# 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 114.29 5.85 14.46 21.58 118.63 -151.10 -104.79 128.65 98.77 1.22 0.01 98.89 0.15 0.04 0.00 0.00 0.00 0.85 0.07 1 V C C 66.64 10.43 10.30 21.71 123.27 -167.31 -115.16 136.33 68.49 31.20 0.30 67.43 0.81 0.81 0.13 0.14 0.00 26.43 4.27 2 N C C 113.87 2.59 15.25 18.80 113.67 -144.78 -97.73 119.96 68.21 31.45 0.34 55.32 9.66 2.05 0.10 0.32 0.00 27.62 4.93 3 Y C C 92.12 13.19 9.93 23.32 118.67 -161.39 -104.44 133.47 85.80 14.13 0.07 75.23 10.38 0.27 0.02 0.06 0.00 12.56 1.48 4 P C C 52.05 8.61 12.51 22.97 114.00 -108.98 -66.53 150.28 91.30 7.90 0.80 86.98 2.90 1.64 0.16 0.56 0.00 6.68 1.08 5 K C S 154.37 2.57 14.34 18.12 95.82 -131.44 -74.29 -24.92 91.10 7.13 1.77 18.54 62.78 10.05 0.19 1.60 0.00 5.88 0.97 6 K C S 123.42 3.65 15.71 20.43 126.03 26.94 -128.09 146.24 64.39 33.10 2.51 26.29 30.30 9.41 0.27 2.24 0.01 29.74 1.73 7 K C E 87.76 12.02 12.37 24.87 124.50 -167.79 -120.82 137.69 51.40 47.02 1.58 43.80 5.94 1.41 0.28 1.31 0.00 45.94 1.32 8 K E E 99.50 8.52 16.18 25.79 121.08 -144.71 -109.35 136.10 27.28 72.45 0.27 25.31 1.59 0.30 0.10 0.16 0.00 70.32 2.21 9 M E E 71.91 11.26 15.49 27.73 124.29 -163.37 -117.44 139.44 19.67 80.22 0.11 17.45 1.85 0.19 0.04 0.07 0.00 77.37 3.03 10 H E E 90.15 8.60 16.38 26.00 118.63 -144.04 -103.45 139.58 37.71 62.15 0.14 32.15 5.06 0.41 0.05 0.11 0.00 59.28 2.93 11 C C C 25.67 13.44 10.61 25.30 120.82 -158.71 -112.11 133.96 86.98 12.90 0.11 80.20 6.10 0.43 0.03 0.10 0.00 12.12 1.02 12 P C S 96.58 3.05 15.04 19.10 95.01 -139.39 -69.85 -22.83 95.39 3.14 1.47 39.94 47.67 8.06 0.47 0.96 0.00 2.06 0.83 13 D C S 74.30 3.33 13.14 17.54 129.14 59.10 -113.46 164.97 85.35 1.61 13.03 13.02 56.98 16.55 6.39 4.98 0.02 0.59 1.46 14 E C T 149.68 1.80 12.44 15.28 92.23 -98.99 -62.19 -32.37 53.91 0.43 45.66 3.48 11.08 39.03 11.43 34.41 0.04 0.21 0.33 15 R C T 155.23 2.45 13.58 16.91 93.02 57.43 -69.42 -28.73 51.15 0.87 47.97 4.06 7.79 37.42 14.06 35.55 0.11 0.49 0.53 16 C H G 32.04 13.71 9.08 22.94 96.15 51.46 -77.18 -12.01 44.57 3.21 52.22 10.97 8.60 25.16 14.27 37.64 0.11 2.03 1.22 17 N C T 102.41 4.39 14.49 20.36 94.30 85.58 -67.69 -18.34 67.52 4.57 27.91 15.19 10.59 41.88 11.07 16.41 0.20 2.91 1.76 18 A C T 70.84 3.01 17.10 20.31 106.07 62.80 -89.39 45.06 73.48 8.23 18.28 17.16 11.88 45.17 4.72 12.99 0.06 6.71 1.31 19 H C C 62.54 16.73 9.33 24.93 119.82 125.38 -89.53 141.85 69.92 28.10 1.97 56.70 11.08 1.62 1.02 1.12 0.00 26.51 1.96 20 K E E 122.85 3.59 19.16 23.64 121.02 -157.50 -115.65 136.23 23.90 75.11 0.99 22.11 1.47 0.33 0.84 0.33 0.00 71.33 3.58 21 S E E 57.69 10.93 14.60 26.10 116.32 -111.48 -70.82 143.74 15.70 83.39 0.91 13.89 1.36 0.35 0.68 0.34 0.00 81.30 2.08 22 F E E 58.83 13.78 13.40 27.85 124.92 -159.61 -117.06 145.26 35.25 62.97 1.78 29.84 3.92 0.75 1.16 0.64 0.00 62.98 0.70 23 K E E 133.60 3.53 19.44 23.81 117.94 -130.50 -97.76 135.47 28.61 69.70 1.70 25.57 2.01 0.49 1.16 0.57 0.00 68.99 1.21 24 V E E 44.59 16.91 10.37 26.84 116.54 -143.14 -96.67 131.41 20.99 76.27 2.73 19.31 1.14 0.37 2.19 0.70 0.00 74.75 1.53 25 V E E 82.39 4.70 17.60 23.11 113.35 -160.62 -102.66 137.35 22.28 75.11 2.60 16.87 4.76 0.87 1.82 0.84 0.00 74.20 0.63 26 Q E E 106.48 6.02 15.28 22.71 119.44 -113.09 -106.52 134.81 15.14 82.35 2.52 12.32 2.42 0.74 1.70 0.81 0.00 81.32 0.69 27 Y E E 88.96 12.28 10.66 23.47 122.52 -167.61 -116.54 139.53 21.08 76.53 2.39 19.08 1.44 0.51 1.93 0.71 0.00 74.77 1.56 28 K C E 119.84 4.08 14.49 19.67 115.74 -124.88 -85.85 140.08 52.68 43.35 3.97 39.31 9.97 3.79 2.04 2.01 0.01 41.02 1.85 29 A C T 74.10 5.63 11.01 18.25 110.75 -103.25 -67.90 138.48 73.86 14.04 12.09 21.33 21.68 32.21 4.45 6.88 0.08 11.36 2.00 30 G C T 54.99 2.52 13.39 16.71 107.50 28.15 90.30 -13.31 79.17 5.78 15.05 22.63 25.26 32.80 5.33 8.58 0.04 3.81 1.56 31 K C C 136.18 3.71 12.62 17.56 107.19 54.61 -90.35 55.35 68.63 8.31 23.06 41.34 18.06 9.74 14.07 8.94 0.06 5.22 2.58 32 A C C 55.84 8.96 10.49 20.36 112.56 106.44 -84.55 134.69 63.37 9.20 27.44 44.24 11.10 7.60 19.09 8.98 0.03 6.76 2.19 33 R C C 131.98 5.77 13.67 20.79 117.39 -153.70 -98.92 136.74 53.47 14.28 32.26 38.84 7.62 6.82 21.26 11.35 0.05 11.37 2.68 34 L C H 95.06 8.25 12.88 21.86 104.29 -137.01 -74.97 -4.30 42.63 16.80 40.57 21.42 9.86 12.92 25.39 14.39 0.33 13.11 2.57 35 Y C H 129.76 6.85 13.47 21.30 105.82 51.86 -97.51 37.51 43.77 18.78 37.45 20.74 10.46 14.22 23.99 12.90 0.46 14.20 3.03 36 A C C 54.75 8.34 11.55 21.10 112.62 134.40 -87.73 128.30 56.92 14.13 28.95 34.12 11.47 11.44 20.17 9.27 0.14 10.76 2.62 37 R C C 149.07 4.62 12.94 18.99 111.16 -147.87 -97.43 118.92 64.85 12.78 22.37 34.40 13.83 16.49 17.25 5.77 0.14 9.27 2.85 38 G C C 38.82 7.12 11.60 19.96 121.12 -148.94 -135.65 173.83 71.05 9.81 19.14 36.15 18.49 16.54 13.80 5.81 0.10 6.81 2.31 39 K C C 141.12 3.66 12.94 17.97 114.05 -100.01 -93.82 130.29 59.06 11.45 29.49 36.56 12.76 9.43 22.45 7.68 0.10 8.52 2.49 40 R C C 134.22 6.43 11.02 18.98 116.08 -147.18 -95.19 134.20 48.86 16.24 34.90 30.96 9.83 8.30 25.80 9.14 0.16 13.10 2.71 41 R C C 138.45 5.34 12.55 19.46 114.43 -150.05 -95.49 131.94 43.75 20.14 36.11 30.01 7.12 6.79 26.93 9.39 0.12 16.68 2.96 42 Y C H 111.22 8.55 10.40 20.14 117.15 -156.01 -101.47 133.89 44.11 17.93 37.96 28.57 8.42 7.71 29.51 8.37 0.15 14.38 2.89 43 D C C 83.57 5.25 12.11 18.89 112.01 -154.41 -97.00 120.03 53.68 11.73 34.59 35.05 9.69 8.84 27.76 7.14 0.06 9.59 1.87 44 R C C 148.16 5.18 11.07 17.76 101.72 -154.58 -82.93 5.89 52.71 10.02 37.27 31.17 11.44 10.66 27.83 9.13 0.11 7.69 1.97 45 K C C 143.06 2.53 11.68 15.43 104.49 94.34 -83.96 52.02 54.41 12.47 33.13 33.43 10.02 11.19 24.29 8.87 0.12 9.17 2.92 46 Q C C 111.42 5.11 9.70 16.36 108.34 103.85 -89.19 91.04 61.20 14.04 24.76 39.43 11.18 10.43 18.04 6.91 0.14 8.86 5.02 47 S C C 74.52 4.26 10.62 16.30 111.71 128.97 -95.67 122.91 76.35 8.65 15.00 42.01 15.77 18.94 9.72 5.18 0.04 5.24 3.11 48 G C C 48.57 3.56 10.88 15.96 116.19 21.69 112.04 -6.92 84.02 5.02 10.96 30.95 24.93 29.22 4.00 6.22 0.02 2.74 1.91 49 Y C T 160.66 3.54 9.76 14.77 107.86 -43.52 -91.93 87.92 78.62 7.24 14.14 24.01 22.79 32.98 3.80 9.27 0.06 3.78 3.30 50 G C T 57.72 2.09 11.38 14.51 105.77 -2.53 76.38 8.49 84.78 3.95 11.27 19.29 22.61 43.19 2.37 8.56 0.02 2.34 1.62 51 G C C 51.33 3.75 10.58 15.89 109.85 -39.40 82.27 24.70 85.87 6.07 8.06 33.00 27.06 26.43 1.34 6.66 0.01 3.52 1.98 52 Q C C 113.22 4.65 10.34 16.64 114.81 -120.64 -90.15 134.60 82.44 13.64 3.92 56.07 19.89 6.02 1.30 2.84 0.01 7.85 6.03 53 T C C 96.37 4.06 11.03 16.63 109.91 -156.27 -91.06 90.15 81.66 16.32 2.03 57.56 20.21 3.47 0.84 1.38 0.00 10.61 5.94 54 K C C 125.87 4.49 11.34 17.44 118.93 -127.92 -101.06 134.57 85.65 13.72 0.63 65.49 19.44 0.98 0.36 0.35 0.00 10.91 2.47 55 P C C 85.03 5.81 11.17 18.62 113.23 -110.44 -68.32 145.13 79.04 18.90 2.05 71.39 5.02 2.06 1.15 0.98 0.00 14.17 5.22 56 I C C 102.53 6.33 10.40 18.31 114.85 -140.39 -95.22 131.79 74.80 20.11 5.09 53.78 16.41 4.23 3.44 2.08 0.02 14.49 5.55 57 F C C 128.31 5.49 10.28 17.33 117.52 -150.20 -102.95 132.04 67.82 25.04 7.14 49.79 13.58 3.97 4.99 2.71 0.03 18.32 6.60 58 H C C 126.26 4.70 10.34 16.86 116.94 -159.34 -102.74 130.81 72.70 17.38 9.92 59.24 8.60 4.32 6.73 3.66 0.01 13.93 3.52 59 K C C 135.16 4.08 10.56 16.43 114.72 -145.91 -90.44 136.57 69.39 10.92 19.68 43.94 15.06 10.43 12.64 7.24 0.04 7.83 2.81 60 K C C 140.00 3.71 11.63 17.06 113.01 -129.02 -89.06 133.81 67.39 8.83 23.78 40.55 15.61 11.70 14.11 9.52 0.06 5.68 2.77 61 A C C 63.08 7.21 9.79 18.37 114.02 -125.08 -82.56 140.98 67.61 6.95 25.45 44.65 13.22 10.03 14.29 11.10 0.04 4.32 2.35 62 K C C 133.88 4.28 12.68 18.39 109.56 -136.10 -90.48 118.86 70.23 7.91 21.85 46.73 12.82 10.82 11.96 9.83 0.04 4.98 2.81 63 T C C 81.86 6.72 12.21 20.15 111.96 -151.60 -96.49 113.96 73.78 9.13 17.10 41.27 18.34 14.89 9.05 7.58 0.08 5.54 3.26 64 T C C 76.35 7.06 13.43 21.63 111.69 82.17 -99.47 112.98 78.75 11.56 9.69 45.15 20.53 13.85 4.58 4.81 0.04 7.80 3.23 65 K C C 103.13 8.48 15.34 24.67 115.91 -138.50 -96.68 132.71 82.40 16.05 1.54 52.09 26.65 4.22 0.41 1.10 0.00 13.88 1.65 66 K C C 86.06 10.95 17.00 28.35 122.18 -156.91 -104.31 141.27 57.01 42.72 0.27 47.58 7.33 0.77 0.05 0.22 0.00 43.09 0.96 67 I E E 30.71 16.10 16.64 33.54 119.98 -147.33 -108.23 132.41 10.08 89.91 0.01 9.63 0.41 0.02 0.00 0.01 0.00 89.57 0.35 68 V E E 34.92 11.95 21.08 34.25 119.57 -158.10 -111.52 129.48 1.95 98.05 0.00 1.78 0.06 0.00 0.00 0.00 0.00 98.12 0.03 69 L E E 17.59 19.38 17.91 37.89 120.21 -161.09 -109.54 132.07 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.00 70 K E E 65.62 10.63 23.13 34.32 119.01 -159.12 -109.10 127.79 0.23 99.77 0.00 0.19 0.01 0.00 0.00 0.00 0.00 99.79 0.00 71 L E E 14.40 20.50 16.80 37.53 124.78 -168.59 -117.32 138.75 0.31 99.69 0.00 0.26 0.02 0.00 0.00 0.00 0.00 99.72 0.00 72 Q E E 69.63 7.41 21.76 30.08 117.43 -145.16 -106.68 128.49 1.22 98.78 0.00 1.13 0.06 0.00 0.00 0.00 0.00 98.74 0.06 73 C E E 12.40 17.32 10.90 29.46 109.34 -132.67 -83.44 120.17 27.03 72.95 0.03 25.30 1.08 0.09 0.00 0.02 0.00 72.92 0.58 74 S C T 70.17 3.97 16.05 21.33 94.35 -158.17 -71.72 -27.70 98.89 0.55 0.57 1.03 11.37 86.48 0.02 0.60 0.00 0.40 0.10 75 N C T 113.50 2.18 14.62 17.23 98.00 46.87 -78.75 -39.60 99.06 0.16 0.78 0.35 6.77 92.01 0.03 0.71 0.00 0.08 0.06 76 C C T 67.43 4.85 12.26 18.62 101.16 20.88 -106.38 -7.97 99.15 0.27 0.58 1.72 9.01 88.38 0.03 0.61 0.00 0.17 0.07 77 K C C 150.14 3.07 13.38 18.19 94.53 -126.47 63.48 26.32 97.13 2.44 0.43 59.01 8.49 29.56 0.07 0.38 0.00 2.04 0.44 78 S C C 50.79 5.06 13.88 20.74 123.81 134.60 -97.87 156.11 69.96 29.96 0.07 67.22 1.75 0.22 0.01 0.05 0.00 30.23 0.52 79 I E E 88.76 10.57 13.46 24.99 122.03 -131.41 -110.04 136.30 4.26 95.70 0.04 4.30 0.13 0.02 0.02 0.02 0.00 95.14 0.37 80 I E E 62.31 10.04 16.23 27.67 128.51 -173.21 -128.39 144.31 1.21 98.74 0.05 1.21 0.06 0.02 0.02 0.02 0.00 98.57 0.09 81 Q E E 92.02 11.34 15.49 27.42 122.66 -145.19 -111.31 136.34 4.38 95.42 0.20 3.86 0.38 0.12 0.07 0.11 0.00 95.33 0.14 82 N E E 49.65 11.74 16.67 29.39 126.16 -174.78 -125.61 143.28 21.42 78.23 0.35 19.26 1.22 0.19 0.13 0.17 0.00 78.80 0.23 83 V E E 78.73 8.12 19.30 28.11 116.23 -126.24 -92.00 134.01 29.75 69.50 0.75 27.14 1.76 0.35 0.43 0.35 0.00 68.79 1.19 84 L C C 26.60 19.93 12.14 31.84 120.80 -158.22 -108.34 139.73 55.47 41.79 2.74 50.57 3.32 0.93 1.52 1.24 0.00 40.40 2.03 85 K C C 120.96 4.29 21.25 25.93 116.81 -132.56 -87.28 146.89 61.04 34.92 4.04 41.15 17.51 3.69 1.65 2.31 0.02 31.99 1.68 86 R C C 117.38 10.07 16.84 27.20 113.70 -98.50 -74.95 136.72 56.33 38.25 5.41 37.73 15.86 4.54 2.47 3.06 0.05 32.10 4.19 87 T C C 32.11 15.88 12.39 28.50 127.64 -164.51 -121.03 148.66 52.41 42.70 4.88 46.01 4.16 1.64 2.39 2.61 0.01 37.43 5.75 88 K C S 128.13 4.56 17.97 23.51 98.92 -158.10 -85.27 -26.63 64.76 30.09 5.16 19.22 36.12 10.80 1.75 2.97 0.08 27.47 1.60 89 H C E 101.63 5.78 19.30 25.89 133.19 8.27 -141.51 143.87 49.19 46.44 4.36 24.95 19.16 7.60 1.40 2.61 0.02 42.99 1.28 90 F E E 52.19 17.72 12.34 29.72 126.11 -168.51 -126.12 136.20 43.20 51.71 5.09 38.18 3.49 1.37 2.77 2.35 0.01 48.58 3.24 91 E E E 91.44 6.17 18.69 25.80 116.39 -155.77 -108.00 125.60 45.27 51.11 3.61 40.65 2.78 1.32 2.35 1.47 0.01 47.40 4.02 92 L C C 63.82 13.08 12.14 25.50 113.58 -158.91 -94.68 124.60 58.59 34.12 7.29 36.95 11.71 11.34 2.78 4.42 0.04 29.78 2.99 93 N C T 101.97 5.07 14.58 20.47 102.22 6.29 52.50 -0.93 79.15 11.06 9.80 25.60 23.41 31.26 3.11 6.03 0.04 8.71 1.84 94 D C T 99.68 4.22 12.04 17.48 104.26 0.10 -89.29 36.98 78.41 6.18 15.41 24.76 26.54 28.52 5.74 8.60 0.06 4.01 1.76 95 K C C 124.57 5.27 10.88 17.80 109.80 121.66 -89.29 113.58 66.38 13.22 20.40 36.25 16.40 14.70 9.56 10.42 0.08 9.30 3.29 96 K C C 128.99 4.47 11.80 17.97 113.42 96.44 -90.26 130.04 62.37 16.29 21.33 37.97 13.20 11.89 11.10 10.06 0.09 11.73 3.95 97 K C C 122.67 6.36 10.77 18.58 110.77 -131.34 -86.76 121.21 66.72 13.59 19.69 40.30 14.42 12.54 10.34 9.24 0.07 9.69 3.40 98 T C C 87.20 5.11 11.48 18.06 111.63 -163.48 -98.70 114.80 74.39 9.72 15.90 41.61 17.71 15.73 8.25 7.37 0.05 6.08 3.20 99 G C C 47.80 4.48 11.92 17.80 113.79 -85.95 85.95 -163.14 84.34 5.40 10.26 35.94 21.12 28.25 3.01 6.71 0.01 3.27 1.70 100 N C C 107.60 4.69 10.96 17.26 109.81 -44.02 -86.81 118.19 87.85 4.67 7.49 37.53 24.03 26.85 1.44 5.97 0.00 2.77 1.40 101 K C C 132.52 4.51 11.34 17.40 112.62 -150.01 -93.37 130.77 85.11 8.55 6.34 48.44 24.12 12.68 1.36 5.27 0.01 5.07 3.06 102 D C C 97.81 4.50 11.77 17.95 113.83 -123.86 -87.62 130.70 89.64 8.45 1.91 61.51 24.40 3.86 0.47 1.58 0.00 6.10 2.09 103 P C C 73.30 9.34 9.06 19.27 109.46 -123.92 -74.28 136.69 86.16 10.44 3.40 64.28 10.63 10.90 0.74 2.80 0.00 8.61 2.04 104 T C C 99.46 3.02 11.51 16.07 113.53 -158.79 -97.15 130.77 81.25 16.34 2.42 69.98 3.53 7.46 0.80 1.38 0.00 12.22 4.62 105 W C C 145.74 7.76 11.65 20.35 108.71 -110.66 -89.50 103.62 98.87 1.11 0.02 98.87 0.19 0.07 0.01 0.00 0.00 0.79 0.08