# 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 R C C 113.95 10.10 17.96 28.18 115.25 -160.59 -99.45 129.22 99.75 0.25 0.00 99.76 0.06 0.01 0.00 0.00 0.00 0.17 0.01 1 H E E 77.51 11.50 18.17 29.99 121.97 -158.45 -110.20 136.61 49.50 50.45 0.05 48.54 0.58 0.14 0.01 0.04 0.00 49.81 0.89 2 Y E E 29.65 18.73 16.47 35.34 128.91 -169.76 -124.53 145.41 14.27 85.70 0.03 13.18 0.73 0.05 0.00 0.02 0.00 85.65 0.36 3 E E E 44.17 13.83 23.53 37.55 123.36 -156.36 -115.86 136.49 4.10 95.89 0.01 3.78 0.19 0.01 0.00 0.00 0.00 95.96 0.05 4 I E E 8.77 22.90 21.31 44.11 121.60 -162.20 -114.36 130.81 1.77 98.23 0.00 1.68 0.05 0.00 0.00 0.00 0.00 98.25 0.02 5 V E E 15.46 18.42 25.83 43.92 120.41 -163.67 -114.65 129.38 0.70 99.30 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.34 0.01 6 F E E 6.93 24.33 24.78 48.42 125.24 -169.80 -119.51 134.35 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 7 L E E 13.78 20.34 27.49 47.12 116.05 -156.06 -104.52 124.55 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.01 8 V E E 4.61 24.07 21.26 45.26 131.06 172.31 -129.39 149.27 4.24 95.76 0.00 4.17 0.11 0.00 0.00 0.00 0.00 95.43 0.28 9 H C C 44.09 12.88 22.49 35.87 110.74 -113.60 -79.52 128.71 88.11 11.87 0.02 87.32 0.82 0.03 0.00 0.01 0.00 11.66 0.15 10 P H G 44.10 14.95 15.37 30.72 93.89 -129.44 -62.44 -28.96 41.22 1.48 57.30 13.22 6.07 21.16 3.61 54.64 0.00 1.06 0.25 11 D H G 112.60 1.96 19.72 21.38 93.26 63.27 -76.17 -10.52 44.94 0.59 54.47 9.23 7.19 26.32 3.95 52.76 0.00 0.33 0.21 12 Q C G 61.00 12.37 12.73 25.71 99.84 57.73 -100.01 15.62 50.94 0.63 48.43 28.62 8.58 10.76 4.55 46.93 0.00 0.33 0.23 13 S H G 54.29 12.34 12.35 24.79 94.73 119.48 -62.39 -36.80 37.37 0.40 62.23 18.76 6.11 11.89 15.53 47.32 0.00 0.19 0.19 14 E H G 157.16 0.94 17.91 17.23 92.41 55.19 -69.32 -24.87 35.15 0.25 64.60 5.52 5.40 22.58 17.01 49.20 0.01 0.12 0.16 15 Q H G 90.72 7.84 16.00 24.70 97.85 48.26 -91.49 -9.01 31.95 0.26 67.79 7.84 3.84 18.71 23.45 45.88 0.01 0.14 0.13 16 V H H 18.22 21.76 12.11 33.02 92.98 83.65 -61.71 -43.66 4.92 0.03 95.05 2.10 0.90 1.82 94.04 1.13 0.00 0.01 0.01 17 G H H 37.86 5.90 20.70 27.23 92.13 51.84 -62.32 -41.25 3.35 0.02 96.63 0.73 0.26 2.12 95.63 1.25 0.00 0.01 0.00 18 G H H 32.81 3.12 22.53 25.13 91.85 50.08 -64.59 -40.96 2.38 0.02 97.60 0.59 0.21 1.42 96.59 1.17 0.00 0.01 0.00 19 M H H 18.03 18.63 18.76 37.32 92.05 51.04 -64.59 -43.10 0.97 0.01 99.02 0.33 0.11 0.42 98.83 0.30 0.00 0.00 0.00 20 V H H 15.50 21.00 18.76 39.29 91.42 50.52 -63.03 -42.95 0.29 0.00 99.71 0.07 0.02 0.13 99.73 0.04 0.00 0.00 0.00 21 E H H 112.19 2.94 24.63 27.15 91.36 50.80 -63.49 -41.30 0.12 0.00 99.88 0.02 0.00 0.06 99.89 0.02 0.00 0.00 0.00 22 R H H 103.95 6.82 23.55 30.63 91.69 49.51 -64.52 -42.01 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 23 Y H H 5.65 25.19 18.69 43.77 91.80 49.08 -64.66 -43.01 0.12 0.00 99.88 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 24 T H H 33.80 15.83 20.90 36.20 91.31 51.73 -62.39 -42.09 0.16 0.00 99.84 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 25 K H H 116.53 1.96 25.88 25.96 91.79 50.80 -64.44 -41.37 0.32 0.00 99.68 0.03 0.01 0.19 99.75 0.02 0.00 0.00 0.00 26 A H H 15.05 12.54 19.98 33.91 91.57 50.41 -64.05 -42.99 0.41 0.00 99.59 0.04 0.03 0.25 99.64 0.04 0.00 0.00 0.00 27 I H H 3.89 25.26 13.74 39.37 91.78 49.45 -64.14 -43.16 0.70 0.01 99.29 0.11 0.06 0.43 99.29 0.11 0.00 0.00 0.00 28 E H H 114.89 5.90 18.63 25.79 91.88 50.54 -63.29 -40.76 1.35 0.01 98.64 0.17 0.07 0.98 98.45 0.32 0.00 0.00 0.00 29 E H H 147.25 1.28 19.44 19.71 90.99 53.13 -65.70 -28.06 9.26 0.01 90.73 0.16 0.23 9.25 89.93 0.40 0.01 0.00 0.01 30 D C T 55.06 12.06 14.07 26.99 95.09 48.42 -93.79 5.54 82.54 0.02 17.44 0.23 0.96 80.84 17.45 0.48 0.00 0.01 0.02 31 G C T 47.34 2.90 22.04 24.73 97.89 -98.63 90.19 9.82 99.80 0.02 0.18 0.81 1.53 97.55 0.07 0.03 0.00 0.01 0.00 32 G C C 7.95 22.29 9.84 31.06 124.62 132.46 -86.88 162.00 91.62 8.36 0.02 87.95 2.94 0.13 0.00 0.01 0.00 8.81 0.14 33 K E E 114.54 3.34 25.03 28.60 125.31 -143.65 -124.11 141.73 13.11 86.87 0.02 12.48 0.49 0.03 0.01 0.01 0.00 86.64 0.34 34 I E E 50.61 19.89 12.89 32.05 110.21 -122.74 -80.52 122.53 1.36 98.64 0.00 1.40 0.02 0.00 0.00 0.00 0.00 98.52 0.05 35 H E E 95.60 6.02 18.79 26.04 101.34 176.40 -92.99 -34.87 2.49 97.50 0.01 1.69 0.48 0.03 0.00 0.00 0.00 97.79 0.01 36 R E E 112.49 4.24 22.19 27.25 138.88 -1.41 -154.61 149.79 1.31 98.68 0.01 0.91 0.17 0.01 0.00 0.00 0.00 98.89 0.01 37 L E E 60.55 19.86 11.73 30.10 124.27 -163.04 -129.67 129.14 1.27 98.72 0.01 1.10 0.05 0.00 0.00 0.00 0.00 98.82 0.01 38 E E E 89.84 5.57 19.94 26.48 124.87 -174.12 -125.03 138.17 2.83 97.16 0.01 2.30 0.24 0.02 0.00 0.00 0.00 97.41 0.03 39 D E E 90.55 7.45 15.61 24.57 109.98 -124.13 -83.47 120.11 8.78 91.21 0.01 7.76 0.37 0.02 0.00 0.01 0.00 91.79 0.05 40 W E E 98.52 11.51 13.54 25.99 100.13 175.57 -101.69 -2.57 15.23 84.62 0.15 12.37 1.73 0.35 0.04 0.08 0.00 85.27 0.15 41 G E E 29.34 4.03 18.72 23.68 128.81 -116.55 99.38 -170.55 7.08 92.81 0.11 4.14 2.43 0.49 0.02 0.07 0.00 92.73 0.11 42 R E E 141.14 7.35 14.77 23.68 118.37 -44.28 -96.92 135.33 3.37 96.49 0.14 2.85 0.33 0.08 0.06 0.05 0.00 96.56 0.07 43 R E E 93.41 9.82 14.14 25.40 129.69 -176.83 -132.61 147.11 1.96 97.92 0.12 1.71 0.15 0.05 0.06 0.03 0.00 97.94 0.07 44 Q E E 122.74 3.47 16.78 21.69 114.70 -120.67 -85.97 131.84 2.97 96.93 0.11 2.73 0.16 0.04 0.07 0.03 0.00 96.82 0.15 45 L E E 42.70 16.27 8.22 23.80 113.55 -128.02 -81.94 133.58 36.31 63.41 0.28 34.66 0.92 0.15 0.12 0.10 0.00 63.61 0.44 46 A C S 81.77 2.27 15.42 18.29 95.02 -146.52 -73.10 -26.41 67.33 32.51 0.17 14.87 47.40 3.63 0.01 0.15 0.00 33.54 0.39 47 Y C S 131.48 3.25 14.79 18.99 127.44 29.51 -133.92 149.32 61.76 38.10 0.13 6.76 51.50 3.27 0.01 0.11 0.00 37.88 0.47 48 A C C 71.78 5.15 12.61 19.47 113.61 -102.12 -71.19 137.84 57.46 42.16 0.38 52.89 2.98 0.55 0.09 0.28 0.00 41.79 1.42 49 I E C 59.44 11.88 8.61 21.08 120.11 -173.48 -125.27 123.00 47.94 51.07 0.99 40.29 4.38 1.76 0.39 0.70 0.00 36.22 16.25 50 N C T 130.88 1.58 13.66 15.63 94.76 -16.44 53.38 38.67 95.60 2.82 1.58 10.76 29.92 55.01 0.15 1.49 0.00 2.22 0.45 51 N C T 129.50 1.91 14.32 16.92 95.82 -50.00 65.82 15.34 95.15 3.61 1.24 9.69 32.07 53.50 0.09 1.24 0.00 2.97 0.43 52 V E E 49.84 10.99 11.40 23.86 118.30 115.28 -106.79 127.89 30.86 68.92 0.22 24.88 4.38 0.88 0.06 0.19 0.00 66.17 3.44 53 H E E 87.88 8.72 16.86 26.68 104.34 -172.87 -100.62 -14.05 25.69 74.25 0.06 18.16 6.17 0.66 0.01 0.05 0.00 74.49 0.46 54 K E E 84.43 9.04 21.32 30.65 128.08 29.60 -129.28 138.92 11.95 88.00 0.05 8.82 2.50 0.42 0.01 0.04 0.00 87.99 0.22 55 A E E 9.73 20.71 16.14 36.80 135.22 -174.33 -139.86 155.87 5.59 94.39 0.02 4.82 0.56 0.05 0.00 0.02 0.00 94.47 0.08 56 H E E 34.10 13.65 22.44 37.00 123.58 -147.41 -116.03 136.68 1.29 98.69 0.02 1.19 0.13 0.01 0.01 0.01 0.00 98.61 0.04 57 Y E E 39.47 16.16 21.26 37.65 120.17 -155.40 -108.99 130.23 0.24 99.76 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.01 58 V E E 13.37 18.51 20.53 39.62 121.84 -167.88 -117.70 130.98 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 59 L E E 33.92 13.72 23.83 38.03 119.19 -162.48 -111.19 127.03 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 60 M E E 15.89 20.52 20.08 40.60 123.42 -170.12 -118.42 133.97 0.28 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.00 61 N E E 43.50 11.64 25.21 37.33 118.41 -159.81 -107.98 126.79 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 62 V E E 8.79 22.93 17.82 40.88 125.43 -172.12 -123.67 136.72 0.25 99.75 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.01 63 E E E 82.51 8.35 25.81 34.60 117.90 -154.40 -106.73 126.21 2.79 97.20 0.00 2.36 0.32 0.01 0.00 0.00 0.00 97.22 0.08 64 C E E 12.57 19.76 14.87 34.91 140.30 148.99 -151.50 165.00 31.33 68.63 0.04 27.28 3.17 0.10 0.01 0.02 0.00 68.94 0.49 65 S C C 45.46 5.31 21.26 26.88 117.46 -92.62 -71.50 158.39 84.95 14.93 0.12 82.90 1.74 0.10 0.06 0.03 0.00 14.73 0.44 66 A H H 65.56 7.62 15.48 24.47 91.53 -105.74 -58.50 -37.45 4.19 0.01 95.80 0.57 0.63 2.81 94.21 1.76 0.00 0.00 0.00 67 K H H 143.36 1.33 20.94 20.73 91.52 53.74 -64.70 -38.97 2.30 0.01 97.69 0.29 0.22 1.66 96.18 1.63 0.00 0.00 0.00 68 A H H 15.42 14.94 16.30 32.12 92.04 48.76 -66.27 -40.19 0.97 0.01 99.03 0.21 0.09 0.58 97.63 1.49 0.00 0.00 0.00 69 L H H 23.69 19.86 15.63 35.00 91.57 53.51 -62.51 -42.60 0.38 0.00 99.61 0.08 0.03 0.21 99.26 0.43 0.00 0.00 0.00 70 A H H 57.56 3.06 22.65 25.05 91.46 51.29 -63.52 -41.46 0.56 0.00 99.43 0.08 0.03 0.36 99.26 0.27 0.00 0.00 0.00 71 E H H 91.58 4.55 21.95 26.62 91.75 49.73 -64.93 -41.30 0.84 0.00 99.16 0.10 0.04 0.58 98.96 0.32 0.00 0.00 0.00 72 L H H 7.31 23.06 15.50 38.76 91.99 49.97 -64.18 -42.51 1.21 0.01 98.78 0.23 0.09 0.75 98.36 0.56 0.00 0.00 0.00 73 E H H 72.88 13.33 19.01 31.93 91.54 52.06 -62.35 -41.69 2.95 0.02 97.04 0.47 0.20 2.01 96.44 0.87 0.00 0.01 0.00 74 D H H 93.79 1.65 22.26 21.91 92.28 49.26 -65.94 -39.95 8.85 0.04 91.11 0.87 0.62 7.06 89.75 1.65 0.01 0.02 0.01 75 N H H 60.17 9.25 18.45 28.46 92.84 48.63 -68.06 -37.89 16.42 0.08 83.50 1.74 1.40 13.03 81.35 2.36 0.03 0.04 0.04 76 F H H 18.68 21.31 12.63 33.44 95.65 48.21 -79.34 -26.19 34.29 1.40 64.31 11.02 5.25 19.09 58.67 4.50 0.12 0.73 0.61 77 R C H 130.41 7.32 16.54 24.93 93.44 70.62 -66.71 -28.37 53.57 3.38 43.05 21.03 5.67 26.29 39.62 4.17 0.07 1.98 1.17 78 A C T 78.50 2.79 16.12 19.38 95.60 56.89 -80.74 -11.28 65.08 3.50 31.42 21.16 11.60 31.73 27.52 4.79 0.07 1.94 1.18 79 N C C 64.69 10.77 11.46 23.06 112.56 84.07 -97.28 111.67 80.17 2.81 17.02 46.46 21.17 11.65 14.93 3.22 0.01 1.42 1.15 80 D C H 107.91 4.03 14.94 20.51 95.71 -150.09 -69.37 -5.99 59.08 1.55 39.38 16.87 13.85 27.81 29.59 10.29 0.07 0.91 0.62 81 A C H 49.33 8.82 15.00 24.97 96.21 79.40 -76.13 -16.54 51.04 5.52 43.44 17.42 10.13 22.86 32.84 11.06 0.22 4.31 1.17 82 V H H 35.99 17.35 13.31 30.12 104.14 71.36 -83.99 -1.49 34.21 24.82 40.97 17.88 7.99 9.99 31.05 8.89 0.49 21.00 2.72 83 I H E 73.94 11.90 15.79 27.87 105.47 67.71 -86.14 32.18 29.06 35.33 35.60 18.08 5.65 6.11 29.42 6.41 0.15 31.73 2.44 84 R E E 135.58 6.31 17.54 24.64 103.63 67.87 -89.53 -17.72 32.69 37.36 29.95 21.19 5.34 5.76 23.96 6.14 0.08 35.95 1.59 85 N C E 68.80 12.12 15.19 27.54 114.31 51.63 -103.10 123.74 38.13 37.30 24.58 23.38 7.25 7.48 17.74 6.51 0.10 36.22 1.32 86 L E E 69.52 11.85 16.63 28.96 117.51 -157.86 -105.48 128.30 34.24 49.16 16.60 25.01 4.40 4.05 12.48 3.94 0.02 48.95 1.16 87 V E E 63.40 12.77 16.09 29.30 120.07 -163.13 -111.00 129.16 24.64 67.25 8.11 20.43 1.97 1.20 7.78 1.26 0.00 65.88 1.48 88 M E E 77.48 10.60 16.47 28.00 122.41 -169.32 -116.18 136.24 21.39 72.71 5.91 18.34 1.64 0.86 5.98 0.93 0.00 70.31 1.94 89 R E E 121.69 8.24 15.73 25.14 115.00 -135.84 -93.53 129.13 31.59 61.60 6.81 26.85 2.59 1.35 6.13 1.43 0.00 59.50 2.15 90 R C C 105.98 11.17 11.88 23.62 107.59 -151.29 -86.19 104.95 64.47 12.89 22.63 45.17 10.97 7.96 14.93 7.74 0.02 11.90 1.30 91 D C C 112.09 2.64 14.91 18.37 99.96 58.25 -84.25 -7.24 66.55 4.81 28.64 37.15 16.92 13.06 17.11 11.23 0.03 3.38 1.13 92 E C C 117.20 4.82 14.23 20.26 107.00 61.96 -92.61 46.26 63.37 3.84 32.79 38.00 14.31 11.52 19.75 12.83 0.03 2.47 1.10 93 A C C 48.10 10.95 11.89 23.49 111.37 89.63 -82.43 128.37 67.65 4.32 28.03 50.34 9.02 8.29 19.36 8.83 0.01 2.97 1.19 94 V C C 68.89 10.47 11.74 23.06 110.90 -142.38 -92.68 116.79 72.81 6.37 20.82 57.77 8.33 6.18 16.42 5.06 0.01 4.39 1.85 95 T C C 85.26 5.59 12.60 19.64 111.36 134.63 -100.27 105.93 76.44 6.55 17.00 56.77 11.62 7.26 13.71 4.21 0.01 4.50 1.91 96 E C C 124.78 4.14 11.35 17.19 113.15 -145.12 -91.41 131.48 81.55 5.09 13.36 59.15 14.80 7.14 10.23 3.73 0.00 3.50 1.46 97 Q C C 124.04 4.37 9.95 16.29 110.74 -124.01 -84.40 124.28 84.32 3.71 11.97 62.54 10.20 11.28 8.24 3.95 0.00 2.50 1.29 98 S C C 70.07 5.23 8.47 15.44 115.12 -149.82 -93.98 140.63 94.16 1.01 4.83 84.06 2.80 8.08 2.64 1.40 0.00 0.56 0.46 99 E C C 151.28 1.91 12.58 15.30 101.52 -119.30 -74.72 23.21 99.92 0.04 0.04 99.72 0.13 0.11 0.01 0.01 0.00 0.02 0.00