# 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 75.16 14.64 13.16 27.33 118.62 -158.47 -100.80 136.15 99.77 0.23 0.00 99.77 0.06 0.01 0.00 0.00 0.00 0.14 0.01 1 N E E 89.98 6.13 16.27 23.69 117.84 -155.44 -105.64 127.55 39.63 60.14 0.23 38.25 0.75 0.28 0.09 0.11 0.00 58.45 2.07 2 L E E 87.66 9.76 13.92 24.75 115.70 -141.57 -91.57 129.87 26.78 72.85 0.38 24.39 1.85 0.37 0.19 0.21 0.00 70.53 2.46 3 I E E 51.59 14.42 12.06 26.99 115.22 -154.73 -102.40 123.28 42.57 56.46 0.97 39.74 1.80 0.50 0.45 0.44 0.00 55.57 1.50 4 E C C 121.93 4.77 16.48 22.66 116.51 -156.29 -94.93 137.27 64.79 33.19 2.01 52.88 7.20 2.98 0.44 1.27 0.00 34.51 0.71 5 N C C 114.58 3.27 18.20 22.24 98.23 12.50 58.24 42.39 79.74 18.32 1.94 61.59 11.42 5.57 0.33 1.61 0.00 18.59 0.88 6 I C C 37.05 19.80 9.56 27.96 115.33 159.48 -93.21 128.66 79.96 18.80 1.24 68.78 8.14 2.33 0.41 0.93 0.00 14.86 4.55 7 T C C 59.66 6.20 17.70 24.81 126.43 -166.76 -111.80 164.22 90.33 8.83 0.84 77.89 9.33 2.91 0.24 0.63 0.00 6.85 2.14 8 S C S 79.19 6.03 14.65 22.24 95.46 -109.29 -74.81 -13.89 95.97 3.02 1.01 18.24 63.01 14.98 0.15 0.80 0.00 2.25 0.58 9 E C S 119.80 3.89 17.36 22.13 107.30 72.70 -88.88 65.70 94.84 4.35 0.81 23.37 59.48 12.16 0.10 0.73 0.00 3.52 0.65 10 Y C C 80.22 13.98 15.15 29.03 109.62 -117.96 -88.70 115.36 85.91 13.53 0.56 48.36 33.35 4.17 0.07 0.56 0.00 12.67 0.81 11 I E E 60.82 13.09 18.38 31.53 120.40 82.14 -108.41 132.66 30.33 69.39 0.28 24.32 4.76 1.01 0.05 0.21 0.00 69.15 0.50 12 Q E E 27.64 18.19 17.72 35.77 124.91 -170.49 -120.92 137.69 5.01 94.96 0.03 4.34 0.34 0.04 0.01 0.01 0.00 95.15 0.11 13 T E E 59.13 12.69 20.66 33.34 128.78 -170.06 -128.81 138.94 1.35 98.65 0.00 1.18 0.06 0.00 0.00 0.00 0.00 98.74 0.02 14 H E E 36.43 16.72 18.31 35.22 132.08 -174.80 -137.02 144.68 0.74 99.26 0.00 0.65 0.03 0.00 0.00 0.00 0.00 99.31 0.01 15 A E E 50.74 9.90 21.36 31.76 120.05 -147.67 -106.99 131.95 0.84 99.15 0.00 0.77 0.02 0.00 0.00 0.00 0.00 99.20 0.01 16 L E E 18.58 19.30 15.84 35.34 124.96 -171.29 -122.85 137.47 0.74 99.26 0.01 0.66 0.03 0.00 0.00 0.00 0.00 99.29 0.02 17 E E E 113.12 4.79 21.24 26.88 113.71 -137.55 -96.49 123.26 3.41 96.57 0.03 2.93 0.23 0.03 0.01 0.01 0.00 96.71 0.08 18 F E E 31.84 18.55 10.75 28.64 128.87 177.10 -117.38 167.71 27.16 72.67 0.17 23.55 2.71 0.51 0.04 0.12 0.00 72.32 0.75 19 S C T 88.26 2.19 16.88 19.48 94.14 -91.43 -62.56 -29.90 97.28 2.04 0.67 1.96 25.79 69.72 0.02 0.67 0.00 1.66 0.19 20 R C T 140.56 5.36 15.58 21.91 99.88 37.70 -98.01 4.05 98.71 0.75 0.54 1.67 25.32 71.77 0.02 0.56 0.00 0.58 0.08 21 G E E 14.33 9.62 17.88 29.14 139.84 -57.29 150.89 -176.89 21.53 78.32 0.15 13.26 7.26 1.26 0.01 0.14 0.00 77.77 0.29 22 F E E 72.91 10.53 20.50 31.83 125.96 -65.78 -118.88 141.07 2.89 97.11 0.00 2.58 0.09 0.00 0.00 0.00 0.00 97.29 0.03 23 A E E 5.20 22.44 17.54 40.43 125.84 -166.76 -121.40 139.14 0.34 99.66 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 24 V E E 29.06 11.70 25.61 38.41 119.58 -155.47 -114.07 128.25 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 25 L E E 3.70 25.32 19.78 45.62 120.50 -166.33 -114.28 129.74 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 26 T E E 23.67 11.76 27.26 40.26 118.69 -162.40 -112.17 127.51 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 27 L E E 3.66 25.66 20.01 46.20 120.27 -164.80 -112.75 128.79 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 28 I E E 37.98 11.51 26.96 39.29 123.66 -170.77 -121.36 132.97 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 29 Y E E 31.19 20.16 17.35 37.37 116.97 -150.92 -104.46 128.10 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 30 E E E 46.16 9.07 18.19 29.45 109.74 -161.56 -111.13 104.76 4.07 95.91 0.01 3.64 0.21 0.03 0.00 0.01 0.00 95.99 0.12 31 Q C T 101.28 7.78 13.97 23.55 93.71 -170.89 -65.93 -31.60 91.72 0.60 7.68 0.53 2.78 88.48 0.12 7.59 0.00 0.42 0.08 32 A C T 88.99 1.13 15.55 15.92 92.41 54.73 -67.83 -37.11 93.15 0.18 6.68 0.55 2.53 89.81 0.13 6.83 0.00 0.11 0.05 33 V C T 76.31 5.28 14.07 20.78 97.22 31.03 -96.49 -9.33 94.77 0.10 5.13 0.95 2.48 90.93 0.12 5.43 0.00 0.06 0.03 34 Q C T 98.05 7.89 16.43 25.89 94.56 -127.06 57.27 42.09 99.66 0.13 0.20 3.70 1.98 94.07 0.04 0.10 0.00 0.10 0.01 35 M E E 38.52 12.57 19.66 33.29 137.91 118.82 -140.70 160.19 3.76 96.24 0.00 3.08 0.29 0.03 0.00 0.00 0.00 96.50 0.09 36 W E E 15.98 22.47 18.81 41.34 122.77 -129.82 -107.35 140.38 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 37 K E E 40.86 14.23 25.77 40.08 127.39 -168.46 -124.63 142.24 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 38 M E E 6.88 24.70 19.70 44.44 126.64 -168.23 -124.17 139.64 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 39 N E E 34.29 11.89 26.44 39.13 120.44 -159.18 -111.08 132.19 0.36 99.64 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.00 40 V E E 5.69 24.12 19.44 43.88 121.38 -163.68 -114.88 130.48 0.38 99.62 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.01 41 V E E 27.31 12.31 24.26 37.52 126.63 -171.53 -122.26 142.14 1.01 98.99 0.00 0.82 0.06 0.00 0.00 0.00 0.00 99.07 0.04 42 Y E E 32.86 18.04 18.94 37.02 122.84 -160.74 -116.35 135.65 9.39 90.53 0.08 7.49 1.55 0.19 0.02 0.04 0.00 90.41 0.29 43 T E E 42.80 10.20 18.77 30.27 121.18 -159.19 -111.74 134.51 40.76 58.84 0.40 34.44 4.84 0.82 0.10 0.28 0.00 58.65 0.87 44 R C C 83.97 9.47 14.10 25.09 115.46 -130.49 -85.12 138.12 67.21 31.15 1.64 54.98 8.12 3.12 0.63 1.16 0.00 27.50 4.48 45 A C T 66.78 7.11 11.40 19.93 107.88 -101.78 -62.62 133.36 91.58 4.79 3.63 17.93 19.72 53.94 0.52 3.29 0.00 3.42 1.19 46 G C T 68.02 0.38 13.11 11.23 98.85 16.91 81.66 -3.97 95.33 1.16 3.51 9.93 24.33 60.75 0.34 3.47 0.00 0.71 0.47 47 D C S 79.49 5.23 8.22 15.25 120.55 88.15 -109.63 149.01 94.13 2.63 3.24 26.99 41.84 25.03 0.35 3.27 0.00 1.40 1.12 48 E C S 159.80 1.31 11.55 13.40 97.52 -146.26 -80.59 -9.90 95.79 3.02 1.20 31.01 50.54 14.19 0.16 1.22 0.00 1.88 0.99 49 E C S 128.36 2.21 13.92 17.01 117.57 93.18 -97.84 135.87 93.18 6.42 0.41 44.19 47.31 2.29 0.07 0.37 0.00 4.15 1.61 50 P C C 60.89 12.54 10.00 22.85 115.50 -114.13 -68.71 145.77 88.84 10.64 0.52 75.22 10.83 2.55 0.09 0.53 0.00 8.62 2.15 51 Q C C 91.62 7.54 17.11 25.74 121.48 -147.72 -110.69 138.27 68.68 31.08 0.25 53.51 13.98 1.06 0.06 0.25 0.00 27.56 3.58 52 P C C 62.95 12.28 17.30 29.59 114.10 -108.80 -70.74 141.74 56.28 43.57 0.15 50.57 4.69 0.37 0.03 0.13 0.00 42.94 1.27 53 P E E 44.33 14.23 19.67 33.49 100.64 -158.60 -80.21 -29.22 41.51 58.01 0.48 29.11 12.33 1.22 0.09 0.42 0.00 55.72 1.11 54 I E E 15.56 22.78 16.25 38.37 121.41 13.64 -126.67 127.00 7.90 91.83 0.27 6.64 1.17 0.26 0.09 0.16 0.00 90.90 0.78 55 Y E E 116.05 8.78 22.61 31.99 124.47 -174.33 -120.34 137.66 7.55 92.25 0.20 3.62 2.48 1.11 0.02 0.14 0.00 92.51 0.12 56 G E E 31.29 8.58 23.03 32.38 97.77 19.06 81.73 3.75 8.77 91.02 0.21 3.23 3.63 1.51 0.02 0.14 0.00 91.39 0.08 57 V E E 16.84 21.38 18.92 40.07 117.80 144.66 -90.02 135.82 3.42 96.51 0.07 2.91 0.28 0.05 0.03 0.03 0.00 96.59 0.11 58 K E E 61.24 14.59 27.46 41.75 117.10 -140.62 -96.78 133.38 2.19 97.69 0.12 1.94 0.12 0.03 0.08 0.03 0.00 97.61 0.19 59 L E E 1.92 27.36 22.34 50.12 121.25 -164.01 -113.55 132.36 13.88 85.48 0.63 10.88 2.77 0.60 0.28 0.31 0.00 84.60 0.57 60 A E E 10.81 19.60 25.50 44.26 131.74 -155.37 -133.79 151.12 34.70 64.02 1.27 28.36 5.35 1.51 0.51 0.80 0.00 60.78 2.69 61 L C T 40.68 18.20 22.43 39.47 108.35 -122.07 -84.87 109.90 79.21 18.39 2.40 17.10 26.37 36.56 0.51 1.67 0.02 16.16 1.61 62 S C T 47.99 11.50 23.96 34.80 101.04 11.61 61.61 35.14 92.33 3.99 3.69 23.16 33.50 36.48 1.05 2.24 0.00 2.64 0.92 63 T C C 26.12 19.83 16.69 35.41 107.16 131.85 -80.52 64.22 67.53 5.78 26.69 42.40 16.32 8.92 16.20 10.68 0.04 3.30 2.15 64 T C C 63.34 10.26 20.70 30.96 94.97 66.60 -72.82 -18.20 48.31 9.14 42.55 24.43 10.69 14.30 20.38 21.50 0.26 6.32 2.11 65 H H G 67.69 13.27 19.06 32.09 97.88 61.70 -80.33 -16.77 34.25 19.67 46.08 15.50 8.54 12.86 21.16 23.22 0.70 15.01 3.02 66 I H G 24.74 20.99 14.96 34.97 102.06 58.16 -90.73 6.36 32.44 25.37 42.19 17.95 7.81 9.52 20.37 20.62 0.62 18.68 4.44 67 K C C 92.58 10.79 17.52 28.40 114.92 107.46 -90.82 132.22 58.50 16.07 25.43 31.73 13.27 14.43 14.79 10.34 0.22 11.52 3.70 68 H C C 107.71 8.52 15.95 24.96 103.46 33.18 -80.10 60.67 76.93 7.44 15.63 34.27 19.56 24.69 7.11 7.49 0.06 4.66 2.17 69 R C C 123.62 7.75 15.39 24.09 117.20 91.22 -109.27 142.12 88.30 4.86 6.85 33.07 29.17 27.14 1.94 4.28 0.01 2.61 1.77 70 N C C 103.13 5.98 17.81 24.32 100.56 -90.17 -84.61 20.61 94.48 3.94 1.58 39.54 31.45 23.82 0.23 1.47 0.00 2.41 1.07 71 W C S 55.36 17.43 14.60 31.85 120.27 119.99 -100.69 136.02 92.39 7.10 0.51 43.12 45.54 4.34 0.11 0.47 0.00 4.50 1.93 72 P C S 43.62 12.29 22.30 35.13 96.95 -137.09 -70.17 -20.64 93.49 6.26 0.25 22.46 61.04 9.65 0.02 0.27 0.00 6.13 0.43 73 F E E 14.60 22.24 19.71 41.48 135.99 35.47 -136.23 150.12 25.88 73.86 0.26 16.32 8.64 2.06 0.04 0.26 0.00 71.96 0.72 74 D E E 17.87 18.58 25.68 43.42 133.37 -169.26 -132.51 151.55 4.94 95.02 0.03 4.14 0.53 0.06 0.01 0.02 0.00 95.12 0.13 75 F E E 5.19 25.27 23.63 48.74 126.32 -154.47 -123.84 137.68 0.74 99.25 0.00 0.63 0.04 0.00 0.00 0.00 0.00 99.31 0.01 76 T E E 11.79 19.76 27.61 46.58 126.65 -168.77 -122.07 139.96 0.23 99.77 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 77 V E E 2.63 25.76 23.91 49.64 121.82 -163.98 -116.84 130.50 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 78 I E E 29.26 15.05 26.91 42.11 120.69 -164.07 -112.94 130.82 0.86 99.14 0.00 0.74 0.04 0.00 0.00 0.00 0.00 99.18 0.04 79 D E E 9.87 21.48 16.91 38.55 119.56 -162.17 -111.56 129.13 20.77 79.18 0.05 19.30 1.03 0.13 0.01 0.04 0.00 78.93 0.55 80 T C S 68.15 8.15 20.95 29.88 96.92 -161.55 -81.06 -15.75 90.04 9.18 0.78 18.97 55.52 14.78 0.07 0.81 0.00 9.22 0.63 81 T C S 69.30 7.51 17.17 25.38 99.38 61.28 -87.50 -5.78 92.95 4.81 2.24 11.39 51.96 29.98 0.22 2.01 0.00 3.30 1.15 82 N C S 106.39 6.93 14.97 23.05 98.32 -117.17 27.04 23.33 94.17 2.84 2.99 30.59 38.96 24.25 0.30 3.20 0.00 1.51 1.20 83 N C T 95.56 5.43 16.52 23.14 100.70 120.18 -90.25 10.70 93.97 2.78 3.25 22.84 33.61 37.25 0.33 3.35 0.00 1.37 1.26 84 G C C 43.52 7.05 17.77 25.51 98.54 -103.23 81.61 8.55 95.05 3.25 1.70 33.56 32.66 28.79 0.17 1.94 0.00 1.82 1.06 85 M C C 47.80 16.13 15.33 31.49 116.96 141.16 -87.62 136.27 86.78 12.46 0.76 61.22 22.85 2.12 0.24 0.62 0.00 4.80 8.16 86 D C C 54.34 11.06 22.49 33.89 107.53 -135.70 -99.93 109.57 95.58 4.23 0.19 87.15 7.89 0.61 0.06 0.12 0.00 2.19 1.99 87 P C T 12.00 23.27 15.83 39.30 95.14 -161.91 -70.20 -13.25 93.62 2.96 3.42 32.46 14.49 46.79 0.59 2.87 0.00 1.61 1.19 88 Y C T 98.94 12.92 20.74 33.02 97.29 64.75 -89.91 -7.43 90.74 4.48 4.78 20.62 24.59 45.83 1.07 3.53 0.01 2.43 1.92 89 R C S 101.20 7.12 21.49 28.98 125.73 69.75 -109.18 151.05 82.98 7.64 9.38 29.99 44.03 8.64 4.40 4.28 0.05 2.20 6.41 90 A H G 48.35 14.97 14.41 28.90 93.01 -115.62 -60.92 -33.02 37.55 0.86 61.60 6.48 8.51 21.69 26.10 36.15 0.10 0.44 0.53 91 D H G 99.39 3.07 20.72 23.81 92.71 62.49 -70.68 -18.72 33.38 1.00 65.61 5.99 6.22 19.55 30.08 36.92 0.15 0.53 0.55 92 D H G 22.94 15.46 14.80 30.92 93.93 63.06 -77.78 -18.63 26.56 1.99 71.45 11.81 5.37 9.42 33.95 37.46 0.06 1.02 0.92 93 F H H 29.48 22.28 13.11 34.05 94.36 71.42 -67.12 -32.25 34.76 2.18 63.07 9.33 6.86 18.17 36.36 26.60 0.37 1.13 1.19 94 E H H 131.94 3.53 20.15 24.48 92.41 55.60 -68.77 -28.35 43.60 1.32 55.08 4.27 6.38 30.42 33.14 23.48 0.75 0.75 0.81 95 T C T 79.54 3.99 20.74 24.64 94.59 45.79 -90.08 -8.58 60.06 0.75 39.19 3.24 9.28 46.15 21.48 18.61 0.18 0.40 0.67 96 G C T 15.56 16.02 16.32 32.56 95.80 -114.32 79.47 13.19 94.75 3.11 2.14 16.24 23.12 55.73 0.38 1.58 0.00 2.42 0.54 97 R E E 72.33 11.31 23.71 35.57 119.32 127.57 -102.62 136.58 43.47 56.40 0.13 37.64 4.69 0.46 0.03 0.11 0.00 55.44 1.63 98 C E E 3.45 25.75 17.61 43.81 130.17 -167.09 -129.96 146.11 6.61 93.36 0.02 6.01 0.41 0.03 0.01 0.01 0.00 93.35 0.18 99 Q E E 45.80 13.02 28.11 41.65 121.25 -155.87 -114.76 132.32 0.66 99.34 0.00 0.61 0.03 0.00 0.00 0.00 0.00 99.34 0.02 100 L E E 5.51 25.40 21.31 46.99 119.29 -158.89 -110.35 128.54 0.22 99.77 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 101 Y E E 28.34 17.78 26.36 43.64 119.98 -164.94 -112.95 128.43 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 102 F E E 25.78 20.46 23.97 43.56 117.37 -157.49 -104.95 125.25 0.90 99.10 0.00 0.75 0.04 0.00 0.00 0.00 0.00 99.18 0.03 103 I E E 11.22 20.38 19.50 39.96 131.73 175.28 -128.66 152.66 13.81 86.19 0.00 12.75 0.57 0.01 0.00 0.00 0.00 86.29 0.37 104 T C C 38.45 8.81 22.58 32.36 118.30 -108.73 -72.20 154.73 93.27 6.70 0.03 92.47 0.93 0.03 0.01 0.01 0.00 6.40 0.15 105 P H H 55.34 12.90 15.30 28.87 91.36 -110.01 -57.00 -37.91 7.86 0.14 92.01 1.40 1.08 4.98 83.45 8.93 0.03 0.11 0.03 106 E H H 127.28 1.67 21.50 21.84 91.64 54.26 -64.59 -37.33 4.31 0.12 95.57 0.72 0.41 2.87 86.89 8.95 0.02 0.11 0.02 107 E H H 44.15 13.64 17.61 31.67 92.44 49.60 -67.72 -38.48 2.46 0.12 97.42 0.60 0.25 1.44 88.46 9.11 0.01 0.12 0.01 108 M H H 10.32 23.51 13.72 36.88 91.86 53.30 -64.25 -41.48 3.66 0.52 95.82 1.21 0.53 1.99 90.03 5.66 0.05 0.44 0.10 109 I H H 85.17 5.77 19.89 26.34 91.81 52.01 -64.32 -38.44 9.70 1.85 88.45 2.28 1.10 6.36 80.29 7.92 0.09 1.71 0.25 110 Q H H 105.12 4.12 20.09 24.66 91.86 54.58 -68.13 -28.26 21.87 0.80 77.33 2.24 1.51 17.79 71.01 6.49 0.09 0.71 0.16 111 V H H 13.73 21.20 12.96 33.88 95.64 52.79 -83.94 -11.06 38.44 2.25 59.32 5.97 4.23 27.85 54.32 5.18 0.26 1.52 0.68 112 R C T 117.01 11.98 15.24 27.43 108.71 112.25 -65.92 122.85 73.39 3.08 23.53 6.26 5.66 58.84 22.60 3.38 0.12 1.56 1.58 113 G C T 62.23 1.23 18.12 18.53 95.43 11.99 83.47 1.16 90.97 0.75 8.28 8.72 7.78 74.53 5.74 2.48 0.00 0.45 0.29 114 V C C 44.70 14.74 9.60 24.38 118.25 127.90 -88.04 142.92 89.18 5.29 5.52 48.35 31.35 10.00 2.75 2.59 0.00 3.01 1.94 115 D C C 109.72 2.10 19.11 21.01 107.94 -117.66 -81.67 116.10 81.76 15.22 3.01 69.86 6.49 4.90 1.30 1.66 0.00 9.69 6.10 116 V C C 37.16 20.10 8.49 26.44 111.75 -171.57 -100.06 108.37 90.96 7.84 1.20 89.46 1.06 1.18 0.59 0.37 0.00 5.10 2.24 117 Q C C 121.14 3.80 18.50 23.28 110.94 -146.07 -87.18 125.14 99.79 0.19 0.01 99.78 0.06 0.03 0.00 0.00 0.00 0.11 0.01