# 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 103.13 8.99 14.51 24.25 116.83 64.77 -100.45 130.61 99.91 0.08 0.01 99.89 0.05 0.02 0.00 0.00 0.00 0.04 0.01 1 A C C 54.02 9.90 14.24 24.99 118.22 -155.61 -98.82 135.46 94.10 5.30 0.60 92.10 0.83 1.89 0.19 0.25 0.00 3.54 1.21 2 K C C 114.98 7.18 19.74 27.54 110.74 -131.10 -87.20 125.84 89.52 9.76 0.72 65.80 19.56 3.90 0.23 0.59 0.00 6.63 3.29 3 I C C 9.92 24.92 10.92 35.45 119.57 -148.51 -100.06 134.90 89.53 10.25 0.22 84.31 4.72 0.17 0.12 0.09 0.00 3.94 6.65 4 K C C 100.30 4.49 23.98 28.70 130.07 -168.94 -120.04 156.99 98.61 1.34 0.05 98.17 0.65 0.05 0.02 0.01 0.00 0.46 0.64 5 K C T 123.56 8.52 15.33 25.16 109.88 -83.39 -59.62 135.11 99.56 0.30 0.14 0.14 1.00 98.62 0.00 0.07 0.00 0.13 0.04 6 G C T 44.63 3.90 19.63 24.37 95.80 25.11 88.87 -6.45 99.89 0.07 0.04 0.16 1.05 98.72 0.00 0.02 0.00 0.04 0.00 7 D C C 31.34 14.56 15.24 30.94 118.46 133.36 -71.19 147.38 97.30 2.69 0.01 96.21 1.13 0.03 0.00 0.00 0.00 2.54 0.08 8 Q E E 81.97 8.24 24.60 33.24 114.63 -118.49 -82.70 132.53 2.90 97.09 0.01 2.98 0.08 0.00 0.00 0.00 0.00 96.19 0.74 9 V E E 3.13 25.84 17.08 43.59 132.37 -172.41 -130.14 150.92 1.12 98.87 0.01 1.04 0.05 0.01 0.00 0.00 0.00 98.85 0.06 10 I E E 34.88 11.59 26.43 39.23 118.71 -139.54 -110.40 129.96 1.99 97.91 0.10 1.82 0.14 0.06 0.03 0.05 0.00 97.79 0.12 11 V E E 8.55 22.36 17.49 40.67 109.22 -125.89 -77.53 122.66 16.19 83.70 0.11 15.65 0.69 0.12 0.03 0.07 0.00 82.61 0.84 12 I C C 51.77 10.95 22.03 33.93 100.05 175.82 -100.26 -24.51 87.81 11.88 0.31 64.41 21.23 1.79 0.05 0.30 0.00 11.39 0.84 13 A C S 43.04 6.59 22.03 29.47 139.87 12.04 -150.90 156.49 94.89 4.52 0.59 12.95 77.52 4.84 0.09 0.44 0.00 2.77 1.39 14 G C S 36.04 4.53 19.04 24.73 127.57 34.95 91.33 -164.08 92.83 1.58 5.58 6.92 77.30 9.15 0.66 4.16 0.00 0.62 1.19 15 K C T 154.74 2.48 18.59 21.61 93.07 -43.90 -69.36 -21.78 86.76 0.76 12.48 1.50 19.25 65.81 0.46 12.11 0.01 0.36 0.49 16 E C T 44.08 16.19 12.75 29.20 96.24 51.43 -97.77 6.87 89.03 0.84 10.12 3.77 10.09 73.73 0.51 10.98 0.00 0.51 0.40 17 K C T 103.75 10.35 14.30 26.01 111.31 127.70 -61.41 133.10 97.41 0.83 1.76 1.13 2.18 94.41 0.18 1.26 0.00 0.39 0.44 18 G C T 48.04 4.09 19.85 24.70 93.72 21.77 86.74 -3.38 98.65 0.59 0.75 1.19 2.65 94.86 0.05 0.70 0.00 0.48 0.08 19 K C C 82.09 10.22 18.64 29.71 120.45 125.50 -76.94 146.75 96.28 3.55 0.17 91.20 4.44 0.57 0.03 0.15 0.00 3.35 0.26 20 Q E E 86.17 11.91 20.60 32.68 129.15 -150.29 -117.22 145.84 7.27 92.67 0.07 6.90 0.45 0.05 0.06 0.03 0.00 87.48 5.03 21 G E E 8.92 15.07 21.18 36.76 143.83 142.87 -163.11 -175.70 4.18 95.80 0.02 3.34 0.62 0.04 0.00 0.01 0.00 95.94 0.05 22 T E E 54.21 7.86 26.01 34.89 121.31 -78.73 -105.43 138.94 0.82 99.17 0.01 0.76 0.03 0.00 0.00 0.00 0.00 99.18 0.03 23 V E E 7.18 24.48 14.21 39.60 109.17 -115.56 -75.09 124.43 0.93 99.05 0.02 0.91 0.02 0.00 0.01 0.00 0.00 99.04 0.02 24 L E E 73.42 7.19 22.73 30.67 100.55 175.70 -96.73 -30.80 1.95 98.03 0.02 1.42 0.32 0.02 0.01 0.01 0.00 98.21 0.02 25 S E E 49.32 5.13 24.77 30.61 139.53 0.14 -155.18 151.72 0.94 99.05 0.01 0.71 0.08 0.01 0.00 0.00 0.00 99.17 0.02 26 V E E 45.16 20.56 11.86 30.87 125.12 -163.53 -130.15 131.05 4.22 95.74 0.04 3.52 0.42 0.06 0.01 0.02 0.00 95.69 0.27 27 S C C 47.90 4.71 18.80 24.02 128.40 -170.27 -120.75 169.68 56.82 43.08 0.10 51.64 2.03 0.35 0.02 0.07 0.00 45.49 0.40 28 E C C 144.11 3.46 15.56 20.42 93.43 -96.14 -65.63 -26.66 98.23 1.38 0.39 33.86 31.35 33.00 0.05 0.38 0.00 1.20 0.15 29 D C C 91.42 5.50 16.62 22.88 102.44 26.82 -107.31 -6.55 98.05 1.66 0.29 50.54 23.96 23.48 0.03 0.34 0.00 1.54 0.12 30 R E E 74.84 10.57 19.27 30.62 137.58 30.22 -144.77 154.42 39.26 60.67 0.07 33.20 3.48 0.51 0.01 0.07 0.00 62.41 0.31 31 V E E 7.02 23.19 16.10 39.98 121.30 -148.29 -115.47 131.00 2.50 97.50 0.00 2.41 0.06 0.00 0.00 0.00 0.00 97.49 0.04 32 K E E 54.76 9.80 26.10 36.77 117.79 -158.55 -109.68 127.13 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 33 V E E 5.53 24.51 16.17 41.26 119.26 -168.28 -115.09 127.06 0.34 99.66 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.65 0.01 34 E E E 91.90 6.70 23.74 30.69 121.58 -153.05 -97.06 145.68 13.28 86.63 0.09 6.66 3.93 2.01 0.01 0.09 0.00 87.17 0.14 35 G C E 33.20 6.45 22.54 29.83 100.89 17.94 78.59 18.45 55.88 43.86 0.26 13.83 31.35 8.78 0.02 0.26 0.00 45.48 0.28 36 L C C 29.65 21.48 13.99 34.39 112.93 154.42 -85.75 127.04 56.83 42.40 0.78 47.21 7.04 1.80 0.10 0.71 0.00 42.51 0.64 37 N E E 67.32 10.16 20.64 30.97 105.13 54.79 -103.69 65.04 39.71 59.79 0.50 28.25 9.27 2.45 0.05 0.48 0.00 58.78 0.71 38 L E E 67.29 11.94 17.07 29.52 118.51 75.84 -99.51 131.36 12.77 87.14 0.09 10.92 1.59 0.18 0.02 0.06 0.00 86.59 0.63 39 V E E 54.26 12.24 14.62 27.77 123.57 -170.69 -118.09 136.33 6.84 93.14 0.03 6.10 0.57 0.05 0.01 0.02 0.00 92.97 0.29 40 K E E 115.43 6.53 15.70 23.63 116.74 -134.57 -95.39 131.04 5.35 94.63 0.02 4.72 0.36 0.04 0.00 0.01 0.00 94.75 0.12 41 K E E 101.62 8.42 12.67 22.53 121.24 -161.07 -110.27 137.00 7.27 92.69 0.04 6.46 0.59 0.07 0.01 0.02 0.00 92.62 0.23 42 H E E 110.51 5.99 12.10 19.88 117.69 -143.38 -101.31 133.92 13.00 86.93 0.07 11.72 1.01 0.12 0.02 0.04 0.00 86.30 0.81 43 Q E E 100.69 6.63 11.06 19.47 119.05 -159.37 -105.53 137.87 32.72 67.16 0.12 29.09 3.30 0.26 0.04 0.08 0.00 65.03 2.20 44 K C C 134.96 2.97 12.79 17.15 117.97 -131.41 -95.43 138.00 73.92 25.92 0.17 68.55 3.89 0.31 0.05 0.11 0.00 26.30 0.78 45 P C C 77.33 5.83 9.88 17.55 113.45 -107.19 -67.32 147.74 73.45 23.98 2.57 63.11 7.33 2.20 1.38 1.40 0.00 20.19 4.39 46 N C C 74.15 5.34 8.31 15.78 110.10 -121.65 -88.74 115.72 66.02 31.07 2.91 57.11 4.75 1.48 2.05 1.08 0.02 12.89 20.62 47 R C T 183.29 1.31 9.36 11.83 94.24 -154.82 -67.12 -28.25 58.01 1.90 40.09 6.70 9.88 41.02 5.18 35.15 0.10 1.13 0.85 48 V C T 128.19 0.73 9.68 10.28 96.38 52.38 -75.03 -32.48 61.60 1.18 37.23 5.21 8.70 46.67 4.62 33.42 0.04 0.69 0.65 49 T C T 93.76 1.99 9.29 12.26 99.61 32.62 -96.17 -6.55 62.39 0.84 36.77 3.97 7.85 49.47 4.67 33.05 0.02 0.49 0.47 50 G C T 59.39 1.31 10.91 12.94 95.94 -114.77 77.65 10.65 97.07 1.54 1.39 27.43 11.24 58.53 0.30 0.98 0.00 1.18 0.35 51 A C C 53.92 5.25 8.53 15.90 120.58 136.52 -90.26 149.20 69.89 29.04 1.07 55.15 11.49 2.39 0.40 0.80 0.00 17.67 12.10 52 E C C 149.82 1.66 13.94 16.31 113.10 -108.55 -80.41 136.77 64.49 34.74 0.77 51.31 9.37 2.64 0.27 0.66 0.00 25.79 9.97 53 G C C 33.05 9.69 10.74 21.11 125.77 26.31 -130.23 171.13 75.42 24.33 0.25 54.18 17.48 3.23 0.04 0.27 0.00 23.71 1.09 54 G E E 35.40 5.05 15.49 21.56 128.34 -134.96 -125.10 169.50 47.05 52.87 0.08 34.64 10.64 0.87 0.01 0.08 0.00 53.14 0.62 55 I E E 95.85 9.17 12.59 22.93 120.03 -80.10 -104.20 134.16 8.10 91.90 0.00 7.20 0.57 0.02 0.00 0.00 0.00 91.91 0.30 56 V E E 64.74 7.42 14.44 23.68 124.78 -171.85 -122.86 139.92 0.95 99.05 0.00 0.89 0.02 0.00 0.00 0.00 0.00 99.07 0.02 57 T E E 83.04 8.29 13.58 23.53 120.07 -143.79 -104.88 134.26 0.78 99.22 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.28 0.01 58 Q E E 75.54 7.79 16.18 25.54 132.09 175.56 -136.94 151.39 1.34 98.65 0.00 1.24 0.04 0.00 0.00 0.00 0.00 98.70 0.03 59 E E E 107.35 8.80 16.71 26.62 116.84 -119.62 -86.45 135.78 5.93 94.06 0.01 5.44 0.37 0.02 0.00 0.00 0.00 93.97 0.20 60 A E E 21.67 15.34 16.71 32.65 133.54 -175.69 -134.20 154.73 22.99 77.00 0.01 21.06 1.10 0.04 0.00 0.01 0.00 77.63 0.17 61 S E E 49.80 9.43 23.07 32.57 114.90 -106.01 -71.36 144.85 20.63 79.36 0.01 18.36 1.55 0.07 0.00 0.01 0.00 79.44 0.56 62 L E E 9.42 24.27 15.98 40.37 124.28 -163.08 -116.88 138.74 15.07 84.92 0.02 14.11 0.68 0.03 0.01 0.01 0.00 80.04 5.13 63 H E E 61.79 9.88 25.46 35.86 112.20 -126.96 -82.97 130.74 29.65 70.33 0.02 31.41 0.30 0.02 0.01 0.01 0.00 64.41 3.83 64 I H G 24.52 22.55 17.66 39.92 91.67 -130.72 -60.59 -31.25 6.32 0.29 93.39 0.66 0.66 3.94 0.59 93.89 0.00 0.26 0.01 65 S H G 49.05 11.20 23.10 34.98 90.43 65.99 -70.94 -15.72 5.68 0.22 94.09 0.23 0.43 4.19 0.43 94.52 0.00 0.20 0.00 66 N H G 46.21 14.35 22.65 37.41 97.13 55.38 -100.17 3.57 6.66 0.30 93.03 0.68 0.78 4.01 0.37 93.89 0.00 0.26 0.01 67 V E E 5.00 25.81 18.58 45.03 122.26 92.58 -104.86 139.08 33.27 65.98 0.75 28.60 4.11 0.34 0.41 0.43 0.00 60.23 5.88 68 A E E 19.22 16.31 26.16 42.07 125.91 -161.63 -116.63 144.42 22.71 77.22 0.07 22.54 0.55 0.05 0.03 0.03 0.00 75.46 1.35 69 I E E 16.33 21.43 22.87 43.81 117.60 -145.54 -106.05 128.80 11.79 88.15 0.05 10.54 1.14 0.09 0.02 0.03 0.00 87.64 0.54 70 L E E 34.79 14.15 20.93 35.80 117.55 -156.88 -105.98 127.48 4.17 95.79 0.04 3.81 0.22 0.02 0.07 0.01 0.00 84.76 11.11 71 N E E 24.80 13.23 15.49 30.78 108.70 -140.60 -90.02 114.60 47.95 52.02 0.03 47.96 0.62 0.06 0.01 0.02 0.00 49.56 1.77 72 A C T 56.73 8.37 15.35 25.32 93.22 -160.06 -66.72 -25.89 99.51 0.09 0.40 0.28 2.88 96.43 0.01 0.34 0.00 0.05 0.02 73 T C T 99.24 2.26 15.46 18.06 97.16 47.85 -75.40 -39.55 99.46 0.06 0.48 0.21 2.50 96.82 0.01 0.41 0.00 0.03 0.02 74 T C T 72.44 4.28 13.32 18.88 100.67 23.87 -102.14 -13.31 99.57 0.04 0.38 0.43 2.79 96.34 0.01 0.39 0.00 0.02 0.01 75 Q C T 124.53 5.15 13.40 20.70 94.50 -129.33 62.14 27.45 99.34 0.42 0.25 41.81 6.33 51.24 0.05 0.17 0.00 0.31 0.09 76 K C E 107.07 4.11 18.34 23.61 125.03 129.02 -105.77 149.57 51.40 48.51 0.09 40.09 11.06 0.69 0.02 0.09 0.00 45.73 2.32 77 A E E 42.70 14.19 15.69 29.88 115.43 -105.42 -71.99 142.90 5.23 94.74 0.03 4.81 0.30 0.03 0.02 0.01 0.00 83.79 11.05 78 D E E 31.12 16.08 17.75 33.74 129.13 -165.89 -123.47 156.43 33.28 66.70 0.02 28.92 2.57 0.12 0.00 0.02 0.00 68.16 0.21 79 R E E 94.57 10.80 23.39 34.18 120.17 -114.55 -101.74 138.69 14.60 85.38 0.02 12.78 1.19 0.07 0.00 0.01 0.00 85.35 0.58 80 V E E 20.67 21.31 16.79 37.55 119.96 -151.31 -105.03 135.04 9.19 90.80 0.01 8.79 0.19 0.01 0.00 0.00 0.00 90.82 0.18 81 G E E 12.69 11.20 22.51 34.64 140.28 160.37 -153.74 173.74 2.75 97.25 0.00 2.33 0.19 0.01 0.00 0.00 0.00 97.39 0.08 82 Y E E 92.93 14.29 17.07 31.17 127.49 -117.04 -124.30 143.36 2.19 97.81 0.00 1.94 0.10 0.00 0.00 0.00 0.00 97.88 0.07 83 Q E E 65.71 9.10 16.21 26.68 131.59 -167.85 -135.56 151.04 2.65 97.35 0.00 2.27 0.14 0.01 0.00 0.00 0.00 97.56 0.02 84 V E E 84.74 6.45 13.55 21.76 115.47 -130.37 -98.92 126.37 4.07 95.92 0.01 3.40 0.28 0.03 0.00 0.01 0.00 96.23 0.06 85 I E E 68.31 9.03 9.05 19.54 119.80 176.45 -130.03 120.85 6.99 92.92 0.08 4.37 1.72 0.64 0.01 0.07 0.00 92.65 0.51 86 D C T 134.81 0.58 11.85 11.59 93.39 -14.33 51.30 42.44 99.38 0.47 0.15 1.01 4.58 93.85 0.00 0.15 0.00 0.37 0.04 87 G C T 64.98 0.80 11.53 12.05 94.43 -50.12 79.06 2.03 99.76 0.14 0.10 1.09 5.25 93.43 0.00 0.11 0.00 0.11 0.01 88 V E E 79.16 4.48 12.04 18.62 124.58 105.58 -115.22 143.31 5.55 94.44 0.01 3.94 1.18 0.07 0.00 0.00 0.00 94.59 0.21 89 K E E 101.44 8.23 14.08 23.80 114.23 -122.82 -85.98 129.79 1.94 98.06 0.00 1.64 0.08 0.00 0.00 0.00 0.00 98.26 0.02 90 T E E 22.16 13.27 16.08 31.11 130.18 -177.56 -128.87 149.84 1.10 98.90 0.00 0.99 0.02 0.00 0.00 0.00 0.00 98.98 0.01 91 R E E 54.97 13.51 19.89 34.28 116.50 -129.88 -97.22 131.03 0.47 99.53 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.60 0.00 92 V E E 21.76 14.19 19.65 35.17 127.66 -170.58 -123.14 142.67 0.21 99.79 0.00 0.18 0.01 0.00 0.00 0.00 0.00 99.79 0.03 93 Y E E 27.21 15.45 15.45 32.60 109.31 -118.07 -78.06 123.93 4.87 95.12 0.01 4.62 0.13 0.01 0.00 0.00 0.00 94.78 0.45 94 K C T 97.47 9.80 17.12 27.91 93.78 -150.00 -66.89 -29.89 98.93 0.67 0.39 0.70 2.81 95.61 0.01 0.32 0.00 0.49 0.06 95 S C T 72.11 4.63 17.08 22.51 96.59 48.70 -77.79 -37.32 99.34 0.22 0.44 0.17 1.67 97.68 0.01 0.31 0.00 0.09 0.07 96 T C T 75.09 3.94 15.81 20.61 101.92 21.04 -107.59 -14.38 99.43 0.13 0.44 0.51 2.71 96.30 0.02 0.36 0.00 0.07 0.03 97 G C C 37.95 9.51 12.94 23.59 95.02 -124.36 77.82 8.47 98.99 0.84 0.18 82.18 7.42 9.37 0.04 0.14 0.00 0.61 0.23 98 E C C 99.50 3.89 17.65 22.81 117.86 143.74 -77.57 143.82 90.83 9.07 0.10 86.36 4.12 0.28 0.03 0.06 0.00 8.56 0.59 99 S E E 64.66 8.80 16.50 26.29 113.57 -111.41 -74.17 136.23 4.28 95.65 0.08 4.05 0.25 0.03 0.09 0.02 0.00 73.97 21.59 100 V E E 34.23 17.27 12.65 29.59 115.96 -167.62 -109.84 129.95 29.33 70.07 0.60 26.76 1.62 0.36 0.19 0.34 0.00 70.07 0.66 101 A E E 68.25 4.59 20.69 25.62 119.62 -105.96 -86.90 142.15 44.54 53.56 1.90 36.88 5.08 1.63 0.53 1.24 0.00 53.68 0.96 102 V C C 60.80 14.72 11.33 25.59 119.50 -154.10 -105.72 133.52 65.26 31.10 3.64 52.84 7.61 3.88 1.04 2.61 0.00 29.96 2.05 103 A C C 60.45 6.83 11.81 20.15 114.84 -140.85 -91.45 140.57 80.09 17.54 2.37 74.51 1.74 3.55 0.65 1.45 0.00 16.01 2.09 104 K C C 148.87 3.14 13.78 18.54 111.01 -119.48 -86.48 125.60 99.77 0.22 0.01 99.74 0.07 0.03 0.00 0.00 0.00 0.14 0.01