# 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 42.88 17.26 10.83 27.47 118.95 -141.59 -93.23 140.25 99.90 0.09 0.01 97.98 1.93 0.02 0.01 0.00 0.00 0.04 0.02 1 P C C 70.08 3.56 16.02 20.35 115.12 -103.76 -64.64 151.08 95.57 0.51 3.91 95.07 0.29 0.52 3.60 0.11 0.00 0.15 0.24 2 K H H 142.79 3.86 11.82 17.82 92.21 -109.31 -57.51 -38.73 5.38 0.02 94.61 1.44 0.95 2.88 93.31 1.39 0.00 0.00 0.01 3 K H H 149.01 1.31 15.71 16.63 91.70 53.12 -64.62 -38.04 3.53 0.01 96.46 0.70 0.45 2.18 94.96 1.69 0.00 0.00 0.00 4 N H H 51.87 10.22 14.38 25.72 93.01 47.85 -68.83 -36.60 2.67 0.02 97.30 0.94 0.37 1.35 95.54 1.79 0.00 0.01 0.01 5 R H H 61.85 16.49 15.62 31.56 91.83 53.79 -62.61 -42.55 0.95 0.01 99.04 0.32 0.10 0.42 98.93 0.22 0.00 0.00 0.00 6 I H H 75.33 6.60 21.11 28.28 91.54 50.19 -63.75 -41.76 0.26 0.00 99.74 0.05 0.02 0.13 99.76 0.05 0.00 0.00 0.00 7 A H H 38.39 5.89 22.23 28.95 91.47 50.67 -63.97 -42.03 0.15 0.00 99.85 0.02 0.01 0.09 99.84 0.04 0.00 0.00 0.00 8 I H H 12.36 20.93 19.57 40.40 92.07 49.41 -64.26 -43.86 0.14 0.00 99.86 0.01 0.00 0.10 99.84 0.04 0.00 0.00 0.00 9 Y H H 37.71 19.60 21.01 39.48 91.53 50.40 -63.47 -42.20 0.18 0.00 99.82 0.01 0.01 0.13 99.80 0.05 0.00 0.00 0.00 10 E H H 89.16 5.63 24.18 30.01 91.58 51.17 -63.74 -41.42 0.20 0.00 99.80 0.01 0.01 0.16 99.75 0.07 0.00 0.00 0.00 11 L H H 35.52 11.03 21.88 33.81 91.89 50.06 -64.79 -42.37 0.37 0.00 99.63 0.02 0.01 0.33 99.48 0.17 0.00 0.00 0.00 12 L H H 5.25 24.56 17.40 41.95 91.80 49.63 -64.36 -42.43 0.92 0.00 99.08 0.06 0.06 0.77 98.61 0.50 0.00 0.00 0.00 13 F H H 58.11 16.93 19.11 35.00 92.73 47.41 -67.56 -39.04 2.97 0.01 97.02 0.23 0.20 2.47 95.47 1.62 0.01 0.00 0.00 14 K H H 134.37 2.82 22.92 25.72 93.02 47.86 -70.13 -36.30 10.56 0.03 89.42 0.39 0.56 9.66 87.91 1.44 0.02 0.01 0.01 15 E H H 77.81 10.26 20.18 30.68 96.80 36.60 -93.94 -10.04 38.97 0.10 60.94 1.12 2.89 33.79 60.58 1.47 0.04 0.03 0.07 16 G C T 12.69 15.26 21.75 37.16 99.26 -110.78 83.75 14.20 98.05 1.26 0.69 23.35 9.83 65.15 0.28 0.26 0.00 0.99 0.14 17 V E E 10.53 22.62 21.95 44.16 123.04 141.85 -109.11 140.15 42.85 57.09 0.06 39.13 2.33 0.16 0.01 0.04 0.00 57.52 0.80 18 M E E 12.10 22.29 25.62 46.91 122.19 -158.73 -110.56 134.84 5.03 94.95 0.02 4.78 0.24 0.02 0.01 0.01 0.00 94.40 0.54 19 V E E 21.94 20.23 26.23 45.24 120.31 -155.51 -109.73 130.52 3.18 96.80 0.02 2.99 0.16 0.02 0.01 0.01 0.00 96.31 0.50 20 A E E 7.26 22.82 18.43 41.00 121.54 -149.29 -99.44 144.39 16.60 83.33 0.07 15.77 0.71 0.07 0.03 0.04 0.00 82.41 0.97 21 K C E 102.56 8.76 23.32 32.04 111.40 -120.89 -76.94 142.37 52.84 46.58 0.58 37.75 13.93 1.92 0.12 0.49 0.00 44.36 1.43 22 K C S 95.58 11.56 18.96 30.22 114.20 -82.80 -85.41 137.12 87.96 10.51 1.53 30.80 50.16 7.14 0.25 1.27 0.00 8.86 1.51 23 D C C 48.61 13.22 15.47 29.09 108.16 -136.69 -101.89 104.83 93.64 4.73 1.63 79.10 10.68 3.54 0.35 1.45 0.00 2.91 1.97 24 V C T 75.05 9.96 15.25 26.22 95.91 -172.05 -78.19 -13.42 95.53 2.19 2.28 21.19 26.15 48.26 0.36 2.00 0.00 1.23 0.81 25 H C T 133.29 3.50 17.62 21.90 98.69 56.63 -94.91 7.57 96.00 1.61 2.38 20.43 27.18 48.38 0.40 2.03 0.00 0.84 0.74 26 M C C 49.91 15.47 9.36 24.56 115.75 117.66 -79.91 138.18 89.54 1.66 8.80 55.46 28.22 5.31 1.08 8.05 0.00 0.63 1.25 27 P C C 86.29 3.73 17.42 21.72 112.45 -107.83 -65.66 149.58 89.12 0.82 10.05 55.10 13.06 19.12 0.95 10.91 0.00 0.43 0.43 28 K C C 130.63 5.99 15.18 22.72 111.41 -99.88 -76.55 136.44 84.77 2.05 13.17 41.93 21.28 20.63 1.42 12.49 0.00 0.84 1.42 29 H C C 43.77 15.81 9.97 25.63 108.79 -134.38 -100.00 104.03 97.62 0.69 1.69 81.69 14.92 0.95 0.99 0.55 0.00 0.19 0.70 30 P H G 90.57 2.64 16.51 19.68 93.23 -155.53 -62.12 -32.84 35.58 0.17 64.26 4.51 3.39 25.39 24.80 41.71 0.01 0.09 0.11 31 E H G 109.46 3.78 15.62 20.39 91.86 56.70 -67.70 -29.67 33.66 0.16 66.18 1.88 2.73 26.87 25.85 42.42 0.03 0.08 0.13 32 L H G 20.70 17.30 9.72 26.73 96.99 48.74 -87.30 -20.58 28.92 0.42 70.65 4.15 3.96 19.07 28.52 43.80 0.04 0.21 0.25 33 A H T 55.76 8.25 12.33 22.00 93.28 71.62 -64.16 -34.18 49.11 0.51 50.37 7.23 5.49 34.19 30.70 21.62 0.08 0.25 0.44 34 D C T 123.09 0.96 15.31 15.07 95.04 49.55 -81.23 -8.75 62.09 0.45 37.47 6.19 7.21 47.32 19.54 19.05 0.05 0.21 0.43 35 K C T 109.98 6.67 12.65 20.52 101.86 57.06 -94.66 8.21 79.26 0.60 20.13 10.32 25.91 43.94 8.31 10.60 0.01 0.25 0.65 36 N C T 126.34 2.37 17.84 20.77 97.84 -120.95 42.17 44.34 98.01 0.43 1.55 28.90 19.16 50.08 0.43 0.99 0.00 0.22 0.22 37 V C C 19.73 19.25 11.22 30.38 114.86 152.01 -96.31 124.94 98.09 1.54 0.37 83.41 14.26 0.36 0.28 0.09 0.00 0.50 1.11 38 P C C 50.07 6.83 22.83 30.49 111.24 -119.94 -68.62 137.51 97.03 1.43 1.54 96.07 0.84 0.43 1.18 0.15 0.00 0.41 0.92 39 N H H 40.19 19.84 15.64 34.42 93.77 -132.53 -63.22 -34.62 15.04 0.14 84.81 10.53 2.59 2.99 82.71 1.06 0.00 0.04 0.08 40 L H H 82.24 6.61 22.25 29.21 91.60 59.80 -63.73 -36.13 1.82 0.01 98.16 0.56 0.20 0.91 97.43 0.88 0.00 0.01 0.00 41 H H H 67.77 9.85 22.20 32.47 91.85 52.15 -65.50 -40.39 0.57 0.01 99.42 0.15 0.05 0.31 98.44 1.04 0.00 0.01 0.00 42 V H H 3.33 25.27 17.86 43.34 91.59 50.02 -63.66 -43.50 0.27 0.00 99.73 0.06 0.02 0.14 99.32 0.46 0.00 0.00 0.00 43 M H H 46.20 15.60 21.41 36.45 91.55 51.08 -62.95 -41.95 0.23 0.00 99.76 0.03 0.01 0.15 99.45 0.36 0.00 0.00 0.00 44 K H H 114.81 3.26 25.50 28.42 91.50 50.73 -64.37 -40.59 0.75 0.00 99.25 0.06 0.03 0.58 98.44 0.89 0.00 0.00 0.00 45 A H H 16.77 15.95 20.06 36.32 91.74 50.62 -65.59 -39.15 3.10 0.00 96.90 0.12 0.12 2.75 95.68 1.32 0.00 0.00 0.00 46 M H H 9.51 23.77 16.64 40.10 93.15 51.09 -74.12 -24.87 14.09 0.06 85.85 1.19 1.03 11.55 83.22 2.93 0.03 0.03 0.03 47 Q H H 95.88 7.64 20.73 29.18 92.68 76.93 -61.27 -38.79 31.90 0.55 67.55 5.47 3.39 22.49 56.25 11.71 0.10 0.32 0.26 48 S H H 56.08 4.68 21.10 25.73 92.39 53.15 -67.05 -33.45 40.71 0.98 58.31 7.49 4.91 27.33 45.94 13.22 0.11 0.61 0.38 49 L H H 17.25 19.67 13.48 32.97 93.25 55.91 -69.52 -32.67 35.78 3.72 60.51 16.64 7.32 13.33 42.41 16.55 0.19 2.30 1.25 50 K H H 99.71 11.59 15.48 27.14 92.62 61.53 -63.87 -39.06 34.03 9.38 56.59 18.23 6.48 11.89 38.14 15.85 0.27 6.88 2.27 51 S H H 85.01 1.87 17.15 18.98 90.72 56.33 -68.45 -20.79 36.93 15.22 47.85 12.03 7.94 18.76 27.35 17.90 1.49 9.77 4.76 52 R C T 124.19 6.12 14.86 22.33 93.01 56.69 -88.67 3.20 82.37 1.30 16.33 3.31 10.91 68.86 7.26 8.02 0.08 0.71 0.84 53 G C T 46.33 4.50 18.77 24.13 94.60 -110.36 80.47 11.75 97.70 0.25 2.05 2.30 12.15 83.74 0.35 1.22 0.00 0.14 0.10 54 Y C S 42.62 16.01 15.99 32.62 97.15 116.85 -88.30 -22.39 81.18 18.10 0.72 17.32 52.33 12.10 0.18 0.57 0.00 15.72 1.77 55 V E E 8.03 23.21 12.67 36.04 132.92 31.40 -134.57 148.59 24.17 75.67 0.17 17.48 6.99 0.53 0.07 0.12 0.00 71.26 3.55 56 K E E 109.12 4.69 23.59 28.65 123.08 -147.77 -111.63 142.90 11.07 88.92 0.01 10.25 0.52 0.03 0.00 0.01 0.00 88.84 0.35 57 E E E 82.18 16.24 14.00 29.36 122.11 -140.08 -109.16 136.98 4.61 95.38 0.00 4.43 0.17 0.01 0.00 0.00 0.00 95.28 0.11 58 Q E E 81.42 6.89 16.86 25.22 126.16 -171.82 -126.20 137.31 3.94 96.06 0.01 3.53 0.26 0.02 0.00 0.00 0.00 96.06 0.12 59 F E E 115.44 7.96 12.50 21.94 118.29 -143.87 -103.51 132.51 14.24 85.73 0.03 12.02 1.44 0.15 0.00 0.02 0.00 85.77 0.59 60 A C C 47.05 7.64 10.64 20.01 117.61 -175.97 -120.59 125.27 61.42 38.47 0.10 50.87 8.07 0.69 0.02 0.10 0.00 39.54 0.71 61 W C S 190.61 2.48 12.96 15.97 100.73 -54.08 16.57 -26.85 94.81 4.29 0.90 18.81 55.24 20.90 0.09 0.82 0.00 3.60 0.53 62 R C S 166.04 2.95 13.89 17.59 99.49 -21.42 -87.63 -10.54 97.63 1.58 0.79 10.81 61.72 25.17 0.07 0.74 0.00 1.29 0.21 63 H C E 71.52 9.27 13.65 24.39 128.60 49.29 -126.45 148.58 61.12 38.29 0.60 23.88 26.08 11.53 0.05 0.65 0.00 37.08 0.73 64 F E E 52.23 12.93 15.86 30.17 119.06 -136.36 -104.55 133.40 13.67 86.30 0.03 11.97 1.13 0.14 0.00 0.02 0.00 86.41 0.32 65 Y E E 34.17 14.80 19.50 35.37 127.54 -172.96 -124.92 143.76 1.51 98.49 0.00 1.38 0.06 0.00 0.00 0.00 0.00 98.51 0.05 66 W E E 25.09 19.22 20.24 39.69 122.02 -152.52 -109.48 136.35 0.67 99.33 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.37 0.01 67 Y E E 46.24 14.77 25.13 39.81 124.19 -165.55 -119.19 136.53 1.92 98.08 0.00 1.73 0.07 0.00 0.00 0.00 0.00 98.11 0.09 68 L E E 7.65 23.91 17.55 42.07 114.66 -129.89 -83.80 133.56 12.01 87.99 0.00 12.02 0.18 0.00 0.00 0.00 0.00 86.55 1.24 69 T C C 28.44 11.18 21.86 33.95 124.69 -140.43 -88.47 169.21 90.87 9.09 0.05 90.87 0.81 0.03 0.02 0.01 0.00 7.90 0.36 70 N H H 91.48 7.70 19.21 27.88 91.09 -97.60 -59.87 -38.46 2.01 0.00 97.99 0.31 0.31 1.19 97.91 0.27 0.00 0.00 0.00 71 E H H 105.30 3.10 23.32 25.88 91.50 52.57 -64.15 -40.24 0.44 0.00 99.56 0.03 0.02 0.35 99.41 0.20 0.00 0.00 0.00 72 G H H 3.12 20.72 16.67 38.03 91.45 50.72 -63.76 -43.12 0.26 0.00 99.74 0.03 0.01 0.16 99.59 0.21 0.00 0.00 0.00 73 I H H 15.83 20.23 17.99 38.10 91.58 50.29 -63.46 -42.54 0.11 0.00 99.89 0.01 0.01 0.06 99.88 0.04 0.00 0.00 0.00 74 Q H H 97.06 3.42 24.07 27.02 91.49 50.98 -63.45 -41.95 0.18 0.00 99.82 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 75 Y H H 69.23 8.42 21.48 30.88 91.75 49.16 -64.37 -42.72 0.35 0.00 99.65 0.02 0.01 0.24 99.68 0.04 0.00 0.00 0.00 76 L H H 5.64 23.62 16.42 40.16 91.52 48.35 -64.58 -42.57 0.31 0.00 99.69 0.02 0.01 0.21 99.69 0.07 0.00 0.00 0.00 77 R H H 69.85 13.33 17.11 30.61 91.96 50.22 -64.33 -41.06 0.32 0.00 99.68 0.02 0.01 0.22 99.65 0.09 0.00 0.00 0.00 78 D H H 104.59 1.59 20.73 20.99 93.74 45.89 -68.41 -39.64 1.03 0.00 98.97 0.03 0.03 0.94 98.83 0.17 0.00 0.00 0.00 79 Y H H 92.26 10.04 17.22 27.81 97.84 39.83 -81.03 -38.13 5.94 0.01 94.06 0.09 0.22 5.90 93.51 0.27 0.01 0.00 0.00 80 L H H 29.05 17.34 14.32 31.93 98.41 32.90 -99.85 -8.59 42.72 0.19 57.10 1.77 5.70 33.57 57.96 0.75 0.06 0.04 0.16 81 H C T 137.72 3.41 20.54 24.54 93.97 -125.86 58.83 39.28 99.56 0.07 0.37 37.82 3.68 58.17 0.15 0.11 0.00 0.03 0.04 82 L C C 23.19 18.82 9.96 28.52 121.16 157.11 -88.06 142.59 99.78 0.20 0.03 89.59 10.07 0.08 0.01 0.01 0.00 0.05 0.18 83 P C C 60.11 4.15 19.76 24.36 113.84 -102.74 -64.34 144.68 99.90 0.04 0.05 99.67 0.23 0.04 0.01 0.01 0.00 0.01 0.02 84 P H G 74.14 12.20 11.63 24.21 91.34 -118.09 -58.33 -31.49 30.46 0.06 69.48 0.92 1.53 24.91 1.30 71.30 0.00 0.03 0.01 85 E H G 152.72 1.17 18.22 18.63 90.03 62.70 -69.03 -18.89 29.72 0.08 70.20 0.56 1.32 25.72 1.42 70.93 0.00 0.05 0.01 86 I H G 67.71 10.71 15.39 26.82 97.22 49.38 -93.11 -14.17 29.42 0.25 70.33 1.48 3.12 22.92 1.99 70.28 0.00 0.15 0.06 87 V C S 17.55 21.36 10.75 31.42 116.42 89.03 -94.80 129.52 97.63 0.94 1.43 16.43 80.87 0.38 1.40 0.09 0.00 0.21 0.62 88 P C C 39.20 8.62 16.18 26.89 113.41 -113.45 -65.18 146.24 91.91 3.60 4.50 88.54 2.51 0.94 2.90 1.03 0.00 1.17 2.93 89 A H G 70.06 5.08 14.99 21.62 92.13 -120.44 -59.79 -32.43 30.95 0.43 68.62 6.54 5.29 18.07 25.36 44.28 0.01 0.23 0.21 90 T H G 76.92 4.60 15.35 21.14 91.34 62.26 -66.82 -25.92 29.32 0.52 70.16 6.11 4.23 17.39 27.95 43.80 0.02 0.29 0.21 91 L H G 45.49 14.89 10.98 25.81 94.23 56.24 -76.50 -20.36 27.39 1.41 71.21 11.26 5.40 11.11 26.34 44.63 0.01 0.79 0.45 92 R C C 127.25 8.20 12.31 21.46 99.96 67.74 -79.50 -6.21 55.10 5.79 39.11 30.44 13.39 12.30 23.18 14.89 0.08 2.59 3.13 93 R C C 158.23 3.04 10.64 15.36 106.66 86.07 -83.83 84.80 84.77 2.72 12.51 73.83 2.60 9.10 8.97 2.58 0.00 1.56 1.36 94 S C C 84.11 3.02 11.97 16.72 109.55 -127.45 -85.29 112.44 99.94 0.03 0.03 99.82 0.08 0.07 0.02 0.00 0.00 0.01 0.00