# 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 58.42 13.91 18.21 32.00 121.04 -160.19 -106.67 135.41 99.70 0.30 0.00 99.68 0.09 0.01 0.00 0.00 0.00 0.21 0.01 1 V E E 48.75 11.78 19.81 32.37 118.27 -148.40 -104.41 130.39 36.88 63.11 0.01 36.13 0.39 0.03 0.00 0.01 0.00 62.99 0.46 2 I E E 9.46 22.55 16.74 39.73 119.43 -160.79 -110.57 130.37 3.72 96.28 0.00 3.54 0.11 0.00 0.00 0.00 0.00 96.29 0.06 3 R E E 75.95 10.97 26.04 37.29 116.33 -151.80 -102.09 125.17 0.50 99.50 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.51 0.01 4 V E E 3.62 25.31 19.62 45.56 120.19 -167.19 -115.41 128.68 0.30 99.70 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.00 5 F E E 33.58 15.21 26.87 42.22 116.70 -158.89 -103.55 127.67 0.48 99.52 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 6 I E E 9.85 23.76 20.15 43.44 130.53 -175.48 -127.63 144.78 4.94 95.04 0.02 4.82 0.14 0.01 0.01 0.00 0.00 94.84 0.18 7 A E E 25.41 15.17 22.11 37.10 119.02 -141.52 -99.09 140.02 43.12 56.61 0.27 36.93 4.59 0.52 0.07 0.18 0.00 57.09 0.62 8 S C C 35.07 14.82 17.55 32.22 120.79 -149.16 -106.07 142.46 77.54 20.47 1.99 52.27 19.14 5.88 0.43 1.54 0.00 19.43 1.30 9 S C C 63.51 8.58 16.96 26.19 104.54 -157.39 -95.95 13.01 88.58 6.55 4.87 50.82 25.06 13.33 1.44 3.31 0.00 4.28 1.74 10 S C C 62.80 7.80 14.87 23.51 104.36 86.74 -86.36 15.46 83.12 3.05 13.82 33.13 29.22 21.85 6.83 6.01 0.02 1.39 1.56 11 G C S 48.67 4.91 15.52 21.48 101.27 -104.32 75.34 0.14 75.66 1.65 22.69 27.63 28.72 19.78 16.95 5.28 0.03 0.67 0.95 12 F C H 93.47 9.44 12.92 23.40 111.24 112.10 -89.79 119.02 53.39 1.56 45.05 35.96 10.32 7.51 41.47 3.38 0.01 0.65 0.70 13 V H H 89.73 4.47 15.69 21.17 95.32 -149.29 -67.11 -35.55 14.71 0.40 84.89 7.85 3.37 4.58 81.66 2.18 0.02 0.21 0.14 14 A H H 51.92 5.25 17.63 23.82 93.43 56.26 -66.04 -39.41 8.78 0.39 90.83 4.39 1.67 3.51 87.89 2.16 0.02 0.25 0.11 15 I H H 31.28 15.70 14.78 30.68 93.20 51.07 -66.34 -40.36 6.27 0.34 93.39 3.27 1.10 2.51 90.87 1.93 0.02 0.24 0.08 16 K H H 89.85 9.94 17.75 28.12 92.37 52.68 -63.79 -41.36 5.33 0.16 94.50 2.59 0.87 2.19 92.86 1.35 0.01 0.09 0.04 17 K H H 121.24 2.29 21.45 22.78 92.44 49.82 -65.28 -40.71 6.16 0.12 93.73 2.41 0.92 2.99 92.37 1.20 0.01 0.06 0.04 18 K H H 75.55 10.55 19.53 30.37 92.67 48.91 -66.89 -39.24 8.11 0.10 91.78 2.96 1.08 4.20 90.69 0.96 0.01 0.04 0.04 19 Q H H 30.65 19.40 16.78 35.42 91.95 53.04 -63.83 -41.26 4.37 0.03 95.59 1.87 0.51 1.84 95.31 0.44 0.00 0.01 0.01 20 Q H H 91.62 5.19 21.97 27.47 91.64 51.63 -63.79 -41.04 0.66 0.00 99.34 0.19 0.06 0.31 99.34 0.10 0.00 0.00 0.00 21 D H H 69.80 4.33 22.90 27.08 91.75 50.25 -64.97 -41.26 0.40 0.00 99.60 0.08 0.03 0.23 99.59 0.07 0.00 0.00 0.00 22 V H H 11.58 20.11 18.83 39.01 92.09 49.67 -64.61 -43.43 0.30 0.00 99.70 0.05 0.02 0.18 99.71 0.04 0.00 0.00 0.00 23 V H H 26.22 16.39 19.16 35.50 91.55 50.43 -63.08 -42.29 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 24 R H H 133.47 2.20 23.58 24.46 91.49 50.80 -63.78 -42.14 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 25 F H H 59.12 9.24 19.68 30.04 91.87 49.69 -64.41 -42.75 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 26 L H H 10.22 20.73 13.83 34.79 91.95 49.72 -64.28 -42.20 0.24 0.00 99.76 0.02 0.01 0.15 99.75 0.07 0.00 0.00 0.00 27 E H H 106.98 5.74 16.91 23.88 91.83 50.50 -64.10 -39.80 0.92 0.00 99.08 0.05 0.03 0.73 99.00 0.19 0.00 0.00 0.00 28 A H H 77.16 2.04 16.30 18.50 90.82 54.95 -65.66 -29.43 7.54 0.01 92.46 0.20 0.23 7.16 92.07 0.33 0.00 0.00 0.00 29 N C T 70.09 8.99 13.16 23.56 95.34 47.09 -94.70 6.20 86.30 0.04 13.67 0.68 2.01 81.92 14.83 0.52 0.00 0.01 0.03 30 K C T 164.95 1.46 18.31 19.45 93.87 -119.90 59.54 38.59 99.61 0.03 0.36 2.86 1.50 95.40 0.16 0.05 0.00 0.02 0.01 31 I C C 26.88 19.48 9.52 28.30 118.73 158.51 -97.73 134.47 91.78 8.20 0.03 90.10 1.50 0.09 0.00 0.01 0.00 8.05 0.25 32 E E E 125.30 2.76 23.20 25.66 112.70 -129.56 -86.36 127.60 45.58 54.36 0.05 44.04 0.72 0.11 0.01 0.03 0.00 54.79 0.31 33 F E E 42.66 22.44 10.43 31.31 134.01 173.72 -136.40 155.10 17.12 82.85 0.03 16.76 0.34 0.02 0.00 0.01 0.00 82.67 0.20 34 E E E 98.93 5.25 23.22 28.94 123.10 -147.49 -116.39 138.46 1.58 98.41 0.01 1.46 0.05 0.00 0.00 0.00 0.00 98.45 0.02 35 E E E 91.62 14.44 17.41 31.33 117.17 -134.62 -92.59 131.81 0.64 99.36 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.38 0.02 36 V E E 28.49 15.47 17.38 33.59 124.75 -172.37 -126.37 134.07 2.82 97.17 0.01 2.72 0.07 0.00 0.00 0.00 0.00 97.14 0.06 37 D E E 60.69 9.29 21.98 31.80 109.33 -131.73 -87.75 115.89 11.05 88.91 0.03 10.96 0.22 0.03 0.01 0.02 0.00 88.33 0.43 38 I C T 21.15 21.59 14.19 35.81 95.13 -162.30 -80.39 -10.73 93.81 4.34 1.85 20.05 14.93 58.56 0.19 1.85 0.00 4.01 0.39 39 T C T 71.72 8.04 19.21 28.01 94.32 67.25 -86.76 -2.81 96.64 1.88 1.47 11.94 25.37 59.21 0.13 1.61 0.00 1.41 0.32 40 M C S 63.85 11.87 11.63 24.37 121.60 100.31 -84.24 153.37 97.88 1.10 1.02 34.05 61.56 2.44 0.25 0.59 0.00 0.47 0.64 41 S C C 58.66 3.46 16.24 20.08 119.54 -92.73 -75.73 161.99 99.04 0.27 0.70 93.74 4.92 0.38 0.55 0.09 0.00 0.07 0.24 42 E H H 131.00 3.87 12.88 18.57 92.26 -102.74 -59.67 -38.30 3.17 0.01 96.83 0.54 0.54 1.86 96.21 0.85 0.00 0.00 0.00 43 E H H 128.20 1.59 16.55 17.68 91.76 52.21 -64.45 -40.39 1.79 0.01 98.21 0.28 0.17 1.17 97.41 0.96 0.00 0.00 0.00 44 Q H H 53.86 10.73 14.71 26.63 92.38 48.85 -66.25 -39.65 0.66 0.00 99.33 0.15 0.06 0.36 98.54 0.89 0.00 0.00 0.00 45 R H H 60.75 15.01 14.50 29.55 91.73 52.60 -63.04 -41.48 0.42 0.00 99.58 0.08 0.03 0.22 99.33 0.33 0.00 0.00 0.00 46 Q H H 89.61 3.52 20.35 23.83 91.64 50.64 -64.23 -40.75 0.69 0.00 99.31 0.08 0.03 0.48 99.09 0.33 0.00 0.00 0.00 47 W H H 90.34 5.91 19.91 26.83 91.71 50.61 -63.89 -42.18 1.13 0.00 98.87 0.09 0.05 0.87 98.31 0.68 0.00 0.00 0.00 48 M H H 14.34 19.94 15.86 35.96 91.96 50.35 -64.23 -41.85 1.63 0.01 98.36 0.20 0.10 1.15 96.81 1.73 0.00 0.00 0.00 49 Y H H 73.38 14.51 17.22 31.50 91.87 51.51 -66.73 -34.25 3.70 0.02 96.29 0.34 0.22 2.92 92.06 4.44 0.01 0.01 0.00 50 K H H 142.76 2.05 21.04 22.58 92.35 52.89 -70.53 -27.12 18.02 0.03 81.95 0.51 0.67 16.99 78.55 3.23 0.02 0.01 0.02 51 N H H 74.98 8.76 17.53 26.99 98.45 45.14 -97.99 -7.22 46.42 0.08 53.50 1.94 2.70 40.93 51.15 3.16 0.02 0.03 0.07 52 I C S 22.82 20.51 9.29 29.02 115.97 98.10 -85.93 130.58 99.51 0.25 0.24 16.18 83.08 0.28 0.19 0.03 0.00 0.04 0.21 53 P C C 44.90 6.11 15.26 23.66 113.72 -110.08 -63.84 144.97 99.55 0.11 0.34 98.10 1.16 0.40 0.11 0.12 0.00 0.03 0.07 54 P H G 104.02 4.27 12.03 18.43 91.99 -124.25 -59.86 -30.61 49.40 0.29 50.31 6.13 5.07 34.17 2.22 52.14 0.00 0.16 0.12 55 E H G 155.41 0.93 14.23 14.48 92.58 59.20 -74.76 -16.47 49.20 0.32 50.48 3.33 4.85 37.53 2.20 51.79 0.00 0.18 0.12 56 K H G 100.60 8.05 11.69 20.91 102.90 59.12 -96.76 14.44 44.79 1.20 54.01 14.46 12.95 16.99 2.45 52.06 0.00 0.61 0.48 57 K C C 104.09 9.10 12.71 22.90 114.15 151.37 -83.44 125.40 96.11 1.30 2.60 55.46 39.40 1.20 1.41 1.04 0.00 0.32 1.17 58 P C C 43.36 13.02 9.66 23.25 114.18 -116.87 -66.31 153.18 78.07 1.81 20.12 59.58 5.37 11.83 3.69 17.64 0.00 0.96 0.94 59 A C T 95.03 1.45 13.85 15.68 93.63 -113.89 -67.79 -25.14 71.54 1.83 26.63 17.10 15.08 39.34 2.90 23.65 0.00 0.84 1.08 60 Q C T 129.14 2.24 14.02 16.84 107.13 44.46 -100.56 31.79 73.44 1.31 25.25 10.23 17.94 44.48 2.26 23.64 0.01 0.66 0.79 61 G C S 38.71 6.95 13.86 22.01 119.01 -83.54 88.02 -168.26 92.33 1.34 6.33 31.68 39.72 20.13 0.63 6.44 0.00 0.62 0.78 62 N C C 74.99 9.49 16.87 27.10 113.06 -54.68 -99.81 117.53 94.02 5.72 0.26 66.80 26.37 1.13 0.07 0.22 0.00 2.66 2.77 63 P C C 45.29 15.35 17.52 32.71 114.69 -128.01 -70.80 144.87 89.40 10.35 0.25 77.66 10.52 0.98 0.08 0.19 0.00 4.10 6.47 64 L C C 47.97 15.52 21.46 36.66 123.15 -134.64 -102.61 144.60 90.66 9.23 0.12 79.38 11.14 0.31 0.05 0.08 0.00 3.48 5.57 65 P C C 28.54 17.66 23.27 40.26 118.45 -95.24 -69.79 152.86 97.68 2.17 0.15 49.42 42.24 6.14 0.01 0.22 0.00 1.55 0.42 66 P C C 9.52 22.90 21.49 44.18 114.76 -41.14 -69.20 145.15 97.09 2.76 0.15 66.30 23.46 7.20 0.01 0.22 0.00 2.59 0.22 67 Q E E 28.49 17.95 26.94 44.00 130.28 -167.76 -126.47 146.18 18.57 81.40 0.04 17.58 0.88 0.06 0.01 0.03 0.00 80.64 0.80 68 I E E 3.73 25.01 22.67 48.11 118.29 -147.67 -107.67 127.94 0.67 99.33 0.00 0.65 0.03 0.00 0.00 0.00 0.00 99.28 0.04 69 F E E 26.73 16.54 22.86 39.59 126.56 -169.67 -119.89 141.79 0.30 99.70 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.64 0.05 70 N E E 39.28 15.98 18.24 33.90 112.52 -173.38 -124.33 102.69 6.39 93.58 0.03 4.64 1.02 0.25 0.00 0.03 0.00 93.88 0.18 71 G C T 40.94 6.44 18.41 25.78 108.65 -52.31 62.16 -126.77 99.85 0.08 0.07 0.21 4.97 94.68 0.00 0.08 0.00 0.05 0.01 72 D C T 118.53 2.72 17.01 20.65 97.29 -21.65 -96.65 3.73 99.90 0.04 0.06 0.23 5.35 94.33 0.00 0.06 0.00 0.02 0.00 73 R E E 124.03 5.12 19.21 25.96 123.01 92.35 -105.87 139.26 4.35 95.64 0.01 2.84 1.40 0.07 0.00 0.00 0.00 95.28 0.41 74 Y E E 75.92 17.26 17.34 33.97 113.28 -126.99 -83.20 127.75 0.78 99.22 0.00 0.68 0.05 0.00 0.00 0.00 0.00 99.20 0.07 75 C E E 12.72 19.04 18.81 38.25 102.21 -175.60 -103.54 -7.82 5.60 94.39 0.01 5.19 0.20 0.01 0.00 0.00 0.00 94.44 0.15 76 G E E 13.89 11.55 23.11 35.36 132.17 -119.90 113.02 -166.80 45.65 54.31 0.04 31.38 14.28 0.42 0.01 0.04 0.00 53.23 0.65 77 D C S 51.84 8.32 25.18 33.88 123.95 -39.11 -82.52 160.50 95.62 3.45 0.93 33.25 62.45 0.65 0.92 0.11 0.00 1.31 1.30 78 Y H H 48.59 20.21 15.48 35.15 90.95 -100.98 -60.21 -38.87 3.39 0.01 96.60 0.32 0.64 2.38 96.25 0.40 0.01 0.00 0.00 79 D H H 98.45 2.66 23.44 25.87 91.26 53.06 -63.89 -40.47 2.30 0.01 97.69 0.19 0.21 1.90 97.02 0.66 0.01 0.00 0.00 80 S H H 34.96 8.56 20.58 30.17 92.03 48.09 -66.24 -40.48 1.50 0.02 98.48 0.25 0.17 1.07 97.51 0.98 0.01 0.01 0.00 81 F H H 7.45 23.95 15.12 39.14 91.92 51.68 -63.66 -43.61 1.08 0.02 98.90 0.25 0.14 0.63 98.57 0.39 0.00 0.01 0.00 82 F H H 68.61 9.86 21.09 31.59 91.68 49.77 -64.30 -41.82 1.58 0.04 98.38 0.42 0.20 0.90 98.24 0.21 0.01 0.02 0.01 83 E H H 101.26 2.46 22.82 23.99 91.92 49.68 -64.63 -41.17 1.97 0.04 97.98 0.44 0.27 1.20 97.82 0.23 0.01 0.02 0.01 84 S H H 12.87 14.53 14.59 30.48 92.08 51.50 -65.04 -40.73 3.32 0.07 96.61 0.99 0.53 1.80 96.17 0.44 0.01 0.03 0.02 85 K H H 78.25 13.99 15.00 28.63 92.55 51.69 -64.87 -40.17 3.69 0.06 96.26 0.92 0.41 2.28 95.54 0.80 0.01 0.03 0.02 86 E H H 142.50 1.61 17.24 18.63 92.45 51.11 -67.14 -33.94 7.41 0.04 92.56 0.50 0.51 6.23 92.12 0.59 0.02 0.01 0.02 87 S C T 69.72 3.06 15.64 19.12 96.67 42.02 -92.19 -0.56 61.59 0.09 38.33 1.15 3.10 55.50 39.15 0.99 0.02 0.03 0.07 88 N C T 94.00 9.17 14.82 25.00 94.41 -120.19 62.66 28.61 97.18 0.11 2.71 7.27 5.38 84.39 2.44 0.42 0.00 0.06 0.05 89 T C C 46.25 8.58 19.40 29.28 98.90 127.48 -90.32 -14.06 69.98 1.95 28.08 61.31 5.35 2.52 27.70 1.26 0.00 0.60 1.26 90 V H H 6.70 24.06 16.57 40.47 92.41 84.09 -63.00 -43.17 7.83 0.46 91.71 2.23 1.54 4.63 85.04 6.02 0.09 0.32 0.12 91 F H H 44.73 16.69 19.43 35.59 91.89 51.96 -63.03 -41.51 4.55 0.41 95.04 1.11 0.64 2.94 85.50 9.35 0.06 0.35 0.06 92 S H H 57.17 4.72 23.01 27.86 91.81 52.10 -64.56 -40.74 3.37 0.17 96.46 0.61 0.37 2.30 86.39 10.14 0.03 0.15 0.02 93 F H H 47.51 16.72 19.12 35.34 91.80 51.44 -67.28 -34.65 8.49 0.16 91.34 0.57 0.67 7.19 82.60 8.68 0.13 0.10 0.06 94 L C T 13.14 22.19 16.17 38.41 93.99 47.12 -88.02 -4.37 57.75 0.31 41.94 1.23 2.91 52.96 37.05 5.34 0.12 0.14 0.25 95 G C T 45.77 4.52 23.31 28.14 96.34 -110.02 80.06 17.32 97.29 0.13 2.58 6.09 2.87 88.47 2.08 0.37 0.00 0.07 0.05 96 L C C 26.74 20.03 11.10 30.31 111.47 143.18 -88.91 124.89 93.00 1.84 5.15 83.55 7.34 2.10 3.72 1.18 0.00 0.74 1.37 97 K C C 130.17 4.20 19.41 24.39 109.97 -149.73 -88.50 114.12 78.96 2.17 18.87 62.85 9.55 6.48 12.83 6.12 0.00 1.13 1.04 98 S C C 53.47 10.98 14.44 25.69 105.65 -115.23 -77.79 114.87 64.64 3.03 32.34 40.31 12.64 11.76 20.23 12.12 0.02 1.70 1.21 99 Q C C 100.34 6.82 16.57 24.13 105.58 59.81 -83.21 36.19 60.92 3.04 36.05 39.74 10.18 11.00 23.48 12.66 0.02 1.71 1.20 100 L C C 68.49 11.77 13.45 25.58 100.61 65.18 -73.39 -22.18 53.42 3.13 43.45 31.77 10.32 11.78 28.23 14.89 0.04 1.76 1.22 101 A C C 58.39 7.76 13.91 22.71 100.63 59.28 -75.07 -11.31 56.57 2.92 40.51 30.31 11.21 15.77 25.66 14.19 0.05 1.61 1.20 102 S C C 67.21 6.06 12.58 19.93 103.33 68.35 -84.77 16.41 61.63 4.58 33.79 32.94 13.06 16.44 20.01 13.12 0.06 2.65 1.72 103 K C C 131.41 4.48 11.60 17.73 106.54 107.89 -88.27 73.09 70.76 7.30 21.94 39.05 18.24 14.07 13.44 8.23 0.06 4.24 2.66 104 A C C 69.07 5.44 9.54 16.74 113.60 101.27 -87.94 133.66 82.73 7.34 9.93 52.92 20.51 9.17 5.50 4.37 0.01 3.64 3.88 105 E C C 134.73 3.08 10.48 15.53 115.26 -116.46 -89.62 131.56 99.22 0.71 0.07 97.19 2.03 0.17 0.03 0.02 0.00 0.37 0.19 106 P C C 94.60 4.58 12.24 18.57 111.36 -101.43 -66.41 145.84 99.97 0.03 0.01 99.86 0.08 0.03 0.00 0.00 0.00 0.01 0.00