# 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 104.87 7.40 16.30 24.66 117.31 -172.35 -104.28 131.29 99.60 0.40 0.00 99.61 0.09 0.01 0.00 0.00 0.00 0.27 0.01 1 G C C 38.59 8.19 14.28 23.35 121.10 -135.57 -90.06 162.84 76.34 23.59 0.08 74.64 0.65 0.31 0.01 0.04 0.00 23.70 0.65 2 I E E 63.13 12.12 13.91 26.88 120.40 -138.60 -110.29 131.63 27.93 71.99 0.08 24.71 2.26 0.19 0.02 0.06 0.00 72.08 0.68 3 V E E 69.81 10.63 16.54 27.96 123.11 -163.94 -115.54 135.40 7.34 92.63 0.03 6.75 0.38 0.03 0.01 0.01 0.00 92.64 0.17 4 Y E E 63.93 14.15 16.26 31.05 126.36 -170.80 -124.36 137.12 2.46 97.54 0.01 2.30 0.11 0.01 0.00 0.00 0.00 97.51 0.07 5 E E E 95.88 9.70 19.24 29.80 122.06 -159.69 -115.42 131.23 1.84 98.16 0.01 1.75 0.06 0.00 0.00 0.00 0.00 98.14 0.05 6 H E E 33.62 16.87 17.16 34.29 130.25 -177.31 -131.34 145.77 2.47 97.52 0.01 2.38 0.06 0.00 0.00 0.00 0.00 97.51 0.04 7 T E E 57.41 11.17 22.03 33.47 121.65 -154.30 -114.81 132.70 3.62 96.36 0.02 3.43 0.13 0.01 0.01 0.00 0.00 96.34 0.09 8 I E E 11.96 22.15 16.99 39.46 119.33 -164.18 -116.22 125.34 7.33 92.63 0.04 6.95 0.33 0.03 0.02 0.01 0.00 92.38 0.27 9 R E E 101.60 7.73 25.09 33.33 107.25 -136.46 -87.26 109.69 22.82 77.06 0.12 22.48 0.47 0.07 0.05 0.04 0.00 76.13 0.75 10 L C C 6.30 24.73 16.43 41.82 97.22 175.14 -90.00 -6.84 65.19 4.01 30.80 56.59 4.03 4.77 23.30 7.39 0.00 3.15 0.78 11 N H H 47.13 16.70 17.16 33.38 92.19 86.46 -60.00 -38.16 19.88 0.51 79.62 4.81 3.14 10.88 56.44 24.13 0.11 0.30 0.19 12 K H H 138.14 2.23 22.51 24.36 91.92 53.77 -67.51 -31.05 12.70 0.25 87.05 1.70 1.53 8.05 62.36 26.06 0.06 0.16 0.07 13 A H H 33.78 13.00 17.47 30.86 92.56 54.36 -74.40 -24.22 12.65 0.22 87.13 1.69 1.53 8.19 64.88 23.44 0.06 0.14 0.07 14 V H H 12.19 21.83 12.69 34.32 99.19 44.20 -98.70 -3.93 34.65 1.08 64.26 5.05 5.98 23.47 50.47 13.18 0.60 0.52 0.73 15 R C T 134.67 7.75 15.11 24.60 109.50 118.95 -63.51 126.02 85.22 0.90 13.88 4.51 5.23 74.32 11.73 3.02 0.02 0.35 0.82 16 G C T 65.00 0.83 16.96 16.29 94.95 9.85 81.15 0.94 96.69 0.12 3.19 4.99 8.79 83.27 1.62 1.20 0.00 0.06 0.07 17 K C S 73.55 10.72 10.56 22.45 123.06 119.71 -93.46 149.68 99.26 0.50 0.24 34.40 64.33 0.56 0.12 0.07 0.00 0.13 0.39 18 P C C 75.05 2.82 19.28 21.60 116.00 -101.01 -65.87 152.11 99.11 0.62 0.27 96.69 2.11 0.30 0.16 0.05 0.00 0.15 0.54 19 S H H 46.40 15.82 12.18 27.55 92.28 -110.47 -58.48 -39.22 10.35 0.06 89.59 1.26 1.68 7.24 77.95 11.76 0.06 0.02 0.04 20 K H H 134.61 4.43 18.33 23.98 91.63 54.69 -65.03 -36.30 7.82 0.03 92.15 0.41 0.60 6.42 79.23 13.27 0.03 0.02 0.01 21 K H H 122.51 3.32 21.50 24.68 94.47 45.71 -79.01 -28.05 7.55 0.05 92.40 0.66 0.64 5.80 78.09 14.73 0.02 0.03 0.02 22 A H H 12.01 18.04 16.42 34.66 93.44 52.53 -71.62 -33.46 8.12 0.08 91.81 1.82 1.26 5.06 88.57 3.22 0.01 0.03 0.03 23 A H H 10.18 21.20 18.25 39.10 91.96 67.28 -60.52 -44.98 1.68 0.01 98.31 0.37 0.15 0.93 97.98 0.56 0.00 0.00 0.00 24 P H H 60.08 6.55 25.53 32.40 91.69 50.04 -64.06 -41.07 0.60 0.00 99.40 0.11 0.03 0.35 99.01 0.50 0.00 0.00 0.00 25 I H H 61.25 7.52 26.26 34.52 91.70 49.53 -64.76 -41.69 0.11 0.00 99.89 0.01 0.01 0.06 99.76 0.16 0.00 0.00 0.00 26 A H H 2.10 24.82 20.62 45.53 91.47 50.53 -63.24 -43.68 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.03 0.00 0.00 0.00 27 I H H 16.98 21.08 23.13 43.20 91.45 50.17 -62.94 -43.03 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 28 R H H 130.53 3.62 27.86 31.71 91.33 50.46 -63.37 -41.83 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 29 A H H 22.62 12.59 24.37 37.35 91.75 49.54 -64.53 -42.19 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 30 I H H 1.32 27.49 20.72 48.72 91.41 49.57 -63.98 -43.74 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 31 R H H 77.15 16.17 23.90 38.44 91.29 50.67 -62.21 -42.46 0.06 0.00 99.94 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 32 A H H 51.63 3.58 26.70 29.96 91.23 49.89 -63.45 -42.68 0.12 0.00 99.88 0.00 0.00 0.08 99.92 0.00 0.00 0.00 0.00 33 Q H H 26.78 14.21 22.48 37.05 91.89 48.92 -64.66 -42.82 0.10 0.00 99.90 0.01 0.00 0.06 99.93 0.01 0.00 0.00 0.00 34 V H H 3.14 24.60 16.56 41.69 91.61 49.69 -63.93 -43.07 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 35 E H H 79.50 9.88 19.80 30.01 91.73 50.32 -63.63 -41.77 0.18 0.00 99.82 0.01 0.01 0.12 99.82 0.03 0.00 0.00 0.00 36 K H H 136.98 1.89 21.79 22.84 91.89 48.25 -65.11 -41.20 0.77 0.00 99.23 0.02 0.02 0.71 99.15 0.10 0.00 0.00 0.00 37 L H H 59.17 13.02 17.34 30.30 93.90 44.05 -72.05 -37.63 3.69 0.00 96.31 0.06 0.13 3.48 96.16 0.16 0.00 0.00 0.00 38 A H H 19.98 17.53 13.76 31.39 97.19 35.50 -94.78 -6.83 30.60 0.18 69.22 2.20 5.31 22.56 69.06 0.61 0.06 0.03 0.17 39 K C T 164.51 1.34 19.92 20.48 93.27 -127.03 58.03 38.15 99.58 0.11 0.31 29.65 5.34 64.70 0.11 0.11 0.00 0.05 0.04 40 V C C 30.77 15.91 10.31 26.46 127.65 133.59 -119.74 149.19 98.38 1.20 0.41 92.08 5.67 0.65 0.11 0.27 0.00 0.49 0.72 41 E C S 154.58 1.57 19.49 20.70 96.02 -146.45 -81.83 -18.80 98.80 0.86 0.34 17.81 71.76 9.29 0.03 0.36 0.00 0.58 0.18 42 D C S 75.75 7.60 20.36 28.45 105.51 53.10 -105.73 76.34 88.86 10.70 0.44 35.91 40.49 11.94 0.04 0.55 0.00 10.63 0.44 43 V E E 10.89 24.59 12.13 36.43 119.34 157.25 -105.57 132.19 38.35 61.52 0.13 36.27 1.91 0.16 0.04 0.09 0.00 59.10 2.43 44 R E E 106.81 7.02 26.47 34.21 127.13 -168.72 -121.91 141.14 23.34 76.57 0.08 22.94 0.65 0.08 0.03 0.05 0.00 73.52 2.73 45 L E E 32.49 22.41 15.32 36.98 116.48 -133.61 -91.00 130.46 36.83 63.10 0.07 36.26 1.04 0.06 0.04 0.03 0.00 57.57 5.00 46 D C C 39.70 12.62 17.57 31.23 108.28 -131.55 -85.37 114.38 99.21 0.73 0.07 98.94 0.46 0.03 0.04 0.00 0.00 0.47 0.06 47 P H H 83.57 6.21 17.46 25.21 92.30 -153.60 -62.55 -31.39 8.96 0.03 91.01 1.22 0.88 6.56 88.98 2.32 0.01 0.02 0.01 48 S H H 67.86 2.90 20.93 23.53 91.66 56.67 -64.88 -38.83 5.02 0.03 94.94 0.53 0.46 3.96 92.55 2.44 0.02 0.02 0.01 49 V H H 10.91 19.85 16.17 36.18 92.50 49.43 -65.75 -42.23 1.63 0.02 98.35 0.32 0.20 1.03 96.55 1.88 0.01 0.01 0.00 50 N H H 26.78 18.96 16.97 35.42 91.81 53.16 -62.41 -42.31 0.94 0.01 99.05 0.24 0.10 0.51 98.55 0.59 0.00 0.01 0.00 51 V H H 82.77 3.01 23.05 25.14 91.74 50.05 -63.98 -41.58 0.72 0.01 99.27 0.11 0.06 0.48 98.92 0.43 0.00 0.00 0.00 52 F H H 74.12 7.39 21.04 29.24 91.78 49.37 -64.80 -42.54 0.91 0.01 99.08 0.09 0.07 0.70 98.65 0.48 0.00 0.00 0.00 53 V H H 4.92 23.58 14.50 38.25 91.74 48.72 -64.49 -42.98 2.35 0.02 97.63 0.22 0.19 1.85 96.90 0.80 0.01 0.01 0.01 54 W H H 92.59 13.44 17.04 30.36 92.22 49.52 -66.16 -37.35 8.51 0.06 91.42 0.82 0.65 7.00 88.54 2.88 0.04 0.03 0.03 55 S H H 81.15 1.90 19.53 20.77 92.59 53.54 -68.99 -31.25 23.75 0.11 76.14 1.24 1.73 20.65 73.19 3.00 0.08 0.05 0.07 56 R C H 120.13 6.01 16.62 23.56 97.72 41.25 -93.26 -10.00 52.95 0.50 46.55 3.39 9.49 39.76 43.13 3.47 0.18 0.18 0.40 57 G C T 16.48 8.32 17.98 28.16 126.24 -116.39 93.72 170.89 78.19 1.66 20.15 31.14 11.93 35.91 11.90 7.35 0.02 0.73 1.01 58 I C G 42.92 20.00 12.79 31.98 93.14 -69.09 -66.07 -25.43 52.15 2.06 45.79 12.61 10.76 29.41 5.83 39.01 0.09 1.02 1.28 59 R C G 162.66 3.07 19.72 23.51 91.76 64.02 -69.95 -22.17 55.70 1.32 42.98 6.25 11.65 37.15 4.13 39.26 0.07 0.67 0.84 60 H C G 114.86 5.30 20.39 26.26 99.83 43.63 -103.77 10.99 56.60 1.98 41.41 16.84 14.88 25.29 2.97 38.07 0.02 0.96 0.97 61 V C C 12.97 23.80 12.17 35.64 116.40 119.52 -78.14 137.60 98.27 1.55 0.18 55.22 42.93 0.42 0.07 0.08 0.00 0.60 0.69 62 P C C 27.58 14.69 19.87 35.27 113.09 -107.71 -66.46 144.41 96.16 3.59 0.26 92.77 3.19 0.58 0.06 0.16 0.00 2.54 0.69 63 R C S 107.52 12.15 20.59 32.45 99.21 -159.88 -87.96 -29.40 88.81 11.01 0.18 21.21 66.28 1.59 0.02 0.15 0.00 10.10 0.64 64 R E E 94.29 8.58 23.79 33.11 133.48 24.05 -140.30 142.87 25.41 74.17 0.42 19.69 5.55 0.95 0.09 0.33 0.00 72.57 0.82 65 I E E 7.07 25.07 16.14 41.64 125.88 -167.45 -127.12 137.76 7.65 92.25 0.09 7.22 0.49 0.06 0.03 0.04 0.00 91.89 0.27 66 R E E 79.19 9.86 26.32 36.74 118.92 -151.73 -107.55 129.70 3.99 95.96 0.04 3.59 0.26 0.03 0.01 0.01 0.00 96.01 0.08 67 L E E 6.52 25.03 17.28 42.64 124.95 -171.05 -120.54 136.46 2.05 97.92 0.02 1.87 0.12 0.01 0.01 0.01 0.00 97.94 0.04 68 E E E 52.44 10.07 26.34 37.10 119.03 -159.60 -111.45 130.08 1.22 98.76 0.02 1.10 0.06 0.01 0.00 0.00 0.00 98.80 0.03 69 V E E 8.10 24.03 16.60 40.94 122.03 -163.97 -113.45 131.87 2.37 97.58 0.05 2.11 0.11 0.02 0.02 0.01 0.00 97.65 0.07 70 R E E 89.15 8.44 24.16 32.90 126.09 -171.96 -122.68 140.67 4.07 95.80 0.13 3.57 0.27 0.08 0.05 0.05 0.00 95.80 0.19 71 L E E 48.45 15.76 14.10 29.92 117.80 -141.93 -100.00 134.03 18.41 81.21 0.38 16.10 1.79 0.44 0.12 0.20 0.00 80.72 0.63 72 E C C 88.82 7.25 14.83 23.47 115.89 -154.50 -101.02 134.78 56.66 41.90 1.45 41.63 10.39 4.42 0.30 1.12 0.00 41.10 1.05 73 G C C 46.95 3.77 12.52 17.70 116.45 -9.98 91.03 -167.64 80.82 15.63 3.55 34.10 26.84 20.96 0.52 2.98 0.01 13.13 1.47 74 D C C 105.71 2.99 10.46 14.88 106.76 -59.41 -93.56 56.61 88.74 5.51 5.75 38.31 27.05 24.19 0.99 4.62 0.00 3.48 1.37 75 D C C 110.55 2.73 9.88 14.00 99.93 69.02 -78.02 -16.09 89.01 2.12 8.87 30.74 28.34 30.66 1.79 6.48 0.00 1.18 0.81 76 E C C 145.81 1.84 11.72 14.31 99.25 40.46 -83.56 -13.26 88.36 4.11 7.52 41.67 21.94 25.44 2.02 5.08 0.00 2.81 1.03 77 H C C 100.21 6.59 11.64 19.74 115.15 68.72 -101.90 128.00 86.71 9.74 3.54 69.37 9.42 7.70 1.16 2.27 0.00 8.93 1.15 78 K C C 90.70 9.90 13.90 24.82 116.59 -152.12 -98.60 131.03 80.31 18.43 1.25 73.68 3.77 1.85 0.54 0.64 0.00 18.63 0.89 79 F C E 58.55 12.75 16.91 30.57 128.52 -170.38 -124.22 145.36 52.20 46.84 0.96 47.18 2.71 0.77 0.55 0.40 0.00 47.53 0.86 80 A E E 22.52 16.48 17.38 34.23 122.14 -149.19 -111.64 137.43 21.89 76.79 1.33 19.11 1.73 0.59 0.95 0.47 0.00 76.63 0.54 81 Y E E 65.89 12.02 21.74 34.35 120.75 -158.41 -111.77 130.68 9.11 89.58 1.31 7.86 0.85 0.36 1.05 0.36 0.00 89.13 0.38 82 V E E 21.69 20.53 16.82 37.23 119.85 -158.93 -111.11 127.77 6.84 92.29 0.87 6.13 0.44 0.17 0.80 0.19 0.00 92.05 0.22 83 I E E 58.12 10.24 22.32 33.14 124.07 -169.95 -119.13 138.13 6.26 93.36 0.38 5.66 0.38 0.11 0.35 0.09 0.00 93.21 0.21 84 N E E 62.07 15.36 17.01 31.86 115.93 -136.00 -91.89 130.68 11.55 88.17 0.28 9.85 1.39 0.20 0.19 0.10 0.00 87.85 0.42 85 K E E 66.45 12.29 17.02 30.03 124.67 -171.93 -121.10 138.44 25.17 74.55 0.28 22.73 2.01 0.22 0.15 0.12 0.00 73.81 0.96 86 D E E 97.38 4.53 19.99 25.32 110.74 -120.98 -79.60 121.65 37.83 61.76 0.41 34.58 2.48 0.37 0.16 0.24 0.00 60.60 1.56 87 V C C 28.31 18.73 9.36 27.18 121.51 -167.91 -113.22 135.49 75.76 18.11 6.12 68.83 4.52 2.30 1.97 3.96 0.00 15.65 2.77 88 E C C 147.74 1.63 17.49 18.93 98.00 -163.66 -81.35 -26.48 78.89 7.01 14.10 31.35 28.76 20.21 2.60 10.87 0.03 4.58 1.60 89 N C C 90.74 4.04 17.73 22.58 124.14 13.00 -140.83 128.25 78.04 5.59 16.37 28.09 27.48 23.83 2.68 12.93 0.02 3.25 1.72 90 F C C 47.24 19.96 8.96 27.27 101.83 -159.35 -93.91 12.31 72.10 4.22 23.68 53.24 7.93 9.59 2.98 22.40 0.00 2.74 1.13 91 K C T 136.24 3.39 16.37 21.06 103.41 113.59 -76.46 -5.71 75.04 4.97 19.99 16.82 14.57 43.85 2.32 17.77 0.02 3.17 1.47 92 H C T 136.90 3.13 17.41 21.06 98.22 26.06 -71.97 20.67 74.98 7.13 17.89 17.98 15.07 42.69 1.87 15.83 0.01 5.33 1.22 93 L C C 40.70 19.75 9.18 27.36 115.92 144.92 -81.69 134.12 76.23 20.64 3.13 65.66 8.03 1.97 0.72 2.41 0.00 19.45 1.76 94 T E E 79.48 4.51 20.18 25.42 124.13 -171.12 -117.00 143.55 49.43 49.50 1.07 44.51 3.34 0.95 0.44 0.62 0.00 47.68 2.45 95 T E E 62.83 15.55 12.53 27.33 120.81 -148.94 -108.77 135.55 40.34 58.74 0.92 34.45 4.78 0.96 0.34 0.56 0.00 57.29 1.63 96 E E E 101.69 5.99 16.99 24.41 123.89 -171.19 -120.77 139.53 31.37 67.63 1.00 27.26 3.45 0.85 0.44 0.54 0.00 65.41 2.04 97 K E E 118.99 7.75 13.92 23.07 114.07 -124.43 -86.23 130.01 37.54 61.12 1.34 33.45 2.80 0.98 0.66 0.73 0.00 58.40 2.98 98 K C C 100.03 9.31 12.31 22.64 110.56 -163.26 -95.54 121.05 74.17 17.99 7.84 46.11 14.77 13.64 2.89 4.55 0.02 16.21 1.81 99 G C C 45.46 4.67 14.14 20.03 106.47 1.41 87.92 -6.27 82.03 7.17 10.80 40.13 23.23 19.92 3.78 6.32 0.03 4.95 1.64 100 S C C 66.79 5.84 12.25 19.47 106.57 96.42 -87.13 59.74 77.34 3.37 19.28 43.15 19.11 15.83 7.41 11.25 0.02 1.86 1.38 101 E C C 118.75 5.84 11.27 18.52 101.85 94.58 -82.29 4.21 74.55 2.50 22.94 39.12 17.74 18.47 9.01 13.17 0.01 1.24 1.24 102 D C C 100.47 3.91 11.51 16.99 102.44 75.68 -86.37 14.35 72.80 1.94 25.26 29.30 17.34 27.25 8.28 15.84 0.03 0.95 1.01 103 G C C 48.50 5.16 10.49 17.17 104.10 -11.24 0.56 8.63 76.30 2.26 21.44 32.28 16.07 29.11 6.50 13.81 0.02 1.13 1.07 104 S C C 75.93 3.89 9.63 15.35 108.00 116.74 -86.49 86.11 82.83 2.09 15.08 67.28 3.54 13.42 5.13 8.40 0.00 1.24 0.99 105 E C C 135.89 3.30 11.53 16.56 108.43 -131.87 -85.73 103.66 99.82 0.11 0.07 99.58 0.18 0.13 0.03 0.01 0.00 0.06 0.02