# 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 113.06 6.28 15.48 22.97 115.57 -149.76 -92.83 131.13 99.86 0.13 0.01 99.85 0.05 0.02 0.00 0.00 0.00 0.07 0.01 1 A C C 58.63 9.86 12.38 23.09 116.99 -149.81 -93.52 139.69 90.42 7.55 2.04 87.70 1.05 2.48 0.66 0.91 0.00 5.02 2.18 2 A C C 44.55 12.00 13.87 26.46 115.86 -132.42 -88.73 136.83 89.81 7.97 2.22 66.20 16.21 7.15 0.39 2.15 0.00 6.50 1.41 3 K C C 111.71 7.41 21.92 29.60 112.55 -131.27 -91.14 124.12 84.79 13.14 2.08 62.70 17.17 4.69 0.49 1.77 0.00 9.89 3.28 4 I C C 8.81 25.15 12.09 37.18 120.69 -127.50 -103.13 135.38 84.19 15.43 0.38 79.04 4.84 0.25 0.20 0.16 0.00 6.60 8.91 5 R C C 104.68 5.70 24.03 29.89 131.09 -165.43 -119.67 159.22 96.63 3.25 0.13 96.27 0.86 0.10 0.04 0.04 0.00 1.40 1.29 6 R C T 118.41 11.08 15.80 27.09 109.75 -87.96 -61.46 138.90 99.11 0.65 0.24 0.30 1.60 97.52 0.01 0.14 0.00 0.35 0.08 7 D C T 102.31 3.65 20.76 25.01 93.56 16.48 73.86 6.41 99.70 0.21 0.09 0.31 1.79 97.67 0.00 0.06 0.00 0.15 0.01 8 D C C 27.51 15.74 14.57 31.17 118.61 137.38 -73.42 147.08 96.28 3.71 0.02 93.30 2.87 0.09 0.00 0.02 0.00 3.61 0.11 9 E E E 81.06 8.39 24.63 33.48 114.93 -120.48 -85.37 132.86 4.05 95.93 0.02 4.24 0.11 0.01 0.01 0.01 0.00 94.63 1.00 10 V E E 3.29 25.72 17.06 43.44 131.20 -173.95 -128.43 149.78 1.39 98.60 0.01 1.30 0.06 0.01 0.00 0.00 0.00 98.56 0.06 11 I E E 32.97 11.80 26.04 38.99 118.77 -141.20 -109.19 130.46 2.33 97.53 0.14 2.11 0.19 0.08 0.05 0.08 0.00 97.37 0.12 12 V E E 10.01 21.54 17.56 39.88 109.61 -125.82 -79.47 122.97 15.45 84.44 0.11 14.99 0.58 0.11 0.03 0.07 0.00 83.37 0.85 13 L C C 49.25 11.51 21.32 33.70 99.79 176.33 -98.76 -23.77 90.74 9.03 0.23 64.97 23.50 1.84 0.03 0.24 0.00 8.82 0.60 14 T C S 60.46 4.91 22.04 27.64 139.64 14.57 -149.90 158.27 95.81 3.64 0.55 12.75 78.93 4.50 0.08 0.40 0.00 2.07 1.28 15 G C S 36.82 4.59 18.66 24.39 127.00 33.00 89.93 -165.20 91.40 1.42 7.18 6.66 75.10 10.19 0.58 5.90 0.00 0.54 1.02 16 K C T 156.65 2.25 18.29 20.97 93.44 -42.02 -69.75 -21.79 86.32 0.78 12.91 1.74 21.68 62.71 0.45 12.55 0.00 0.38 0.49 17 D C T 38.36 15.18 12.70 28.33 96.41 50.84 -98.77 8.73 88.33 0.88 10.79 4.86 11.35 70.83 0.49 11.53 0.00 0.53 0.40 18 K C T 100.82 10.96 13.69 25.78 110.85 132.17 -61.39 132.37 96.73 0.96 2.31 1.80 2.72 92.48 0.28 1.76 0.00 0.47 0.49 19 G C T 48.86 4.00 19.62 24.28 94.25 21.32 86.47 -2.91 98.26 0.70 1.05 1.76 3.39 93.14 0.09 0.96 0.00 0.56 0.11 20 K C C 81.82 10.16 17.84 28.99 119.29 125.85 -77.71 145.46 96.02 3.76 0.21 91.09 4.15 0.66 0.04 0.19 0.00 3.62 0.27 21 R E E 119.96 10.09 19.98 31.08 127.07 -151.68 -116.73 144.56 8.23 91.70 0.08 7.84 0.55 0.06 0.06 0.03 0.00 85.75 5.70 22 G E E 9.57 15.16 20.34 35.91 143.34 149.17 -159.48 175.74 4.71 95.27 0.02 3.92 0.51 0.04 0.00 0.01 0.00 95.46 0.06 23 K E E 94.89 6.66 25.66 33.13 120.07 -81.56 -97.82 139.11 2.21 97.78 0.01 1.93 0.15 0.01 0.00 0.01 0.00 97.84 0.06 24 V E E 7.40 24.64 12.92 38.31 110.08 -115.79 -75.56 125.92 3.47 96.48 0.05 3.41 0.09 0.01 0.01 0.03 0.00 96.35 0.09 25 K E E 100.63 5.77 22.44 28.88 100.42 176.31 -96.74 -29.80 4.34 95.54 0.12 3.16 0.92 0.08 0.02 0.10 0.00 95.67 0.06 26 N E E 77.17 4.68 24.50 29.83 138.59 0.22 -153.44 151.62 1.26 98.70 0.04 0.91 0.17 0.02 0.00 0.02 0.00 98.84 0.02 27 V E E 44.20 19.36 13.54 31.91 120.75 -148.90 -116.03 128.32 1.83 98.13 0.04 1.64 0.12 0.02 0.01 0.01 0.00 97.92 0.28 28 L C C 48.89 10.15 14.06 25.89 118.88 -135.65 -81.24 154.41 56.24 43.57 0.19 53.57 1.18 0.28 0.04 0.12 0.00 44.05 0.77 29 S C T 91.54 2.30 14.93 18.35 92.90 -110.15 -63.86 -23.16 85.19 11.85 2.96 10.27 8.33 66.96 0.24 2.83 0.00 10.81 0.56 30 S C T 76.29 2.87 17.08 20.19 94.18 56.32 -85.27 1.42 97.81 0.43 1.76 17.88 7.03 72.68 0.17 1.83 0.00 0.32 0.09 31 G C C 18.88 13.69 14.87 29.06 97.87 -103.35 86.45 7.30 97.01 1.07 1.92 39.07 33.32 23.96 0.10 2.53 0.00 0.82 0.19 32 K C C 62.40 10.22 20.96 32.03 121.08 133.63 -87.53 148.44 51.70 48.27 0.03 49.18 1.35 0.10 0.00 0.02 0.00 48.64 0.71 33 V E E 5.92 23.71 17.16 41.60 120.10 -147.60 -110.64 131.07 0.59 99.41 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.41 0.03 34 I E E 38.30 10.68 26.18 37.95 117.08 -157.24 -108.13 125.73 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 35 V E E 5.89 24.34 16.15 41.07 116.69 -165.50 -109.63 124.52 0.30 99.70 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.01 36 E E E 94.27 6.83 23.26 30.41 119.92 -156.93 -97.02 143.62 11.89 88.06 0.06 6.09 3.41 1.60 0.00 0.07 0.00 88.70 0.13 37 G E E 34.72 6.19 22.62 29.51 99.67 19.20 80.07 14.20 45.87 54.01 0.12 11.17 27.44 5.47 0.01 0.12 0.00 55.60 0.18 38 I E E 28.49 22.11 12.86 33.83 114.23 140.54 -90.44 125.29 45.69 53.92 0.39 39.22 4.99 0.91 0.06 0.31 0.00 53.91 0.60 39 N E E 78.27 7.35 22.06 29.61 107.08 -154.51 -101.87 78.55 39.07 60.61 0.32 28.45 8.88 1.80 0.04 0.30 0.00 59.87 0.66 40 L E E 59.50 14.61 15.08 29.70 117.03 -140.05 -96.41 131.72 16.20 83.66 0.13 13.57 2.33 0.29 0.03 0.10 0.00 82.95 0.73 41 V E E 53.40 10.79 15.56 27.63 123.48 -169.81 -119.41 137.88 6.07 93.90 0.04 5.36 0.54 0.05 0.01 0.02 0.00 93.76 0.25 42 K E E 118.51 7.25 15.03 23.70 116.90 -142.81 -99.76 130.09 4.89 95.08 0.03 4.14 0.49 0.06 0.00 0.02 0.00 95.19 0.11 43 K E E 105.98 6.93 13.80 22.26 122.41 -164.64 -115.22 139.58 7.28 92.64 0.07 6.06 0.87 0.13 0.01 0.04 0.00 92.72 0.16 44 H E E 111.04 6.87 11.95 20.42 116.87 -135.79 -97.80 134.29 13.60 86.27 0.13 11.90 1.40 0.23 0.03 0.07 0.00 85.69 0.68 45 Q E E 92.76 7.17 11.32 20.19 120.59 -162.64 -106.66 138.49 35.41 64.40 0.19 30.20 4.71 0.46 0.06 0.14 0.00 62.64 1.79 46 K C C 135.28 3.05 13.08 17.56 115.66 -118.50 -85.22 138.38 74.92 24.91 0.17 65.18 7.69 0.47 0.05 0.12 0.00 25.66 0.83 47 P C C 76.88 6.81 9.77 18.29 112.46 -105.39 -67.46 147.24 81.21 17.38 1.41 66.21 12.27 2.26 0.58 0.88 0.00 15.55 2.25 48 V C C 75.67 4.87 8.97 15.98 114.92 -134.29 -100.68 128.02 82.15 13.99 3.86 66.02 12.10 2.59 2.33 1.80 0.00 7.14 8.02 49 P C G 107.04 1.95 9.65 12.86 96.79 -129.70 -66.05 -29.85 51.62 1.83 46.55 17.78 9.44 24.51 5.99 40.58 0.01 1.10 0.59 50 A C G 90.53 1.18 9.45 11.24 97.02 56.55 -74.63 -18.25 51.00 1.50 47.51 14.28 9.38 27.54 5.77 41.57 0.01 0.86 0.59 51 L C G 102.71 3.59 8.26 13.49 101.30 46.43 -92.93 10.52 54.65 1.39 43.96 12.39 12.45 30.23 4.28 39.25 0.01 0.71 0.68 52 N C T 134.82 1.24 11.57 13.46 96.92 -121.86 55.50 33.77 93.63 1.67 4.69 27.40 16.87 49.32 0.73 4.10 0.00 1.05 0.52 53 Q C C 96.80 4.39 10.01 16.52 122.90 121.65 -110.24 144.13 84.10 15.31 0.60 46.67 37.01 1.79 0.19 0.45 0.00 8.75 5.15 54 P C C 105.33 2.29 13.37 16.73 112.08 -101.99 -67.72 143.40 82.02 17.02 0.96 62.75 12.14 6.97 0.20 0.95 0.00 13.96 3.03 55 G C C 35.81 9.53 10.70 20.90 122.70 -139.31 -118.16 174.51 78.92 20.49 0.59 49.40 19.75 9.45 0.07 0.63 0.00 19.51 1.19 56 G E E 34.33 5.70 15.13 22.05 125.84 -158.42 127.92 -174.71 42.12 57.66 0.21 30.09 10.25 1.69 0.03 0.22 0.00 57.00 0.73 57 I E E 90.99 9.38 13.07 23.55 121.36 -77.63 -106.48 134.86 7.17 92.82 0.01 6.37 0.57 0.04 0.00 0.01 0.00 92.63 0.38 58 V E E 59.94 8.86 13.88 24.46 122.08 -166.58 -116.75 136.27 1.87 98.13 0.00 1.74 0.06 0.00 0.00 0.00 0.00 98.11 0.08 59 E E E 117.68 7.33 14.22 23.30 119.42 -151.44 -106.97 132.54 3.54 96.45 0.01 2.78 0.48 0.03 0.00 0.00 0.00 96.66 0.05 60 K E E 96.69 6.13 16.98 24.61 131.65 148.11 -136.44 150.03 5.44 94.52 0.04 4.52 0.65 0.07 0.01 0.02 0.00 94.63 0.10 61 E E E 97.70 11.29 15.57 27.29 117.23 -117.52 -85.71 136.28 11.28 88.67 0.05 10.48 0.64 0.07 0.01 0.02 0.00 88.48 0.30 62 A E E 24.44 13.53 17.91 32.37 134.75 169.70 -137.66 155.48 23.01 76.96 0.03 21.45 0.90 0.06 0.01 0.02 0.00 77.32 0.26 63 A E E 50.92 10.33 21.94 32.27 115.46 -106.27 -73.97 142.61 17.80 82.18 0.01 16.14 1.06 0.05 0.00 0.01 0.00 82.40 0.35 64 I E E 11.31 23.59 15.63 39.34 124.79 -163.33 -120.24 139.74 8.28 91.72 0.01 8.02 0.34 0.01 0.00 0.00 0.00 89.55 2.08 65 Q E E 67.41 8.15 25.05 33.82 109.30 -119.23 -77.58 125.55 20.49 79.49 0.01 21.75 0.22 0.01 0.00 0.01 0.00 76.39 1.63 66 V H G 21.87 22.54 15.82 38.12 91.86 -138.26 -62.68 -30.63 7.22 0.47 92.31 1.24 0.87 3.89 0.71 92.78 0.00 0.50 0.01 67 S H G 58.54 8.86 22.33 32.02 90.56 67.10 -71.22 -15.17 6.56 0.36 93.08 0.42 0.61 4.63 0.48 93.51 0.00 0.35 0.01 68 N H G 57.90 11.81 21.77 34.30 97.20 55.12 -99.36 4.14 7.59 0.42 91.99 0.91 0.97 4.49 0.43 92.80 0.00 0.40 0.01 69 V E E 6.65 24.96 16.84 42.21 122.23 94.28 -103.49 139.27 34.92 64.06 1.03 29.87 4.64 0.49 0.49 0.63 0.00 59.08 4.80 70 A E E 23.89 14.04 25.39 39.49 125.27 -161.23 -114.42 141.23 24.66 75.26 0.07 24.12 0.69 0.07 0.03 0.03 0.00 73.64 1.41 71 I E E 20.86 20.34 20.75 40.72 117.97 -144.54 -105.02 129.36 12.99 86.96 0.05 11.53 1.44 0.11 0.02 0.03 0.00 86.41 0.45 72 F E E 59.69 11.97 19.53 32.49 118.85 -156.64 -106.96 129.49 3.45 96.51 0.04 3.30 0.17 0.01 0.07 0.01 0.00 79.75 16.69 73 N C C 33.55 11.74 13.71 27.56 108.57 -132.68 -85.87 116.26 68.21 31.76 0.03 68.17 0.61 0.05 0.01 0.02 0.00 29.73 1.41 74 A C T 70.89 5.62 13.91 21.48 92.87 -155.96 -65.78 -26.99 99.69 0.06 0.25 0.26 2.85 96.66 0.01 0.18 0.00 0.04 0.01 75 A C T 88.57 1.31 14.32 15.37 96.80 48.14 -75.46 -39.47 99.68 0.05 0.27 0.09 1.93 97.76 0.00 0.18 0.00 0.02 0.01 76 T C T 79.50 3.15 13.16 17.23 101.08 21.26 -104.09 -17.08 99.74 0.04 0.22 0.22 2.28 97.30 0.00 0.16 0.00 0.02 0.01 77 G C C 42.38 6.38 12.17 20.43 96.16 -125.33 76.88 7.15 99.37 0.43 0.20 70.69 8.47 20.20 0.04 0.16 0.00 0.32 0.12 78 K C C 111.84 3.53 18.35 22.85 119.92 134.13 -84.20 146.59 84.78 15.15 0.07 73.61 10.91 0.47 0.02 0.07 0.00 13.50 1.43 79 A E E 43.19 14.04 14.95 29.04 115.96 -108.65 -74.21 142.16 4.76 95.20 0.03 4.47 0.28 0.03 0.04 0.01 0.00 73.48 21.69 80 D E E 36.87 14.14 17.78 32.24 127.77 -170.35 -123.50 157.84 35.55 64.42 0.03 30.31 3.43 0.15 0.00 0.02 0.00 65.87 0.21 81 R E E 97.51 10.43 22.21 32.80 118.51 -108.63 -97.03 136.41 14.96 85.01 0.02 12.93 1.61 0.08 0.00 0.02 0.00 84.97 0.40 82 V E E 20.33 20.25 16.63 36.74 120.08 -151.09 -107.30 134.46 7.41 92.58 0.01 7.05 0.18 0.01 0.00 0.00 0.00 92.64 0.11 83 G E E 12.21 11.85 22.09 34.79 135.24 165.51 -134.38 167.35 1.47 98.53 0.00 1.26 0.07 0.00 0.00 0.00 0.00 98.64 0.03 84 F E E 68.65 15.81 16.25 31.79 129.40 -139.86 -129.21 144.40 0.83 99.17 0.00 0.73 0.03 0.00 0.00 0.00 0.00 99.21 0.02 85 R E E 93.44 7.92 17.43 26.56 131.71 -174.37 -132.73 151.09 1.20 98.80 0.00 1.01 0.08 0.01 0.00 0.00 0.00 98.88 0.03 86 F E E 105.35 8.37 12.10 22.00 116.24 -132.37 -100.99 127.96 7.73 92.25 0.02 6.59 0.69 0.08 0.00 0.02 0.00 92.49 0.13 87 E E E 93.18 6.07 9.67 17.77 121.61 173.40 -133.23 126.90 14.19 85.46 0.35 7.19 3.90 2.73 0.04 0.37 0.00 85.19 0.58 88 D C T 137.52 0.40 11.64 10.61 93.10 -13.99 52.14 39.69 99.30 0.32 0.38 0.91 6.63 91.69 0.01 0.50 0.00 0.23 0.04 89 G C T 64.21 0.92 10.76 11.86 94.61 -51.20 79.57 2.81 99.47 0.17 0.36 1.02 8.54 89.82 0.00 0.47 0.00 0.12 0.02 90 K E E 120.01 2.79 12.35 16.95 125.26 104.67 -114.07 145.22 9.81 90.18 0.01 6.94 2.43 0.16 0.00 0.01 0.00 90.14 0.31 91 K E E 106.08 7.94 12.99 22.51 114.79 -120.55 -84.48 130.51 2.48 97.52 0.00 2.19 0.08 0.00 0.00 0.00 0.00 97.69 0.04 92 V E E 27.88 12.55 15.25 29.72 127.57 -173.62 -125.01 145.09 1.01 98.99 0.00 0.94 0.01 0.00 0.00 0.00 0.00 99.04 0.01 93 R E E 69.75 12.08 19.14 32.12 116.84 -135.08 -98.76 131.20 0.42 99.58 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.63 0.00 94 F E E 31.52 13.35 18.66 33.56 128.42 -172.59 -125.95 146.85 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.83 0.02 95 F E E 22.93 15.20 14.68 31.69 109.98 -117.77 -78.77 125.23 3.34 96.66 0.00 3.14 0.10 0.01 0.00 0.00 0.00 96.38 0.37 96 K C T 100.24 8.85 16.73 26.66 94.41 -149.84 -67.50 -32.99 98.13 1.34 0.54 1.26 3.42 93.65 0.02 0.51 0.00 1.02 0.12 97 S C T 73.98 3.94 16.42 21.01 97.10 47.80 -76.52 -37.30 99.07 0.29 0.64 0.25 2.00 96.96 0.01 0.56 0.00 0.15 0.07 98 N C T 83.77 4.47 14.43 20.02 101.99 19.85 -109.13 -7.35 99.24 0.22 0.55 0.83 3.30 95.10 0.02 0.56 0.00 0.14 0.04 99 S C C 70.47 7.14 13.04 21.80 94.63 -127.56 69.67 17.75 98.92 0.83 0.25 69.92 6.87 22.12 0.05 0.20 0.00 0.67 0.18 100 E C C 97.73 4.15 15.56 21.33 118.51 141.64 -79.62 145.04 80.04 19.90 0.06 74.39 4.52 0.32 0.01 0.06 0.00 20.01 0.69 101 T E E 78.83 7.32 14.60 23.41 114.86 -119.95 -85.72 132.37 3.08 96.90 0.02 2.85 0.21 0.01 0.04 0.01 0.00 73.80 23.09 102 I E E 51.58 14.33 10.24 24.75 114.76 -159.46 -99.80 128.92 34.10 65.83 0.08 34.27 0.50 0.09 0.03 0.04 0.00 63.99 1.07 103 K C C 143.06 3.12 16.66 20.84 112.63 -131.95 -87.50 130.51 99.46 0.53 0.00 99.52 0.05 0.01 0.00 0.00 0.00 0.41 0.01