92 3.76 72 G C C 42.04 7.02 16.19 23.99 112.47 -140.37 73.52 157.58 81.47 14.22 4.30 43.37 23.28 15.30 1.21 3.13 0.01 10.14 3.56 73 C C C 60.09 12.51 12.35 24.89 115.22 -134.45 -94.84 132.20 84.06 13.83 2.11 56.46 23.94 3.44 1.07 1.13 0.00 6.77 7.18 74 N C C 65.90 8.63 14.87 24.64 114.74 -121.90 -85.69 135.03 98.06 1.35 0.60 90.26 7.69 0.28 0.53 0.09 0.00 0.63 0.51 75 P H H 95.53 3.36 16.19 20.66 92.85 -124.13 -60.78 -35.00 8.49 0.06 91.44 2.41 1.21 4.92 89.50 1.89 0.01 0.04 0.03 76 A H H 56.02 6.27 17.30 24.30 92.62 54.21 -65.98 -38.49 4.90 0.07 95.03 1.10 0.58 3.21 93.21 1.82 0.02 0.05 0.02 77 V H H 33.40 14.63 15.16 30.06 93.53 48.72 -67.58 -40.58 2.08 0.09 97.83 0.92 0.30 1.00 96.18 1.51 0.00 0.07 0.01 78 S H H 46.74 7.55 18.77 27.16 92.49 52.66 -63.96 -41.67 1.41 0.05 98.54 0.66 0.18 0.61 97.80 0.71 0.00 0.03 0.01 79 A H H 56.21 3.26 21.45 24.24 92.35 50.36 -64.85 -41.31 1.65 0.06 98.29 0.61 0.19 0.84 97.75 0.56 0.01 0.04 0.01 80 A H H 31.36 10.83 18.36 30.10 92.52 50.64 -65.17 -41.39 2.21 0.08 97.71 0.76 0.25 1.18 97.12 0.62 0.01 0.06 0.01 81 M H H 62.19 13.20 18.36 31.41 92.39 50.63 -64.58 -40.92 3.92 0.10 95.97 1.25 0.45 2.14 95.29 0.77 0.01 0.06 0.02 82 A H H 58.07 3.81 21.73 25.38 92.38 50.89 -64.67 -40.62 7.69 0.12 92.19 2.04 0.85 4.55 91.55 0.88 0.02 0.06 0.04 83 Q H H 94.16 4.30 21.50 25.65 92.51 49.20 -66.56 -38.94 17.04 0.19 82.77 3.37 1.93 11.22 82.28 1.00 0.03 0.08 0.09 84 G H H 15.59 13.92 16.34 30.80 93.42 52.79 -65.49 -39.86 18.77 0.18 81.06 7.73 2.14 8.50 80.53 0.93 0.01 0.07 0.09 85 A H H 49.98 7.12 19.32 27.13 92.35 52.88 -63.95 -40.93 4.79 0.05 95.16 2.29 0.64 1.87 94.39 0.76 0.00 0.02 0.01 86 D H H 90.84 2.11 22.31 23.05 92.43 49.79 -65.48 -40.71 3.27 0.07 96.66 1.49 0.41 1.46 95.80 0.78 0.01 0.04 0.02 87 L H H 60.61 8.10 19.32 28.35 92.31 49.83 -65.49 -41.37 1.89 0.05 98.06 0.82 0.24 0.86 97.38 0.65 0.00 0.03 0.01 88 A H H 29.98 12.41 16.92 30.05 92.23 51.52 -63.62 -41.44 1.22 0.02 98.75 0.52 0.14 0.54 98.42 0.36 0.00 0.01 0.00 89 S H H 58.43 3.34 20.63 23.84 91.94 50.84 -64.17 -41.02 1.49 0.02 98.49 0.49 0.16 0.77 98.23 0.32 0.00 0.01 0.00 90 K H H 114.41 2.60 20.95 22.83 92.16 49.64 -65.22 -41.17 1.54 0.02 98.44 0.47 0.17 0.83 98.18 0.32 0.00 0.01 0.00 91 L H H 54.32 10.41 17.48 28.66 92.55 49.78 -65.34 -41.68 1.53 0.02 98.45 0.54 0.18 0.76 98.22 0.27 0.00 0.01 0.00 92 T H H 57.16 8.51 17.86 27.15 92.21 50.42 -64.17 -41.48 1.60 0.02 98.38 0.56 0.19 0.79 98.23 0.22 0.00 0.01 0.00 93 E H H 116.42 1.89 20.32 20.96 92.08 49.70 -64.97 -41.16 1.95 0.02 98.03 0.54 0.22 1.09 97.87 0.26 0.00 0.01 0.01 94 S H H 53.77 3.83 19.22 23.37 92.38 49.36 -65.70 -41.25 3.20 0.04 96.76 0.91 0.36 1.82 96.55 0.34 0.01 0.02 0.01 95 I H H 52.41 10.35 16.27 27.60 92.50 49.23 -65.34 -41.90 2.24 0.02 97.73 0.80 0.29 1.09 97.52 0.29 0.00 0.01 0.01 96 S H H 53.04 5.26 17.88 24.09 91.87 51.36 -63.54 -41.43 1.58 0.02 98.41 0.51 0.17 0.81 98.23 0.27 0.00 0.01 0.00 97 S H H 63.39 1.85 19.60 19.99 92.02 50.03 -64.66 -41.05 2.07 0.02 97.91 0.49 0.20 1.25 97.69 0.35 0.01 0.01 0.00 98 Q H H 87.50 4.61 18.26 23.50 92.42 49.66 -65.88 -40.72 2.57 0.02 97.41 0.58 0.28 1.60 97.12 0.39 0.01 0.01 0.01 99 L H H 63.12 9.13 15.44 25.55 92.18 50.60 -64.77 -41.04 2.15 0.02 97.83 0.62 0.27 1.17 97.63 0.29 0.00 0.01 0.01 100 N H H 90.60 2.72 18.15 20.92 91.64 50.76 -64.39 -40.65 1.89 0.02 98.09 0.53 0.19 1.06 97.90 0.30 0.00 0.01 0.00 101 N H H 94.07 1.78 19.08 19.55 92.22 49.79 -65.60 -40.95 2.15 0.02 97.83 0.45 0.21 1.38 97.58 0.35 0.01 0.01 0.00 102 Y H H 103.23 5.75 17.26 23.82 92.41 49.44 -65.37 -41.58 1.72 0.02 98.26 0.43 0.21 1.02 98.00 0.32 0.01 0.01 0.00 103 A H H 43.67 6.58 15.65 23.69 92.01 50.71 -64.20 -41.51 1.26 0.02 98.72 0.35 0.15 0.70 98.52 0.27 0.00 0.01 0.00 104 E H H 111.59 1.84 18.67 19.44 91.98 50.10 -64.83 -41.28 2.15 0.02 97.83 0.42 0.20 1.40 97.54 0.40 0.01 0.01 0.01 105 S H H 57.12 2.71 17.79 20.44 91.95 49.82 -65.15 -41.02 4.19 0.03 95.78 0.70 0.39 2.88 95.46 0.53 0.01 0.01 0.01 106 L H H 70.02 6.63 15.26 23.06 92.31 50.27 -65.09 -40.69 3.64 0.03 96.33 1.01 0.48 2.04 95.85 0.58 0.01 0.01 0.01 107 N H H 86.72 3.54 16.50 20.83 91.92 51.35 -64.12 -40.54 2.58 0.03 97.38 0.88 0.30 1.35 96.85 0.58 0.01 0.02 0.01 108 D H H 91.25 1.62 17.43 17.97 92.43 50.17 -65.60 -40.68 2.50 0.04 97.46 0.78 0.28 1.40 96.80 0.69 0.01 0.02 0.01 109 Y H H 116.56 3.38 15.88 19.85 92.69 49.81 -65.26 -42.01 2.50 0.06 97.44 0.78 0.30 1.46 96.57 0.83 0.02 0.04 0.01 110 L H H 78.19 4.77 13.86 19.99 92.29 49.74 -65.30 -40.70 3.12 0.07 96.82 0.91 0.38 1.84 95.89 0.92 0.01 0.04 0.01 111 A H H 61.97 2.28 13.47 16.39 92.50 51.33 -65.06 -38.95 6.64 0.09 93.27 1.63 0.77 4.18 91.74 1.58 0.02 0.05 0.03 112 S H H 77.59 1.50 12.85 14.40 93.73 51.60 -68.90 -34.36 15.74 0.13 84.13 2.65 1.57 11.16 82.06 2.39 0.03 0.07 0.06 113 Q H H 122.43 2.49 10.79 14.38 95.77 53.91 -73.21 -25.39 26.78 0.32 72.89 5.08 3.57 18.50 69.63 2.83 0.06 0.15 0.17 114 A C H 78.70 2.63 9.33 13.45 98.70 59.97 -80.08 -9.17 51.25 1.19 47.56 11.10 7.87 32.38 44.70 2.77 0.08 0.52 0.58 115 G C C 60.69 1.32 11.11 13.02 101.89 -57.98 63.20 5.05 87.21 0.78 12.01 42.96 2.18 41.01 11.83 1.25 0.00 0.38 0.38 116 V C C 96.16 4.68 10.04 16.46 108.09 112.01 -87.09 91.57 99.91 0.07 0.02 99.84 0.07 0.04 0.01 0.00 0.00 0.03 0.01