# 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 103.21 3.58 20.30 24.08 103.55 -125.14 -78.36 57.12 99.85 0.15 0.00 99.78 0.09 0.02 0.00 0.00 0.00 0.10 0.00 1 M C C 45.80 19.91 10.67 29.11 118.90 -153.89 -96.47 134.00 63.02 36.86 0.13 61.92 0.56 0.20 0.03 0.06 0.00 36.42 0.81 2 Q E E 98.88 5.08 21.22 27.30 124.85 -170.36 -121.91 139.05 21.30 78.52 0.18 19.22 1.60 0.29 0.07 0.11 0.00 77.67 1.03 3 M E E 49.34 20.03 13.12 32.08 121.82 -155.15 -110.45 133.45 12.86 87.03 0.12 11.99 0.80 0.14 0.05 0.06 0.00 85.86 1.10 4 T E E 63.27 7.93 20.89 29.39 124.73 -172.09 -118.73 142.89 19.27 80.56 0.17 16.84 2.06 0.31 0.06 0.10 0.00 78.81 1.82 5 Q E E 77.78 13.45 16.36 29.69 125.66 -152.51 -122.55 141.00 48.91 50.88 0.22 36.48 12.30 0.95 0.05 0.20 0.00 48.47 1.55 6 S C C 51.83 11.12 16.63 28.21 122.05 -142.78 -103.00 146.73 84.14 15.75 0.12 58.02 24.81 0.97 0.02 0.12 0.00 15.32 0.74 7 P C C 54.78 9.74 16.69 27.19 115.89 9.42 -72.24 151.84 91.60 7.88 0.53 66.56 20.68 3.67 0.05 0.63 0.00 7.86 0.54 8 S C S 70.03 8.17 16.76 25.87 97.22 -146.81 -83.41 -20.00 84.47 15.16 0.37 29.64 50.56 3.21 0.02 0.41 0.00 15.60 0.54 9 S E E 58.06 6.36 20.04 27.64 135.26 20.81 -145.64 150.25 23.38 76.27 0.35 18.12 4.76 0.83 0.04 0.35 0.00 75.37 0.54 10 L E E 34.01 19.65 14.47 33.42 130.42 -175.44 -138.12 145.54 4.52 95.45 0.02 4.02 0.38 0.03 0.01 0.02 0.00 95.29 0.26 11 S E E 65.20 6.33 23.25 30.80 125.70 -159.98 -121.38 141.35 3.20 96.79 0.01 2.85 0.24 0.02 0.00 0.01 0.00 96.65 0.22 12 A E E 12.92 19.63 14.39 34.04 138.49 168.38 -147.45 160.31 16.34 83.62 0.04 14.59 1.11 0.07 0.01 0.03 0.00 83.76 0.43 13 S E E 55.02 4.83 23.75 28.40 124.88 -120.85 -95.15 159.59 38.90 60.94 0.16 34.99 3.10 0.38 0.07 0.12 0.00 55.53 5.80 14 V C T 62.99 14.69 14.31 28.95 109.13 -81.58 -60.13 134.65 98.51 1.08 0.42 0.44 3.57 94.94 0.02 0.28 0.00 0.63 0.13 15 G C T 44.73 4.49 19.98 25.21 96.05 23.00 89.09 -6.48 99.45 0.30 0.25 0.65 4.55 94.35 0.01 0.20 0.00 0.21 0.04 16 D C C 57.33 9.64 16.90 27.71 120.90 123.23 -77.52 151.60 96.22 3.61 0.16 64.53 31.42 0.62 0.03 0.14 0.00 2.75 0.51 17 R C C 127.90 8.03 19.84 28.97 120.12 -125.85 -98.93 136.91 72.80 27.19 0.01 73.24 0.52 0.03 0.00 0.01 0.00 25.52 0.68 18 V E E 10.75 22.65 14.69 37.37 128.09 -171.47 -126.34 142.79 1.20 98.80 0.00 1.21 0.02 0.00 0.00 0.00 0.00 98.67 0.10 19 T E E 61.23 7.99 25.31 33.76 118.11 -146.07 -108.29 128.56 0.38 99.62 0.00 0.38 0.00 0.00 0.00 0.00 0.00 99.60 0.01 20 I E E 4.75 25.68 16.68 43.17 120.50 -167.51 -115.78 129.11 1.34 98.66 0.00 1.26 0.03 0.00 0.00 0.00 0.00 98.70 0.01 21 T E E 41.87 9.62 27.02 37.40 121.95 -164.88 -113.19 134.88 5.36 94.64 0.00 4.84 0.14 0.00 0.00 0.00 0.00 94.98 0.04 22 C E E 4.34 25.78 16.88 43.12 126.12 -172.64 -124.70 139.34 6.08 93.92 0.01 5.57 0.21 0.01 0.00 0.00 0.00 94.10 0.10 23 R E E 102.23 7.54 27.29 35.58 120.37 -165.18 -116.90 131.58 5.67 94.31 0.02 5.34 0.26 0.03 0.01 0.01 0.00 93.48 0.88 24 A E E 10.47 23.42 14.05 37.01 122.55 -165.06 -105.86 141.52 45.03 54.51 0.46 42.53 1.86 0.40 0.14 0.30 0.00 52.48 2.29 25 S C C 52.90 7.11 20.51 28.10 113.43 -144.49 -92.80 145.79 84.16 15.06 0.77 49.55 29.80 4.84 0.10 0.82 0.00 13.86 1.04 26 Q C S 116.20 5.44 18.06 24.06 102.71 -47.15 -84.81 26.96 92.65 6.02 1.33 23.97 55.11 13.83 0.14 1.28 0.00 4.71 0.95 27 S C C 52.83 9.78 16.08 26.53 121.27 81.64 -102.28 152.63 93.79 4.55 1.66 52.63 28.99 12.10 0.23 1.78 0.00 3.05 1.22 28 V C S 68.49 11.03 18.13 29.27 101.36 -123.10 -84.77 -15.42 93.84 4.84 1.32 28.83 50.97 14.21 0.19 1.24 0.00 3.27 1.29 29 F C C 51.76 16.50 17.06 33.29 119.04 75.54 -100.77 133.16 89.19 9.90 0.91 57.16 22.64 9.14 0.11 1.03 0.00 8.63 1.28 30 T C C 52.07 12.70 21.38 33.90 101.94 171.98 -98.69 -17.59 84.41 15.29 0.30 48.19 34.33 1.76 0.03 0.29 0.00 14.81 0.58 31 Y E E 63.61 12.02 24.49 37.13 132.89 32.96 -137.23 147.11 22.50 77.28 0.22 18.42 3.24 0.52 0.04 0.18 0.00 76.96 0.65 32 L E E 3.71 26.21 18.86 45.68 125.26 -163.11 -122.82 136.52 4.08 95.90 0.02 3.75 0.26 0.02 0.01 0.01 0.00 95.84 0.11 33 N E E 29.36 14.59 27.70 42.49 125.83 -167.22 -119.75 142.06 1.03 98.96 0.00 0.93 0.04 0.00 0.00 0.00 0.00 99.01 0.01 34 W E E 9.23 24.40 21.18 45.61 123.81 -156.65 -112.66 139.67 0.67 99.33 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.35 0.01 35 Y E E 28.68 15.54 23.69 39.58 132.15 -174.32 -130.53 151.31 0.58 99.42 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.44 0.03 36 Q E E 39.97 14.78 20.66 35.78 121.65 -149.08 -111.14 135.76 3.32 96.68 0.00 2.70 0.37 0.02 0.00 0.00 0.00 96.81 0.09 37 Q E E 56.29 13.15 15.55 29.42 119.38 -148.94 -104.63 133.98 33.21 66.76 0.03 29.76 2.38 0.10 0.00 0.02 0.00 66.75 0.98 38 K C C 97.91 6.32 14.81 22.56 119.42 -140.98 -95.39 144.37 96.93 3.03 0.03 94.33 2.66 0.20 0.01 0.02 0.00 2.26 0.50 39 P C T 105.46 3.45 11.20 16.63 109.47 -87.69 -58.87 133.97 99.50 0.15 0.35 0.58 4.33 94.60 0.01 0.34 0.00 0.10 0.03 40 G C T 69.23 0.29 12.65 10.35 96.12 16.67 83.00 -2.68 99.51 0.11 0.37 0.66 4.32 94.51 0.01 0.40 0.00 0.08 0.02 41 K C S 111.38 4.04 10.53 16.73 129.00 90.67 -118.00 159.40 92.79 6.77 0.44 30.97 60.41 1.48 0.10 0.34 0.00 2.53 4.18 42 A C C 74.13 2.75 16.04 19.31 115.87 -94.61 -69.32 148.55 96.96 3.00 0.04 86.44 10.53 0.21 0.01 0.03 0.00 2.36 0.41 43 P C C 44.98 17.49 10.89 27.67 114.96 -102.29 -65.87 145.21 92.44 7.51 0.05 90.03 2.24 0.18 0.01 0.04 0.00 7.23 0.27 44 K E E 102.26 6.78 21.00 28.64 122.76 -154.47 -116.83 136.99 11.34 88.54 0.11 9.78 1.45 0.15 0.04 0.06 0.00 87.76 0.75 45 L E E 63.65 15.70 17.28 32.62 111.00 -117.75 -75.48 126.08 1.16 98.82 0.01 1.03 0.06 0.00 0.00 0.00 0.00 98.86 0.04 46 L E E 28.31 16.84 20.80 37.70 101.43 175.31 -96.34 -34.92 1.84 98.13 0.03 1.27 0.42 0.02 0.01 0.00 0.00 98.26 0.01 47 I E E 14.97 20.37 21.19 41.39 136.37 3.92 -148.21 142.38 0.45 99.54 0.01 0.36 0.03 0.00 0.00 0.00 0.00 99.58 0.01 48 Y E E 65.14 16.88 22.92 38.66 126.69 -170.11 -129.18 133.38 2.64 97.25 0.11 2.29 0.16 0.03 0.06 0.02 0.00 97.34 0.09 49 A E E 15.74 18.59 20.23 38.50 118.72 -166.32 -112.11 131.21 28.36 67.57 4.07 22.31 4.97 1.73 2.10 1.69 0.00 66.37 0.82 50 A C C 32.30 14.26 19.32 33.53 115.34 -162.55 -107.67 133.14 48.56 22.71 28.73 29.91 11.35 9.26 9.05 17.96 0.07 20.73 1.68 51 S C C 55.33 9.72 18.34 28.20 106.31 -137.55 -90.93 -9.61 54.76 9.15 36.10 24.00 15.49 17.46 12.02 22.43 0.16 6.48 1.96 52 R C C 136.32 6.02 18.70 25.39 106.63 39.70 -95.29 62.29 52.94 10.05 37.01 26.32 12.82 15.71 13.35 22.40 0.16 6.69 2.56 53 L C C 60.91 15.40 12.28 27.07 113.40 58.72 -89.08 126.34 61.63 11.58 26.79 39.29 12.40 9.99 14.54 12.52 0.08 7.61 3.57 54 Q C C 103.64 6.86 14.78 22.84 114.03 -157.61 -99.20 123.20 70.17 11.84 17.99 44.02 12.28 13.80 10.37 7.62 0.05 7.75 4.11 55 S C T 77.84 4.94 14.38 20.83 110.06 -120.78 -85.56 126.38 84.51 5.46 10.03 22.95 19.12 43.22 4.79 4.61 0.03 3.49 1.81 56 G C T 53.93 3.51 16.33 20.82 101.26 6.55 84.01 -1.01 94.01 3.15 2.85 23.83 28.89 41.69 0.59 2.12 0.00 2.07 0.81 57 V C C 46.73 14.44 11.47 26.26 117.53 109.25 -98.94 132.10 88.86 10.30 0.84 54.60 32.65 2.18 0.31 0.55 0.00 5.13 4.57 58 P C C 63.88 8.34 16.65 26.10 109.26 -107.91 -66.75 146.15 88.26 6.43 5.31 57.63 15.60 14.81 1.02 4.68 0.00 4.71 1.55 59 S C C 61.68 10.78 16.04 26.94 99.56 -119.19 -77.07 -4.65 83.10 8.25 8.65 39.93 22.35 21.71 1.13 7.60 0.01 5.92 1.36 60 R C C 106.70 9.68 19.45 29.29 102.30 75.04 -95.88 20.69 67.45 24.03 8.52 35.75 20.43 12.58 1.27 6.67 0.02 21.80 1.49 61 F E E 32.09 21.87 13.00 33.98 121.11 112.78 -103.36 136.92 26.42 72.09 1.48 21.95 4.15 1.21 0.57 0.85 0.00 69.85 1.42 62 R E E 127.34 5.18 23.13 29.78 130.68 -175.32 -132.96 147.18 9.30 90.38 0.32 8.06 1.07 0.28 0.15 0.15 0.00 89.39 0.90 63 G E E 24.30 17.41 15.08 31.39 138.87 148.48 -159.03 169.09 11.85 87.95 0.20 9.89 1.66 0.39 0.06 0.12 0.00 87.24 0.64 64 S E E 65.19 5.02 21.01 27.54 133.91 -167.14 -143.11 155.90 23.60 76.18 0.22 19.75 3.09 0.63 0.05 0.16 0.00 75.65 0.67 65 G E E 31.88 11.37 14.84 26.78 138.12 136.97 115.78 175.34 43.15 56.54 0.30 29.19 12.84 2.36 0.04 0.32 0.00 54.11 1.14 66 S C C 77.45 3.27 20.18 24.08 118.47 -116.54 -118.58 114.39 61.73 37.26 1.01 34.64 21.16 7.75 0.17 1.06 0.01 31.44 3.78 67 G C S 34.53 9.69 18.62 28.42 109.18 -50.80 65.95 -127.54 97.47 1.47 1.06 3.59 53.15 40.88 0.04 1.07 0.00 1.06 0.21 68 T C S 56.33 14.06 16.67 30.63 97.80 -8.59 -98.84 -2.26 97.45 1.69 0.86 3.29 53.71 40.65 0.03 0.83 0.00 1.30 0.19 69 D E E 59.26 9.15 22.17 32.38 120.40 84.25 -107.22 131.77 39.83 59.80 0.36 25.06 13.84 2.41 0.05 0.42 0.00 55.09 3.11 70 F E E 8.34 24.36 16.11 40.84 128.61 -174.43 -126.07 142.83 17.48 82.51 0.01 16.31 0.65 0.04 0.00 0.01 0.00 82.53 0.47 71 T E E 34.63 10.51 27.02 38.59 123.71 -160.95 -118.39 135.80 4.68 95.32 0.00 4.15 0.19 0.00 0.00 0.00 0.00 95.56 0.09 72 L E E 3.13 26.01 19.04 45.93 119.87 -162.51 -113.28 128.68 0.45 99.55 0.00 0.48 0.00 0.00 0.00 0.00 0.00 99.51 0.00 73 T E E 39.16 10.23 27.18 38.25 119.86 -164.00 -114.54 128.71 0.15 99.85 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.01 74 I E E 7.49 24.07 16.29 40.94 117.03 -165.43 -112.53 124.76 2.38 97.62 0.00 2.47 0.02 0.00 0.00 0.00 0.00 97.15 0.36 75 S C C 48.59 7.11 22.87 30.17 119.40 -162.96 -102.23 162.56 93.94 5.99 0.06 49.65 39.30 3.94 0.00 0.11 0.00 6.78 0.22 76 S C S 67.70 4.42 24.04 28.39 100.13 10.18 57.43 71.07 99.25 0.72 0.03 9.35 85.67 4.28 0.00 0.04 0.00 0.59 0.07 77 L C C 19.18 23.71 10.41 33.58 113.15 -142.19 -74.36 131.37 99.45 0.54 0.01 97.54 1.96 0.03 0.00 0.00 0.00 0.18 0.28 78 Q C C 81.31 4.53 23.77 28.16 130.29 -174.17 -125.04 155.07 99.89 0.10 0.01 99.45 0.45 0.00 0.00 0.00 0.00 0.02 0.07 79 P H G 72.40 12.17 15.04 27.55 90.98 -106.47 -58.30 -32.29 3.39 0.02 96.60 0.17 0.20 2.12 0.23 97.26 0.00 0.01 0.00 80 E H G 127.33 3.49 21.16 25.31 89.90 62.90 -69.94 -16.55 2.82 0.02 97.15 0.09 0.15 1.91 0.15 97.68 0.00 0.02 0.00 81 D H G 14.61 20.40 15.91 36.74 93.80 60.96 -87.71 -4.40 3.56 0.04 96.39 0.40 0.33 1.62 0.21 97.40 0.00 0.03 0.00 82 F C C 50.69 17.13 19.64 36.72 116.79 104.64 -77.56 136.29 90.13 9.67 0.20 86.62 3.56 0.11 0.02 0.18 0.00 9.22 0.30 83 A E E 14.78 16.09 22.79 38.80 144.66 148.70 -163.00 175.53 4.90 95.10 0.01 4.65 0.23 0.01 0.00 0.00 0.00 94.79 0.32 84 T E E 37.27 13.09 25.23 38.66 119.69 -88.76 -104.21 135.51 0.67 99.33 0.00 0.61 0.03 0.00 0.00 0.00 0.00 99.34 0.02 85 Y E E 7.75 24.94 19.64 44.73 124.77 -166.72 -117.14 139.21 0.40 99.60 0.00 0.34 0.02 0.00 0.00 0.00 0.00 99.63 0.01 86 Y E E 34.23 15.57 26.91 42.50 128.77 -167.37 -123.57 144.04 1.30 98.69 0.01 1.11 0.08 0.00 0.00 0.00 0.00 98.76 0.03 87 C E E 3.42 24.91 20.98 46.16 123.75 -160.52 -116.11 137.26 6.30 93.60 0.10 5.40 0.57 0.09 0.03 0.05 0.00 93.69 0.16 88 Q E E 39.17 13.73 25.50 39.29 125.12 -168.60 -119.86 137.85 5.22 94.60 0.18 4.58 0.42 0.10 0.07 0.08 0.00 94.48 0.27 89 Q E E 32.42 18.17 17.86 35.69 121.84 -156.88 -108.66 138.49 12.60 87.11 0.29 10.31 1.90 0.43 0.09 0.17 0.00 86.54 0.56 90 S E E 46.88 9.56 17.72 28.14 120.89 -159.66 -111.96 135.51 36.91 62.77 0.31 29.08 6.52 1.22 0.07 0.26 0.00 61.69 1.17 91 H C C 95.92 8.52 12.19 21.86 118.30 163.65 -115.35 144.84 72.40 26.84 0.76 35.71 27.30 9.74 0.11 0.74 0.00 24.44 1.96 92 S C S 91.60 1.52 14.24 15.79 101.70 -46.29 -86.96 -22.49 96.52 2.82 0.66 16.24 58.81 21.50 0.06 0.69 0.00 2.28 0.42 93 T C S 90.43 2.88 13.50 17.68 121.12 17.26 -114.89 135.84 95.53 3.93 0.54 19.22 62.99 13.31 0.05 0.58 0.00 3.32 0.54 94 P C C 75.74 7.45 14.87 23.46 114.25 -87.41 -68.62 147.14 77.87 21.78 0.36 57.35 15.80 3.12 0.05 0.38 0.00 22.51 0.80 95 F E E 65.83 15.38 13.71 29.15 117.65 -136.12 -98.19 135.15 40.99 58.91 0.10 36.96 2.23 0.33 0.02 0.07 0.00 59.84 0.55 96 I E E 69.13 10.61 20.92 31.97 122.97 -161.95 -116.77 134.87 7.18 92.79 0.03 6.58 0.42 0.05 0.01 0.02 0.00 90.99 1.94 97 F E E 50.54 19.04 16.48 34.68 119.84 -153.98 -105.09 134.84 13.38 86.56 0.05 11.83 1.19 0.12 0.02 0.03 0.00 84.42 2.39 98 G C C 17.18 12.81 18.20 31.48 125.58 -132.45 -83.38 172.61 68.94 31.00 0.06 54.42 12.18 0.67 0.01 0.07 0.00 32.11 0.54 99 P C C 88.21 5.41 22.66 28.23 104.97 -69.49 -69.77 126.88 80.54 19.37 0.09 61.81 15.52 1.37 0.01 0.10 0.00 20.82 0.38 100 G C C 16.89 18.43 16.37 33.48 128.09 -123.43 70.38 174.50 67.88 32.05 0.07 60.01 4.93 0.44 0.01 0.07 0.00 34.07 0.46 101 T E E 29.18 16.37 19.18 35.71 125.72 -106.83 -117.79 143.23 9.56 90.43 0.01 8.85 0.36 0.01 0.00 0.00 0.00 90.54 0.23 102 K E E 104.27 8.98 23.21 32.67 119.07 -140.14 -100.80 133.27 0.92 99.08 0.00 0.81 0.04 0.00 0.00 0.00 0.00 99.12 0.02 103 V E E 11.69 22.94 14.14 37.05 120.32 -164.48 -114.45 130.85 0.75 99.25 0.00 0.72 0.01 0.00 0.00 0.00 0.00 99.25 0.02 104 D E E 76.24 5.31 23.39 29.02 117.47 -156.96 -106.49 127.71 2.05 97.95 0.00 2.03 0.05 0.00 0.00 0.00 0.00 97.81 0.10 105 I E E 32.39 20.23 10.92 30.26 115.18 -156.45 -100.66 125.65 22.56 77.41 0.03 22.81 0.22 0.04 0.01 0.01 0.00 76.19 0.71 106 K C C 132.55 3.65 19.44 23.87 114.06 -160.27 -95.11 127.52 99.48 0.51 0.00 99.53 0.05 0.01 0.00 0.00 0.00 0.40 0.01