# 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 D C C 102.17 3.67 20.81 24.58 103.46 -130.48 -80.03 57.71 99.82 0.17 0.00 99.71 0.13 0.03 0.00 0.00 0.00 0.12 0.00 1 I C C 34.36 20.90 10.52 30.16 118.44 -161.35 -99.78 131.36 60.78 39.14 0.08 59.64 0.60 0.14 0.01 0.04 0.00 38.92 0.64 2 Q E E 98.13 4.90 22.20 27.90 123.42 -168.65 -119.21 137.75 15.20 84.71 0.09 13.88 1.06 0.15 0.03 0.05 0.00 84.19 0.63 3 M E E 45.81 20.60 13.28 32.94 122.33 -157.73 -111.65 134.41 6.80 93.15 0.05 6.50 0.35 0.06 0.02 0.02 0.00 92.47 0.58 4 T E E 61.03 7.90 21.38 29.89 125.14 -172.03 -123.07 143.53 12.18 87.73 0.09 10.88 1.07 0.16 0.03 0.05 0.00 86.55 1.25 5 Q E E 75.13 14.48 15.93 30.08 125.12 -159.32 -121.92 139.52 44.61 55.25 0.15 34.12 10.13 0.68 0.03 0.14 0.00 53.79 1.12 6 S C C 53.11 10.34 17.26 28.14 122.05 -143.75 -103.43 147.99 83.66 16.25 0.09 55.48 26.87 0.88 0.01 0.10 0.00 16.01 0.65 7 P C C 55.75 9.41 16.86 27.10 115.95 13.56 -72.47 152.01 91.83 7.90 0.27 69.66 19.12 2.35 0.03 0.32 0.00 8.03 0.49 8 S C S 66.99 8.98 16.77 26.57 97.64 -149.24 -85.75 -20.82 84.04 15.79 0.17 26.66 54.39 1.89 0.01 0.18 0.00 16.41 0.45 9 S E E 56.77 6.58 20.46 28.27 136.50 17.85 -147.64 150.31 17.73 82.14 0.13 13.99 3.39 0.39 0.02 0.13 0.00 81.67 0.42 10 L E E 32.38 19.74 14.75 33.87 131.96 -175.17 -139.94 146.11 2.93 97.06 0.01 2.62 0.19 0.01 0.00 0.01 0.00 97.01 0.16 11 S E E 65.08 6.39 23.44 31.01 124.80 -158.49 -120.91 139.21 2.62 97.37 0.01 2.35 0.18 0.01 0.00 0.00 0.00 97.31 0.15 12 A E E 12.00 19.64 14.56 34.31 138.64 168.15 -147.71 159.83 18.04 81.93 0.03 16.16 1.10 0.07 0.01 0.02 0.00 82.24 0.40 13 S E E 54.38 4.93 23.80 28.54 124.18 -115.73 -89.91 159.30 41.31 58.49 0.20 37.36 3.00 0.44 0.08 0.15 0.00 52.76 6.21 14 V C T 60.89 15.09 14.31 29.33 109.21 -81.89 -60.00 135.04 98.60 0.93 0.47 0.44 3.63 94.92 0.02 0.33 0.00 0.54 0.12 15 G C T 44.59 4.53 20.03 25.34 95.88 22.96 88.73 -6.43 99.40 0.28 0.31 0.63 4.46 94.41 0.01 0.26 0.00 0.19 0.04 16 D C C 58.28 9.40 17.14 27.69 121.13 122.85 -78.91 152.08 96.42 3.40 0.19 61.22 34.92 0.67 0.04 0.16 0.00 2.46 0.54 17 R C C 128.56 8.02 19.82 28.90 119.61 -124.27 -98.03 137.35 76.91 23.08 0.01 77.32 0.57 0.03 0.00 0.01 0.00 21.44 0.61 18 V E E 11.01 22.51 14.71 37.26 128.09 -170.24 -126.70 142.78 1.65 98.35 0.00 1.71 0.02 0.00 0.00 0.00 0.00 98.15 0.12 19 T E E 61.49 8.09 25.24 33.81 117.94 -146.22 -108.36 128.46 0.34 99.66 0.00 0.34 0.00 0.00 0.00 0.00 0.00 99.65 0.00 20 I E E 4.78 25.63 16.72 43.14 120.78 -167.85 -116.27 129.59 0.88 99.12 0.00 0.83 0.02 0.00 0.00 0.00 0.00 99.15 0.01 21 T E E 41.22 9.60 26.96 37.34 121.13 -163.80 -111.51 134.78 3.38 96.62 0.00 3.06 0.07 0.00 0.00 0.00 0.00 96.86 0.02 22 C E E 4.17 25.78 16.88 43.15 126.60 -172.28 -124.25 140.58 4.02 95.98 0.00 3.64 0.12 0.00 0.00 0.00 0.00 96.19 0.05 23 R E E 102.01 7.57 27.35 35.70 120.70 -163.44 -117.46 130.74 3.20 96.80 0.01 2.97 0.13 0.01 0.00 0.00 0.00 96.53 0.35 24 A E E 9.68 23.67 14.06 37.39 122.23 -162.46 -103.22 141.23 33.30 66.56 0.14 32.12 1.19 0.17 0.04 0.09 0.00 64.65 1.73 25 S C C 52.88 7.13 20.76 28.33 115.10 -152.17 -90.84 146.32 80.85 18.71 0.44 50.90 26.98 2.83 0.06 0.46 0.00 17.75 1.02 26 Q C S 111.35 6.09 17.89 24.54 105.13 -50.45 -90.29 14.72 92.59 6.26 1.15 22.95 57.89 11.99 0.13 1.06 0.00 5.00 0.99 27 S C C 61.84 7.10 17.66 25.59 116.11 54.56 -102.88 142.51 93.80 4.43 1.77 51.84 29.08 12.84 0.25 1.85 0.00 2.91 1.24 28 I C S 72.42 12.93 16.68 29.41 105.11 -111.41 -88.08 56.39 92.11 5.39 2.49 30.12 36.30 25.96 0.31 2.43 0.00 3.50 1.39 29 S C C 35.28 13.88 18.30 32.11 117.43 80.83 -99.23 133.16 90.84 7.17 1.99 47.05 21.85 21.85 0.19 2.18 0.00 6.03 0.86 30 S C C 40.99 13.24 20.19 33.17 103.46 132.30 -97.91 -9.82 83.87 15.03 1.11 41.95 38.12 3.73 0.11 1.04 0.00 14.20 0.85 31 Y E E 70.21 12.10 24.38 36.79 128.42 42.07 -127.94 143.19 26.63 72.88 0.49 21.96 3.84 0.73 0.08 0.40 0.00 72.08 0.90 32 L E E 4.01 26.05 18.62 45.24 125.38 -162.16 -122.15 136.82 5.46 94.51 0.02 4.98 0.37 0.03 0.01 0.01 0.00 94.45 0.15 33 N E E 31.13 14.53 27.61 42.27 124.81 -167.24 -119.53 142.56 1.30 98.70 0.00 1.19 0.06 0.00 0.00 0.00 0.00 98.73 0.02 34 W E E 9.46 24.41 21.17 45.62 123.96 -156.57 -113.10 140.40 0.85 99.15 0.00 0.78 0.03 0.00 0.00 0.00 0.00 99.17 0.01 35 F E E 25.32 15.83 23.74 39.83 130.59 -172.91 -128.74 148.98 0.76 99.24 0.00 0.67 0.03 0.00 0.00 0.00 0.00 99.26 0.04 36 Q E E 37.85 15.09 20.78 36.17 122.76 -151.69 -115.28 136.27 3.19 96.81 0.00 2.65 0.29 0.02 0.00 0.00 0.00 96.95 0.09 37 H E E 63.47 13.05 15.82 29.55 119.00 -147.12 -104.85 131.53 30.25 69.73 0.02 27.25 1.95 0.08 0.00 0.02 0.00 69.62 1.07 38 K C C 94.74 6.66 14.76 22.87 119.76 -140.53 -94.07 144.00 97.14 2.82 0.03 95.17 2.10 0.16 0.01 0.02 0.00 2.07 0.46 39 P C T 104.59 3.60 11.20 16.79 109.43 -86.79 -58.71 134.21 99.49 0.16 0.35 0.52 4.08 94.90 0.01 0.35 0.00 0.10 0.03 40 G C T 69.34 0.27 12.67 10.31 95.93 17.18 82.93 -2.77 99.52 0.11 0.37 0.57 4.04 94.89 0.01 0.40 0.00 0.08 0.02 41 K C S 111.33 4.06 10.52 16.73 129.43 89.97 -118.23 160.61 92.97 6.55 0.48 28.56 62.94 1.74 0.09 0.38 0.00 2.58 3.70 42 A C C 74.18 2.70 16.11 19.30 115.86 -94.31 -70.93 148.53 96.80 3.16 0.03 86.57 10.28 0.19 0.01 0.03 0.00 2.51 0.41 43 P C C 46.54 17.29 10.91 27.49 115.05 -102.20 -65.43 145.67 89.27 10.70 0.04 87.43 1.81 0.15 0.01 0.03 0.00 10.20 0.37 44 K E E 102.33 6.82 20.85 28.54 122.90 -156.62 -117.33 137.86 12.30 87.63 0.07 10.40 1.80 0.15 0.02 0.04 0.00 86.89 0.71 45 L E E 65.00 15.51 17.41 32.55 110.94 -116.89 -75.14 126.25 1.12 98.87 0.01 1.00 0.05 0.00 0.00 0.00 0.00 98.90 0.04 46 L E E 27.23 17.21 20.77 38.00 101.16 175.41 -96.69 -34.70 1.92 98.06 0.01 1.36 0.44 0.02 0.00 0.00 0.00 98.17 0.01 47 I E E 14.49 20.83 20.98 41.60 135.65 4.69 -147.99 142.87 0.46 99.53 0.01 0.38 0.03 0.00 0.00 0.00 0.00 99.56 0.02 48 Y E E 70.23 16.44 23.09 38.42 128.92 -172.59 -131.83 138.56 3.76 96.18 0.06 3.21 0.29 0.04 0.02 0.02 0.00 96.29 0.12 49 G E E 10.97 18.67 20.03 38.09 120.84 -159.21 -110.21 148.23 34.46 63.56 1.98 25.87 7.60 1.99 0.87 1.05 0.00 61.75 0.86 50 A C C 32.97 14.25 19.21 33.44 123.00 -159.40 -112.76 147.89 57.62 22.32 20.07 35.15 14.84 9.38 5.95 12.95 0.07 19.54 2.12 51 S C T 65.48 8.17 18.65 27.16 99.80 -129.68 -79.55 -15.47 61.32 7.55 31.12 21.96 19.65 21.99 9.98 19.25 0.18 4.93 2.06 52 S C C 63.68 6.49 18.79 25.84 108.24 51.13 -98.44 38.52 59.33 7.87 32.80 27.24 14.43 19.51 11.52 19.89 0.14 4.82 2.44 53 L C C 57.49 16.28 12.16 27.47 107.92 99.01 -88.20 88.93 62.58 9.42 28.00 39.13 12.62 11.06 13.53 14.54 0.06 5.88 3.17 54 Q C C 109.88 6.17 15.56 22.94 110.57 143.02 -93.40 108.84 66.80 11.87 21.33 38.56 13.19 15.47 11.15 9.86 0.10 7.31 4.37 55 S C T 73.47 5.72 14.73 21.76 108.72 -98.07 -88.58 106.66 81.18 5.38 13.44 19.71 19.01 43.12 5.88 6.83 0.06 3.28 2.11 56 G C T 53.31 3.87 16.67 21.57 100.26 -35.68 83.92 1.17 93.57 2.93 3.50 21.56 29.19 43.22 0.69 2.64 0.00 1.85 0.85 57 V C C 43.19 15.10 11.58 26.95 117.54 112.16 -99.01 132.86 86.28 12.85 0.87 52.21 32.80 2.07 0.34 0.55 0.00 5.80 6.21 58 P C C 65.97 7.85 17.78 26.60 110.17 -108.89 -66.51 146.40 87.95 8.38 3.67 61.52 14.86 11.27 0.87 3.14 0.00 6.09 2.25 59 S C C 57.29 12.73 16.02 28.38 104.38 -125.06 -81.10 26.14 85.46 9.11 5.43 53.26 17.41 14.88 0.87 5.03 0.00 7.04 1.50 60 R C C 108.49 9.86 20.50 30.36 106.56 87.48 -98.46 35.59 73.06 22.46 4.49 40.11 25.65 7.95 0.79 3.52 0.01 20.44 1.53 61 F E E 28.20 22.44 13.80 35.49 123.89 117.83 -111.50 138.82 27.59 71.46 0.95 22.65 4.75 1.16 0.37 0.58 0.00 69.01 1.47 62 S E E 54.41 6.98 23.73 31.92 135.05 -176.00 -137.81 154.29 9.36 90.42 0.21 8.24 0.95 0.20 0.09 0.09 0.00 89.76 0.67 63 G E E 22.49 18.42 15.35 32.58 140.37 166.97 -156.66 166.13 8.03 91.89 0.09 6.79 0.95 0.17 0.02 0.04 0.00 91.63 0.40 64 S E E 66.16 4.67 21.80 28.09 135.49 -167.61 -145.06 156.98 13.69 86.22 0.08 11.86 1.48 0.23 0.02 0.05 0.00 85.84 0.52 65 G E E 30.47 10.76 15.46 27.01 139.71 127.79 105.97 160.82 32.79 67.06 0.15 23.21 9.29 1.32 0.02 0.16 0.00 65.13 0.87 66 S C C 78.03 3.09 20.54 24.11 115.30 -104.15 -117.03 107.21 58.14 41.40 0.46 40.64 15.03 3.61 0.08 0.50 0.00 37.15 2.98 67 G C S 34.72 9.48 18.96 28.65 109.23 -49.34 66.41 -127.55 98.13 1.27 0.61 2.33 55.68 40.32 0.02 0.58 0.00 0.93 0.14 68 T C S 54.33 14.54 16.47 30.94 97.83 -10.91 -98.64 -1.97 98.06 1.46 0.48 2.25 55.42 40.58 0.01 0.45 0.00 1.15 0.13 69 D E E 60.35 8.90 22.36 32.39 119.97 85.15 -106.88 131.35 34.03 65.80 0.18 23.96 9.78 1.24 0.02 0.21 0.00 62.73 2.05 70 F E E 8.30 24.46 15.98 40.82 128.86 -175.42 -127.80 142.42 11.67 88.33 0.00 11.16 0.29 0.01 0.00 0.00 0.00 88.25 0.28 71 T E E 36.82 10.24 27.17 38.46 122.42 -159.07 -117.84 134.53 2.54 97.46 0.00 2.25 0.07 0.00 0.00 0.00 0.00 97.63 0.04 72 L E E 3.07 26.15 18.87 45.94 119.85 -162.61 -113.12 128.66 0.27 99.73 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.00 73 T E E 40.22 10.06 27.19 38.06 119.86 -164.33 -115.37 128.87 0.15 99.85 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.01 74 I E E 7.80 24.04 16.08 40.68 116.90 -163.79 -110.92 123.54 2.82 97.18 0.00 2.91 0.03 0.00 0.00 0.00 0.00 96.71 0.35 75 S C C 51.06 6.75 22.91 29.82 117.67 -168.93 -103.10 147.12 92.98 6.96 0.07 47.25 40.16 4.30 0.00 0.12 0.00 7.92 0.24 76 S C S 66.43 4.39 24.18 28.54 105.61 9.63 61.27 78.62 99.03 0.94 0.03 9.15 85.72 4.21 0.00 0.04 0.00 0.81 0.08 77 L C C 20.22 23.64 10.62 33.71 112.67 -141.81 -77.12 129.67 99.25 0.73 0.01 97.42 1.92 0.03 0.00 0.00 0.00 0.26 0.36 78 Q C C 80.12 4.66 23.71 28.30 130.25 -177.05 -125.80 154.96 99.87 0.12 0.01 99.45 0.44 0.00 0.00 0.00 0.00 0.02 0.08 79 P H G 71.38 12.30 15.11 27.73 91.19 -106.45 -58.48 -32.43 3.21 0.01 96.77 0.16 0.18 2.04 0.31 97.29 0.00 0.01 0.00 80 E H G 128.07 3.38 21.04 25.06 89.83 62.89 -70.37 -16.30 2.48 0.02 97.50 0.08 0.13 1.68 0.24 97.86 0.00 0.01 0.00 81 D H G 15.86 20.26 15.70 36.29 93.43 62.56 -85.57 -3.50 3.37 0.03 96.60 0.41 0.31 1.51 0.35 97.39 0.00 0.03 0.00 82 F C C 55.07 16.87 19.55 36.26 115.71 107.21 -75.95 135.08 92.08 7.21 0.71 86.27 5.85 0.29 0.10 0.65 0.00 6.30 0.54 83 A E E 16.74 15.75 22.61 38.18 143.72 141.70 -156.61 171.88 16.67 83.29 0.04 14.95 1.52 0.11 0.01 0.03 0.00 82.52 0.87 84 T E E 40.50 12.44 25.23 38.07 119.33 -77.77 -102.30 135.77 1.56 98.43 0.00 1.46 0.08 0.00 0.00 0.00 0.00 98.38 0.07 85 Y E E 8.30 25.09 19.17 44.39 125.27 -165.89 -116.78 138.34 0.85 99.15 0.00 0.75 0.06 0.00 0.00 0.00 0.00 99.15 0.03 86 Y E E 40.58 14.84 27.28 42.24 128.30 -168.27 -123.62 145.32 2.93 97.05 0.02 2.50 0.19 0.03 0.00 0.01 0.00 97.19 0.08 87 C E E 3.99 25.06 20.45 45.70 122.64 -159.71 -114.50 135.17 12.14 87.68 0.18 10.25 1.24 0.22 0.05 0.09 0.00 87.82 0.32 88 Q E E 42.58 13.65 25.90 39.52 126.77 -171.40 -124.22 141.55 11.89 87.72 0.39 10.46 1.14 0.31 0.13 0.19 0.00 87.18 0.58 89 Q E E 38.00 18.90 18.66 36.80 120.37 -150.41 -107.39 135.88 17.49 81.90 0.61 14.83 2.39 0.67 0.21 0.34 0.00 80.76 0.80 90 S E E 36.45 11.03 18.87 30.69 126.21 -171.22 -121.79 146.98 28.69 70.68 0.63 23.32 4.68 1.24 0.19 0.44 0.00 68.52 1.61 91 Y C C 110.34 10.13 14.12 25.12 107.56 -153.33 -103.43 39.50 56.96 42.38 0.66 39.69 14.23 3.93 0.13 0.60 0.00 39.45 1.96 92 S C S 70.63 4.42 14.22 19.92 115.79 97.70 -103.07 137.50 89.66 9.88 0.46 24.59 51.77 12.77 0.04 0.53 0.00 9.48 0.81 93 T C S 92.75 3.65 13.02 18.26 117.77 -52.90 -105.55 132.84 95.11 4.46 0.43 20.23 65.34 9.59 0.05 0.46 0.00 3.58 0.76 94 P C S 86.43 3.36 14.22 18.64 115.89 5.93 -76.34 147.82 94.43 4.68 0.89 32.07 46.82 15.56 0.09 0.97 0.00 3.85 0.63 95 P C C 74.05 8.53 13.67 23.37 113.81 -97.24 -69.67 144.17 86.46 12.64 0.90 54.34 20.44 10.96 0.10 0.96 0.00 12.49 0.70 96 Y E E 78.77 13.50 14.70 28.73 120.73 -152.39 -107.34 137.25 48.25 51.07 0.69 40.67 5.23 1.70 0.14 0.57 0.00 50.15 1.55 97 T E E 61.28 10.87 19.34 30.64 123.68 -156.97 -114.86 135.94 19.28 80.39 0.33 16.66 2.18 0.52 0.14 0.20 0.00 77.36 2.94 98 F E E 51.01 17.88 15.90 33.28 118.78 -162.08 -104.87 133.40 25.40 74.08 0.52 20.11 4.76 1.54 0.20 0.38 0.00 69.84 3.17 99 G C C 25.24 11.45 18.32 29.90 123.56 -135.12 -81.25 -162.18 68.25 30.91 0.84 36.48 22.69 9.29 0.11 0.79 0.00 29.54 1.10 100 Q C S 120.68 5.01 20.76 26.32 100.94 -48.49 -79.22 12.43 75.39 23.33 1.29 27.57 33.06 15.28 0.14 1.21 0.00 21.38 1.34 101 G C C 19.89 15.42 16.94 31.60 126.34 -112.24 96.22 175.79 70.54 28.83 0.63 38.15 24.39 7.66 0.06 0.68 0.00 28.19 0.87 102 T E E 32.06 17.62 17.64 34.87 121.72 -89.22 -107.06 138.54 35.81 64.06 0.13 31.31 2.95 0.38 0.03 0.10 0.00 64.69 0.55 103 K E E 104.01 8.65 22.67 31.95 121.56 -149.52 -109.92 133.21 4.73 95.22 0.06 4.17 0.41 0.06 0.02 0.02 0.00 95.07 0.26 104 L E E 20.50 21.87 14.46 35.93 121.23 -164.89 -114.26 131.04 2.71 97.26 0.03 2.55 0.11 0.02 0.01 0.01 0.00 97.17 0.13 105 E E E 97.98 5.34 22.93 28.73 116.96 -155.03 -104.80 127.53 5.44 94.51 0.05 5.17 0.25 0.06 0.02 0.02 0.00 94.14 0.35 106 I E E 31.22 20.16 10.73 30.10 115.88 -156.50 -100.88 126.04 33.26 66.62 0.12 33.03 0.34 0.12 0.05 0.05 0.00 65.33 1.09 107 K C C 130.12 3.78 19.35 23.98 114.97 -160.93 -97.94 130.88 99.48 0.51 0.00 99.52 0.05 0.02 0.00 0.00 0.00 0.40 0.01