# 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 110.38 6.80 13.16 21.26 117.31 -154.85 -101.49 134.64 99.61 0.36 0.03 99.56 0.14 0.06 0.01 0.00 0.00 0.19 0.05 1 C C C 85.24 5.38 10.01 16.99 116.21 -161.05 -100.34 135.22 87.50 7.92 4.58 79.96 1.75 6.01 2.68 1.39 0.00 5.76 2.45 2 G C C 51.81 3.64 10.47 15.45 114.51 -134.58 -117.40 155.02 80.45 11.25 8.30 49.74 17.11 14.07 4.72 3.46 0.02 8.27 2.61 3 L C C 119.76 3.45 9.20 14.36 112.57 -120.55 -91.00 126.83 72.44 13.28 14.28 51.26 13.02 7.63 10.31 4.58 0.04 10.35 2.82 4 K C C 147.24 2.49 10.52 14.61 114.06 -150.82 -96.13 128.24 63.61 14.76 21.63 46.57 10.06 6.28 17.33 5.19 0.06 11.87 2.65 5 L C C 101.12 6.72 8.91 17.04 113.69 -140.20 -90.64 129.28 59.63 13.11 27.26 44.05 8.23 6.87 21.13 6.70 0.04 10.61 2.35 6 H C C 122.36 4.46 11.33 17.37 114.48 -157.00 -97.05 133.81 58.58 10.37 31.05 43.54 7.89 6.98 23.42 7.89 0.02 8.09 2.16 7 A C C 68.42 5.49 10.97 17.87 109.57 -137.26 -83.02 122.60 50.94 7.89 41.17 31.24 9.80 10.38 27.53 13.45 0.07 5.73 1.80 8 H C C 121.89 5.39 11.03 17.74 109.04 62.20 -89.82 96.13 52.30 6.69 41.01 27.07 11.43 14.64 26.17 14.25 0.12 4.46 1.85 9 N C C 98.23 5.09 11.18 17.74 108.63 92.67 -90.52 95.65 60.19 5.52 34.29 32.68 12.14 15.69 21.93 12.24 0.07 3.36 1.90 10 K C C 132.01 4.58 10.37 16.55 106.24 156.57 -83.12 51.01 70.98 4.27 24.76 38.53 19.34 13.44 18.18 6.49 0.05 2.15 1.82 11 K C C 146.10 2.67 11.23 15.34 105.32 63.84 -83.09 69.00 74.01 2.70 23.28 30.65 14.88 28.99 15.56 7.24 0.04 1.37 1.28 12 G C T 51.61 3.55 11.93 16.83 105.14 6.64 76.97 -3.24 76.87 1.43 21.69 25.22 18.06 34.16 13.55 7.51 0.03 0.66 0.80 13 G C C 44.41 5.73 11.54 18.63 108.30 -22.55 66.08 -8.02 68.82 2.11 29.07 32.99 17.35 19.14 19.28 9.17 0.03 0.97 1.08 14 A C C 65.82 5.69 11.59 18.78 109.69 54.21 -86.50 126.16 53.17 4.28 42.55 31.38 11.94 10.80 31.32 10.57 0.06 2.47 1.46 15 Q H H 117.76 4.04 13.38 18.75 108.65 -133.26 -84.94 94.17 43.84 7.85 48.31 26.75 9.05 9.74 36.66 10.24 0.12 5.43 2.01 16 M H H 103.48 7.14 12.80 21.01 106.06 -135.05 -85.96 63.27 43.01 5.83 51.16 26.55 8.74 9.42 40.36 9.34 0.08 3.98 1.53 17 A H H 55.86 8.61 12.83 22.38 104.75 62.79 -81.03 43.97 45.91 4.43 49.67 29.24 8.45 9.49 40.33 8.26 0.04 2.92 1.27 18 R H H 135.55 5.99 14.62 21.66 105.42 61.44 -83.94 54.04 42.47 4.30 53.24 25.02 8.95 10.30 41.83 9.77 0.08 2.81 1.23 19 S H H 54.39 7.96 13.84 22.77 109.80 65.85 -87.07 130.30 41.64 4.84 53.52 26.22 7.24 9.28 40.48 12.11 0.05 3.32 1.30 20 I H H 91.80 9.70 12.37 22.52 101.51 -120.89 -80.21 -10.17 37.48 5.31 57.21 17.54 7.92 13.41 38.02 17.89 0.22 3.53 1.48 21 K H H 132.43 4.66 14.44 20.42 104.37 72.52 -84.27 16.34 45.66 5.87 48.47 17.71 9.50 19.43 32.38 14.97 0.33 3.87 1.81 22 K C H 133.63 4.51 14.76 20.52 107.33 48.69 -91.21 58.36 59.21 5.39 35.39 20.73 17.88 22.50 23.00 10.41 0.33 2.74 2.41 23 G C C 27.94 10.13 13.49 24.39 130.25 -114.19 132.54 176.51 93.74 3.59 2.67 51.28 33.99 8.74 0.71 1.91 0.00 1.96 1.41 24 P C C 77.12 7.97 16.30 24.94 104.04 -52.75 -71.64 73.65 92.31 4.58 3.11 36.16 32.93 23.71 0.58 2.53 0.00 3.07 1.03 25 F C C 87.59 11.79 16.21 28.22 113.26 63.11 -96.82 120.40 67.04 28.92 4.04 38.44 15.70 14.00 1.49 2.78 0.05 19.18 8.35 26 V C C 48.10 15.01 14.69 29.82 118.29 -158.16 -105.39 131.72 72.63 25.62 1.75 62.78 7.40 1.05 1.34 0.62 0.00 16.80 10.01 27 D C C 51.13 11.11 15.58 27.73 109.75 -133.73 -88.35 116.29 95.17 3.16 1.68 93.36 1.88 0.48 1.35 0.21 0.00 1.94 0.77 28 E H H 120.01 4.82 16.44 22.78 93.82 -157.29 -65.87 -31.88 8.34 0.05 91.61 2.17 1.03 5.03 89.73 1.98 0.01 0.03 0.02 29 H H H 105.70 3.29 18.72 22.07 92.05 57.02 -64.97 -39.72 4.60 0.03 95.37 0.85 0.43 3.19 93.17 2.33 0.01 0.02 0.01 30 L H H 21.65 15.50 15.16 31.54 92.27 50.39 -65.47 -41.92 1.55 0.03 98.42 0.42 0.17 0.91 96.29 2.19 0.00 0.02 0.00 31 M H H 43.85 13.93 16.15 30.62 91.91 51.54 -63.45 -41.94 0.84 0.02 99.14 0.25 0.10 0.45 98.53 0.66 0.00 0.02 0.00 32 K H H 118.66 2.12 21.62 22.51 91.85 50.92 -64.36 -41.60 0.78 0.03 99.19 0.20 0.09 0.45 98.94 0.30 0.00 0.02 0.00 33 K H H 94.52 5.37 19.92 25.70 92.18 49.78 -65.30 -41.39 0.85 0.04 99.11 0.22 0.09 0.51 98.86 0.29 0.00 0.02 0.00 34 V H H 16.34 16.87 14.27 31.87 92.23 50.17 -64.93 -42.43 0.89 0.03 99.08 0.23 0.09 0.53 98.85 0.29 0.00 0.02 0.00 35 E H H 90.03 6.57 17.52 25.11 91.91 51.20 -64.22 -40.01 1.62 0.02 98.36 0.36 0.14 1.02 98.08 0.39 0.00 0.01 0.00 36 A H H 68.88 1.94 17.48 18.78 92.71 51.74 -66.37 -38.04 5.03 0.03 94.93 0.64 0.37 3.83 94.47 0.66 0.01 0.01 0.01 37 Q H H 81.55 7.92 13.42 22.48 94.68 51.36 -72.39 -29.84 11.92 0.10 87.98 1.28 1.10 9.29 87.34 0.87 0.04 0.04 0.05 38 E H H 97.44 8.45 11.82 21.09 98.82 57.79 -80.56 -8.36 42.75 0.66 56.59 7.21 6.27 29.04 55.33 1.45 0.08 0.23 0.39 39 G C T 55.76 2.28 13.25 16.31 100.99 -88.54 60.40 0.29 79.24 0.90 19.86 25.53 10.06 43.45 17.16 2.92 0.00 0.38 0.49 40 S C C 68.87 4.25 9.69 15.54 112.47 97.56 -93.14 141.55 82.07 1.41 16.52 33.84 21.59 27.65 8.24 7.18 0.01 0.58 0.91 41 E C T 154.16 1.65 11.43 13.96 99.54 -123.58 -79.45 0.19 86.04 1.00 12.96 28.19 27.47 31.00 3.94 8.34 0.00 0.45 0.60 42 K C C 128.69 3.76 11.69 17.07 113.20 103.55 -90.33 130.31 87.65 1.75 10.60 42.52 25.86 19.36 2.46 8.07 0.00 0.88 0.84 43 K C C 116.11 8.27 11.94 21.39 114.12 -138.38 -87.23 128.65 88.79 4.47 6.75 66.17 14.06 8.43 1.59 5.40 0.00 3.35 0.99 44 Q C C 89.71 8.08 16.29 25.39 120.06 -164.28 -106.05 139.64 77.64 19.09 3.27 56.93 16.41 3.99 0.89 2.25 0.00 17.94 1.59 45 V E E 62.69 11.75 16.54 28.98 116.76 -136.29 -96.72 131.41 48.77 50.48 0.75 42.83 4.82 0.75 0.26 0.42 0.00 49.39 1.52 46 I E E 34.49 17.92 15.59 33.70 117.88 -156.82 -103.35 129.91 21.29 78.47 0.24 19.75 1.37 0.21 0.14 0.11 0.00 76.92 1.49 47 K E E 101.73 9.00 22.30 31.72 118.08 -144.43 -100.13 133.04 16.65 83.18 0.17 15.30 1.12 0.19 0.07 0.08 0.00 82.28 0.95 48 T E E 28.36 19.45 16.10 34.92 126.78 -172.88 -120.26 143.59 34.11 65.63 0.26 30.76 2.39 0.36 0.09 0.16 0.00 64.78 1.47 49 W C C 98.38 11.06 20.88 32.26 110.23 -165.53 -107.16 56.14 59.84 39.60 0.56 41.47 17.29 1.86 0.16 0.46 0.00 36.51 2.25 50 S C C 29.10 14.23 17.97 32.39 124.85 60.40 -114.44 146.02 79.94 18.72 1.33 61.47 14.67 3.56 0.25 1.26 0.00 16.89 1.90 51 R C T 114.20 11.15 18.27 29.51 98.06 -154.38 -81.21 -19.81 84.07 9.85 6.07 14.12 33.26 37.54 0.48 5.55 0.01 7.74 1.30 52 R C T 139.75 5.41 21.58 27.39 101.13 49.97 -90.04 34.94 82.57 11.55 5.87 17.25 30.56 35.45 0.37 5.61 0.01 9.67 1.08 53 S C C 17.79 19.76 14.17 33.70 124.88 123.26 -101.03 150.94 71.15 24.58 4.27 58.20 10.06 2.19 0.43 3.88 0.00 24.23 1.00 54 T E E 57.25 9.12 24.78 34.51 121.24 -143.06 -111.13 134.67 18.51 81.29 0.20 16.29 1.78 0.23 0.10 0.14 0.00 76.32 5.14 55 I E E 21.18 22.52 16.37 39.01 117.65 -152.17 -102.83 127.77 17.76 82.20 0.04 16.68 0.70 0.03 0.02 0.02 0.00 71.58 10.96 56 F C C 54.61 11.47 19.85 32.34 112.65 -134.41 -83.21 129.85 98.39 1.60 0.01 98.39 0.36 0.01 0.00 0.00 0.00 1.14 0.08 57 P H G 65.21 10.89 16.68 28.54 91.53 -127.32 -59.12 -30.62 13.90 0.17 85.93 1.00 1.06 9.96 0.87 86.97 0.00 0.14 0.01 58 N H G 101.18 4.70 21.00 26.73 89.51 64.96 -67.90 -16.05 13.17 0.10 86.73 0.29 0.64 11.13 0.69 87.17 0.00 0.07 0.01 59 F H G 13.76 21.85 14.43 36.99 94.56 56.95 -94.07 -7.31 12.62 0.17 87.21 1.16 1.14 8.25 0.79 88.53 0.00 0.11 0.02 60 I C T 56.73 15.24 15.71 31.43 112.90 116.20 -61.77 132.50 97.84 1.01 1.16 0.54 1.23 96.75 0.15 0.48 0.00 0.34 0.51 61 G C T 43.21 4.44 21.96 27.30 94.18 22.48 85.47 -4.29 99.61 0.20 0.19 0.24 1.65 97.85 0.01 0.11 0.00 0.13 0.01 62 H C C 46.19 15.79 17.10 33.14 123.17 123.89 -85.81 151.38 95.06 4.91 0.03 88.19 6.52 0.14 0.00 0.03 0.00 4.95 0.16 63 T E E 42.80 11.67 24.20 36.40 119.48 -132.85 -106.88 132.86 2.07 97.93 0.00 2.12 0.06 0.00 0.00 0.00 0.00 97.57 0.25 64 F E E 6.32 24.70 18.81 43.88 128.09 -171.99 -124.76 143.88 0.14 99.86 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 65 A E E 15.19 14.29 25.66 40.67 118.94 -141.07 -102.99 133.51 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 66 V E E 6.21 22.66 19.94 42.95 121.38 -164.17 -116.15 131.66 0.29 99.70 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.01 67 Y E E 42.52 13.55 19.64 34.32 116.37 -155.10 -106.28 123.39 5.21 94.76 0.03 4.22 0.58 0.09 0.00 0.02 0.00 94.94 0.14 68 D E E 53.81 10.23 17.52 29.03 103.24 176.45 -110.13 35.24 38.65 60.56 0.79 23.17 9.95 6.08 0.08 0.81 0.00 59.25 0.65 69 G C T 40.77 7.37 15.51 23.63 98.76 -78.34 77.79 -11.91 98.81 0.44 0.75 1.63 29.67 67.43 0.02 0.86 0.00 0.29 0.08 70 R C T 171.74 1.85 16.03 18.11 103.32 40.86 -99.98 -22.09 98.78 0.64 0.58 1.85 36.70 60.27 0.02 0.62 0.00 0.43 0.10 71 K E E 131.26 2.27 17.85 20.31 126.87 35.60 -124.91 147.97 27.36 72.56 0.08 19.25 7.92 0.56 0.01 0.07 0.00 71.54 0.65 72 H E E 82.03 15.92 11.96 27.22 118.86 -129.70 -97.48 133.86 7.18 92.82 0.01 6.59 0.28 0.01 0.00 0.00 0.00 92.93 0.18 73 V E E 44.50 10.38 19.00 30.87 120.55 -168.40 -122.49 126.36 1.81 98.19 0.00 1.62 0.05 0.00 0.00 0.00 0.00 98.31 0.02 74 P E E 68.91 9.55 20.86 30.79 114.95 -120.70 -69.49 140.58 1.38 98.62 0.00 1.30 0.02 0.00 0.00 0.00 0.00 98.68 0.01 75 V E E 12.62 21.79 15.92 37.67 128.44 -173.97 -128.23 141.86 0.76 99.24 0.00 0.75 0.01 0.00 0.00 0.00 0.00 99.23 0.02 76 Y E E 99.86 7.99 25.96 34.49 117.80 -136.07 -100.94 132.64 1.36 98.64 0.00 1.34 0.03 0.00 0.00 0.00 0.00 98.54 0.09 77 V E E 6.34 25.04 13.31 39.14 114.13 -139.74 -93.16 126.29 23.97 76.01 0.02 24.04 0.31 0.01 0.01 0.01 0.00 74.99 0.63 78 T C C 45.81 6.42 22.84 29.56 133.54 170.96 -126.12 170.32 93.36 6.51 0.13 90.95 2.77 0.14 0.04 0.07 0.00 5.53 0.50 79 E H G 119.36 8.19 15.43 24.88 90.99 -98.90 -60.06 -31.95 21.50 0.19 78.31 0.77 2.29 16.75 1.54 78.49 0.00 0.13 0.03 80 D H G 114.34 1.66 19.87 21.14 90.51 61.67 -70.80 -17.88 21.51 0.13 78.37 0.49 1.26 17.93 1.42 78.79 0.00 0.09 0.02 81 M H G 20.23 19.39 12.92 32.70 95.36 51.54 -97.01 -6.04 21.66 0.46 77.88 2.47 2.41 14.94 1.83 77.95 0.00 0.31 0.09 82 V C T 51.70 15.92 14.02 30.09 112.25 115.41 -63.23 133.55 95.05 2.67 2.28 3.06 3.37 89.24 0.71 1.07 0.00 1.24 1.29 83 G C T 45.09 4.93 21.12 27.11 94.08 21.10 84.52 -4.52 98.20 0.53 1.27 1.77 4.47 92.12 0.22 0.93 0.00 0.37 0.12 84 H C C 66.31 12.67 17.42 30.54 123.77 121.24 -90.56 154.01 94.63 3.44 1.93 77.16 15.87 1.56 0.96 0.92 0.00 1.63 1.90 85 K C B 88.74 9.58 22.68 32.47 115.86 -110.01 -81.96 142.79 49.95 43.36 6.69 36.22 6.76 3.30 3.68 2.74 0.02 8.33 38.94 86 L H G 24.17 22.32 15.57 37.26 103.84 -106.38 -65.42 129.37 33.11 3.50 63.39 10.43 7.36 16.63 7.82 54.19 0.13 2.12 1.31 87 G H G 26.41 13.73 19.59 32.56 95.69 47.18 62.56 -9.44 25.56 1.61 72.83 6.46 4.37 14.85 8.35 64.36 0.04 1.00 0.57 88 E H G 100.81 7.47 20.65 28.72 93.68 88.45 -75.86 -18.86 26.39 1.90 71.70 6.67 5.71 14.37 8.17 63.12 0.08 1.21 0.66 89 F C G 76.92 13.63 16.67 30.23 99.80 46.78 -99.25 -3.38 50.77 6.11 43.13 16.29 15.25 21.14 8.34 32.58 0.22 3.20 3.00 90 A C S 28.82 16.54 13.56 29.86 120.82 87.89 -100.42 139.83 93.03 5.16 1.81 45.21 46.46 1.80 0.97 0.79 0.00 2.53 2.24 91 P C C 71.03 7.78 16.25 25.01 111.06 -107.25 -67.56 147.69 89.82 5.46 4.72 72.34 11.41 5.84 1.80 2.93 0.00 3.21 2.47 92 T C C 79.55 9.00 12.90 22.75 110.78 -132.61 -91.34 108.89 84.50 8.96 6.55 62.55 14.02 7.21 2.68 3.96 0.00 4.98 4.59 93 R C C 139.83 6.16 13.08 20.64 115.37 -155.80 -100.26 129.72 80.12 11.23 8.65 53.10 20.01 6.77 4.64 4.18 0.01 6.99 4.30 94 T C C 90.47 4.59 12.96 19.12 115.45 -154.91 -99.74 127.74 79.24 12.11 8.65 57.48 14.78 6.44 4.78 4.11 0.01 8.60 3.81 95 F C C 110.66 8.80 9.50 19.30 114.19 -153.33 -96.14 128.03 77.12 11.90 10.98 59.03 11.24 5.97 7.25 3.98 0.01 7.63 4.89 96 K C C 149.09 2.47 12.54 16.29 110.47 -159.61 -91.86 119.44 75.85 6.81 17.34 39.93 15.87 20.81 10.66 6.24 0.02 4.18 2.28 97 G C C 46.20 4.03 12.89 18.18 112.30 16.89 100.03 -160.04 74.19 4.06 21.74 29.22 21.51 24.65 12.72 8.03 0.05 2.22 1.60 98 H C C 104.54 6.93 10.86 19.06 111.28 -47.41 -92.19 122.10 66.69 5.08 28.22 40.86 14.45 11.63 19.08 8.90 0.03 2.64 2.41 99 V C C 81.66 5.70 12.29 19.26 104.90 -139.13 -82.13 -12.88 59.44 3.37 37.18 34.99 12.52 12.57 26.55 10.09 0.03 1.76 1.50 100 A C H 64.36 4.90 12.18 18.45 98.45 54.77 -70.21 -28.94 54.80 2.01 43.19 29.50 13.25 13.14 30.72 11.43 0.04 0.99 0.94 101 D C H 90.40 4.22 11.99 17.51 98.94 59.17 -81.66 -4.08 53.48 1.69 44.84 30.64 11.57 12.22 32.74 11.19 0.03 0.83 0.78 102 D C C 84.59 5.51 10.46 17.51 101.42 83.28 -81.37 5.52 54.75 1.66 43.60 33.11 10.20 12.20 33.08 9.77 0.02 0.84 0.77 103 K C H 129.02 3.99 10.55 16.07 102.02 85.21 -81.22 4.79 55.07 2.27 42.65 32.71 10.63 12.60 33.22 8.62 0.03 1.18 0.99 104 K C C 138.67 2.86 9.86 14.25 105.28 87.65 -84.18 45.05 59.68 3.20 37.11 34.17 12.78 13.49 28.73 7.78 0.04 1.71 1.30 105 T C C 91.28 3.69 8.29 13.64 107.49 104.42 -88.94 82.48 68.34 4.49 27.18 40.67 13.86 13.80 20.55 6.78 0.03 2.52 1.80 106 R C C 166.80 2.44 8.10 12.30 108.27 90.09 -87.75 102.96 81.61 3.55 14.83 68.88 2.79 10.21 11.02 3.32 0.00 2.01 1.77 107 R C C 167.65 2.62 10.55 14.87 109.08 -157.72 -86.61 114.75 99.83 0.10 0.07 99.59 0.15 0.14 0.04 0.01 0.00 0.05 0.02