# 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 132.07 3.00 11.01 15.67 115.41 -155.39 -95.00 130.07 99.67 0.30 0.03 99.64 0.11 0.04 0.01 0.00 0.00 0.16 0.03 1 V C C 97.32 5.30 7.46 14.48 117.56 -156.07 -100.38 133.27 81.58 11.31 7.11 78.71 1.32 2.34 4.17 1.98 0.00 8.89 2.58 2 Q C C 132.62 2.33 9.53 13.64 117.12 -154.76 -102.88 133.64 71.10 18.96 9.95 56.77 8.77 4.88 5.15 4.74 0.01 17.03 2.65 3 R C C 159.03 3.62 9.14 14.74 118.49 -145.17 -103.75 133.86 64.99 23.20 11.81 52.19 7.69 4.49 6.20 5.66 0.02 20.42 3.33 4 L C C 98.00 6.74 8.52 16.82 115.48 -138.35 -94.35 131.37 67.96 21.45 10.60 55.89 7.37 3.98 5.71 4.91 0.01 19.06 3.08 5 T C C 89.24 4.15 11.57 17.32 116.29 -165.38 -108.71 131.80 70.97 19.78 9.26 51.62 12.90 6.16 4.93 4.40 0.02 17.01 2.97 6 Y C C 143.95 5.28 10.21 17.15 115.92 -154.16 -103.62 130.44 74.25 18.27 7.48 50.47 17.53 6.32 3.89 3.68 0.03 14.59 3.48 7 R C C 138.35 5.30 10.47 17.51 119.01 -155.89 -105.09 136.43 82.87 12.69 4.44 66.76 12.00 3.63 2.41 2.09 0.00 10.43 2.68 8 K C C 137.33 3.91 11.39 17.08 113.91 -132.78 -86.49 136.65 85.22 10.26 4.52 70.95 10.06 3.83 2.44 2.12 0.00 7.51 3.08 9 R C C 141.93 5.49 10.26 17.41 114.88 -134.44 -89.99 138.37 85.20 7.61 7.19 65.83 13.58 5.44 4.00 3.34 0.00 4.67 3.14 10 H C C 124.14 5.07 10.80 17.35 109.84 -129.41 -87.15 119.21 79.65 4.17 16.18 53.32 13.82 12.26 6.04 10.39 0.00 2.51 1.66 11 S C C 73.39 4.53 11.59 17.52 106.39 72.65 -88.20 28.01 75.55 3.47 20.99 38.13 18.14 19.81 6.87 13.72 0.01 1.82 1.50 12 Y C C 133.38 6.52 11.36 19.12 105.32 62.33 -91.17 40.93 73.14 4.89 21.97 36.68 18.28 19.02 7.77 13.41 0.04 2.47 2.32 13 A C C 60.59 7.80 11.34 20.37 106.35 106.30 -85.97 86.77 79.62 4.04 16.35 49.84 18.58 11.33 7.31 8.91 0.01 2.16 1.87 14 T C C 66.08 7.13 12.16 20.79 119.20 101.24 -105.88 150.82 80.02 5.69 14.29 50.43 19.97 9.69 6.84 7.35 0.01 2.86 2.85 15 K C C 145.25 3.95 13.94 19.34 99.97 -123.34 -74.28 -12.24 68.34 4.05 27.61 29.68 19.73 20.89 6.40 19.46 0.03 2.14 1.67 16 S C T 61.65 6.66 13.65 21.46 105.29 72.89 -85.00 24.69 67.46 4.68 27.86 23.66 17.90 27.87 4.54 21.75 0.02 2.92 1.34 17 N C C 77.07 9.91 13.66 24.25 106.25 56.01 -90.90 59.46 65.10 11.32 23.58 32.15 17.32 17.67 3.06 19.45 0.02 8.89 1.45 18 Q C C 75.35 9.18 15.51 25.78 115.80 150.57 -95.61 136.64 55.76 38.69 5.56 41.55 9.76 4.55 0.97 4.38 0.00 37.44 1.33 19 T E E 64.26 10.90 14.24 25.94 122.85 -155.93 -112.22 136.82 15.11 84.74 0.16 13.57 1.23 0.19 0.05 0.09 0.00 84.44 0.42 20 R E E 95.11 8.48 15.97 25.89 126.91 -172.91 -126.66 142.04 1.95 98.04 0.01 1.80 0.10 0.01 0.00 0.01 0.00 98.02 0.06 21 V E E 77.60 7.52 15.12 24.16 116.25 -133.04 -97.64 127.04 0.84 99.15 0.00 0.82 0.02 0.00 0.00 0.00 0.00 99.13 0.02 22 V E E 44.46 10.50 12.65 24.98 125.31 -172.17 -120.11 141.65 1.06 98.94 0.00 0.99 0.04 0.00 0.00 0.00 0.00 98.94 0.02 23 K E E 136.39 3.16 13.98 18.63 114.62 -130.42 -92.77 126.14 5.30 94.69 0.01 4.96 0.27 0.02 0.00 0.01 0.00 94.25 0.49 24 T C C 40.97 10.17 7.66 18.98 122.38 -149.82 -89.35 161.30 94.57 5.38 0.05 94.05 0.80 0.10 0.01 0.02 0.00 4.66 0.35 25 P C T 116.37 1.57 10.62 13.12 100.33 -94.73 -62.79 5.70 95.49 0.76 3.75 1.17 5.79 87.92 0.08 4.35 0.00 0.53 0.16 26 G C T 63.47 0.70 10.61 10.81 95.74 39.72 -76.56 -0.22 95.44 0.19 4.37 0.62 4.83 89.24 0.09 5.05 0.00 0.11 0.06 27 G C S 53.33 2.29 10.40 14.09 98.45 -98.49 88.88 3.66 95.37 0.88 3.75 14.19 72.18 9.02 0.24 3.51 0.00 0.50 0.36 28 K C C 119.00 2.87 11.14 15.73 118.00 132.61 -84.23 144.43 90.53 9.36 0.11 86.36 3.73 0.36 0.02 0.08 0.00 8.59 0.86 29 L E E 92.71 6.94 10.85 19.61 115.91 -127.39 -93.04 132.13 2.55 97.45 0.00 2.40 0.10 0.01 0.00 0.00 0.00 97.28 0.21 30 V E E 54.14 8.24 13.47 23.85 123.79 -170.49 -119.90 139.41 0.41 99.59 0.00 0.38 0.02 0.00 0.00 0.00 0.00 99.59 0.01 31 Y E E 105.03 9.77 13.74 24.83 120.01 -145.48 -106.56 131.77 0.34 99.66 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.66 0.01 32 Q E E 69.26 8.77 15.74 26.09 124.37 -169.96 -119.94 137.49 1.09 98.90 0.00 1.00 0.04 0.00 0.00 0.00 0.00 98.92 0.03 33 Y E E 103.48 10.38 13.89 25.40 122.33 -157.12 -111.49 137.45 7.54 92.44 0.02 7.11 0.31 0.03 0.00 0.01 0.00 92.13 0.40 34 T E E 47.28 9.53 13.66 24.88 125.22 -168.45 -118.44 144.33 46.59 53.26 0.15 41.92 3.26 0.33 0.04 0.11 0.00 53.06 1.27 35 K C C 139.76 4.28 14.27 20.33 108.96 -133.57 -89.96 108.35 73.91 25.90 0.19 62.69 9.67 0.64 0.05 0.16 0.00 25.24 1.54 36 K C C 109.26 6.50 13.33 21.33 121.45 102.45 -102.34 145.75 85.62 14.17 0.21 79.98 5.18 0.53 0.06 0.16 0.00 11.97 2.12 37 R C C 156.18 4.17 15.59 21.51 114.28 -112.49 -80.31 137.44 84.52 15.24 0.23 81.89 2.73 0.43 0.08 0.15 0.00 10.30 4.43 38 A C C 32.90 16.21 9.53 25.13 117.01 -118.25 -76.13 147.75 88.54 11.22 0.23 83.60 4.54 0.81 0.06 0.20 0.00 7.48 3.32 39 S C C 83.00 2.88 18.61 21.90 111.40 -155.40 -101.92 101.32 83.20 16.60 0.20 67.24 15.54 0.73 0.07 0.17 0.00 7.92 8.32 40 G C C 25.26 9.85 17.04 27.49 134.07 -41.40 109.29 175.01 90.22 9.69 0.10 55.98 34.59 0.70 0.01 0.10 0.00 7.11 1.51 41 P C C 43.68 13.94 16.11 30.40 113.31 -72.52 -70.63 144.57 91.39 8.51 0.10 73.40 17.12 0.83 0.01 0.12 0.00 7.92 0.59 42 K E B 103.41 7.03 21.22 29.09 128.41 -157.64 -121.35 144.79 5.83 94.13 0.04 4.30 0.28 0.01 0.05 0.00 0.00 12.47 82.90 43 C C C 10.31 19.93 11.87 32.61 109.91 -110.71 -70.32 129.11 90.39 9.57 0.03 91.66 0.53 0.07 0.01 0.01 0.00 6.19 1.53 44 P C T 70.48 6.95 18.29 26.74 92.11 -143.69 -67.65 -24.49 99.82 0.05 0.13 0.27 3.23 96.36 0.01 0.09 0.00 0.03 0.01 45 V C T 71.72 9.40 16.04 26.00 99.84 43.54 -83.57 -40.79 99.81 0.05 0.14 0.06 2.04 97.78 0.00 0.08 0.00 0.02 0.01 46 T C T 66.84 5.62 14.68 21.73 101.81 19.92 -105.96 -15.46 99.80 0.05 0.15 0.24 2.76 96.85 0.01 0.10 0.00 0.02 0.01 47 G C C 48.52 4.70 13.79 20.24 95.31 -125.08 78.97 6.31 99.33 0.50 0.16 75.71 16.86 6.75 0.04 0.13 0.00 0.26 0.26 48 K C C 111.32 3.68 16.22 21.33 120.07 136.03 -82.19 148.44 94.30 5.62 0.09 79.39 14.92 0.43 0.02 0.07 0.00 3.94 1.23 49 K E B 126.09 5.68 17.48 24.58 114.31 -103.49 -69.38 141.38 4.92 95.02 0.06 3.75 0.22 0.01 0.07 0.01 0.00 18.17 77.77 50 I C C 18.21 22.19 9.98 31.50 113.30 -130.32 -90.75 125.23 84.15 15.34 0.51 82.43 1.71 0.51 0.09 0.41 0.00 13.01 1.85 51 Q C C 127.61 3.13 20.80 24.56 114.21 -151.90 -86.61 131.42 92.22 6.61 1.17 45.42 23.30 23.75 0.16 1.24 0.00 4.75 1.37 52 G C C 37.61 8.02 18.80 27.13 106.86 20.50 89.80 -6.12 92.37 6.53 1.10 34.36 33.83 24.60 0.13 1.27 0.00 4.05 1.75 53 I C C 29.71 19.75 12.34 31.56 113.72 94.70 -102.64 112.83 88.30 10.96 0.74 76.82 10.12 1.04 0.15 0.80 0.00 6.95 4.13 54 P C C 63.37 8.38 19.24 28.30 109.76 -129.84 -69.42 145.34 85.88 7.67 6.45 35.70 17.95 31.44 0.31 7.78 0.00 5.49 1.31 55 H C T 107.36 9.24 17.98 27.51 111.14 -99.75 -94.00 122.83 84.87 8.91 6.22 30.16 17.86 36.78 0.41 6.74 0.00 6.06 1.98 56 L C C 36.81 17.28 12.19 29.18 119.13 -159.42 -104.29 135.95 84.01 14.32 1.66 67.71 13.59 1.22 0.67 1.03 0.00 5.28 10.49 57 R C C 111.95 4.87 19.88 24.98 118.06 -130.39 -85.49 146.90 99.01 0.74 0.25 95.06 3.89 0.15 0.19 0.04 0.00 0.29 0.38 58 P H H 60.83 11.05 12.74 24.83 92.94 -111.60 -57.61 -37.69 16.63 0.12 83.25 1.72 1.54 11.46 56.44 28.69 0.03 0.07 0.05 59 T H H 81.20 2.71 16.66 19.63 92.11 54.93 -65.73 -35.93 13.30 0.12 86.58 1.28 1.12 9.17 58.47 29.82 0.03 0.07 0.04 60 E H H 74.15 6.96 14.73 23.19 92.91 51.95 -68.19 -36.97 9.69 0.22 90.09 1.86 1.33 5.55 61.89 29.14 0.03 0.15 0.05 61 Y H H 53.01 15.01 11.18 26.08 93.93 52.68 -68.66 -37.00 24.47 1.01 74.51 9.87 5.33 10.52 59.21 14.00 0.10 0.52 0.45 62 K H H 122.63 4.67 15.13 20.94 94.68 54.68 -69.61 -32.40 47.79 1.60 50.61 16.04 10.03 23.68 41.31 7.13 0.16 0.74 0.90 63 R C H 151.33 2.94 13.91 17.59 98.47 51.75 -79.97 -18.64 56.12 1.43 42.44 13.89 13.41 30.15 30.69 10.18 0.17 0.60 0.92 64 S C T 65.75 6.69 12.03 19.84 100.91 62.72 -80.61 -2.62 68.29 1.22 30.48 17.32 15.67 36.07 18.31 11.25 0.06 0.53 0.81 65 R C T 156.65 3.88 14.35 19.26 100.19 79.17 -85.66 1.80 76.71 2.24 21.05 29.94 16.47 31.73 9.52 10.00 0.02 1.01 1.30 66 L C C 47.62 14.08 8.83 22.85 117.19 101.59 -89.43 137.06 93.32 2.36 4.31 54.91 35.57 2.81 2.86 1.29 0.00 0.80 1.75 67 S C C 57.44 3.24 16.35 19.91 115.82 -120.21 -75.16 152.59 94.14 2.41 3.45 89.52 3.09 1.74 1.77 1.20 0.00 0.98 1.70 68 R H G 148.14 7.21 11.10 19.84 92.88 -113.88 -61.66 -30.88 45.80 0.72 53.47 6.22 7.35 32.32 6.70 46.59 0.02 0.40 0.40 69 N H G 121.40 1.97 14.39 16.88 93.58 61.82 -75.72 -12.13 46.95 0.52 52.53 4.59 6.80 34.80 5.96 47.25 0.02 0.28 0.30 70 R H G 135.46 5.48 14.47 21.05 98.91 56.92 -92.71 3.31 44.05 1.77 54.18 16.92 12.09 16.87 6.34 46.08 0.02 0.93 0.75 71 R C C 82.95 14.23 12.10 26.19 114.12 96.84 -86.85 128.97 82.90 5.44 11.66 59.33 18.26 4.81 6.60 5.00 0.01 2.22 3.76 72 T C C 65.03 7.69 18.37 26.83 123.56 145.66 -115.73 148.44 81.88 12.07 6.06 63.94 12.89 3.24 3.64 2.55 0.02 5.05 8.67 73 V C C 48.32 16.16 12.84 28.51 107.29 -133.85 -85.62 100.82 84.76 9.61 5.63 59.90 16.26 8.25 2.37 3.22 0.01 4.56 5.42 74 N C C 112.17 3.84 17.37 22.04 99.55 123.29 -97.16 6.67 89.65 6.70 3.65 60.03 21.15 8.15 1.22 2.48 0.00 3.23 3.73 75 R C S 98.49 7.83 13.12 22.59 124.38 97.04 -97.00 153.15 85.69 6.14 8.17 27.64 47.34 10.14 2.57 5.02 0.03 2.09 5.18 76 P C T 95.63 4.93 15.10 21.20 93.65 -103.89 -62.49 -28.03 87.18 0.43 12.39 2.29 9.24 75.49 1.33 11.12 0.00 0.23 0.29 77 Y C T 130.90 6.99 14.13 22.23 98.02 43.80 -93.03 5.54 86.84 0.82 12.33 2.89 9.12 74.54 1.43 11.11 0.00 0.48 0.42 78 G C C 29.39 11.61 13.80 25.74 109.50 127.18 -24.48 126.82 82.29 6.81 10.90 41.37 21.13 19.92 2.39 8.28 0.01 2.92 3.98 79 G C C 36.39 8.61 16.93 26.00 116.34 41.97 97.82 -163.64 86.31 8.56 5.13 42.15 27.38 17.37 1.53 3.46 0.01 4.61 3.49 80 V C C 82.03 8.49 18.18 27.08 108.37 -23.27 -92.48 93.46 76.12 18.97 4.91 37.56 28.36 11.30 1.99 2.85 0.03 11.15 6.75 81 L C C 63.22 13.54 15.73 29.23 108.75 80.64 -89.67 86.74 68.29 27.51 4.20 40.32 22.62 5.36 2.48 1.75 0.03 12.31 15.13 82 S C C 42.86 8.73 19.71 28.83 122.01 -97.17 -104.71 155.02 91.32 6.11 2.58 80.48 9.16 1.62 2.14 0.65 0.00 3.00 2.94 83 G H H 28.30 12.83 16.16 28.99 94.72 -110.34 -59.91 -40.32 8.27 0.04 91.69 1.73 2.42 4.04 90.91 0.85 0.01 0.01 0.02 84 P H H 77.10 4.30 21.74 26.01 92.72 52.32 -65.79 -39.60 3.49 0.02 96.49 0.57 0.46 2.34 95.77 0.84 0.01 0.01 0.01 85 A H H 26.14 8.54 19.01 29.22 92.07 51.02 -64.72 -41.69 1.28 0.01 98.71 0.41 0.15 0.67 98.06 0.70 0.00 0.01 0.00 86 V H H 18.95 16.92 17.13 34.49 92.00 50.26 -64.34 -43.06 0.53 0.00 99.46 0.20 0.06 0.23 99.34 0.16 0.00 0.00 0.00 87 R H H 97.70 10.15 20.75 30.72 91.73 51.24 -62.88 -42.20 0.32 0.00 99.68 0.08 0.02 0.17 99.68 0.05 0.00 0.00 0.00 88 E H H 96.45 4.39 22.17 26.58 91.84 50.07 -64.97 -41.46 0.23 0.00 99.77 0.06 0.02 0.11 99.78 0.03 0.00 0.00 0.00 89 R H H 89.12 9.61 20.39 30.30 92.17 49.77 -65.29 -40.98 0.17 0.00 99.83 0.05 0.01 0.09 99.83 0.02 0.00 0.00 0.00 90 I H H 38.84 15.03 18.74 33.79 92.15 49.15 -64.98 -42.80 0.13 0.00 99.87 0.03 0.01 0.07 99.88 0.02 0.00 0.00 0.00 91 I H H 64.52 9.03 20.33 29.57 91.76 49.31 -64.13 -42.50 0.16 0.00 99.83 0.03 0.01 0.09 99.85 0.02 0.00 0.00 0.00 92 R H H 121.27 3.96 21.68 25.71 91.88 49.80 -64.81 -41.50 0.21 0.00 99.79 0.03 0.01 0.13 99.81 0.03 0.00 0.00 0.00 93 A H H 28.57 9.15 18.66 29.19 91.78 50.76 -64.40 -41.70 0.20 0.00 99.80 0.01 0.01 0.13 99.81 0.03 0.00 0.00 0.00 94 F H H 61.20 11.35 18.64 30.42 92.06 49.52 -65.12 -41.80 0.26 0.00 99.74 0.02 0.01 0.18 99.74 0.05 0.00 0.00 0.00 95 L H H 73.87 6.28 19.34 26.03 91.81 50.08 -64.66 -41.63 0.53 0.00 99.47 0.04 0.02 0.37 99.49 0.06 0.00 0.00 0.00 96 V H H 69.78 3.85 19.81 23.82 92.00 49.44 -64.68 -42.24 0.60 0.00 99.40 0.08 0.04 0.37 99.45 0.06 0.00 0.00 0.00 97 E H H 74.88 7.34 18.38 26.33 91.72 49.61 -64.82 -41.12 0.44 0.00 99.56 0.06 0.03 0.25 99.61 0.05 0.00 0.00 0.00 98 E H H 71.09 9.03 17.12 26.77 91.98 50.51 -64.94 -40.19 0.39 0.00 99.61 0.04 0.02 0.24 99.65 0.05 0.00 0.00 0.00 99 Q H H 92.11 3.93 18.49 22.62 91.89 51.15 -64.75 -40.34 0.31 0.00 99.69 0.03 0.02 0.18 99.74 0.03 0.00 0.00 0.00 100 K H H 106.68 2.90 19.00 21.59 91.97 50.78 -65.27 -41.03 0.44 0.00 99.56 0.06 0.02 0.25 99.63 0.04 0.00 0.00 0.00 101 I H H 62.60 6.82 16.74 24.59 92.10 49.44 -64.74 -42.19 0.40 0.00 99.60 0.06 0.02 0.22 99.64 0.04 0.00 0.00 0.00 102 V H H 64.11 5.87 16.48 23.12 91.88 49.89 -64.24 -42.00 0.35 0.00 99.65 0.06 0.02 0.19 99.69 0.04 0.00 0.00 0.00 103 K H H 114.95 2.19 18.23 19.89 91.82 50.13 -64.32 -41.20 0.36 0.00 99.63 0.05 0.02 0.20 99.68 0.05 0.00 0.00 0.00 104 K H H 108.53 3.03 17.65 20.77 91.91 49.63 -65.11 -41.02 0.49 0.00 99.51 0.06 0.03 0.30 99.55 0.06 0.00 0.00 0.00 105 V H H 61.15 5.86 15.70 22.45 91.91 49.96 -64.73 -42.00 0.52 0.00 99.48 0.07 0.03 0.31 99.51 0.08 0.00 0.00 0.00 106 L H H 81.87 3.21 16.49 20.08 91.77 50.15 -64.16 -41.16 0.59 0.00 99.41 0.11 0.04 0.31 99.44 0.09 0.00 0.00 0.00 107 K H H 115.01 2.04 17.05 18.68 91.93 50.37 -64.92 -40.85 1.02 0.00 98.97 0.19 0.07 0.58 99.01 0.14 0.00 0.00 0.00 108 I H H 78.36 3.63 15.28 19.78 91.93 49.83 -64.87 -41.40 1.15 0.01 98.84 0.28 0.11 0.59 98.84 0.17 0.00 0.00 0.00 109 Q H H 92.99 3.15 15.52 19.04 91.83 50.76 -64.53 -41.00 1.23 0.01 98.76 0.34 0.12 0.61 98.75 0.18 0.00 0.00 0.00 110 K H H 115.47 1.83 15.57 17.10 92.04 50.27 -65.09 -40.58 1.90 0.02 98.09 0.52 0.19 0.99 98.01 0.28 0.00 0.01 0.00 111 T H H 70.83 2.22 14.32 16.92 91.86 50.31 -64.88 -40.63 2.50 0.02 97.48 0.69 0.27 1.33 97.29 0.40 0.00 0.01 0.00 112 K H H 117.46 2.27 13.84 16.42 92.14 50.40 -65.35 -39.89 3.80 0.03 96.16 1.06 0.48 2.06 95.80 0.57 0.00 0.02 0.01 113 E H H 110.81 1.80 12.99 15.05 92.31 50.52 -65.62 -39.48 6.47 0.06 93.47 2.03 0.87 3.37 92.86 0.81 0.01 0.03 0.02 114 K H H 129.80 1.47 12.15 13.77 92.82 51.23 -66.97 -37.88 12.37 0.14 87.49 4.37 1.79 6.07 86.33 1.31 0.01 0.06 0.05 115 T H H 92.11 1.77 10.68 13.14 94.27 51.47 -70.40 -32.24 22.16 0.26 77.59 7.74 3.23 11.15 75.77 1.86 0.02 0.12 0.11 116 T H H 100.97 1.63 9.41 11.83 96.70 54.93 -75.57 -22.91 39.75 0.58 59.68 16.01 6.91 17.68 56.73 2.12 0.03 0.22 0.30 117 K C C 157.69 1.16 9.00 10.83 99.85 61.19 -81.44 -7.95 66.98 0.55 32.47 42.95 2.00 20.01 32.89 1.62 0.00 0.23 0.29 118 S C C 83.38 2.30 9.81 13.56 106.84 95.85 -82.48 84.51 99.89 0.03 0.08 99.66 0.11 0.15 0.05 0.00 0.00 0.02 0.01