# 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 91.83 8.88 11.72 21.69 117.64 -159.45 -97.09 137.57 99.89 0.09 0.02 99.79 0.10 0.05 0.01 0.00 0.00 0.03 0.02 1 D C C 93.99 3.88 11.42 16.80 109.53 -136.11 -86.61 120.50 90.53 1.62 7.85 86.54 1.29 3.85 4.44 2.10 0.00 0.68 1.10 2 G H G 46.08 5.89 9.69 17.01 96.66 -120.41 -63.70 -18.02 47.31 0.80 51.90 16.24 9.37 21.83 12.68 39.04 0.01 0.39 0.44 3 E H G 136.46 2.52 11.38 15.24 96.68 66.07 -73.47 -20.03 40.28 0.81 58.91 10.94 7.49 21.43 16.62 42.66 0.03 0.43 0.40 4 E H G 122.59 3.82 11.48 16.77 100.14 65.25 -82.85 -3.13 39.30 2.09 58.62 17.16 8.84 14.26 17.86 39.90 0.04 1.16 0.78 5 K C C 114.55 6.95 11.69 20.04 108.76 100.39 -87.06 108.29 67.28 6.26 26.47 44.66 12.54 10.02 15.49 11.16 0.03 3.60 2.49 6 T C C 80.09 6.45 13.58 21.38 114.77 159.44 -99.15 127.60 65.84 22.58 11.58 45.64 11.46 7.18 7.85 4.32 0.08 12.27 11.20 7 Y C C 104.52 10.64 12.09 23.33 113.48 -151.08 -103.61 120.08 70.54 20.31 9.15 44.67 14.81 10.71 4.93 4.32 0.04 13.44 7.07 8 G C T 45.44 6.10 14.91 21.97 110.99 -138.79 -26.52 45.91 81.29 6.57 12.14 29.92 19.52 32.86 2.56 9.26 0.01 4.02 1.85 9 G C T 47.43 5.78 14.97 21.85 108.45 12.35 83.48 1.51 81.38 3.87 14.74 23.61 23.56 34.57 2.12 12.56 0.01 2.06 1.50 10 C C C 64.12 10.83 11.06 22.32 107.79 66.33 -89.60 72.56 78.68 7.10 14.22 41.93 18.09 18.39 2.48 12.37 0.01 3.75 2.95 11 E C C 127.91 4.21 13.59 19.19 107.75 100.83 -95.96 70.77 84.22 7.14 8.65 42.42 26.81 15.04 1.80 7.04 0.01 3.51 3.36 12 G C S 33.82 5.08 13.69 20.21 128.67 17.27 137.70 168.84 93.41 3.78 2.82 32.67 53.41 7.20 0.63 2.10 0.00 1.72 2.27 13 P C T 109.53 2.97 12.58 16.80 95.45 -65.62 -68.73 -20.27 88.63 0.72 10.65 6.32 12.12 68.66 0.76 11.32 0.00 0.41 0.40 14 D C T 114.97 2.08 15.10 17.76 97.13 51.18 -89.10 1.10 89.08 0.97 9.95 7.92 11.34 68.56 0.82 10.35 0.00 0.62 0.39 15 A C C 28.96 13.27 11.97 26.26 117.62 107.04 -89.61 144.82 82.41 7.02 10.58 50.40 23.06 8.96 1.58 9.42 0.00 4.64 1.94 16 M C C 67.48 10.85 18.54 30.21 116.44 -136.34 -96.46 131.95 70.51 26.74 2.75 55.69 9.39 4.67 0.57 2.26 0.00 25.80 1.61 17 Y E E 67.78 14.26 19.97 34.21 125.21 -162.53 -115.57 141.93 19.50 80.40 0.10 16.56 2.68 0.23 0.02 0.08 0.00 79.79 0.64 18 V E E 8.52 21.98 18.24 40.77 123.81 -158.63 -117.66 136.00 1.42 98.58 0.00 1.34 0.04 0.00 0.00 0.00 0.00 98.59 0.03 19 K E E 66.97 10.80 25.41 36.73 118.45 -150.83 -105.59 128.80 0.19 99.81 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 20 L E E 5.30 24.42 17.68 42.73 122.42 -167.90 -114.90 134.10 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 21 I E E 45.70 9.38 24.08 34.68 117.22 -153.68 -108.75 126.38 0.35 99.65 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.60 0.06 22 S C C 8.48 18.94 13.80 33.43 125.09 -142.90 -84.49 170.72 77.50 22.48 0.02 77.95 0.34 0.04 0.00 0.01 0.00 21.02 0.64 23 S C T 68.74 7.89 15.62 24.86 90.01 -96.65 -63.00 -21.57 99.37 0.18 0.46 0.27 3.46 95.70 0.01 0.43 0.00 0.11 0.02 24 D C T 91.91 4.00 15.44 20.62 92.36 59.31 -87.45 1.14 99.51 0.05 0.44 0.18 3.33 96.03 0.01 0.42 0.00 0.03 0.01 25 G C S 44.81 4.27 15.80 21.31 96.97 -101.66 90.29 5.72 99.40 0.34 0.26 14.41 84.06 1.07 0.03 0.17 0.00 0.14 0.13 26 H C C 70.12 9.55 15.10 26.28 117.92 137.74 -78.48 142.02 96.35 3.63 0.02 95.87 1.06 0.05 0.01 0.01 0.00 2.41 0.59 27 E E E 88.76 11.30 18.62 30.45 121.50 -146.99 -111.97 133.82 0.91 99.09 0.00 0.92 0.02 0.00 0.00 0.00 0.00 98.84 0.22 28 F E E 21.65 19.89 18.40 38.28 129.54 -174.86 -128.77 145.01 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 29 I E E 53.21 11.93 24.96 37.23 116.62 -141.44 -104.80 125.80 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 30 V E E 4.62 24.60 17.19 42.39 126.61 -173.60 -124.29 139.41 0.31 99.69 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.01 31 K E E 73.58 8.35 24.85 33.65 112.17 -115.62 -72.97 136.21 7.80 92.20 0.01 7.98 0.09 0.00 0.00 0.00 0.00 91.73 0.19 32 R H H 71.60 18.25 15.60 33.17 91.57 -128.76 -57.81 -38.81 3.78 0.03 96.18 0.38 0.35 2.88 79.47 16.88 0.01 0.02 0.01 33 E H H 120.66 2.79 23.77 26.43 91.30 57.10 -63.26 -37.16 1.79 0.01 98.20 0.12 0.12 1.47 82.54 15.74 0.00 0.01 0.00 34 H H H 45.15 13.75 20.53 34.35 92.40 49.50 -67.73 -38.92 1.07 0.00 98.92 0.08 0.08 0.82 84.27 14.75 0.00 0.00 0.00 35 A H H 2.10 26.11 14.32 40.88 91.44 53.63 -65.85 -36.58 4.46 0.02 95.51 0.43 0.37 3.29 83.76 12.12 0.01 0.01 0.01 36 L C T 77.19 10.93 19.90 30.96 91.35 57.99 -73.18 -19.17 51.14 0.12 48.74 2.04 1.94 47.26 41.98 6.60 0.03 0.05 0.09 37 T C T 82.10 5.35 20.97 26.66 93.93 62.71 -81.36 -12.75 72.51 0.21 27.28 3.96 6.43 61.66 22.21 5.47 0.02 0.09 0.17 38 S C C 21.18 18.34 11.70 29.73 114.93 89.84 -88.63 129.98 97.57 1.09 1.34 54.16 42.53 0.71 1.16 0.19 0.00 0.18 1.06 39 G H H 48.34 3.12 20.11 23.86 93.98 -144.22 -62.17 -38.80 7.42 0.03 92.55 0.92 2.78 3.51 92.34 0.42 0.01 0.01 0.02 40 T H H 58.31 10.00 19.77 29.89 92.47 51.62 -66.30 -40.99 2.17 0.01 97.82 0.22 0.27 1.53 97.63 0.36 0.01 0.00 0.00 41 I H H 7.15 24.11 16.00 40.03 91.93 47.32 -65.02 -42.59 0.66 0.00 99.34 0.12 0.06 0.38 99.13 0.30 0.00 0.00 0.00 42 K H H 86.45 12.25 19.88 31.88 91.05 52.56 -61.27 -42.55 0.27 0.00 99.73 0.04 0.02 0.15 99.56 0.23 0.00 0.00 0.00 43 A H H 55.80 4.31 23.11 27.37 91.54 51.02 -64.29 -40.41 0.53 0.00 99.47 0.05 0.03 0.38 99.07 0.48 0.00 0.00 0.00 44 M H H 43.11 16.30 19.56 35.31 92.35 49.85 -67.29 -37.74 1.79 0.00 98.21 0.09 0.08 1.55 97.28 0.98 0.00 0.00 0.00 45 L H H 20.90 21.86 17.11 38.10 93.34 50.07 -72.41 -26.79 9.66 0.03 90.31 0.39 0.56 8.88 89.14 0.98 0.02 0.01 0.01 46 S H H 63.44 6.76 20.99 27.83 98.71 52.51 -87.92 -9.13 42.73 0.74 56.53 6.11 8.19 29.15 53.93 1.75 0.14 0.24 0.50 47 G C C 23.73 10.88 14.85 26.47 128.47 108.02 -71.68 175.37 94.49 2.15 3.36 54.98 32.59 6.88 1.18 2.07 0.00 0.87 1.43 48 P C T 93.75 5.05 15.40 21.43 105.64 -52.19 -68.23 126.91 82.34 1.85 15.81 23.54 19.04 40.24 2.66 12.62 0.00 0.91 0.99 49 G C T 47.14 5.19 14.72 21.21 109.18 24.84 86.45 -20.71 79.43 2.53 18.04 20.14 19.22 40.75 3.11 14.23 0.01 1.32 1.22 50 Q C C 114.04 5.32 15.85 22.25 105.39 43.78 -86.79 29.99 76.37 5.49 18.14 40.97 19.59 15.88 4.09 14.08 0.02 2.79 2.59 51 F C C 75.36 13.84 10.40 24.06 118.11 136.01 -100.58 133.13 77.64 9.76 12.60 49.96 16.68 10.42 5.01 7.64 0.03 4.75 5.51 52 A C C 58.06 5.52 14.34 21.11 114.88 -138.65 -87.81 148.37 80.85 5.82 13.34 56.90 12.53 10.86 4.74 8.78 0.01 3.11 3.08 53 E C T 135.03 4.06 12.36 18.11 100.99 -102.68 -67.33 -15.96 83.32 1.82 14.86 15.58 17.55 50.57 3.47 10.83 0.02 0.98 1.00 54 N C T 122.55 2.36 14.17 17.23 98.06 28.26 -69.08 18.83 86.46 1.23 12.30 19.75 17.21 49.76 2.33 9.67 0.00 0.66 0.61 55 E C C 82.91 10.31 11.00 22.22 114.30 122.83 -90.78 129.57 86.99 3.84 9.17 60.93 17.68 7.82 2.46 7.00 0.00 1.92 2.19 56 T C C 84.97 6.00 15.98 23.12 108.93 -155.92 -92.13 73.98 88.04 4.23 7.73 44.22 23.50 20.99 1.76 5.64 0.00 2.61 1.27 57 N C C 67.38 12.56 16.51 28.88 100.29 48.44 -96.21 19.79 82.30 11.87 5.84 38.13 24.12 20.78 1.10 4.67 0.00 10.01 1.19 58 E C E 65.51 13.22 19.07 32.58 122.85 115.67 -105.72 139.50 50.21 48.16 1.63 41.61 6.86 1.32 0.84 1.01 0.00 44.66 3.69 59 V E E 14.15 21.07 17.38 38.70 120.47 -157.84 -114.60 128.15 25.37 73.98 0.66 23.14 1.60 0.26 0.45 0.31 0.00 69.68 4.57 60 N E E 66.24 9.00 24.77 34.20 111.39 -140.27 -91.13 120.71 25.58 73.49 0.93 23.86 1.12 0.32 0.63 0.46 0.00 69.05 4.56 61 F C C 12.22 23.88 13.60 37.83 100.85 177.21 -99.84 9.94 74.33 10.42 15.24 65.33 4.01 4.56 1.50 14.61 0.00 8.69 1.29 62 R C T 128.35 7.72 19.10 27.93 93.87 114.13 -63.64 -27.51 82.11 2.70 15.19 8.32 13.31 58.75 0.55 16.55 0.00 1.94 0.57 63 E C T 128.76 3.67 21.07 25.22 95.18 49.56 -87.65 1.38 82.23 2.08 15.70 6.23 13.68 60.48 0.59 17.12 0.00 1.45 0.45 64 I C S 12.08 23.93 9.98 33.35 117.26 99.13 -90.90 133.26 98.37 1.46 0.18 23.06 75.43 0.24 0.07 0.05 0.00 0.50 0.64 65 P C C 56.10 5.46 22.10 28.26 114.77 -107.30 -64.54 145.54 98.62 1.24 0.15 98.66 0.29 0.04 0.09 0.01 0.00 0.40 0.51 66 S H H 47.60 14.15 15.44 29.84 91.55 -115.15 -58.39 -37.22 1.67 0.00 98.32 0.18 0.19 1.16 98.06 0.40 0.00 0.00 0.00 67 H H H 107.94 5.27 22.60 28.44 91.37 56.07 -64.70 -37.64 0.59 0.00 99.41 0.03 0.03 0.48 99.09 0.36 0.00 0.00 0.00 68 V H H 15.91 17.90 20.60 38.44 92.53 49.39 -65.57 -42.75 0.14 0.00 99.86 0.01 0.01 0.10 99.65 0.23 0.00 0.00 0.00 69 L H H 6.34 24.57 19.83 44.33 91.24 50.69 -62.77 -42.71 0.05 0.00 99.95 0.00 0.00 0.03 99.93 0.03 0.00 0.00 0.00 70 S H H 36.63 11.60 24.36 35.94 91.48 51.77 -63.03 -41.35 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 71 K H H 65.35 11.70 25.75 37.49 91.88 50.28 -65.09 -41.50 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 72 V H H 1.99 25.86 22.62 48.35 91.37 49.35 -63.77 -43.69 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 73 C H H 9.10 21.20 23.41 43.96 91.09 51.03 -62.92 -42.48 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 74 M H H 69.11 9.17 26.36 36.09 91.53 51.10 -63.64 -42.13 0.09 0.00 99.91 0.00 0.00 0.07 99.90 0.03 0.00 0.00 0.00 75 Y H H 23.59 17.62 22.80 40.31 91.29 50.69 -63.45 -43.21 0.14 0.00 99.86 0.00 0.00 0.12 99.78 0.09 0.00 0.00 0.00 76 F H H 11.04 22.28 20.90 42.75 91.81 49.50 -64.65 -41.54 0.55 0.00 99.44 0.02 0.02 0.47 99.16 0.32 0.00 0.00 0.00 77 T H H 39.36 13.08 21.72 34.72 92.23 50.61 -66.21 -39.08 4.15 0.01 95.84 0.19 0.20 3.68 95.06 0.85 0.00 0.00 0.00 78 Y H H 72.69 10.97 19.80 31.32 93.41 51.38 -69.85 -34.24 17.32 0.11 82.57 2.17 1.84 13.34 80.28 2.22 0.05 0.04 0.07 79 K H H 68.72 13.80 17.58 31.14 93.64 59.74 -67.22 -31.80 29.92 0.78 69.30 9.09 4.18 17.29 59.56 8.99 0.12 0.41 0.38 80 V H H 51.12 12.93 16.48 29.53 95.30 57.67 -73.43 -28.21 42.54 1.92 55.53 13.02 7.95 22.13 43.25 11.54 0.22 1.02 0.87 81 R C H 127.56 6.16 17.72 24.49 98.39 54.82 -86.88 -8.41 51.90 4.18 43.92 22.39 8.58 22.02 32.96 9.82 0.18 2.17 1.87 82 Y C C 87.20 12.11 11.40 23.96 107.10 85.36 -88.03 90.00 76.65 4.83 18.52 55.80 10.11 9.50 16.03 3.63 0.01 2.30 2.62 83 T C C 84.13 5.45 13.20 20.02 106.34 65.77 -94.60 9.89 83.62 2.81 13.57 45.82 14.01 24.14 9.28 3.96 0.01 1.42 1.37 84 N C C 113.06 3.56 12.65 17.60 102.83 36.22 -89.89 18.32 88.56 1.75 9.69 34.52 24.43 30.43 4.53 4.36 0.00 0.79 0.94 85 S C C 56.99 6.95 10.56 19.03 114.13 108.55 -100.02 122.17 90.60 1.92 7.48 53.29 20.67 16.68 2.75 4.49 0.00 0.86 1.25 86 S C C 76.31 5.23 11.77 18.45 99.80 -153.19 -81.08 -6.89 92.07 1.24 6.70 39.57 30.35 22.31 1.66 4.88 0.00 0.57 0.67 87 T C S 95.26 3.82 13.37 18.37 101.35 61.32 -90.35 -7.20 91.98 2.14 5.89 36.46 37.05 18.66 1.22 4.57 0.00 1.12 0.92 88 E C C 116.51 4.34 15.84 21.44 118.83 68.83 -104.18 137.12 90.03 5.99 3.98 57.80 27.00 4.95 1.16 2.99 0.00 2.80 3.30 89 I C C 52.30 17.22 10.97 27.63 114.77 -128.21 -90.67 129.39 96.89 2.65 0.46 88.62 7.91 0.44 0.20 0.21 0.00 1.44 1.17 90 P C C 45.30 10.04 15.23 26.94 116.01 -115.48 -67.47 151.87 98.39 1.03 0.58 95.71 1.90 0.99 0.15 0.32 0.00 0.61 0.33 91 E C C 140.16 3.26 18.51 23.19 113.14 -106.21 -77.58 134.92 96.60 2.90 0.51 89.57 5.52 1.13 0.13 0.41 0.00 1.11 2.12 92 F C C 39.59 19.88 10.19 29.15 118.60 -150.47 -101.29 135.08 98.28 1.60 0.12 92.69 5.45 0.25 0.05 0.05 0.00 0.70 0.81 93 P C C 98.23 2.82 21.87 24.28 103.36 -126.70 -76.43 77.66 99.14 0.76 0.10 87.55 10.93 0.75 0.03 0.06 0.00 0.37 0.32 94 I C C 34.88 19.73 9.71 28.30 124.18 111.79 -111.88 142.98 98.56 1.31 0.13 82.92 15.13 0.25 0.07 0.04 0.00 0.32 1.28 95 A C C 53.95 4.17 18.66 23.32 115.25 -104.39 -67.22 146.66 99.70 0.10 0.21 99.12 0.57 0.08 0.14 0.01 0.00 0.02 0.05 96 P H H 81.20 8.37 13.32 22.92 91.64 -113.65 -57.51 -37.94 5.92 0.01 94.07 0.90 0.52 4.12 90.73 3.72 0.00 0.00 0.00 97 E H H 123.19 2.59 19.18 21.91 91.66 55.03 -64.20 -37.89 3.63 0.01 96.36 0.43 0.23 2.74 92.43 4.16 0.00 0.00 0.00 98 I H H 32.22 14.50 16.79 31.81 92.44 49.56 -67.28 -40.70 1.44 0.01 98.55 0.19 0.10 1.01 94.34 4.35 0.00 0.00 0.00 99 A H H 13.61 18.47 16.28 35.09 91.34 52.93 -62.36 -42.95 0.26 0.00 99.74 0.05 0.02 0.13 99.56 0.24 0.00 0.00 0.00 100 L H H 80.12 5.23 22.95 28.04 91.34 51.07 -63.86 -41.35 0.07 0.00 99.93 0.01 0.00 0.04 99.89 0.06 0.00 0.00 0.00 101 E H H 73.34 9.00 22.36 31.78 91.57 50.85 -64.17 -41.83 0.03 0.00 99.97 0.00 0.00 0.02 99.94 0.04 0.00 0.00 0.00 102 L H H 9.97 22.94 18.64 41.23 91.65 50.36 -64.08 -42.58 0.03 0.00 99.97 0.00 0.00 0.02 99.95 0.03 0.00 0.00 0.00 103 L H H 56.60 12.54 22.41 34.56 91.32 50.52 -63.00 -42.08 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 104 M H H 89.35 3.96 24.84 28.41 91.59 49.70 -63.98 -41.68 0.19 0.00 99.81 0.01 0.00 0.15 99.77 0.06 0.00 0.00 0.00 105 A H H 11.17 14.85 18.67 34.85 91.61 50.90 -63.91 -42.42 0.41 0.00 99.58 0.04 0.02 0.30 99.44 0.20 0.00 0.00 0.00 106 A H H 12.84 18.24 15.82 34.49 91.41 51.73 -62.86 -41.82 1.06 0.00 98.94 0.13 0.07 0.76 97.94 1.10 0.00 0.00 0.00 107 N H H 97.15 4.24 19.52 24.04 92.06 50.04 -65.08 -39.30 3.96 0.00 96.03 0.30 0.20 3.33 93.60 2.56 0.00 0.00 0.00 108 F H H 122.10 4.68 17.42 22.96 92.33 50.91 -68.04 -31.61 10.68 0.02 89.31 0.63 0.59 9.40 87.41 1.95 0.01 0.01 0.01 109 L H H 51.75 13.58 12.40 26.42 95.67 48.47 -89.87 -0.27 48.23 0.45 51.31 4.17 5.31 38.05 49.66 2.27 0.08 0.17 0.31 110 D C T 116.13 2.31 18.18 21.09 95.29 -121.98 55.90 44.09 93.45 0.37 6.19 30.19 1.62 61.46 5.71 0.65 0.00 0.15 0.21 111 C C C 36.89 18.05 11.99 28.89 105.00 165.73 -87.69 33.84 99.92 0.07 0.01 99.86 0.07 0.03 0.00 0.00 0.00 0.03 0.01