# 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 S C C 58.52 6.56 20.42 26.97 106.59 -126.16 -82.78 102.36 99.77 0.09 0.14 99.71 0.08 0.06 0.09 0.00 0.00 0.03 0.02 1 I H H 28.08 20.18 13.71 32.75 95.49 96.25 -71.60 -31.65 29.11 0.27 70.62 21.95 1.20 5.76 69.79 1.06 0.00 0.10 0.14 2 N H H 63.73 13.34 15.68 28.80 92.95 59.18 -63.14 -40.66 13.72 0.07 86.20 6.07 1.74 5.63 85.49 1.01 0.00 0.03 0.03 3 S H H 68.78 1.97 20.47 21.14 92.32 52.05 -65.70 -39.25 5.79 0.04 94.16 2.50 0.87 2.54 92.99 1.07 0.00 0.02 0.02 4 R H H 86.11 10.17 19.03 29.65 92.19 50.18 -66.16 -40.52 2.05 0.02 97.93 0.82 0.29 0.95 97.39 0.54 0.00 0.01 0.01 5 L H H 5.93 24.63 14.41 39.04 91.50 50.72 -63.95 -41.84 0.84 0.01 99.15 0.30 0.10 0.38 99.02 0.20 0.00 0.00 0.00 6 Q H H 86.43 7.59 20.82 28.97 91.61 53.09 -62.64 -40.96 0.61 0.01 99.38 0.19 0.06 0.29 99.32 0.14 0.00 0.00 0.00 7 L H H 81.87 3.06 22.36 24.74 91.84 50.58 -64.14 -41.98 0.65 0.02 99.33 0.18 0.06 0.35 99.22 0.18 0.00 0.01 0.00 8 V H H 15.37 17.13 15.91 33.66 92.00 49.79 -64.71 -42.04 1.00 0.11 98.89 0.30 0.11 0.55 98.66 0.31 0.01 0.06 0.01 9 M H H 49.83 17.60 14.74 31.56 92.11 50.81 -64.69 -39.25 2.17 0.09 97.73 0.54 0.19 1.35 97.05 0.79 0.01 0.06 0.02 10 K H H 154.24 1.62 19.18 20.52 91.59 52.95 -67.01 -30.42 7.73 0.06 92.21 0.58 0.45 6.60 91.54 0.76 0.02 0.03 0.02 11 S H H 67.30 4.27 16.92 21.93 94.00 49.38 -85.31 -10.43 37.80 0.09 62.11 1.15 2.66 32.95 62.19 0.94 0.03 0.03 0.06 12 G C T 32.29 10.86 16.26 27.48 100.93 -105.83 81.52 9.52 99.02 0.66 0.31 7.23 41.23 50.63 0.07 0.19 0.00 0.57 0.09 13 K C C 98.71 9.62 21.36 30.96 107.19 105.73 -96.20 79.45 68.79 30.68 0.54 48.99 16.32 1.53 0.07 0.48 0.00 32.13 0.48 14 Y E E 37.37 21.57 17.08 37.81 126.92 72.03 -119.21 140.85 11.43 88.22 0.35 9.86 1.59 0.28 0.14 0.22 0.00 86.99 0.93 15 V E E 25.19 16.16 23.17 39.42 122.05 -162.48 -117.92 132.48 5.75 94.19 0.06 5.86 0.19 0.02 0.04 0.02 0.00 92.77 1.10 16 L E E 50.24 16.64 22.80 38.35 121.01 -159.71 -112.84 132.15 20.16 79.80 0.03 17.96 1.56 0.06 0.01 0.02 0.00 79.82 0.57 17 G C S 15.53 10.78 25.18 36.97 123.49 21.62 97.28 160.94 94.44 2.92 2.64 18.96 73.46 2.01 3.11 0.24 0.00 1.53 0.69 18 Y H H 48.09 21.21 16.70 36.84 92.19 -92.28 -60.97 -39.70 2.14 0.01 97.85 0.22 0.47 1.25 97.84 0.22 0.00 0.00 0.00 19 K H H 130.75 3.80 23.56 27.99 91.53 52.46 -62.92 -41.69 0.81 0.00 99.19 0.06 0.07 0.59 99.08 0.20 0.00 0.00 0.00 20 Q H H 74.88 7.39 23.19 30.84 91.80 47.85 -66.13 -40.39 0.25 0.00 99.75 0.03 0.02 0.16 99.61 0.18 0.00 0.00 0.00 21 T H H 1.80 26.40 16.67 43.74 91.29 50.60 -63.72 -43.34 0.09 0.00 99.91 0.01 0.00 0.05 99.89 0.04 0.00 0.00 0.00 22 L H H 26.19 18.43 21.39 39.15 91.25 50.32 -63.20 -42.42 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 23 K H H 110.10 2.62 26.17 27.67 91.61 50.80 -63.79 -41.92 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 24 M H H 25.12 13.60 20.11 34.71 91.49 49.71 -64.30 -42.36 0.08 0.00 99.92 0.00 0.00 0.06 99.89 0.04 0.00 0.00 0.00 25 I H H 4.09 25.55 14.82 40.67 91.35 49.37 -63.67 -43.09 0.21 0.00 99.79 0.01 0.01 0.17 99.66 0.16 0.00 0.00 0.00 26 R H H 124.15 8.90 19.52 29.00 91.13 51.50 -64.26 -34.11 2.14 0.00 97.86 0.03 0.04 2.21 97.51 0.21 0.00 0.00 0.00 27 Q C T 116.74 2.50 20.28 22.28 92.12 52.56 -83.66 -6.59 73.92 0.01 26.07 0.16 0.70 72.71 26.02 0.40 0.00 0.00 0.01 28 G C T 36.98 11.59 15.51 27.36 95.26 -112.90 79.30 11.75 99.79 0.00 0.20 0.51 1.84 97.53 0.08 0.03 0.00 0.00 0.00 29 K C S 109.86 6.04 22.14 28.90 94.71 122.93 -84.14 -16.35 99.71 0.24 0.05 48.02 50.63 1.11 0.01 0.03 0.00 0.09 0.10 30 A C C 4.12 25.41 13.04 38.52 120.69 71.62 -101.28 138.35 92.47 7.50 0.04 84.19 7.58 0.31 0.00 0.05 0.00 7.56 0.29 31 K C S 87.98 9.87 26.71 37.64 100.50 -169.84 -97.47 -27.47 91.16 8.84 0.01 16.44 74.31 0.19 0.00 0.01 0.00 8.96 0.09 32 L E E 9.69 21.49 26.52 47.27 135.83 15.16 -144.65 144.65 1.65 98.35 0.00 1.23 0.33 0.01 0.00 0.00 0.00 98.39 0.04 33 V E E 1.12 27.16 27.00 54.04 121.39 -162.00 -118.80 128.23 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 34 I E E 2.02 25.85 29.26 54.47 117.21 -163.08 -110.53 124.80 0.02 99.98 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.98 0.00 35 L E E 4.98 24.40 26.88 50.10 127.64 -173.57 -121.17 143.19 0.15 99.85 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.01 36 A E E 4.88 22.16 20.80 43.27 115.56 -118.57 -75.49 143.95 22.95 77.04 0.01 22.23 0.49 0.04 0.00 0.01 0.00 76.99 0.24 37 N C T 70.36 11.25 22.11 33.73 93.28 -124.31 -65.49 -24.30 90.87 8.72 0.40 3.55 24.28 63.60 0.02 0.44 0.00 7.73 0.37 38 N C T 96.30 5.15 22.42 28.36 95.36 57.47 -91.76 7.19 97.96 1.73 0.31 7.00 30.66 60.34 0.02 0.38 0.00 1.40 0.21 39 C C C 11.31 23.33 8.99 31.23 117.94 119.95 -75.76 143.80 97.88 1.87 0.25 49.98 47.65 0.44 0.11 0.09 0.00 0.60 1.12 40 P C C 62.52 4.29 18.46 23.43 113.96 -102.54 -63.72 148.68 99.33 0.24 0.43 98.45 0.74 0.29 0.24 0.06 0.00 0.07 0.15 41 A H H 80.56 3.79 13.63 19.40 91.71 -111.59 -57.76 -37.18 19.54 0.07 80.40 2.31 2.48 13.20 64.22 17.67 0.04 0.03 0.05 42 L H H 122.43 1.40 16.95 17.67 91.43 55.95 -65.64 -32.64 16.29 0.07 83.64 1.58 1.71 11.66 67.49 17.44 0.05 0.03 0.04 43 R H H 68.10 14.45 14.44 28.75 94.41 47.85 -78.02 -26.34 12.37 0.12 87.51 2.64 1.46 7.16 69.38 19.23 0.02 0.07 0.04 44 K H H 62.35 17.57 14.56 31.08 92.09 65.31 -60.99 -42.40 4.85 0.03 95.12 1.55 0.70 2.33 92.99 2.40 0.00 0.01 0.01 45 S H H 64.99 2.21 22.86 23.59 91.74 51.28 -64.13 -40.40 4.87 0.02 95.12 0.74 0.41 3.28 93.45 2.10 0.01 0.01 0.01 46 E H H 78.35 7.39 22.12 29.91 91.57 50.21 -64.80 -41.16 2.43 0.01 97.56 0.49 0.20 1.54 96.70 1.06 0.00 0.00 0.00 47 I H H 2.27 26.59 15.55 42.80 91.33 49.84 -64.66 -42.68 0.39 0.00 99.61 0.09 0.04 0.18 99.56 0.13 0.00 0.00 0.00 48 E H H 78.32 12.71 21.60 33.69 91.42 52.24 -62.16 -42.15 0.12 0.00 99.88 0.02 0.00 0.06 99.88 0.04 0.00 0.00 0.00 49 Y H H 129.48 2.10 25.09 25.29 91.62 49.67 -63.60 -42.44 0.09 0.00 99.91 0.01 0.00 0.06 99.89 0.04 0.00 0.00 0.00 50 Y H H 40.25 14.50 20.65 35.46 92.09 48.81 -64.70 -42.45 0.09 0.00 99.91 0.00 0.00 0.06 99.87 0.06 0.00 0.00 0.00 51 A H H 3.81 23.55 14.35 38.14 91.38 50.47 -63.59 -42.47 0.24 0.00 99.76 0.02 0.01 0.18 99.64 0.14 0.00 0.00 0.00 52 M H H 113.41 4.07 20.50 25.31 91.80 49.71 -64.27 -40.37 1.07 0.00 98.93 0.04 0.04 0.96 98.60 0.36 0.00 0.00 0.00 53 L H H 104.05 3.82 19.78 23.96 91.53 51.20 -66.04 -34.50 4.69 0.00 95.31 0.11 0.18 4.31 95.10 0.29 0.00 0.00 0.00 54 A H H 25.22 15.81 14.14 30.31 94.30 48.99 -84.68 -5.74 49.37 0.11 50.52 1.80 4.28 40.95 52.05 0.79 0.02 0.03 0.09 55 K C T 160.87 1.87 20.88 22.76 94.31 -124.20 58.97 37.51 99.13 0.07 0.80 6.24 8.09 84.93 0.54 0.16 0.00 0.03 0.02 56 T C C 22.50 19.76 13.63 32.88 125.08 131.93 -116.74 148.50 97.38 2.52 0.10 71.61 24.46 1.28 0.02 0.08 0.00 2.35 0.20 57 G C E 28.50 7.66 25.26 33.45 115.93 -114.35 -79.04 145.67 53.40 46.51 0.08 46.85 4.04 0.52 0.01 0.08 0.00 48.06 0.44 58 V E E 26.54 23.45 15.29 38.06 123.74 -156.88 -118.71 131.94 9.53 90.46 0.01 9.03 0.37 0.02 0.00 0.00 0.00 90.09 0.47 59 H E E 59.72 12.73 23.96 36.54 121.38 -165.59 -111.24 131.13 1.48 98.51 0.00 1.35 0.05 0.00 0.00 0.00 0.00 98.52 0.07 60 H E E 88.40 14.15 21.28 34.71 118.85 -150.67 -101.81 129.96 2.49 97.51 0.01 2.35 0.08 0.01 0.00 0.00 0.00 97.42 0.13 61 Y E E 43.91 18.77 15.16 33.49 125.40 -172.08 -121.17 140.73 25.65 74.28 0.07 24.40 0.91 0.10 0.02 0.04 0.00 73.83 0.70 62 S C C 77.88 4.42 20.89 25.99 106.50 -160.28 -104.71 44.28 71.28 28.54 0.18 45.38 22.63 2.25 0.03 0.17 0.00 28.98 0.56 63 G C S 27.95 8.99 18.73 28.37 138.56 77.02 -147.69 -174.80 91.88 7.71 0.41 19.43 68.71 3.85 0.09 0.30 0.00 6.81 0.82 64 N C C 77.69 6.26 22.86 29.09 123.25 -68.28 -100.74 154.28 95.89 2.35 1.77 85.21 9.50 1.19 1.48 0.37 0.00 1.18 1.07 65 N H H 38.28 20.98 14.68 34.65 93.05 -117.65 -61.97 -35.98 7.66 0.05 92.29 1.98 2.21 3.40 91.49 0.87 0.01 0.01 0.02 66 I H H 91.53 6.93 21.78 29.07 92.58 54.19 -64.82 -40.56 3.70 0.04 96.26 0.63 0.54 2.45 95.43 0.91 0.01 0.02 0.01 67 E H H 90.96 5.10 23.71 28.78 92.33 49.14 -66.18 -40.13 2.08 0.04 97.88 0.49 0.28 1.30 96.85 1.04 0.01 0.02 0.01 68 L H H 4.80 23.51 16.13 39.94 91.82 51.86 -63.48 -43.29 0.91 0.01 99.07 0.17 0.12 0.56 98.54 0.60 0.00 0.01 0.00 69 G H H 7.83 16.43 16.98 34.20 91.48 51.47 -62.55 -42.47 1.55 0.02 98.43 0.28 0.16 1.00 97.67 0.87 0.00 0.01 0.00 70 T H H 90.83 2.29 22.27 23.78 92.13 49.76 -65.68 -40.54 2.08 0.02 97.90 0.24 0.17 1.55 96.54 1.47 0.01 0.01 0.00 71 A H H 42.42 11.70 17.89 29.96 92.32 52.18 -66.75 -35.16 5.57 0.03 94.40 0.24 0.37 4.99 93.10 1.26 0.02 0.01 0.01 72 C C T 21.91 18.59 14.34 32.77 95.06 42.15 -89.11 -6.38 51.75 0.07 48.18 0.65 1.98 48.86 46.75 1.65 0.02 0.02 0.06 73 G C T 58.10 1.66 20.53 21.21 94.59 -114.82 78.46 15.37 99.30 0.03 0.67 3.59 4.77 91.13 0.28 0.19 0.00 0.01 0.02 74 K C C 67.99 12.40 10.95 24.05 129.35 117.06 -116.99 156.47 98.46 0.80 0.73 55.70 39.53 3.10 0.19 0.51 0.00 0.25 0.70 75 Y C S 175.38 2.41 17.89 20.85 96.49 -136.60 -81.43 -11.81 96.84 1.02 2.13 34.50 53.94 8.26 0.27 2.00 0.00 0.48 0.54 76 Y C S 91.37 9.24 18.98 29.06 131.99 54.03 -123.89 157.13 94.73 2.19 3.08 22.86 61.40 10.39 0.30 2.97 0.00 1.40 0.68 77 R C C 97.00 12.45 23.16 35.03 112.68 -93.05 -73.67 133.43 87.02 9.90 3.08 60.42 19.68 6.63 0.42 3.16 0.00 7.75 1.95 78 V C C 7.82 24.48 19.10 43.64 119.49 -154.44 -106.95 131.41 66.50 33.15 0.35 61.29 4.42 0.47 0.11 0.27 0.00 29.89 3.54 79 C C C 19.67 18.50 26.46 44.46 100.42 176.51 -94.73 -27.73 67.43 32.47 0.09 38.63 28.86 0.51 0.01 0.08 0.00 31.46 0.45 80 T E E 7.12 22.45 27.50 49.47 134.54 15.09 -143.04 143.23 7.98 91.94 0.09 6.70 1.09 0.10 0.02 0.04 0.00 91.82 0.23 81 L E E 2.67 26.50 26.70 52.65 125.44 -165.49 -125.71 135.00 1.05 98.94 0.01 0.96 0.06 0.00 0.00 0.00 0.00 98.91 0.05 82 A E E 7.37 21.56 28.46 49.11 119.80 -161.17 -111.30 128.84 0.65 99.35 0.00 0.58 0.03 0.00 0.00 0.00 0.00 99.37 0.02 83 I E E 7.85 23.67 21.86 45.49 112.78 -152.65 -98.28 120.46 2.66 97.33 0.01 2.65 0.05 0.00 0.00 0.00 0.00 97.09 0.19 84 I C E 54.50 13.77 22.97 36.49 99.40 -172.74 -90.94 -25.42 60.95 38.97 0.08 31.71 28.94 0.78 0.01 0.07 0.00 38.02 0.47 85 D C S 65.64 7.73 21.70 30.16 117.36 39.45 -125.07 112.96 91.24 8.32 0.44 20.76 66.77 3.14 0.11 0.25 0.00 8.33 0.63 86 P C T 61.66 14.60 14.57 29.09 95.58 -151.60 -65.07 -23.48 71.29 2.05 26.66 19.32 16.44 36.01 16.87 9.19 0.06 1.27 0.83 87 G C T 42.39 4.75 20.50 25.67 94.30 64.11 -63.65 -32.65 63.50 0.94 35.56 14.91 12.66 36.08 25.95 9.30 0.07 0.47 0.57 88 D H H 48.48 12.85 17.04 30.25 96.92 51.11 -88.35 -4.82 46.35 0.66 52.99 29.41 5.92 11.62 44.20 8.19 0.01 0.32 0.34 89 S H H 15.66 20.41 12.87 32.69 93.93 83.38 -63.91 -37.83 14.40 0.22 85.38 7.85 2.67 4.62 80.98 3.68 0.01 0.11 0.08 90 D H H 94.33 2.61 21.81 23.84 92.35 56.45 -65.03 -36.92 6.79 0.15 93.06 2.76 1.21 3.18 89.05 3.65 0.01 0.09 0.04 91 I H H 65.67 7.17 18.90 27.09 92.38 51.42 -65.38 -41.02 4.30 0.16 95.54 1.62 0.68 2.20 91.15 4.17 0.01 0.12 0.03 92 I H H 14.93 21.89 13.01 34.31 92.32 51.11 -65.76 -40.42 4.51 0.18 95.31 1.39 0.64 2.55 90.24 4.99 0.01 0.14 0.03 93 R H H 124.84 8.97 16.44 26.20 91.52 55.74 -67.08 -27.32 17.15 0.25 82.61 2.17 1.63 13.29 78.45 4.15 0.05 0.16 0.09 94 S C T 87.04 1.44 16.83 17.64 95.52 55.69 -87.18 -5.92 54.92 0.34 44.74 6.03 3.95 43.66 42.40 3.57 0.02 0.14 0.23 95 M C C 60.96 13.75 7.83 21.47 116.96 104.15 -78.40 142.01 99.70 0.20 0.11 86.14 13.11 0.47 0.07 0.02 0.00 0.07 0.13 96 P C C 100.15 2.62 16.07 19.33 110.44 -101.12 -66.27 143.02 99.98 0.01 0.00 99.90 0.06 0.02 0.00 0.00 0.00 0.00 0.00