# 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 115.54 5.63 11.08 18.24 115.99 -153.72 -95.18 131.66 99.73 0.23 0.04 99.60 0.16 0.07 0.01 0.00 0.00 0.12 0.03 1 A C C 75.11 4.03 9.45 15.30 113.76 -136.83 -85.58 141.50 90.09 2.87 7.04 82.86 1.58 7.01 2.02 3.65 0.00 2.03 0.86 2 D C C 115.86 2.35 10.62 14.27 107.04 -135.15 -89.86 81.08 86.74 4.75 8.51 61.70 12.34 12.73 1.96 6.69 0.00 3.54 1.04 3 C C C 81.75 5.98 9.19 16.67 113.64 125.59 -103.87 119.73 82.45 8.88 8.67 61.61 12.05 8.59 2.06 6.79 0.00 7.67 1.23 4 R C C 149.22 4.09 11.88 17.50 115.43 -158.29 -100.16 127.63 71.32 22.55 6.13 55.42 10.71 4.86 2.22 3.85 0.01 20.30 2.64 5 V C C 78.47 9.42 9.78 20.22 117.80 -155.43 -102.32 130.99 60.53 36.65 2.81 52.46 5.36 1.80 1.38 1.41 0.00 33.98 3.60 6 T C C 82.28 4.68 14.25 20.46 121.38 -165.06 -113.43 137.00 56.92 41.11 1.97 49.71 4.96 1.41 1.03 0.97 0.00 38.51 3.40 7 C C C 71.73 8.99 10.71 20.96 118.77 -150.96 -101.44 134.17 63.50 34.83 1.67 53.29 7.55 1.80 0.79 0.94 0.00 32.54 3.09 8 R C C 136.55 5.19 12.92 19.73 119.57 -161.28 -109.44 138.23 75.39 23.07 1.55 62.81 9.28 2.35 0.62 0.93 0.00 21.55 2.46 9 F C C 128.90 6.12 11.10 18.85 116.19 -134.12 -92.42 134.36 82.87 15.34 1.79 66.83 12.22 3.21 0.68 1.14 0.00 13.30 2.62 10 H C C 112.12 6.43 10.30 18.27 114.65 -144.49 -95.45 132.25 89.09 8.91 2.00 69.74 15.77 3.44 0.79 1.24 0.00 6.37 2.66 11 S C C 68.65 4.68 10.91 17.12 113.49 -132.87 -89.71 133.76 89.76 3.94 6.30 65.08 15.22 9.09 1.47 5.22 0.00 2.48 1.43 12 T C C 96.39 3.41 11.89 16.62 97.60 -134.94 -76.91 -12.70 86.68 2.59 10.73 34.97 23.13 28.80 1.86 8.87 0.00 1.40 0.96 13 Y C C 121.62 7.23 9.95 18.40 103.15 67.25 -89.87 21.60 83.33 5.45 11.22 38.21 20.13 25.50 2.23 8.76 0.01 2.61 2.54 14 R C C 145.04 4.99 11.64 18.17 107.55 118.18 -88.09 99.65 88.05 4.91 7.04 57.85 21.11 8.83 2.03 5.13 0.00 2.65 2.41 15 T C C 59.20 7.17 10.71 19.58 124.99 154.91 -111.99 156.08 83.92 8.41 7.67 52.57 23.80 7.30 2.69 4.85 0.01 3.74 5.04 16 R C G 175.01 2.72 13.45 17.46 95.74 -125.70 -71.97 -17.08 61.12 3.91 34.97 16.35 18.12 28.54 3.11 30.31 0.04 2.30 1.23 17 S C T 64.03 5.52 13.55 20.39 98.59 66.93 -83.37 -6.88 61.12 5.36 33.52 15.91 15.84 30.72 2.51 30.06 0.02 3.88 1.05 18 K C C 86.94 10.54 12.73 24.05 109.12 71.86 -95.59 89.75 52.78 14.60 32.62 29.71 13.37 12.02 2.75 28.27 0.01 12.66 1.21 19 I E E 63.47 9.27 15.16 25.92 118.51 130.05 -99.69 133.92 44.11 54.53 1.35 36.15 6.23 1.46 0.32 0.93 0.00 53.91 0.98 20 V E E 65.86 10.60 14.47 26.11 121.63 -155.69 -112.96 133.76 6.38 93.57 0.05 5.96 0.33 0.04 0.02 0.02 0.00 93.40 0.22 21 R E E 97.86 7.96 15.95 25.33 125.67 -173.12 -122.96 141.90 1.17 98.83 0.01 1.10 0.04 0.00 0.00 0.00 0.00 98.82 0.04 22 Y E E 119.26 7.70 14.07 23.27 117.31 -135.16 -98.65 130.28 1.14 98.85 0.00 1.08 0.03 0.00 0.00 0.00 0.00 98.85 0.03 23 K E E 74.22 8.75 12.85 23.37 126.68 -175.09 -123.69 145.98 2.20 97.79 0.01 2.01 0.10 0.01 0.00 0.00 0.00 97.82 0.05 24 R E E 154.05 3.28 13.28 18.20 114.45 -126.19 -91.34 128.23 8.39 91.59 0.02 7.66 0.59 0.04 0.01 0.01 0.00 91.07 0.62 25 T C C 43.56 9.42 7.67 18.39 122.71 -150.80 -92.93 160.97 92.36 7.54 0.10 91.28 1.08 0.18 0.02 0.06 0.00 6.92 0.46 26 P C T 112.08 1.69 10.60 13.34 107.29 -89.11 -62.49 136.28 92.57 1.42 6.01 2.08 6.86 82.40 0.15 7.16 0.00 1.07 0.28 27 G C T 63.74 0.74 10.69 10.85 97.58 18.09 77.32 -0.47 93.34 0.25 6.41 1.07 5.65 85.38 0.16 7.50 0.00 0.15 0.10 28 N C S 124.06 2.27 9.88 13.65 97.02 -95.45 75.11 14.82 93.01 1.28 5.71 14.80 63.83 14.20 0.35 5.62 0.00 0.74 0.46 29 R C C 143.05 2.27 10.98 14.77 118.14 137.65 -89.62 141.60 82.34 17.48 0.18 76.54 4.75 0.48 0.05 0.13 0.00 16.70 1.35 30 L E E 96.24 6.66 10.12 18.63 115.73 -125.51 -89.90 132.43 4.60 95.39 0.01 4.24 0.20 0.01 0.00 0.00 0.00 95.32 0.21 31 T E E 55.09 7.20 13.18 22.43 125.66 -172.91 -122.85 145.46 0.68 99.32 0.00 0.60 0.03 0.00 0.00 0.00 0.00 99.35 0.01 32 S E E 55.69 8.60 13.16 23.31 118.98 -137.78 -104.62 134.28 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 33 L E E 60.19 9.46 14.07 25.29 121.48 -166.35 -116.70 133.53 0.55 99.45 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.48 0.01 34 R E E 121.46 7.40 14.52 23.53 117.82 -148.99 -102.63 130.53 2.08 97.91 0.00 1.88 0.08 0.00 0.00 0.00 0.00 97.97 0.06 35 V E E 48.82 10.89 12.91 25.35 121.15 -164.20 -113.84 133.59 13.66 86.30 0.04 12.93 0.66 0.07 0.01 0.02 0.00 85.70 0.61 36 K E E 125.60 5.15 14.94 21.73 115.46 -141.02 -90.91 135.14 48.59 51.29 0.12 40.40 6.79 0.45 0.02 0.11 0.00 51.10 1.13 37 K C C 113.30 7.14 13.51 21.93 117.55 -108.45 -94.60 138.88 74.37 25.49 0.13 65.79 7.47 0.47 0.03 0.13 0.00 22.40 3.71 38 L C C 91.73 7.99 13.29 22.67 115.15 -115.62 -81.99 136.83 92.64 7.23 0.14 88.73 3.72 0.44 0.03 0.11 0.00 5.61 1.36 39 P C C 58.96 10.81 11.56 23.28 113.84 -111.66 -68.47 151.90 96.43 3.21 0.36 71.31 19.60 5.60 0.04 0.46 0.00 2.30 0.68 40 N C C 122.36 2.53 16.77 19.95 103.94 -132.78 -88.41 31.55 91.20 8.42 0.38 60.27 27.75 3.37 0.06 0.43 0.00 3.75 4.37 41 A C C 44.49 10.17 15.35 26.46 122.71 54.99 -99.21 148.77 93.01 6.89 0.10 71.33 22.02 0.38 0.02 0.10 0.00 4.59 1.57 42 P C C 34.60 15.42 14.84 30.66 113.42 -103.60 -68.36 145.09 93.15 6.75 0.10 83.55 9.08 0.50 0.02 0.11 0.00 6.10 0.65 43 H E B 94.26 7.26 21.51 29.57 126.92 -156.21 -122.10 147.01 7.14 92.82 0.05 5.30 0.27 0.01 0.05 0.00 0.00 12.32 82.04 44 C C C 11.57 19.41 12.23 32.52 110.11 -110.23 -69.96 129.80 87.28 12.68 0.04 88.50 0.59 0.07 0.01 0.02 0.00 8.49 2.33 45 A C T 56.17 7.22 18.06 26.73 92.76 -145.53 -67.80 -27.19 99.79 0.08 0.13 0.34 4.08 95.40 0.00 0.10 0.00 0.05 0.02 46 E C T 101.81 7.28 16.61 24.70 99.93 43.61 -85.19 -40.52 99.82 0.05 0.13 0.06 2.24 97.58 0.00 0.09 0.00 0.02 0.01 47 T C T 65.13 5.83 14.69 21.99 102.24 18.84 -107.75 -14.65 99.79 0.06 0.15 0.24 3.28 96.33 0.01 0.11 0.00 0.03 0.02 48 G C C 44.85 5.71 13.84 21.36 95.23 -123.58 79.61 6.62 99.31 0.55 0.13 80.70 14.32 4.24 0.03 0.11 0.00 0.28 0.31 49 K C C 106.70 4.13 16.18 21.86 119.19 139.11 -79.34 145.67 94.90 5.02 0.08 82.20 12.76 0.34 0.02 0.06 0.00 3.33 1.30 50 Q E B 111.94 5.87 17.20 24.51 114.14 -105.27 -70.78 138.98 4.92 95.02 0.06 3.74 0.21 0.01 0.07 0.01 0.00 14.37 81.59 51 I C C 21.36 21.12 9.82 30.33 112.82 -130.46 -89.28 124.44 90.04 9.57 0.39 88.22 1.75 0.48 0.07 0.33 0.00 7.89 1.27 52 H C T 141.37 2.77 19.49 22.89 111.59 -130.74 -74.32 134.94 91.92 6.31 1.77 28.78 19.17 44.39 0.22 1.70 0.00 4.66 1.07 53 G C T 45.30 5.77 18.02 24.26 98.56 20.34 86.31 -2.41 91.58 6.79 1.63 22.56 22.58 46.85 0.17 1.69 0.00 5.03 1.11 54 I C C 29.98 19.82 10.55 29.91 114.72 124.20 -89.21 126.68 84.75 14.52 0.73 67.20 16.95 0.99 0.27 0.55 0.00 9.24 4.81 55 P C C 57.96 7.73 17.75 26.63 113.88 -115.54 -68.91 148.06 82.62 14.50 2.88 72.09 6.13 3.75 0.71 2.41 0.00 11.37 3.54 56 R C C 137.95 7.55 14.98 23.66 111.55 -116.74 -80.94 128.09 80.27 15.88 3.85 52.88 19.21 8.22 0.89 3.38 0.01 10.24 5.16 57 V C C 64.83 10.66 11.75 23.23 116.10 -153.77 -103.03 127.98 79.69 17.52 2.79 52.01 22.62 4.72 1.01 1.99 0.01 10.14 7.49 58 I C C 93.85 5.91 11.84 19.34 117.19 -127.55 -97.75 138.44 89.21 8.52 2.27 63.11 21.29 4.86 0.73 1.61 0.00 6.01 2.38 59 P C C 93.34 3.74 12.07 17.02 105.76 -21.92 -70.87 121.00 90.45 2.70 6.84 54.97 16.88 18.59 1.46 5.46 0.00 1.88 0.76 60 Q C C 117.82 4.93 10.10 16.48 111.68 34.05 -93.38 123.98 90.70 3.40 5.90 65.05 12.84 12.76 1.14 4.87 0.00 2.49 0.86 61 H C C 144.73 2.37 12.33 15.94 111.26 -135.19 -93.93 115.95 85.54 9.74 4.72 71.65 6.67 6.75 1.16 3.63 0.00 7.33 2.81 62 L C C 58.60 11.50 7.79 19.85 120.24 -161.31 -100.67 138.60 88.92 10.24 0.84 82.09 6.10 0.79 0.44 0.40 0.00 7.24 2.94 63 T C C 72.34 2.60 14.90 17.82 119.90 -130.95 -84.02 157.27 89.11 9.78 1.10 86.46 2.39 0.54 0.64 0.38 0.00 5.88 3.71 64 R H G 151.73 6.07 10.08 17.68 92.66 -111.83 -59.19 -34.49 29.60 0.90 69.49 5.44 5.02 19.51 7.95 61.20 0.02 0.59 0.26 65 Q H G 139.63 1.45 12.95 14.86 92.59 58.72 -70.11 -21.34 31.68 0.61 67.71 3.87 4.39 22.88 7.66 60.58 0.01 0.40 0.21 66 Q H G 111.61 4.18 12.83 18.29 97.48 51.84 -90.43 -2.83 29.30 1.18 69.52 7.91 6.03 16.54 7.57 60.81 0.01 0.75 0.37 67 R C C 93.30 12.87 10.65 23.56 110.92 99.61 -83.36 124.09 84.48 3.49 12.03 62.62 17.32 4.27 7.51 4.47 0.01 1.42 2.39 68 K C C 115.70 5.00 17.82 24.02 122.88 162.33 -115.77 142.37 84.22 11.77 4.01 70.81 9.80 1.95 2.74 1.43 0.01 4.89 8.37 69 V C C 48.70 16.18 11.53 27.39 112.65 -133.75 -88.92 125.96 87.05 9.39 3.56 74.10 9.43 2.84 1.92 1.71 0.00 5.14 4.85 70 S C C 71.92 4.75 16.91 22.77 110.70 -165.46 -104.48 87.61 89.94 8.03 2.03 72.17 14.65 2.43 1.03 1.01 0.00 3.47 5.23 71 R C C 101.60 9.07 12.49 22.68 122.90 87.79 -94.29 150.93 87.60 6.00 6.40 48.79 31.88 6.56 2.25 3.66 0.01 2.02 4.83 72 P C T 90.83 5.46 14.41 21.05 94.37 -109.46 -63.76 -27.60 88.16 0.55 11.29 4.39 10.91 72.33 1.26 10.44 0.00 0.30 0.37 73 Y C T 127.95 6.72 13.17 20.90 99.44 42.72 -95.85 8.30 87.51 0.94 11.56 4.14 10.95 71.79 1.25 10.80 0.00 0.56 0.51 74 G C C 35.52 8.34 13.70 23.02 111.00 -115.71 82.24 18.39 84.14 5.80 10.06 38.33 27.32 18.51 1.72 8.13 0.00 2.16 3.83 75 G C C 37.26 7.75 14.03 22.76 116.44 24.23 89.75 -159.32 84.57 6.38 9.05 39.54 27.45 18.20 2.44 6.10 0.01 2.90 3.36 76 K C S 137.44 4.41 16.41 21.80 100.73 -50.19 -83.65 -14.41 74.73 10.42 14.84 22.26 35.15 18.55 6.10 7.40 0.19 5.32 5.04 77 L C S 86.06 8.01 15.62 24.23 103.68 70.72 -85.61 -4.27 65.93 17.07 17.01 21.59 28.73 16.30 9.12 6.56 0.67 7.62 9.41 78 C C C 45.43 10.15 16.53 27.38 112.43 25.55 -93.58 131.95 77.13 7.34 15.53 57.15 10.58 8.03 12.69 3.60 0.01 3.30 4.63 79 G H H 24.86 12.52 15.49 28.35 94.77 -120.81 -61.68 -39.60 11.05 0.11 88.84 3.58 2.74 5.49 86.17 1.90 0.02 0.04 0.06 80 S H H 69.90 3.16 21.56 24.40 92.72 51.84 -66.51 -38.87 5.33 0.05 94.62 1.20 0.79 3.39 93.05 1.51 0.01 0.02 0.02 81 A H H 35.50 6.99 19.11 27.37 92.25 50.79 -65.49 -41.47 2.71 0.05 97.24 1.01 0.38 1.40 96.00 1.15 0.00 0.03 0.01 82 L H H 27.31 15.62 16.57 32.68 92.22 51.05 -64.62 -42.54 1.02 0.02 98.96 0.51 0.13 0.41 98.65 0.29 0.00 0.01 0.01 83 R H H 106.95 8.89 20.21 29.12 91.70 51.02 -63.49 -41.85 0.50 0.00 99.50 0.18 0.04 0.23 99.46 0.09 0.00 0.00 0.00 84 A H H 55.38 3.61 21.39 24.79 91.77 50.17 -64.79 -41.37 0.31 0.00 99.69 0.10 0.03 0.15 99.68 0.04 0.00 0.00 0.00 85 H H H 81.21 7.85 19.95 28.33 92.17 49.39 -65.79 -41.03 0.22 0.00 99.78 0.06 0.01 0.11 99.78 0.03 0.00 0.00 0.00 86 I H H 46.51 12.96 17.98 31.31 91.97 49.33 -64.88 -42.55 0.18 0.00 99.82 0.05 0.01 0.09 99.83 0.02 0.00 0.00 0.00 87 L H H 69.86 7.71 19.40 27.31 91.74 49.71 -63.76 -42.11 0.23 0.00 99.76 0.05 0.01 0.13 99.77 0.03 0.00 0.00 0.00 88 E H H 102.45 3.02 20.62 23.34 91.85 49.64 -64.60 -41.28 0.51 0.00 99.48 0.07 0.03 0.35 99.48 0.08 0.00 0.00 0.00 89 S H H 36.43 7.12 18.25 26.55 91.93 50.15 -64.51 -41.75 1.61 0.00 98.39 0.13 0.09 1.23 98.38 0.16 0.00 0.00 0.00 90 F H H 68.63 10.15 17.60 28.18 92.15 48.58 -65.12 -41.93 3.73 0.02 96.26 0.47 0.33 2.73 96.15 0.30 0.01 0.01 0.01 91 L H H 78.70 5.33 18.42 24.14 91.98 49.74 -64.64 -41.38 4.46 0.05 95.50 1.02 0.51 2.75 95.28 0.38 0.01 0.02 0.03 92 N H H 84.69 2.59 19.35 21.43 92.12 49.58 -65.02 -41.36 3.27 0.03 96.70 0.97 0.42 1.75 96.53 0.30 0.00 0.01 0.02 93 E H H 85.21 6.15 17.99 24.38 92.29 49.20 -65.59 -40.91 1.47 0.00 98.53 0.44 0.16 0.74 98.47 0.18 0.00 0.00 0.00 94 E H H 74.25 8.65 16.40 25.66 91.95 50.61 -64.49 -40.86 0.77 0.00 99.22 0.19 0.07 0.41 99.22 0.11 0.00 0.00 0.00 95 N H H 83.20 3.34 18.30 21.72 91.69 50.66 -64.40 -40.55 0.57 0.00 99.43 0.10 0.04 0.32 99.45 0.09 0.00 0.00 0.00 96 Q H H 95.40 2.42 18.90 20.76 91.89 50.17 -64.91 -40.88 0.64 0.00 99.36 0.10 0.04 0.39 99.39 0.08 0.00 0.00 0.00 97 A H H 39.23 7.02 16.21 24.15 91.77 50.51 -64.17 -41.91 0.50 0.00 99.50 0.08 0.03 0.29 99.54 0.06 0.00 0.00 0.00 98 L H H 75.59 5.93 16.45 22.92 91.76 50.28 -64.16 -41.35 0.25 0.00 99.75 0.04 0.01 0.13 99.79 0.03 0.00 0.00 0.00 99 R H H 142.38 1.84 18.16 19.35 91.56 50.17 -64.40 -40.92 0.21 0.00 99.79 0.03 0.01 0.11 99.83 0.03 0.00 0.00 0.00 100 E H H 105.78 2.77 17.91 20.48 91.98 49.75 -64.95 -40.98 0.22 0.00 99.78 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 101 I H H 70.70 6.09 15.89 22.49 92.02 49.40 -64.35 -42.44 0.23 0.00 99.77 0.03 0.01 0.12 99.80 0.03 0.00 0.00 0.00 102 A H H 54.51 3.34 16.64 20.34 91.57 50.27 -63.61 -41.00 0.37 0.00 99.63 0.05 0.02 0.21 99.67 0.04 0.00 0.00 0.00 103 A H H 59.09 2.05 17.02 18.60 91.74 50.36 -64.37 -40.35 0.68 0.00 99.32 0.09 0.04 0.40 99.40 0.06 0.00 0.00 0.00 104 Q H H 92.04 3.29 16.18 19.75 92.17 49.75 -65.44 -40.40 0.85 0.00 99.14 0.16 0.07 0.46 99.21 0.09 0.00 0.00 0.00 105 T H H 74.16 3.25 15.63 19.14 92.22 49.99 -65.18 -40.67 1.23 0.01 98.77 0.28 0.11 0.65 98.83 0.13 0.00 0.00 0.00 106 A H H 60.84 1.95 15.59 17.30 91.65 50.62 -64.37 -40.72 1.48 0.01 98.51 0.37 0.14 0.79 98.53 0.17 0.00 0.00 0.00 107 K H H 118.24 1.82 15.47 16.98 92.26 50.12 -65.16 -41.02 1.61 0.01 98.37 0.41 0.17 0.85 98.33 0.23 0.00 0.01 0.00 108 T H H 72.91 2.56 14.37 17.36 92.25 49.94 -65.31 -40.86 2.07 0.02 97.91 0.52 0.21 1.13 97.80 0.33 0.00 0.01 0.00 109 A H H 62.55 2.10 13.86 16.34 92.12 50.79 -64.64 -40.08 3.22 0.03 96.75 0.80 0.36 1.84 96.43 0.53 0.00 0.01 0.01 110 K H H 132.17 1.48 13.82 15.11 92.52 50.27 -66.51 -38.91 6.15 0.06 93.78 1.59 0.75 3.65 93.05 0.89 0.01 0.03 0.02 111 Q H H 113.00 2.02 12.67 15.24 93.36 50.66 -67.69 -37.72 12.25 0.15 87.60 3.54 1.69 6.99 86.22 1.41 0.02 0.07 0.06 112 T H H 90.28 2.11 11.90 14.65 94.60 51.67 -71.40 -31.92 24.33 0.34 75.34 8.31 3.67 12.56 73.16 1.96 0.03 0.15 0.16 113 A H H 80.34 1.76 10.93 13.45 96.64 58.34 -72.40 -24.02 41.54 0.53 57.93 11.33 7.05 23.93 54.41 2.72 0.05 0.23 0.29 114 G C T 55.29 2.05 10.26 13.35 100.54 46.62 -64.73 -5.16 64.83 0.81 34.37 18.79 12.78 33.67 30.59 3.37 0.03 0.33 0.44 115 K C C 147.98 1.94 9.00 12.34 106.41 86.97 -87.22 37.16 77.02 1.89 21.09 34.93 20.41 22.00 16.96 3.88 0.03 0.77 1.02 116 G C C 58.06 1.64 9.04 11.92 108.78 -0.94 68.69 4.88 85.95 2.69 11.36 42.59 22.23 21.87 5.78 4.98 0.00 1.44 1.11 117 H C C 153.51 1.56 7.63 10.53 108.57 -10.23 -88.76 104.54 83.21 6.53 10.26 55.57 13.86 14.02 4.75 5.23 0.00 4.19 2.37 118 A C C 84.90 2.38 6.94 11.06 110.23 110.66 -85.96 120.59 89.55 4.86 5.59 81.84 1.87 6.87 2.55 1.97 0.00 3.15 1.75 119 K C C 155.88 1.99 10.31 13.80 109.86 -145.07 -87.91 118.46 99.82 0.14 0.04 99.68 0.12 0.08 0.02 0.00 0.00 0.08 0.01