# 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 P C C 85.21 5.30 12.81 19.51 112.94 -117.55 -71.74 145.17 99.93 0.04 0.03 99.81 0.10 0.05 0.02 0.00 0.00 0.01 0.01 1 K C C 135.31 4.32 10.52 16.61 113.79 -114.91 -88.16 133.64 84.28 7.27 8.45 80.28 1.78 2.59 6.23 1.68 0.00 3.39 4.05 2 K C C 133.49 3.88 10.41 16.08 112.82 -129.06 -81.93 136.65 73.07 10.14 16.78 55.51 10.72 5.93 11.97 5.47 0.02 5.92 4.46 3 R C C 145.74 5.33 10.76 17.56 102.40 -117.65 -78.72 -17.47 64.71 10.29 24.99 45.18 10.74 8.55 15.39 9.76 0.04 6.36 3.97 4 A C C 65.49 5.90 12.24 19.46 103.54 60.78 -81.52 4.91 62.12 8.71 29.17 34.86 13.89 13.96 15.86 12.67 0.12 5.40 3.24 5 S C C 57.49 8.10 12.06 21.31 104.44 55.61 -92.64 58.69 66.86 7.57 25.58 30.99 16.27 20.81 11.92 12.37 0.14 4.10 3.40 6 N C T 94.27 6.03 14.51 21.57 99.56 72.70 -83.88 14.21 79.77 3.87 16.36 24.83 21.62 34.40 6.36 8.83 0.04 1.91 2.01 7 G C T 35.54 9.28 12.73 22.68 102.25 -103.55 76.30 3.09 85.30 3.34 11.37 24.94 27.24 34.06 2.74 7.76 0.01 1.74 1.49 8 R C C 135.34 5.19 15.41 21.57 104.43 115.30 -87.26 11.21 73.57 14.17 12.26 37.21 23.38 13.10 4.58 7.00 0.08 5.78 8.87 9 N C C 61.70 9.92 10.49 21.46 111.33 79.54 -90.42 119.93 80.45 10.12 9.42 56.32 13.22 10.04 3.26 6.34 0.01 5.31 5.50 10 K C T 146.33 3.45 13.02 18.00 97.56 -158.60 -76.60 -17.21 76.15 6.80 17.05 25.29 22.96 28.94 3.31 12.71 0.05 3.46 3.29 11 K C T 149.92 2.04 13.05 15.76 100.74 52.38 -90.37 23.50 80.55 4.06 15.38 8.91 22.59 48.54 1.99 13.55 0.03 2.35 2.03 12 G C T 45.60 5.36 12.15 18.86 103.09 -81.12 82.65 9.81 86.39 2.37 11.24 16.75 27.95 40.88 1.03 10.98 0.00 1.23 1.17 13 R C T 139.12 5.00 13.34 19.64 103.09 112.39 -91.21 36.91 84.36 6.43 9.20 27.66 23.90 32.77 1.21 8.10 0.01 3.00 3.35 14 G C T 38.04 8.26 14.01 23.00 103.16 -75.42 79.73 -2.86 86.34 7.39 6.27 28.39 27.93 30.19 0.76 5.77 0.01 3.81 3.14 15 H C C 104.82 7.45 15.86 24.17 105.91 100.44 -88.43 74.48 83.65 12.84 3.51 47.82 26.32 9.34 0.75 3.00 0.01 5.20 7.56 16 V C C 52.86 13.15 13.20 26.83 119.68 115.42 -98.50 138.93 84.96 14.40 0.64 63.06 20.17 1.63 0.22 0.44 0.00 5.75 8.72 17 K C C 121.71 5.07 20.11 25.98 118.21 -127.29 -90.50 138.51 92.86 7.09 0.05 79.89 12.90 0.28 0.01 0.05 0.00 5.88 0.98 18 P C C 55.02 13.29 16.69 30.09 115.99 -103.37 -68.75 148.59 83.72 16.22 0.06 78.44 4.60 0.24 0.01 0.06 0.00 15.69 0.97 19 V E E 26.41 16.58 16.77 33.93 123.46 -154.82 -114.76 138.88 9.86 90.12 0.02 8.88 0.63 0.03 0.01 0.01 0.00 86.76 3.67 20 R E E 114.91 7.68 21.56 29.76 116.93 -133.15 -95.21 132.11 6.78 93.20 0.02 6.55 0.23 0.01 0.02 0.01 0.00 84.15 9.04 21 C C C 13.01 19.57 11.87 31.95 111.57 -119.74 -74.32 132.24 69.52 30.34 0.14 68.93 1.16 0.20 0.03 0.11 0.00 27.20 2.38 22 V C T 82.23 7.15 18.40 26.48 93.94 -143.23 -68.77 -25.34 98.10 0.94 0.95 2.14 21.17 74.64 0.03 1.10 0.00 0.75 0.16 23 N C T 96.57 5.64 17.37 23.47 100.33 39.23 -92.08 -21.06 98.43 0.49 1.08 1.06 20.98 76.33 0.04 1.17 0.00 0.31 0.11 24 C C S 49.39 9.35 13.83 24.20 118.50 21.84 -123.94 158.80 96.66 1.83 1.52 15.88 56.37 24.04 0.10 1.84 0.00 1.04 0.73 25 S C S 74.03 6.08 16.10 23.28 95.73 -128.53 -69.52 4.87 97.84 1.90 0.26 43.22 44.76 9.94 0.03 0.32 0.00 1.28 0.44 26 K C C 98.58 6.21 18.94 26.35 120.31 117.17 -85.33 147.45 80.82 19.05 0.13 60.86 19.29 0.85 0.03 0.13 0.00 17.38 1.46 27 S E E 42.10 14.47 16.66 31.04 118.87 -130.11 -97.76 138.30 12.39 87.52 0.09 10.90 1.29 0.12 0.05 0.04 0.00 71.86 15.75 28 I E E 22.31 15.90 16.10 33.14 129.35 -172.20 -129.93 145.23 15.44 84.54 0.02 14.32 0.95 0.03 0.01 0.01 0.00 80.42 4.26 29 P E E 50.74 5.93 20.84 27.72 113.38 -99.68 -64.28 143.88 38.63 61.31 0.07 38.45 0.82 0.05 0.03 0.03 0.00 58.02 2.60 30 K H G 84.43 15.18 12.28 27.20 91.08 -117.56 -57.53 -36.12 31.16 0.67 68.17 3.18 3.96 23.21 22.03 46.88 0.07 0.45 0.22 31 D H G 116.93 1.59 18.78 20.01 91.01 61.27 -69.01 -18.60 28.71 0.74 70.56 2.33 3.30 21.88 26.66 44.94 0.12 0.47 0.29 32 K H G 111.87 5.97 17.51 24.37 96.72 53.75 -93.47 -5.16 23.37 1.69 74.94 5.40 4.28 13.86 29.97 44.84 0.08 1.15 0.43 33 A C C 18.07 20.27 10.91 30.09 114.06 92.60 -82.61 137.67 49.16 16.74 34.10 32.09 10.80 7.04 26.86 7.01 0.13 13.13 2.93 34 I E E 68.16 10.89 15.69 27.32 118.66 -126.39 -102.81 132.44 35.94 47.68 16.38 26.98 5.89 2.89 15.17 2.30 0.05 43.51 3.21 35 K E E 126.23 6.22 15.90 23.48 115.62 -148.85 -95.28 132.65 27.48 57.26 15.27 21.64 2.56 1.86 13.70 1.73 0.01 57.42 1.08 36 R E E 131.29 6.72 14.07 22.26 123.71 -164.20 -120.82 139.22 21.31 60.62 18.07 15.67 2.40 1.78 16.40 1.89 0.02 61.05 0.79 37 M E E 101.93 7.73 12.04 21.31 121.99 -162.33 -115.66 136.04 20.32 62.43 17.25 15.72 1.73 1.41 15.84 1.66 0.01 62.76 0.87 38 A E E 61.47 6.45 12.52 20.67 121.36 -161.88 -113.20 138.42 24.96 57.80 17.24 19.25 2.34 1.65 15.95 1.76 0.01 58.01 1.03 39 I E E 99.82 6.21 11.58 19.55 115.63 -145.51 -98.98 130.27 32.28 46.30 21.41 25.32 2.81 2.06 20.01 2.09 0.01 46.29 1.40 40 R C C 139.55 4.99 11.81 18.45 114.07 -153.76 -91.88 132.49 48.79 24.00 27.21 34.43 7.63 4.11 25.94 2.60 0.03 23.93 1.32 41 N C C 94.70 4.79 11.63 17.78 107.55 -129.49 -83.78 95.75 58.18 10.94 30.88 44.59 6.99 4.70 30.41 2.44 0.01 9.64 1.22 42 I H H 108.67 3.65 12.51 17.26 97.88 98.24 -71.30 -34.74 20.94 2.88 76.17 14.94 3.33 3.60 73.68 1.86 0.01 2.22 0.35 43 V H H 89.01 3.27 13.96 17.79 96.03 53.13 -70.26 -39.63 9.86 1.33 88.80 6.40 1.60 2.64 86.34 1.71 0.03 1.11 0.17 44 E H H 94.52 5.18 14.48 20.75 94.81 51.86 -67.94 -39.14 6.72 0.73 92.55 4.34 1.01 2.04 90.22 1.66 0.02 0.60 0.11 45 A H H 48.25 5.03 14.39 20.94 93.62 52.32 -65.64 -40.51 4.06 0.31 95.63 2.19 0.56 1.54 94.16 1.22 0.01 0.24 0.06 46 A H H 52.91 3.38 16.20 20.26 92.62 51.40 -65.16 -40.38 3.88 0.31 95.81 1.66 0.50 1.77 94.47 1.26 0.01 0.24 0.07 47 A H H 48.90 4.72 15.37 21.34 92.76 51.31 -65.76 -40.08 5.59 0.43 93.99 2.21 0.64 2.76 92.66 1.29 0.02 0.32 0.09 48 V H H 68.67 5.69 14.92 21.91 93.06 50.35 -66.25 -40.50 5.94 0.56 93.50 2.64 0.82 2.62 92.25 1.13 0.02 0.41 0.11 49 R H H 131.06 3.17 16.23 20.00 92.78 52.64 -65.10 -40.23 8.36 0.73 90.90 4.02 1.15 3.44 89.40 1.28 0.02 0.53 0.15 50 D H H 80.74 2.93 15.81 19.16 93.08 50.30 -66.69 -38.59 11.23 0.63 88.13 5.47 1.36 4.80 86.19 1.57 0.02 0.43 0.16 51 L H H 78.01 6.17 13.12 20.71 93.11 52.72 -66.34 -38.64 7.90 0.36 91.73 3.32 1.18 3.86 88.14 3.12 0.03 0.23 0.11 52 S H H 64.33 4.72 13.67 19.71 93.02 53.67 -67.39 -34.96 11.50 0.37 88.13 3.15 1.46 7.01 84.54 3.42 0.06 0.22 0.13 53 E H H 138.11 1.67 14.67 16.36 93.77 51.83 -74.30 -23.80 22.35 0.34 77.31 3.43 2.76 16.36 74.06 2.98 0.09 0.16 0.16 54 A H H 62.83 5.34 11.28 18.03 100.56 61.80 -81.42 -5.22 48.66 1.10 50.24 11.37 10.04 28.22 46.58 2.64 0.12 0.44 0.60 55 S C C 63.87 6.26 10.15 18.00 111.00 124.04 -88.85 115.42 82.10 6.59 11.31 45.23 16.39 20.85 7.95 3.19 0.03 3.12 3.23 56 V C S 103.06 3.65 11.80 16.75 100.11 -166.00 -83.87 -17.25 87.05 8.29 4.65 37.18 38.97 11.60 2.50 2.00 0.02 4.08 3.66 57 Y C C 110.79 6.04 9.10 16.93 112.60 57.88 -108.97 105.34 90.81 6.79 2.40 57.19 30.84 2.89 1.28 1.11 0.00 2.81 3.89 58 P C G 101.28 3.15 11.03 15.88 96.23 -161.03 -66.68 -24.70 50.76 1.46 47.79 11.02 8.36 30.94 7.85 40.36 0.02 0.88 0.58 59 E H G 147.92 1.47 12.28 14.02 97.40 59.58 -80.09 -13.53 48.66 1.70 49.63 6.59 7.96 33.20 9.45 40.96 0.05 1.07 0.73 60 Y H G 120.32 6.83 9.86 17.97 107.85 49.21 -102.57 55.28 43.51 7.36 49.13 17.91 10.95 17.96 9.59 36.61 0.11 4.81 2.06 61 A C C 59.40 6.55 12.10 20.17 109.49 138.53 -86.47 126.97 68.17 13.37 18.46 40.39 20.75 7.21 12.54 5.93 0.13 6.56 6.48 62 L C C 76.68 9.19 11.00 21.39 116.60 -125.22 -91.54 136.11 69.27 8.59 22.14 38.38 24.23 7.31 15.72 6.22 0.09 4.97 3.08 63 P C C 67.07 7.04 12.90 21.53 111.37 -107.77 -67.50 146.41 69.13 4.11 26.76 51.25 7.51 9.89 15.77 11.52 0.01 2.87 1.18 64 K C C 138.74 4.54 13.48 19.64 97.00 -123.13 -68.85 -23.86 55.91 6.39 37.70 23.09 14.60 18.96 19.39 17.90 0.18 4.12 1.75 65 T C C 78.82 6.08 13.96 21.11 100.48 63.85 -87.04 -10.39 49.16 16.64 34.20 20.64 12.63 17.00 18.50 15.26 0.45 12.84 2.67 66 Y C C 95.63 11.46 13.46 25.29 105.36 66.93 -92.05 26.33 45.52 29.46 25.02 27.27 9.84 9.36 16.04 8.93 0.26 24.96 3.33 67 N C E 67.74 11.73 15.64 27.63 110.00 94.28 -90.03 105.66 45.72 38.17 16.11 31.48 9.22 4.87 13.11 3.69 0.06 35.14 2.44 68 K E E 94.35 10.91 18.97 29.79 112.85 78.28 -96.42 124.06 33.45 50.14 16.41 22.09 7.51 3.62 13.58 2.93 0.03 48.67 1.57 69 L E E 47.00 16.14 18.95 34.68 116.47 -157.55 -98.64 131.45 25.92 57.56 16.53 18.38 4.12 2.62 14.25 2.69 0.03 56.70 1.21 70 H E E 49.52 16.60 21.72 37.67 120.35 -161.13 -109.49 131.89 21.51 63.27 15.22 15.88 2.76 2.17 13.29 2.54 0.03 61.65 1.67 71 Y E E 36.37 19.09 22.73 40.89 121.14 -160.91 -110.29 131.87 25.74 60.30 13.96 20.84 2.21 1.64 12.47 2.06 0.02 57.63 3.13 72 C C C 14.64 20.19 24.11 43.18 114.88 -146.60 -86.29 138.63 48.91 31.43 19.66 44.30 2.57 1.45 19.43 1.17 0.00 29.20 1.87 73 V H H 19.25 21.48 23.21 43.54 93.91 -118.54 -64.71 -37.48 8.11 0.71 91.18 2.71 1.59 4.30 89.35 1.29 0.09 0.58 0.10 74 S H H 29.24 12.70 25.02 37.99 91.94 54.82 -63.89 -41.34 3.25 0.35 96.40 1.29 0.46 1.63 95.36 0.89 0.01 0.32 0.04 75 C H H 19.61 14.80 23.20 38.33 92.05 49.99 -65.24 -41.64 1.22 0.19 98.60 0.46 0.17 0.65 97.49 1.01 0.01 0.19 0.02 76 A H H 6.16 20.25 19.22 39.96 91.94 51.86 -64.29 -42.15 0.92 0.18 98.90 0.30 0.10 0.51 98.14 0.74 0.01 0.18 0.01 77 I H H 45.34 13.50 19.84 33.35 92.37 49.63 -64.80 -42.58 1.16 0.21 98.63 0.21 0.09 0.84 98.06 0.58 0.02 0.19 0.02 78 H H H 95.70 8.61 20.13 29.10 91.34 51.77 -66.05 -32.87 4.92 0.05 95.03 0.17 0.18 4.70 94.42 0.46 0.03 0.02 0.02 79 A C T 38.44 10.88 16.18 28.27 92.40 50.59 -86.91 -2.48 85.19 0.02 14.79 0.28 0.85 83.02 15.54 0.30 0.00 0.00 0.01 80 R C T 156.52 5.18 18.93 25.37 92.63 -120.64 61.84 31.02 98.43 0.02 1.54 0.53 1.60 96.37 1.38 0.09 0.00 0.01 0.01 81 I C S 48.37 13.69 17.47 31.53 98.20 127.49 -90.39 -18.47 94.82 4.17 1.01 26.90 64.54 3.72 0.79 0.30 0.00 2.07 1.68 82 V C S 23.62 19.49 14.48 33.51 132.51 38.44 -131.75 148.03 88.46 10.41 1.13 32.04 54.89 2.50 0.66 0.49 0.00 6.66 2.74 83 R C C 124.56 7.00 21.97 29.58 119.32 -141.10 -103.30 132.90 87.75 11.40 0.85 72.24 13.99 1.40 0.48 0.46 0.00 8.47 2.95 84 V C C 49.14 16.86 14.48 30.91 115.63 -136.53 -93.58 129.43 89.88 9.06 1.06 82.90 5.97 1.02 0.55 0.50 0.00 6.01 3.04 85 R C C 92.60 9.64 14.86 25.53 121.93 -145.15 -99.55 153.47 95.59 3.34 1.07 83.26 11.17 1.12 0.61 0.41 0.00 1.90 1.52 86 S C C 50.22 4.66 15.87 21.52 118.49 -100.84 -78.27 157.85 96.19 1.84 1.97 87.71 7.40 1.10 1.45 0.44 0.00 0.72 1.18 87 R H H 141.49 5.95 11.45 19.02 92.13 -111.76 -60.40 -36.50 22.26 0.32 77.42 5.99 7.46 10.52 68.19 7.40 0.11 0.12 0.22 88 E H H 133.40 1.14 14.67 14.95 92.16 54.58 -64.94 -39.00 18.99 0.15 80.86 2.32 2.87 13.38 70.25 10.87 0.14 0.08 0.08 89 D H H 63.66 5.06 12.49 19.35 93.27 48.24 -69.16 -34.56 17.59 0.32 82.09 4.23 2.65 10.57 68.91 13.22 0.10 0.19 0.14 90 R H H 78.73 12.59 9.75 22.55 92.22 57.31 -66.09 -35.22 15.01 0.43 84.56 5.68 2.58 7.37 72.46 11.41 0.07 0.24 0.18 91 K H H 138.49 2.75 14.20 18.03 91.90 57.12 -68.67 -27.57 32.49 0.56 66.96 5.32 4.25 22.90 57.55 9.19 0.19 0.28 0.32 92 N C T 118.86 1.58 14.81 16.22 96.63 48.66 -92.95 -0.09 57.50 0.70 41.80 10.07 8.04 39.07 36.28 5.73 0.06 0.30 0.45 93 R C C 93.95 11.51 9.16 21.10 114.08 105.99 -82.01 138.45 90.34 4.24 5.42 59.51 24.93 5.14 4.26 1.12 0.00 1.10 3.94 94 A C C 70.59 3.55 14.87 19.56 119.65 -130.52 -91.26 143.13 97.59 2.24 0.17 84.08 13.04 0.34 0.09 0.06 0.00 0.75 1.63 95 P C C 76.48 7.95 12.35 21.82 116.31 -100.71 -66.03 149.22 99.70 0.23 0.06 95.16 4.35 0.22 0.02 0.03 0.00 0.09 0.13 96 P C C 64.63 9.79 11.60 22.49 115.16 -102.77 -66.17 151.72 99.34 0.25 0.41 93.62 4.44 1.32 0.10 0.25 0.00 0.10 0.18 97 Q C C 130.64 3.03 15.15 19.48 112.54 -101.45 -72.12 139.96 98.33 1.15 0.51 87.71 9.09 1.31 0.14 0.33 0.00 0.38 1.03 98 R C C 127.72 9.03 11.99 22.22 117.67 -126.90 -94.01 134.59 98.62 1.10 0.28 85.19 13.03 0.38 0.12 0.13 0.00 0.42 0.73 99 P C C 58.21 10.09 11.51 22.79 113.81 -111.70 -70.65 146.93 95.70 1.70 2.60 87.84 5.60 2.40 0.89 1.48 0.00 0.81 0.98 100 R C C 151.92 3.78 14.95 19.87 115.24 -135.33 -94.81 135.09 88.55 7.34 4.11 75.12 9.20 3.42 1.81 2.18 0.00 3.33 4.93 101 F C C 94.51 10.06 9.43 20.33 114.44 -137.59 -88.33 135.90 79.97 13.09 6.94 61.42 11.81 4.98 3.55 3.48 0.01 6.21 8.56 102 N C C 83.57 5.11 9.83 16.70 113.69 -137.19 -92.03 137.26 86.28 7.74 5.98 68.15 10.55 6.90 2.58 3.43 0.00 4.40 3.99 103 R C T 181.95 1.78 9.85 12.95 97.61 -137.43 -75.29 -17.35 84.05 3.80 12.14 26.76 18.88 39.31 2.93 8.37 0.01 2.03 1.70 104 D C T 117.65 1.12 10.53 11.81 99.22 55.88 -83.92 8.15 90.60 0.67 8.72 14.70 19.08 56.74 1.74 7.01 0.00 0.36 0.37 105 N C C 115.20 4.17 9.67 15.64 97.12 -111.02 57.98 23.21 90.44 2.31 7.25 33.27 27.55 29.59 0.99 6.46 0.00 1.27 0.87 106 K C C 138.78 2.19 12.69 15.96 114.46 121.30 -95.00 132.23 87.30 10.82 1.89 63.61 17.40 6.10 0.61 1.38 0.00 6.79 4.11 107 V C C 62.34 10.92 9.44 21.18 116.02 -121.39 -92.48 132.96 81.31 17.96 0.73 69.26 10.36 0.75 0.45 0.32 0.00 6.98 11.88 108 S C C 49.12 5.42 15.17 21.96 117.44 -141.09 -93.21 143.34 98.91 0.85 0.24 97.19 1.85 0.08 0.21 0.03 0.00 0.36 0.29 109 P H H 75.84 6.68 13.63 21.98 92.98 -124.39 -59.22 -38.08 3.62 0.02 96.37 1.29 0.39 1.83 95.34 1.13 0.00 0.01 0.01 110 A H H 58.50 4.16 15.78 20.81 92.39 52.35 -64.62 -40.10 2.07 0.02 97.91 0.53 0.20 1.24 96.85 1.17 0.00 0.02 0.00 111 A H H 45.56 4.23 15.37 20.90 91.82 49.74 -64.88 -41.07 0.80 0.02 99.18 0.25 0.08 0.42 98.24 0.99 0.00 0.02 0.00 112 A H H 34.36 6.40 13.45 22.04 91.72 50.91 -64.12 -41.11 0.81 0.01 99.18 0.24 0.08 0.42 98.69 0.57 0.00 0.01 0.00 113 A H H 50.03 4.91 13.43 20.01 91.91 51.19 -65.12 -39.09 2.67 0.02 97.30 0.63 0.21 1.65 96.76 0.72 0.00 0.01 0.01 114 K H H 131.31 2.54 13.78 17.20 92.44 51.81 -67.06 -36.48 8.08 0.04 91.88 1.40 0.66 5.55 91.20 1.14 0.01 0.02 0.02 115 K H H 135.74 2.62 12.90 16.48 93.64 53.66 -69.10 -32.78 25.19 0.22 74.59 4.77 2.83 17.15 73.55 1.47 0.03 0.08 0.13 116 A C H 72.31 3.73 11.45 16.54 95.72 57.30 -73.07 -21.32 55.52 0.52 43.97 22.33 1.75 28.66 45.18 1.57 0.00 0.19 0.32 117 L C C 98.92 5.99 11.54 18.78 98.54 66.91 -78.48 -10.70 99.76 0.08 0.15 99.41 0.17 0.23 0.12 0.01 0.00 0.04 0.02