# 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 Q C C 110.56 5.38 20.31 26.44 117.39 -144.04 -93.93 132.67 99.53 0.47 0.00 99.49 0.10 0.02 0.00 0.00 0.00 0.39 0.01 1 I E E 40.76 19.38 11.85 30.40 117.83 -152.54 -102.14 129.62 49.73 50.19 0.08 49.11 0.43 0.12 0.01 0.04 0.00 49.67 0.61 2 V E E 71.05 6.49 20.80 28.17 119.31 -165.07 -114.55 129.11 12.23 87.64 0.12 11.32 0.84 0.17 0.05 0.08 0.00 86.70 0.85 3 L E E 42.68 19.30 13.22 31.78 118.35 -155.38 -102.39 129.92 11.15 88.73 0.12 10.31 0.70 0.16 0.04 0.07 0.00 87.88 0.83 4 S E E 54.41 7.47 19.93 28.12 122.92 -172.81 -118.67 144.45 27.98 71.78 0.25 23.68 3.33 0.59 0.05 0.19 0.00 71.12 1.03 5 Q C E 78.91 12.96 15.09 28.13 128.09 -152.48 -123.62 142.58 58.22 41.52 0.26 39.56 17.79 1.44 0.04 0.25 0.00 39.72 1.18 6 S C C 60.19 8.11 16.94 26.09 121.04 -138.87 -103.72 143.50 82.67 17.20 0.12 49.87 31.45 1.23 0.02 0.13 0.00 16.48 0.82 7 P C C 64.92 8.55 16.74 26.17 114.26 3.13 -70.89 150.26 90.01 9.80 0.19 52.40 33.57 3.22 0.02 0.23 0.00 10.16 0.39 8 T C E 62.24 12.45 16.22 28.75 101.06 -148.66 -88.55 -15.04 56.56 43.19 0.25 39.87 14.09 1.90 0.03 0.28 0.00 43.22 0.62 9 I E E 83.26 9.58 18.87 29.09 124.56 42.33 -120.72 132.87 13.50 86.46 0.04 12.02 1.20 0.11 0.01 0.03 0.00 86.30 0.34 10 L E E 32.41 18.37 16.35 34.44 127.22 -173.53 -124.87 139.57 2.10 97.90 0.00 1.93 0.10 0.00 0.00 0.00 0.00 97.87 0.09 11 S E E 59.40 8.49 23.27 32.62 126.09 -162.30 -119.53 140.35 2.20 97.80 0.00 1.99 0.13 0.01 0.00 0.00 0.00 97.78 0.09 12 A E E 10.31 20.38 14.79 35.24 136.31 174.52 -142.20 156.54 18.57 81.42 0.01 17.43 0.79 0.03 0.00 0.01 0.00 81.01 0.73 13 S C C 51.81 5.38 23.64 28.85 123.64 -116.39 -89.53 158.49 92.91 7.05 0.04 91.08 1.95 0.15 0.01 0.02 0.00 6.25 0.54 14 P C T 60.70 13.85 14.61 28.53 109.60 -79.48 -59.62 135.55 99.25 0.37 0.38 0.32 3.01 96.13 0.02 0.25 0.00 0.20 0.07 15 G C T 48.17 3.72 19.56 23.98 95.70 22.48 88.99 -6.28 99.49 0.22 0.29 0.52 3.31 95.76 0.01 0.23 0.00 0.15 0.03 16 E C C 79.26 9.14 16.65 26.96 121.57 122.03 -82.00 148.65 92.11 7.68 0.20 73.59 18.22 0.50 0.03 0.19 0.00 6.69 0.77 17 K C C 117.14 7.72 19.29 28.30 119.90 -128.02 -95.49 137.09 59.70 40.28 0.02 59.05 0.64 0.04 0.00 0.01 0.00 39.68 0.57 18 V E E 12.82 21.93 14.62 36.47 128.28 -169.63 -127.21 142.43 1.50 98.50 0.00 1.51 0.02 0.00 0.00 0.00 0.00 98.38 0.09 19 T E E 62.79 8.23 24.45 33.21 120.49 -152.94 -113.53 131.93 0.59 99.41 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.42 0.01 20 M E E 7.39 24.89 16.52 41.75 122.44 -168.90 -117.57 132.57 3.31 96.69 0.00 3.01 0.12 0.01 0.00 0.00 0.00 96.81 0.05 21 T E E 50.31 8.99 26.65 36.19 122.63 -163.42 -113.64 135.00 14.72 85.28 0.00 13.67 0.38 0.01 0.00 0.00 0.00 85.85 0.08 22 C E E 4.13 25.59 16.01 42.09 128.82 -173.01 -129.39 143.70 14.77 85.22 0.01 13.73 0.55 0.02 0.00 0.01 0.00 85.47 0.21 23 R E E 107.22 6.59 27.15 34.61 124.28 -166.36 -125.97 135.50 5.43 94.54 0.03 5.06 0.28 0.03 0.01 0.01 0.00 93.28 1.33 24 A E E 9.10 24.03 12.86 36.46 124.08 -167.94 -112.67 139.46 24.28 75.57 0.14 22.68 1.37 0.20 0.04 0.10 0.00 73.83 1.78 25 N C C 92.70 4.94 21.67 26.77 106.71 -155.38 -92.03 42.87 78.30 21.04 0.66 52.75 21.40 3.64 0.08 0.74 0.00 20.34 1.06 26 S C S 62.41 5.42 19.66 25.46 127.16 14.70 -125.33 3.72 91.38 5.88 2.73 11.75 48.27 31.54 0.15 2.80 0.00 4.82 0.67 27 S C C 69.18 6.05 20.54 27.06 107.45 -55.64 -89.67 96.31 92.78 5.12 2.10 33.90 29.21 29.49 0.12 2.59 0.00 4.14 0.56 28 V C C 23.65 20.76 13.68 33.69 122.27 147.18 -108.32 137.79 80.36 18.70 0.93 66.54 10.68 2.50 0.15 0.99 0.00 16.88 2.27 29 G C S 31.68 8.56 23.44 32.44 100.13 -173.63 -90.48 -30.40 80.99 18.87 0.15 30.97 47.61 1.81 0.01 0.15 0.00 18.99 0.45 30 F E E 53.93 12.05 24.46 37.03 135.05 10.22 -147.75 145.05 20.43 79.48 0.09 15.24 4.44 0.49 0.01 0.09 0.00 79.39 0.34 31 M E E 5.96 25.71 18.91 44.87 127.17 -168.00 -129.28 135.55 2.49 97.51 0.00 2.27 0.13 0.01 0.00 0.00 0.00 97.53 0.07 32 H E E 35.61 15.42 27.76 43.06 127.68 -170.55 -126.14 141.15 0.40 99.60 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.00 33 W E E 9.82 24.11 22.28 46.20 124.15 -159.41 -112.35 137.04 0.49 99.51 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.53 0.00 34 C E E 11.37 17.32 23.86 41.34 132.84 -174.81 -130.24 151.67 0.81 99.19 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.24 0.03 35 Q E E 38.48 15.09 21.87 37.11 123.75 -150.76 -114.14 138.31 2.55 97.45 0.00 2.14 0.18 0.01 0.00 0.00 0.00 97.57 0.11 36 Q E E 50.27 14.30 15.93 30.72 118.06 -141.65 -101.37 135.76 26.29 73.70 0.02 24.31 1.29 0.06 0.00 0.01 0.00 72.91 1.41 37 K C C 96.35 6.46 15.54 23.29 118.71 -138.55 -83.82 148.89 97.64 2.32 0.04 95.17 2.51 0.23 0.01 0.03 0.00 1.64 0.39 38 P C T 107.39 3.30 11.50 16.80 109.48 -86.01 -58.87 135.29 99.58 0.13 0.29 0.51 4.31 94.79 0.01 0.27 0.00 0.08 0.03 39 G C T 69.79 0.23 12.86 10.05 95.70 19.00 83.26 -2.76 99.61 0.09 0.30 0.66 4.40 94.54 0.01 0.32 0.00 0.06 0.02 40 S C S 52.97 6.04 8.96 17.03 129.83 97.77 -112.79 165.50 95.65 4.06 0.29 37.90 56.88 1.07 0.05 0.23 0.00 1.48 2.38 41 S C C 84.49 1.43 16.83 17.57 116.95 -95.40 -74.78 149.85 98.03 1.94 0.02 84.53 13.55 0.18 0.00 0.02 0.00 1.40 0.30 42 P C C 55.54 16.35 10.52 26.03 115.12 -102.57 -66.14 145.63 87.50 12.47 0.03 84.54 2.76 0.18 0.00 0.03 0.00 11.81 0.68 43 K E E 101.91 6.73 19.92 27.64 123.98 -155.00 -116.63 137.92 14.42 85.54 0.04 12.57 1.75 0.09 0.01 0.03 0.00 84.21 1.33 44 P E E 61.69 13.61 18.02 31.46 112.68 -109.29 -67.52 138.71 4.33 95.65 0.01 4.10 0.21 0.01 0.00 0.00 0.00 95.55 0.13 45 W E E 39.21 18.19 19.83 37.80 102.15 175.15 -98.13 -34.26 10.28 89.69 0.03 5.73 4.67 0.14 0.00 0.02 0.00 89.38 0.06 46 I E E 15.50 20.77 20.62 41.15 134.14 6.66 -145.75 141.70 1.04 98.96 0.01 0.85 0.11 0.01 0.00 0.00 0.00 98.98 0.05 47 Y E E 61.08 16.43 22.47 38.07 126.59 -171.51 -128.82 135.69 3.46 96.49 0.05 3.01 0.23 0.05 0.02 0.02 0.00 96.47 0.20 48 A E E 22.76 17.06 20.40 37.04 119.27 -168.65 -113.15 130.70 35.98 63.20 0.82 26.63 8.41 1.52 0.27 0.49 0.00 61.94 0.73 49 T C C 44.36 13.52 19.06 32.56 118.29 158.22 -113.96 141.53 63.19 23.95 12.86 35.53 19.42 10.28 4.28 7.64 0.08 20.59 2.20 50 S C S 63.94 8.03 18.96 27.16 99.90 -102.88 -82.05 -10.97 66.58 6.26 27.16 20.38 24.35 24.06 10.73 14.40 0.20 3.82 2.06 51 N C C 92.05 6.63 18.77 25.94 104.48 42.25 -96.83 23.71 63.61 7.25 29.14 27.90 16.59 20.68 12.67 15.23 0.15 4.16 2.61 52 L C C 49.12 17.67 12.56 28.99 106.92 124.22 -83.85 92.85 58.80 9.17 32.04 36.09 11.05 11.81 17.23 14.83 0.09 5.52 3.38 53 A C C 59.76 8.74 15.70 25.12 106.52 69.82 -81.60 71.39 61.48 10.06 28.46 31.88 12.33 18.14 13.85 13.75 0.15 5.85 4.04 54 S C T 77.02 4.65 16.20 21.95 104.17 13.70 -86.65 65.87 76.99 3.74 19.27 13.79 15.79 47.43 7.65 11.22 0.08 2.16 1.88 55 G C T 50.91 4.46 16.76 22.31 100.89 -50.61 85.62 0.66 92.11 2.58 5.30 18.01 24.63 49.90 1.15 3.86 0.00 1.62 0.84 56 V C C 43.50 15.50 12.43 28.11 117.16 117.96 -99.69 129.27 84.80 14.31 0.89 50.34 33.10 2.29 0.34 0.59 0.00 6.02 7.33 57 P C C 68.30 7.68 19.74 27.97 110.02 -109.28 -67.52 143.64 90.38 7.81 1.81 59.10 18.50 12.70 0.34 1.73 0.00 6.04 1.59 58 G C C 28.83 15.74 16.16 30.80 104.23 -125.86 -77.06 21.42 84.29 13.35 2.36 45.22 24.64 15.04 0.30 2.32 0.00 11.09 1.38 59 R C C 108.48 9.49 21.75 31.38 115.31 107.10 -111.61 115.32 60.63 37.54 1.83 41.61 14.99 3.98 0.36 1.48 0.00 35.75 1.83 60 F E E 31.22 22.72 13.97 35.82 125.23 -162.04 -114.21 141.17 18.01 81.82 0.17 16.06 1.82 0.27 0.06 0.10 0.00 80.34 1.34 61 S E E 56.18 6.40 24.22 31.90 134.77 -177.14 -136.69 155.44 6.42 93.51 0.07 5.73 0.54 0.08 0.02 0.03 0.00 93.15 0.45 62 G E E 23.96 18.22 15.21 32.28 141.06 172.28 -156.32 166.52 7.05 92.90 0.05 5.98 0.82 0.11 0.01 0.02 0.00 92.73 0.32 63 S E E 64.41 4.80 21.71 28.12 135.13 -163.87 -145.44 157.50 11.67 88.26 0.07 9.94 1.35 0.19 0.01 0.04 0.00 87.99 0.47 64 G E E 31.87 11.54 14.77 26.92 138.82 143.47 -158.87 173.68 28.19 71.68 0.12 20.32 7.81 0.98 0.02 0.13 0.00 69.76 0.97 65 S C C 79.98 2.73 19.89 23.05 112.32 -123.41 -115.87 72.94 59.19 40.52 0.29 44.84 12.10 2.12 0.05 0.32 0.00 38.23 2.34 66 G C S 39.87 7.84 18.42 26.62 107.82 -53.57 65.42 -116.39 98.56 0.98 0.46 2.27 56.69 39.76 0.02 0.44 0.00 0.72 0.11 67 T C S 63.36 12.67 16.51 29.28 98.57 -6.36 -100.77 -0.62 98.72 0.92 0.36 1.97 57.63 39.28 0.01 0.32 0.00 0.70 0.09 68 S E E 39.00 9.98 21.53 32.56 126.03 78.76 -114.44 140.05 37.42 62.47 0.12 25.25 12.18 1.07 0.02 0.14 0.00 59.15 2.19 69 Y E E 12.67 23.62 16.53 40.21 132.13 -175.48 -134.36 146.82 12.82 87.17 0.01 12.02 0.49 0.03 0.00 0.01 0.00 86.96 0.49 70 S E E 28.41 11.05 26.95 38.88 127.18 -167.08 -125.80 141.75 5.09 94.91 0.00 4.28 0.36 0.01 0.00 0.00 0.00 95.28 0.07 71 L E E 3.34 26.15 18.68 45.66 121.54 -161.13 -116.16 129.75 0.46 99.54 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.56 0.00 72 T E E 42.52 9.75 27.31 37.90 119.28 -163.95 -114.45 128.43 0.14 99.86 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.01 73 I E E 7.70 24.20 16.45 41.18 118.07 -166.59 -113.03 122.98 1.62 98.38 0.00 1.74 0.02 0.00 0.00 0.00 0.00 97.81 0.44 74 S C S 45.62 7.29 22.92 30.50 126.87 -171.38 -111.45 158.60 88.93 11.05 0.02 38.85 46.94 1.56 0.00 0.04 0.00 12.44 0.17 75 R C S 148.52 3.35 23.79 27.15 94.56 9.35 56.68 52.07 98.32 1.67 0.01 6.25 89.90 2.16 0.00 0.01 0.00 1.60 0.08 76 V C C 13.45 24.29 10.21 34.03 115.25 -156.12 -77.67 136.36 98.88 1.11 0.01 98.28 0.93 0.01 0.00 0.00 0.00 0.50 0.28 77 E C C 86.10 4.31 24.53 28.43 131.19 -172.07 -121.89 160.30 98.48 1.49 0.03 98.62 0.18 0.00 0.01 0.00 0.00 0.18 0.99 78 A H G 52.24 13.75 14.95 28.66 91.22 -102.29 -58.69 -34.87 2.65 0.01 97.34 0.15 0.17 1.85 0.61 97.21 0.00 0.01 0.00 79 E H G 129.57 3.27 21.64 25.39 89.92 61.90 -69.10 -19.20 2.27 0.02 97.71 0.07 0.13 1.73 0.41 97.65 0.00 0.01 0.00 80 D H G 17.50 19.88 16.69 36.80 93.49 60.02 -86.26 -5.43 3.31 0.03 96.67 0.35 0.31 1.80 0.52 97.00 0.00 0.02 0.00 81 A C C 24.78 17.64 18.98 36.69 114.82 111.58 -71.28 136.73 98.47 1.46 0.07 96.26 2.30 0.09 0.01 0.04 0.00 1.22 0.09 82 A E E 18.10 14.76 23.50 38.29 145.44 126.16 -166.89 175.05 7.42 92.58 0.01 7.05 0.38 0.02 0.00 0.00 0.00 91.78 0.76 83 T E E 40.71 12.69 25.30 38.28 119.53 -81.88 -102.17 136.21 0.90 99.10 0.00 0.84 0.03 0.00 0.00 0.00 0.00 99.10 0.03 84 Y E E 6.84 25.41 19.25 44.92 124.92 -165.97 -118.20 139.04 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.01 85 Y E E 36.02 15.48 27.41 42.93 128.39 -169.57 -123.15 142.96 0.87 99.13 0.00 0.78 0.04 0.00 0.00 0.00 0.00 99.16 0.02 86 C E E 2.61 25.73 21.18 47.30 123.79 -160.26 -115.93 137.20 3.86 96.13 0.02 3.51 0.18 0.01 0.00 0.02 0.00 96.20 0.08 87 Q E E 33.77 14.55 26.37 40.94 128.73 -171.26 -124.87 142.44 2.60 97.38 0.02 2.33 0.13 0.01 0.00 0.01 0.00 97.39 0.12 88 Q E E 24.00 19.44 19.21 38.35 122.42 -155.05 -112.33 137.22 4.61 95.35 0.03 3.83 0.56 0.07 0.00 0.02 0.00 95.36 0.16 89 W E E 93.12 11.01 18.86 30.59 116.65 -151.47 -102.40 128.29 19.38 80.52 0.10 15.79 3.13 0.42 0.02 0.09 0.00 79.65 0.91 90 S C C 39.46 10.15 12.67 24.01 128.26 167.06 -126.18 171.51 61.78 37.99 0.24 50.65 8.57 1.34 0.04 0.24 0.00 37.82 1.35 91 S C S 91.71 1.79 14.41 16.60 97.91 -90.24 -75.20 -19.00 98.44 1.18 0.39 4.72 64.04 29.81 0.02 0.36 0.00 0.90 0.15 92 D C S 107.98 1.99 13.42 16.30 118.39 33.54 -117.65 128.49 98.53 1.14 0.34 5.14 72.42 21.09 0.02 0.32 0.00 0.83 0.19 93 P C C 82.25 4.17 16.11 21.17 117.44 -29.39 -76.29 150.73 77.41 22.39 0.20 43.39 31.90 2.34 0.03 0.22 0.00 20.94 1.18 94 P C C 47.84 16.14 12.51 28.34 114.64 -103.03 -67.70 143.72 59.28 40.64 0.08 54.30 2.47 0.37 0.01 0.07 0.00 42.29 0.48 95 T E E 53.79 10.26 20.48 31.30 124.48 -160.19 -118.70 141.38 8.75 91.20 0.04 7.72 0.64 0.09 0.01 0.03 0.00 88.31 3.20 96 F E E 68.80 17.78 17.42 34.17 117.34 -134.95 -93.85 135.36 12.36 87.58 0.07 10.69 1.27 0.20 0.02 0.04 0.00 85.99 1.80 97 G C E 18.61 14.52 18.62 32.96 122.25 -152.10 -87.63 -33.61 57.12 42.70 0.18 41.00 13.01 1.91 0.02 0.19 0.00 43.21 0.66 98 S C C 64.45 7.55 22.63 30.09 105.66 -80.22 -83.96 13.09 68.29 31.52 0.19 50.84 14.17 1.68 0.02 0.21 0.00 32.45 0.63 99 G C C 16.05 17.71 18.07 34.61 130.95 -141.21 91.82 173.02 59.33 40.59 0.09 51.36 5.34 0.45 0.01 0.08 0.00 42.30 0.46 100 T E E 27.93 17.48 19.51 36.68 128.01 -122.74 -120.56 144.00 11.21 88.77 0.01 10.41 0.48 0.03 0.00 0.01 0.00 88.75 0.32 101 K E E 96.94 9.96 23.94 34.04 120.39 -142.68 -102.79 134.10 1.24 98.75 0.00 1.12 0.06 0.00 0.00 0.00 0.00 98.76 0.05 102 L E E 10.87 23.66 15.07 38.82 120.08 -160.57 -111.42 131.54 1.09 98.90 0.00 1.06 0.03 0.00 0.00 0.00 0.00 98.88 0.03 103 E E E 88.89 6.29 24.12 30.76 119.44 -160.68 -110.79 129.60 2.21 97.78 0.01 2.19 0.07 0.01 0.00 0.00 0.00 97.58 0.14 104 I E E 30.43 20.17 11.51 31.02 115.64 -152.90 -99.33 126.26 18.07 81.90 0.04 18.35 0.22 0.03 0.01 0.01 0.00 80.55 0.82 105 K C C 126.18 4.31 19.39 24.58 114.65 -157.34 -99.15 130.40 99.44 0.55 0.00 99.50 0.05 0.01 0.00 0.00 0.00 0.43 0.01