# 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 95.25 4.84 19.54 24.98 110.10 -162.16 -94.30 107.25 99.82 0.18 0.00 99.72 0.12 0.03 0.00 0.00 0.00 0.13 0.01 1 V C C 43.37 17.45 11.85 28.73 117.41 -153.44 -102.59 129.20 57.34 42.55 0.11 55.89 0.65 0.24 0.02 0.06 0.00 42.39 0.75 2 V E E 72.75 7.19 19.05 27.26 120.21 -166.54 -113.89 131.75 17.67 82.22 0.10 15.74 1.53 0.24 0.03 0.07 0.00 81.69 0.69 3 M E E 47.01 18.19 13.79 31.72 121.27 -159.59 -110.93 132.29 8.74 91.20 0.06 7.95 0.67 0.12 0.02 0.03 0.00 90.68 0.53 4 T E E 67.60 7.34 20.55 28.75 124.61 -170.90 -121.69 139.97 13.62 86.30 0.08 12.39 0.97 0.14 0.03 0.05 0.00 85.08 1.35 5 Q E E 63.23 16.42 13.67 29.49 126.06 -163.10 -119.09 140.69 44.82 55.06 0.12 36.42 7.57 0.45 0.02 0.10 0.00 54.21 1.22 6 T C C 77.55 5.91 18.72 25.53 120.18 -135.94 -100.60 143.78 79.94 19.97 0.09 54.92 23.65 0.70 0.01 0.09 0.00 19.93 0.69 7 P C C 70.15 8.41 16.62 25.86 113.97 -39.17 -69.44 148.31 88.93 10.91 0.15 64.33 21.80 1.65 0.02 0.18 0.00 11.64 0.39 8 L C C 66.75 14.09 14.73 28.77 102.04 -157.82 -90.86 -10.35 61.87 37.94 0.19 45.73 14.37 1.11 0.02 0.20 0.00 37.83 0.74 9 T E E 75.33 7.39 19.78 28.34 130.24 25.07 -132.69 143.15 17.11 82.84 0.05 15.14 1.54 0.11 0.01 0.04 0.00 82.72 0.45 10 L E E 33.43 18.38 14.91 33.02 128.55 -174.33 -133.42 140.15 2.38 97.62 0.00 2.15 0.16 0.01 0.00 0.00 0.00 97.59 0.09 11 S E E 68.29 5.23 23.23 29.24 116.66 -131.56 -90.01 135.31 2.43 97.57 0.01 2.26 0.11 0.01 0.00 0.00 0.00 97.55 0.07 12 V E E 13.34 21.95 13.04 34.72 135.24 177.85 -138.78 154.90 15.63 84.34 0.03 14.79 0.60 0.04 0.01 0.02 0.00 84.02 0.53 13 T E E 64.54 5.28 23.94 29.22 120.18 -124.87 -96.06 146.00 43.22 56.69 0.09 41.90 1.81 0.17 0.04 0.06 0.00 50.59 5.44 14 I C T 62.32 16.50 14.12 30.19 109.25 -91.46 -61.60 133.70 98.85 0.87 0.28 0.59 4.03 94.52 0.01 0.21 0.00 0.54 0.10 15 G C T 43.47 5.46 19.68 26.07 96.15 22.62 87.85 -5.77 99.61 0.24 0.14 0.71 5.03 93.93 0.01 0.13 0.00 0.17 0.03 16 Q C S 85.23 6.90 19.34 27.24 123.59 111.73 -93.39 146.90 97.18 2.79 0.04 36.70 60.92 0.20 0.01 0.03 0.00 1.68 0.47 17 P C C 77.10 8.11 19.74 28.50 116.12 -104.40 -67.54 147.00 95.17 4.82 0.01 94.72 0.89 0.04 0.00 0.01 0.00 4.10 0.24 18 A E E 8.32 23.40 14.26 37.52 127.97 -161.69 -123.81 147.28 6.84 93.15 0.01 6.49 0.27 0.01 0.00 0.01 0.00 92.47 0.74 19 S E E 54.61 8.26 25.62 34.49 123.38 -152.55 -118.59 137.26 1.05 98.94 0.00 1.02 0.04 0.00 0.00 0.00 0.00 98.86 0.08 20 I E E 6.63 25.67 16.49 42.67 124.62 -169.47 -123.96 133.62 4.33 95.66 0.01 4.10 0.20 0.01 0.00 0.00 0.00 95.51 0.17 21 S E E 41.44 9.32 26.94 36.75 125.25 -164.89 -115.53 143.21 24.95 75.02 0.02 23.20 0.80 0.05 0.00 0.01 0.00 75.77 0.18 22 C E E 5.02 25.70 16.77 42.80 132.38 -174.77 -136.32 146.97 31.99 67.95 0.06 29.38 1.60 0.12 0.01 0.04 0.00 68.29 0.55 23 K E E 86.49 8.75 27.29 36.81 127.45 -163.70 -127.29 141.34 13.92 85.88 0.20 12.34 1.05 0.17 0.13 0.10 0.00 75.85 10.36 24 S E E 11.92 23.40 15.39 38.26 123.41 -155.64 -106.12 146.87 39.45 59.31 1.24 35.81 2.60 0.64 0.60 0.72 0.00 55.47 4.16 25 S C C 44.97 9.17 21.18 30.83 115.09 -129.07 -86.70 156.07 70.23 19.54 10.23 52.53 13.28 4.86 2.93 7.14 0.01 17.14 2.12 26 Q C G 109.21 7.46 18.06 26.29 95.66 -107.29 -68.83 -22.32 48.30 7.25 44.45 15.54 15.07 21.02 6.90 34.75 0.05 5.35 1.32 27 S C G 69.03 5.54 20.31 26.33 95.89 64.57 -75.85 -10.89 47.07 7.61 45.32 17.48 11.51 20.51 6.66 36.60 0.02 6.10 1.11 28 L C G 24.98 20.23 15.05 34.60 97.99 63.65 -87.89 -8.22 45.15 12.79 42.06 23.30 12.12 12.94 5.98 33.57 0.04 10.30 1.75 29 L E B 47.44 16.33 14.80 30.98 121.74 88.20 -102.57 138.92 34.05 60.67 5.27 21.86 8.50 1.98 3.56 1.48 0.24 17.14 45.24 30 D C C 52.27 9.36 13.48 24.25 121.85 -133.48 -82.67 167.40 93.66 5.45 0.89 90.20 2.51 1.37 0.32 0.45 0.00 3.43 1.72 31 S C T 99.17 1.24 12.87 14.76 92.14 -97.96 -65.68 -21.18 97.32 1.34 1.35 3.40 8.12 85.91 0.25 1.00 0.00 1.06 0.27 32 D C T 106.53 1.84 14.75 16.67 93.88 58.20 -87.48 -0.44 98.71 0.22 1.07 1.41 8.64 88.81 0.13 0.81 0.00 0.13 0.06 33 G C S 33.10 9.09 13.36 23.71 96.29 -105.71 83.68 6.87 98.55 0.83 0.63 11.84 83.74 3.21 0.07 0.41 0.00 0.43 0.31 34 K C C 83.42 8.28 19.11 28.32 118.44 133.00 -89.03 139.24 94.14 5.70 0.16 80.80 12.23 1.08 0.03 0.16 0.00 4.75 0.95 35 T E E 17.95 20.78 16.81 37.25 121.87 -155.79 -111.00 137.28 23.35 76.51 0.14 19.83 2.41 0.25 0.07 0.09 0.00 65.58 11.77 36 Y E E 46.23 13.53 25.70 39.56 131.87 -173.00 -129.27 150.20 15.02 84.96 0.03 14.14 0.83 0.05 0.01 0.02 0.00 83.96 1.00 37 L E E 3.71 26.11 20.14 46.88 122.19 -154.81 -113.69 134.20 9.33 90.66 0.01 8.66 0.47 0.02 0.00 0.01 0.00 90.68 0.16 38 N E E 29.95 15.21 27.21 42.29 127.31 -170.62 -121.20 143.26 2.76 97.24 0.00 2.67 0.10 0.00 0.00 0.00 0.00 97.16 0.06 39 W E E 10.26 24.07 21.16 45.25 123.60 -160.19 -113.56 139.19 0.86 99.14 0.00 0.85 0.02 0.00 0.00 0.00 0.00 99.10 0.03 40 L E E 18.12 16.37 24.10 40.71 129.15 -171.27 -125.79 145.41 0.51 99.49 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.50 0.02 41 L E E 28.48 16.07 21.12 37.46 121.44 -153.02 -111.29 134.38 2.19 97.81 0.00 1.81 0.15 0.01 0.00 0.00 0.00 97.96 0.06 42 Q E E 49.99 13.54 16.69 31.01 118.31 -148.87 -106.73 131.53 23.79 76.20 0.01 21.71 1.24 0.05 0.00 0.01 0.00 75.91 1.08 43 R C C 99.13 7.78 15.25 24.41 119.60 -142.81 -89.24 146.53 97.27 2.70 0.03 95.78 1.70 0.14 0.01 0.02 0.00 1.98 0.38 44 P C T 98.46 4.68 11.79 18.48 109.32 -86.68 -58.55 134.91 99.74 0.08 0.18 0.26 3.03 96.47 0.00 0.17 0.00 0.05 0.02 45 G C T 69.78 0.23 13.03 10.17 94.41 18.30 83.18 -2.79 99.77 0.05 0.18 0.32 2.84 96.61 0.00 0.19 0.00 0.03 0.01 46 Q C S 86.23 5.81 9.17 17.13 129.04 97.00 -114.21 159.77 95.24 4.53 0.22 36.78 57.93 0.77 0.04 0.18 0.00 1.61 2.69 47 S C C 84.66 1.32 17.06 17.52 116.95 -97.59 -68.79 150.29 98.01 1.97 0.02 89.05 8.95 0.16 0.00 0.02 0.00 1.54 0.27 48 P C C 54.16 16.36 10.80 26.45 115.31 -97.98 -65.07 144.94 94.03 5.95 0.02 91.80 2.08 0.13 0.00 0.02 0.00 5.77 0.20 49 K E E 90.27 8.31 19.51 28.82 124.74 -159.50 -119.84 139.53 9.55 90.40 0.05 8.47 0.89 0.08 0.01 0.02 0.00 89.92 0.59 50 R E E 103.15 13.00 18.83 31.61 110.97 -114.83 -75.27 127.26 1.02 98.97 0.01 0.95 0.04 0.01 0.00 0.00 0.00 98.97 0.03 51 L E E 18.95 19.36 19.40 38.84 101.48 175.73 -96.54 -35.45 3.39 96.60 0.01 2.32 0.93 0.03 0.00 0.00 0.00 96.70 0.02 52 I E E 16.74 19.57 20.78 40.40 137.56 3.55 -147.23 143.40 0.60 99.39 0.00 0.50 0.05 0.00 0.00 0.00 0.00 99.44 0.01 53 Y E E 56.71 16.65 22.19 38.24 125.55 -169.93 -127.65 131.84 1.44 98.53 0.03 1.28 0.06 0.01 0.01 0.01 0.00 98.60 0.04 54 L E E 36.30 16.14 22.05 37.95 118.71 -163.89 -112.37 126.45 9.88 89.84 0.29 8.36 1.08 0.27 0.12 0.13 0.00 89.72 0.33 55 V E E 34.04 15.79 19.84 35.69 118.10 -167.39 -110.44 129.10 34.63 62.16 3.21 27.54 5.67 2.08 1.29 1.71 0.00 60.60 1.11 56 S C C 32.31 12.67 18.43 31.61 126.23 -161.43 -121.95 150.56 63.56 30.93 5.51 42.49 15.18 6.67 1.69 3.53 0.02 28.59 1.85 57 K C C 115.52 7.98 18.37 26.95 107.62 -136.87 -97.63 81.74 72.35 20.69 6.96 49.62 14.60 8.69 2.17 4.72 0.02 17.01 3.18 58 L C C 72.07 11.68 12.95 25.08 114.27 143.29 -95.22 133.34 79.16 13.34 7.50 53.27 14.58 11.52 2.38 5.05 0.01 9.81 3.39 59 D C C 97.80 5.01 14.15 20.64 108.53 -131.12 -92.14 107.85 85.72 8.28 6.00 48.11 20.16 17.96 1.36 4.53 0.00 5.12 2.75 60 S C T 71.88 5.80 13.24 20.36 103.99 -141.56 -90.67 18.91 92.18 3.04 4.78 25.64 28.22 38.73 0.83 3.74 0.00 1.75 1.10 61 G C S 51.82 4.11 15.40 20.58 101.85 -91.52 83.67 1.87 94.25 3.97 1.78 26.87 36.54 31.01 0.21 1.78 0.00 2.57 1.01 62 V C C 53.89 11.98 11.99 24.91 117.45 101.84 -101.31 130.34 86.19 13.15 0.66 53.93 31.01 1.94 0.22 0.49 0.00 6.63 5.78 63 P C C 64.30 8.71 16.06 25.82 108.81 -110.07 -67.06 146.25 85.20 9.60 5.21 54.12 13.94 16.88 0.98 4.69 0.00 7.33 2.05 64 D C C 80.22 10.73 16.62 27.41 102.77 -113.49 -77.78 36.84 83.98 9.04 6.97 42.37 20.11 22.02 0.95 6.30 0.01 6.87 1.37 65 R C C 96.41 10.82 19.44 30.41 109.87 110.46 -102.25 66.82 69.14 24.33 6.53 37.37 23.29 9.67 1.16 5.11 0.01 21.68 1.71 66 F E E 28.45 22.04 14.09 35.40 123.08 133.98 -112.38 136.65 26.25 72.63 1.12 21.54 4.41 1.15 0.49 0.69 0.00 69.65 2.08 67 T E E 69.32 6.87 23.55 31.56 131.43 -174.31 -133.52 151.36 11.92 87.83 0.25 10.50 1.21 0.25 0.12 0.11 0.00 86.71 1.09 68 G E E 20.75 18.54 15.44 32.85 139.56 161.55 -156.77 165.71 12.83 87.01 0.16 10.82 1.74 0.37 0.05 0.09 0.00 86.35 0.59 69 S E E 62.95 5.63 21.73 28.92 135.62 -161.14 -144.27 157.17 16.65 83.20 0.15 14.24 2.05 0.38 0.04 0.09 0.00 82.40 0.79 70 G E E 28.86 11.44 16.13 28.07 139.92 141.38 -160.80 168.15 33.37 66.42 0.22 24.32 9.02 1.32 0.04 0.21 0.00 63.72 1.37 71 S C C 73.66 3.86 21.26 25.84 121.43 -116.81 -126.80 131.91 61.15 38.28 0.58 44.35 14.06 3.59 0.11 0.61 0.00 34.20 3.09 72 G C S 30.65 11.65 18.68 30.16 108.98 -47.82 66.11 -127.11 97.47 1.63 0.90 3.74 57.08 36.83 0.03 0.92 0.00 1.17 0.22 73 T C S 55.55 14.21 17.03 31.13 98.09 -10.28 -99.93 -2.13 97.41 1.78 0.82 3.40 58.24 35.99 0.03 0.78 0.00 1.34 0.22 74 D C E 65.32 8.31 22.75 32.09 120.11 83.35 -108.60 128.95 50.55 48.95 0.49 27.28 21.69 3.56 0.06 0.58 0.00 43.96 2.87 75 F E E 7.93 24.93 15.78 41.08 128.46 -174.97 -126.35 142.79 29.76 70.22 0.02 27.51 1.18 0.10 0.00 0.02 0.00 70.53 0.65 76 T E E 36.00 10.16 27.30 38.50 122.93 -163.84 -119.52 133.97 9.42 90.58 0.00 8.50 0.34 0.01 0.00 0.00 0.00 91.02 0.12 77 L E E 3.18 26.28 18.51 45.72 119.08 -162.52 -111.88 127.80 0.65 99.35 0.00 0.66 0.01 0.00 0.00 0.00 0.00 99.32 0.01 78 K E E 79.22 9.13 27.42 37.11 118.71 -163.40 -113.58 126.40 0.25 99.75 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.70 0.02 79 I E E 6.93 24.72 16.06 41.40 117.11 -168.30 -113.82 123.80 4.23 95.77 0.00 4.52 0.04 0.00 0.00 0.00 0.00 94.62 0.82 80 S C S 44.49 7.36 23.28 30.84 128.73 -174.39 -115.88 157.38 91.22 8.75 0.03 42.54 45.42 1.87 0.00 0.04 0.00 9.95 0.18 81 R C S 145.81 3.62 23.95 27.56 95.26 10.35 57.57 53.17 98.18 1.81 0.01 6.00 90.06 2.15 0.00 0.01 0.00 1.68 0.09 82 V C C 12.35 24.55 10.63 34.89 114.98 -156.87 -77.71 135.44 98.67 1.32 0.01 97.93 1.10 0.02 0.00 0.00 0.00 0.64 0.31 83 E C C 81.89 4.82 24.98 29.55 133.16 -166.24 -126.77 161.73 97.08 2.88 0.05 97.77 0.22 0.01 0.01 0.01 0.00 0.53 1.45 84 A H G 48.98 14.78 15.43 29.98 91.00 -101.83 -58.84 -32.98 2.30 0.02 97.68 0.14 0.16 1.41 0.24 98.02 0.00 0.01 0.00 85 E H G 124.85 3.80 22.11 26.68 89.70 63.02 -70.20 -16.73 2.01 0.02 97.96 0.08 0.12 1.33 0.18 98.27 0.00 0.02 0.00 86 D H G 10.29 22.02 16.71 39.18 92.50 63.11 -83.65 -5.85 2.95 0.03 97.02 0.34 0.27 1.35 0.21 97.80 0.00 0.03 0.00 87 L C C 41.54 17.20 19.93 37.20 115.00 113.37 -69.46 137.53 98.14 1.84 0.03 95.66 2.64 0.07 0.00 0.02 0.00 1.53 0.09 88 G E E 11.06 10.99 24.56 37.59 141.30 78.19 147.42 -168.23 4.29 95.71 0.00 3.81 0.44 0.01 0.00 0.00 0.00 95.41 0.33 89 I E E 37.94 15.21 25.39 40.70 119.09 -41.86 -102.10 133.91 0.41 99.59 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 90 Y E E 5.59 25.52 21.48 47.16 122.95 -163.46 -114.79 137.24 0.23 99.76 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 91 Y E E 21.27 19.30 27.87 46.40 128.58 -168.97 -124.92 143.46 0.32 99.68 0.00 0.28 0.02 0.00 0.00 0.00 0.00 99.70 0.01 92 C E E 2.23 25.81 23.82 49.53 125.86 -160.79 -120.50 138.55 0.95 99.05 0.00 0.81 0.04 0.00 0.00 0.00 0.00 99.14 0.01 93 W E E 31.23 17.97 26.34 43.66 129.28 -170.81 -123.20 144.78 2.00 98.00 0.00 1.80 0.08 0.00 0.00 0.00 0.00 97.99 0.13 94 Q E E 30.47 18.92 21.56 39.66 125.50 -161.78 -117.97 140.24 18.53 81.42 0.06 15.55 2.41 0.26 0.01 0.04 0.00 81.25 0.49 95 G C C 16.20 13.97 19.41 33.41 129.02 126.62 -159.61 171.57 68.54 31.24 0.22 52.94 12.40 1.91 0.03 0.23 0.00 31.56 0.92 96 T C S 74.05 8.91 17.05 26.37 105.34 -123.96 -95.70 -16.91 90.40 8.82 0.78 21.33 51.66 17.63 0.08 0.84 0.00 7.25 1.21 97 H C S 122.79 4.89 17.09 22.64 103.14 20.95 -94.76 -6.88 96.77 2.41 0.82 11.30 62.06 23.53 0.06 0.84 0.00 1.69 0.52 98 F C S 99.58 7.54 13.47 22.48 122.40 31.99 -120.25 135.47 94.78 4.43 0.78 18.31 69.40 7.32 0.10 0.71 0.00 3.08 1.09 99 P C C 80.92 4.93 17.80 23.38 114.03 -69.73 -68.87 150.11 91.39 7.73 0.88 52.97 28.87 9.37 0.09 1.03 0.00 6.97 0.70 100 Q C C 74.56 14.97 14.94 29.44 114.13 -106.97 -75.11 137.60 67.84 31.47 0.69 56.64 6.85 2.39 0.08 0.67 0.00 32.52 0.84 101 T E E 45.80 12.69 20.19 33.14 127.56 -170.58 -124.18 142.87 15.79 84.00 0.20 13.92 1.42 0.34 0.08 0.14 0.00 80.52 3.58 102 F E E 62.46 18.19 18.29 35.46 119.91 -146.46 -102.71 134.34 13.40 86.46 0.14 11.18 1.62 0.32 0.06 0.09 0.00 82.59 4.14 103 G C E 18.60 15.71 19.51 34.39 119.89 -150.08 -91.93 -156.71 52.34 47.52 0.14 39.16 11.12 1.51 0.02 0.13 0.00 47.25 0.79 104 G C C 37.54 9.33 23.21 32.04 107.53 -84.45 -75.45 9.29 68.77 31.12 0.10 57.09 8.69 0.83 0.01 0.10 0.00 32.85 0.43 105 G C C 16.58 18.62 17.16 34.44 129.98 -136.88 70.74 174.25 57.82 42.12 0.06 52.31 3.35 0.24 0.00 0.05 0.00 43.57 0.47 106 T E E 31.10 15.94 20.21 36.14 128.40 -108.61 -123.32 146.07 8.37 91.62 0.01 7.70 0.35 0.02 0.00 0.00 0.00 91.64 0.28 107 R E E 116.52 9.57 23.31 33.25 119.44 -136.27 -99.24 134.51 1.21 98.79 0.00 1.05 0.06 0.00 0.00 0.00 0.00 98.84 0.04 108 L E E 11.86 23.29 14.76 38.03 121.68 -163.42 -114.07 132.67 1.32 98.67 0.00 1.26 0.03 0.00 0.00 0.00 0.00 98.69 0.02 109 E E E 93.34 5.90 23.89 30.20 119.06 -157.57 -107.52 131.41 1.97 98.03 0.00 1.95 0.05 0.00 0.00 0.00 0.00 97.88 0.11 110 I E E 29.61 20.40 11.11 30.79 115.38 -151.44 -99.05 126.65 17.12 82.85 0.03 17.50 0.21 0.03 0.01 0.01 0.00 81.47 0.77 111 K C C 129.98 3.93 19.46 24.23 113.59 -155.51 -95.10 129.35 99.49 0.51 0.00 99.54 0.05 0.01 0.00 0.00 0.00 0.38 0.01