# 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 M C C 76.21 12.93 17.51 30.19 118.95 -158.61 -103.59 129.81 99.91 0.09 0.00 99.85 0.06 0.03 0.00 0.00 0.00 0.05 0.01 1 H C C 106.70 8.15 21.00 29.15 108.92 -138.74 -89.94 112.03 91.42 8.40 0.18 89.32 2.03 0.99 0.06 0.08 0.00 4.81 2.71 2 V C C 12.19 23.77 11.02 34.13 119.81 147.26 -102.38 135.26 82.44 17.45 0.11 79.22 2.94 0.11 0.06 0.04 0.00 5.21 12.41 3 K C C 104.22 4.12 23.55 27.80 129.59 -163.22 -117.03 157.23 97.37 2.59 0.04 97.54 0.46 0.04 0.01 0.01 0.00 0.73 1.21 4 K C T 122.08 8.70 15.17 25.13 110.19 -84.52 -59.74 135.30 99.56 0.32 0.12 0.12 0.92 98.70 0.00 0.06 0.00 0.15 0.04 5 G C T 43.48 4.07 19.50 24.48 95.89 25.72 89.77 -6.78 99.91 0.06 0.03 0.13 1.01 98.80 0.00 0.02 0.00 0.04 0.00 6 D C C 32.40 14.53 15.02 30.68 117.58 134.71 -69.98 145.35 98.13 1.86 0.00 97.46 0.79 0.02 0.00 0.00 0.00 1.66 0.06 7 K E E 101.55 7.44 24.18 32.11 115.73 -124.05 -86.86 132.48 2.39 97.60 0.01 2.47 0.07 0.00 0.01 0.00 0.00 96.30 1.13 8 V E E 3.88 25.44 15.96 41.98 133.32 -174.24 -134.48 153.87 1.31 98.69 0.01 1.19 0.06 0.01 0.00 0.00 0.00 98.70 0.04 9 K E E 74.57 8.96 26.50 36.24 120.90 -133.95 -109.74 135.52 1.92 98.04 0.05 1.74 0.13 0.05 0.01 0.03 0.00 97.93 0.11 10 V E E 11.94 21.88 15.70 38.16 109.67 -120.19 -76.82 123.63 16.11 83.78 0.11 15.93 0.48 0.07 0.04 0.05 0.00 82.33 1.09 11 I C C 58.17 9.99 20.94 31.94 99.73 176.44 -98.15 -26.78 91.05 8.63 0.32 59.89 28.13 2.97 0.04 0.35 0.00 8.02 0.60 12 T C S 61.70 4.70 21.73 27.10 140.08 11.36 -152.27 159.02 95.93 3.53 0.54 8.64 81.57 6.20 0.07 0.41 0.00 2.11 0.99 13 G C S 38.50 4.06 18.23 23.41 126.70 32.54 92.38 -163.17 94.95 1.33 3.72 6.14 78.92 10.28 0.37 2.79 0.00 0.52 0.97 14 K C T 158.52 2.03 17.93 20.29 93.41 -44.49 -70.03 -22.76 90.56 0.81 8.63 1.58 20.16 68.69 0.33 8.34 0.00 0.41 0.49 15 D C T 38.87 15.03 12.32 27.77 96.55 51.09 -99.28 11.24 92.70 0.81 6.48 4.59 11.01 75.84 0.34 7.35 0.00 0.50 0.37 16 K C T 104.64 10.16 13.53 25.09 110.82 133.71 -61.58 132.23 97.70 0.76 1.54 1.45 2.36 94.15 0.17 1.15 0.00 0.35 0.37 17 G C T 52.45 3.09 19.26 22.81 94.23 20.71 85.60 -1.96 98.88 0.51 0.60 1.23 2.84 94.89 0.04 0.54 0.00 0.40 0.06 18 K C C 84.68 9.58 17.63 28.29 121.65 124.72 -81.72 149.28 96.54 3.34 0.12 90.86 5.04 0.57 0.02 0.12 0.00 3.14 0.25 19 S E E 58.53 9.88 20.16 30.95 129.36 -150.41 -119.42 149.86 9.45 90.52 0.03 8.92 0.63 0.05 0.02 0.01 0.00 87.46 2.91 20 G E E 10.48 13.68 21.21 35.77 144.48 140.31 -168.50 -173.97 2.47 97.53 0.01 1.95 0.36 0.02 0.00 0.00 0.00 97.63 0.04 21 K E E 88.06 7.84 25.80 34.51 120.71 -74.65 -101.67 138.48 0.77 99.23 0.00 0.68 0.03 0.00 0.00 0.00 0.00 99.28 0.01 22 V E E 5.76 24.91 14.61 40.57 109.29 -115.98 -74.50 124.88 0.97 99.03 0.00 0.95 0.02 0.00 0.00 0.00 0.00 99.02 0.02 23 L E E 65.41 8.43 23.56 32.74 100.46 175.77 -95.83 -32.10 2.68 97.31 0.00 1.56 0.81 0.02 0.00 0.00 0.00 97.60 0.01 24 A E E 40.84 7.08 25.85 34.07 141.41 0.21 -156.90 152.62 0.48 99.52 0.00 0.32 0.05 0.00 0.00 0.00 0.00 99.62 0.00 25 A E E 20.58 22.03 14.37 35.62 125.07 -161.70 -128.50 132.60 0.81 99.19 0.00 0.68 0.04 0.00 0.00 0.00 0.00 99.25 0.02 26 F E E 57.32 8.01 18.93 28.94 110.39 -163.25 -113.32 103.48 7.27 92.71 0.02 6.66 0.40 0.03 0.01 0.01 0.00 92.50 0.40 27 P C T 70.04 10.38 13.47 25.15 93.68 -175.43 -64.83 -31.62 57.02 1.06 41.93 1.92 3.06 48.52 0.40 45.15 0.00 0.83 0.11 28 K C T 167.42 0.69 16.17 15.17 92.97 53.96 -68.35 -34.11 58.70 0.34 40.96 0.94 2.42 52.33 0.44 43.59 0.00 0.21 0.07 29 K C T 116.66 3.79 15.93 20.30 97.68 32.72 -98.73 -3.48 60.14 0.14 39.72 1.00 2.71 52.23 0.36 43.58 0.00 0.08 0.04 30 D C T 61.36 12.40 15.36 28.57 94.93 -126.59 56.36 43.54 99.67 0.10 0.23 2.54 2.28 94.92 0.02 0.15 0.00 0.07 0.01 31 R E E 59.83 11.80 21.73 34.31 135.18 126.81 -132.60 156.15 3.09 96.91 0.00 2.48 0.26 0.02 0.00 0.00 0.00 97.14 0.09 32 V E E 4.27 24.49 18.28 43.61 122.37 -146.42 -117.47 133.53 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 33 L E E 35.53 11.36 26.38 38.82 117.91 -152.52 -106.48 128.16 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 34 I E E 7.01 24.23 16.69 41.41 118.53 -166.84 -112.65 126.25 0.40 99.60 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.64 0.01 35 E E E 93.66 7.24 23.18 30.74 118.15 -148.64 -89.33 142.14 17.96 81.84 0.21 6.40 4.28 7.67 0.01 0.21 0.00 81.24 0.18 36 G C S 36.53 6.11 21.88 28.76 97.33 18.80 78.06 10.46 70.20 29.50 0.29 14.11 31.74 22.04 0.01 0.33 0.00 31.46 0.31 37 I C C 27.18 21.76 12.67 33.35 111.33 139.57 -89.66 126.38 61.52 37.72 0.76 49.37 8.12 2.87 0.09 0.77 0.00 37.88 0.89 38 N E E 78.28 7.99 21.12 29.34 109.16 -146.19 -98.62 88.34 49.04 50.25 0.71 34.36 10.43 4.29 0.08 0.71 0.00 49.26 0.86 39 M E E 72.58 13.21 15.71 29.14 119.12 -152.88 -99.89 131.95 21.98 77.73 0.29 18.31 3.25 0.56 0.07 0.21 0.00 76.57 1.03 40 V E E 58.12 11.01 15.17 27.23 124.50 -170.01 -120.44 138.41 8.82 91.04 0.14 7.83 0.83 0.17 0.05 0.08 0.00 90.49 0.54 41 K E E 116.60 7.34 14.99 23.76 117.14 -139.09 -97.90 131.13 9.34 90.39 0.27 8.06 0.99 0.29 0.10 0.16 0.00 89.92 0.47 42 K E E 104.11 7.75 13.31 22.52 121.68 -162.57 -109.30 137.88 20.06 78.58 1.36 16.09 3.15 1.06 0.38 0.91 0.00 77.70 0.70 43 H E E 115.49 6.32 12.06 20.03 115.76 -135.75 -97.22 131.94 36.49 62.69 0.83 29.46 6.17 1.32 0.20 0.63 0.00 60.92 1.29 44 T C C 68.09 7.23 11.31 20.19 120.89 -161.25 -108.98 141.97 63.64 35.51 0.85 53.18 8.95 1.11 0.23 0.70 0.00 33.04 2.79 45 K C C 136.42 3.11 12.71 17.35 115.13 -116.36 -83.23 137.98 90.99 8.20 0.81 81.66 8.10 1.16 0.27 0.53 0.00 7.16 1.13 46 P C C 75.18 7.03 9.22 17.82 109.90 -106.71 -67.22 147.00 80.08 4.34 15.58 54.92 9.75 14.73 2.70 13.63 0.00 3.10 1.16 47 S C C 76.10 3.16 9.83 14.56 109.13 -148.96 -92.53 107.31 78.99 3.77 17.24 35.79 18.91 24.59 2.68 14.35 0.01 1.84 1.82 48 N C S 125.17 1.70 9.66 12.41 100.46 37.11 -79.70 -18.63 83.31 1.71 14.98 18.83 33.80 31.28 2.25 11.98 0.00 0.80 1.05 49 I C S 132.85 1.57 10.41 12.58 100.61 40.58 -86.26 -20.10 88.14 2.12 9.74 20.02 38.24 30.66 2.11 6.73 0.00 0.98 1.24 50 N C C 82.51 5.11 8.76 15.73 112.63 33.74 -121.13 98.59 91.80 5.58 2.63 43.24 39.52 8.73 0.60 2.07 0.00 2.29 3.54 51 P C T 99.05 3.47 10.26 15.53 96.00 -164.92 -66.99 -17.86 87.18 1.53 11.29 17.42 15.25 53.43 0.95 11.44 0.00 0.94 0.57 52 Q C T 132.26 2.23 12.40 15.49 99.43 57.87 -88.20 3.35 83.35 4.54 12.11 19.43 15.06 48.46 1.23 11.47 0.01 2.91 1.43 53 G C C 32.08 8.38 11.54 21.13 119.06 -104.73 84.62 174.87 87.54 6.67 5.79 49.62 20.84 16.48 0.51 6.37 0.00 4.65 1.54 54 G C C 33.75 6.21 14.80 22.22 122.17 -146.86 112.47 -173.25 70.37 28.59 1.04 43.80 21.32 5.51 0.14 1.06 0.00 26.77 1.40 55 I E E 88.64 9.92 12.95 23.80 120.84 -62.98 -106.14 134.17 17.48 82.47 0.05 15.68 1.64 0.14 0.01 0.04 0.00 81.12 1.37 56 L E E 73.16 7.79 15.14 24.50 122.49 -165.34 -116.22 137.53 4.00 95.99 0.01 3.76 0.18 0.01 0.00 0.00 0.00 95.77 0.27 57 N E E 94.61 9.09 14.16 24.50 118.42 -149.27 -107.71 130.15 3.67 96.33 0.00 3.13 0.33 0.01 0.00 0.00 0.00 96.46 0.06 58 V E E 63.35 8.26 16.69 26.30 128.35 174.58 -131.16 144.49 3.37 96.63 0.00 3.07 0.18 0.01 0.00 0.00 0.00 96.61 0.13 59 E E E 105.81 9.42 16.73 27.07 116.23 -123.47 -86.57 135.09 8.71 91.28 0.01 8.17 0.46 0.03 0.00 0.01 0.00 90.92 0.40 60 A E E 22.46 14.16 17.19 32.26 135.42 170.01 -140.35 156.07 34.65 65.34 0.00 32.86 0.82 0.02 0.00 0.00 0.00 66.07 0.24 61 P E E 64.92 9.26 22.77 32.15 113.69 -101.33 -68.39 142.45 31.77 68.22 0.01 27.89 3.21 0.14 0.00 0.02 0.00 68.01 0.74 62 I E E 11.25 24.00 15.41 39.62 126.35 -166.25 -123.60 139.71 25.10 74.89 0.02 23.93 1.13 0.04 0.01 0.01 0.00 68.44 6.44 63 H E E 64.84 8.77 24.91 34.35 112.30 -122.44 -79.24 131.62 37.21 62.76 0.03 39.10 0.42 0.02 0.01 0.01 0.00 52.95 7.48 64 V H G 23.31 22.11 16.16 37.99 91.71 -131.80 -60.54 -31.08 7.84 0.28 91.88 1.19 0.93 4.60 1.03 91.99 0.00 0.26 0.01 65 S H G 62.52 8.12 22.34 31.35 90.29 66.49 -70.96 -14.91 6.94 0.18 92.88 0.42 0.62 4.95 0.81 93.04 0.00 0.15 0.00 66 N H G 54.19 12.60 21.44 34.74 96.38 56.00 -98.72 2.67 7.85 0.22 91.93 0.99 1.00 4.52 0.70 92.60 0.00 0.17 0.01 67 V C C 6.81 25.13 16.23 41.89 120.64 95.22 -100.80 135.84 50.95 45.92 3.14 39.94 9.54 1.28 1.54 1.73 0.01 37.65 8.32 68 M E E 53.23 12.86 25.86 38.63 125.68 -167.40 -119.03 140.11 46.26 53.56 0.18 44.60 1.65 0.19 0.08 0.10 0.00 50.24 3.14 69 L E E 27.84 19.50 20.79 39.76 114.87 -124.94 -83.09 133.08 42.35 57.54 0.11 35.70 5.79 0.31 0.03 0.09 0.00 56.69 1.39 70 I E B 39.92 13.79 18.50 33.15 123.30 -164.21 -114.42 136.38 12.57 87.37 0.06 11.54 0.46 0.02 0.07 0.01 0.00 41.66 46.25 71 D C C 34.70 10.96 14.66 27.79 107.83 -123.43 -80.98 117.43 91.80 8.18 0.02 92.44 0.55 0.05 0.00 0.01 0.00 6.02 0.93 72 P C T 78.44 7.89 13.41 23.04 92.70 -154.56 -65.67 -25.35 99.75 0.05 0.20 0.35 3.31 96.11 0.01 0.18 0.00 0.03 0.01 73 K C T 159.78 1.05 14.50 14.99 97.57 47.38 -76.61 -38.15 99.71 0.06 0.23 0.12 2.43 97.22 0.00 0.18 0.00 0.03 0.02 74 T C T 82.43 2.74 13.18 16.64 101.29 21.68 -103.29 -16.72 99.69 0.07 0.23 0.53 4.06 95.14 0.01 0.21 0.00 0.04 0.02 75 G C C 43.61 6.24 11.82 19.88 96.05 -126.01 76.77 7.31 99.11 0.71 0.18 71.79 11.94 15.36 0.03 0.17 0.00 0.43 0.27 76 E C C 104.06 3.46 16.84 21.45 118.26 138.20 -81.78 142.97 88.86 11.10 0.04 69.85 19.64 0.25 0.01 0.04 0.00 8.93 1.28 77 P E B 73.06 8.97 16.64 26.45 113.89 -103.29 -65.44 144.77 11.10 88.83 0.07 9.69 0.63 0.05 0.08 0.02 0.00 42.86 46.67 78 T C C 24.37 18.24 14.37 32.44 129.59 -166.75 -124.84 153.23 64.14 35.81 0.04 61.25 2.24 0.12 0.01 0.04 0.00 35.79 0.56 79 R E E 102.92 9.00 23.25 32.75 120.80 -128.79 -107.88 137.09 21.54 78.43 0.03 19.73 1.62 0.08 0.01 0.02 0.00 76.88 1.67 80 V E E 24.63 20.79 16.08 36.46 119.27 -148.26 -102.56 133.29 10.37 89.62 0.01 9.92 0.31 0.01 0.00 0.00 0.00 89.52 0.23 81 G E E 13.71 10.35 22.20 33.52 138.34 165.37 -147.01 174.26 3.15 96.84 0.00 2.82 0.14 0.01 0.00 0.00 0.00 96.97 0.06 82 Y E E 92.17 14.87 15.67 30.30 129.23 -117.26 -129.09 145.82 1.68 98.32 0.00 1.52 0.06 0.00 0.00 0.00 0.00 98.38 0.04 83 E E E 79.73 7.15 17.22 25.77 131.78 -174.90 -137.09 152.42 0.98 99.02 0.00 0.84 0.04 0.00 0.00 0.00 0.00 99.10 0.01 84 V E E 85.11 7.12 12.32 21.19 116.11 -128.20 -98.83 127.72 3.23 96.76 0.01 2.67 0.23 0.02 0.00 0.00 0.00 97.03 0.04 85 K E E 100.81 6.02 9.78 17.77 117.81 174.64 -129.67 116.11 8.66 91.26 0.08 5.59 1.97 0.67 0.01 0.07 0.00 91.38 0.30 86 G C T 67.61 0.43 11.89 10.80 100.94 -29.12 57.63 -55.82 99.59 0.27 0.14 0.51 5.68 93.44 0.00 0.15 0.00 0.20 0.02 87 D C T 135.53 0.67 10.68 11.18 95.58 -37.26 30.77 9.66 99.79 0.11 0.09 0.52 5.61 93.67 0.00 0.10 0.00 0.08 0.01 88 K E E 113.35 3.68 11.81 17.58 125.53 97.24 -111.78 146.97 5.15 94.84 0.01 3.51 1.24 0.06 0.00 0.00 0.00 95.03 0.16 89 K E E 102.66 7.98 13.64 23.20 116.08 -126.69 -91.89 130.99 1.28 98.72 0.00 1.11 0.03 0.00 0.00 0.00 0.00 98.85 0.01 90 V E E 22.14 13.97 16.08 31.74 128.35 -174.10 -125.55 145.77 0.51 99.49 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.53 0.00 91 R E E 54.75 13.12 20.67 34.68 115.92 -129.48 -94.63 130.14 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 92 V E E 17.47 15.30 19.63 36.10 128.83 -173.28 -126.11 144.79 0.19 99.81 0.00 0.16 0.01 0.00 0.00 0.00 0.00 99.81 0.03 93 A E E 10.14 16.02 15.37 33.31 110.42 -114.41 -70.90 129.81 6.54 93.45 0.01 6.27 0.15 0.01 0.00 0.00 0.00 93.19 0.37 94 K C T 101.62 9.44 17.13 27.51 93.83 -145.82 -66.16 -32.42 98.91 0.76 0.33 0.86 3.63 94.59 0.01 0.29 0.00 0.55 0.07 95 K C T 141.69 2.75 17.63 20.77 97.24 45.93 -77.43 -38.96 99.28 0.33 0.39 0.19 2.22 97.04 0.01 0.29 0.00 0.15 0.10 96 S C T 59.90 4.28 15.84 21.05 102.09 20.85 -106.82 -15.15 99.55 0.14 0.31 0.72 3.50 95.39 0.02 0.26 0.00 0.09 0.03 97 G C C 33.83 10.59 13.04 24.56 95.39 -122.18 80.43 7.87 99.24 0.61 0.15 83.98 6.13 9.12 0.03 0.12 0.00 0.46 0.16 98 E C C 95.55 4.26 17.56 23.18 117.53 145.14 -75.46 143.30 91.41 8.56 0.02 88.96 2.57 0.11 0.00 0.02 0.00 7.84 0.50 99 V E E 77.98 9.48 15.70 26.09 112.78 -113.51 -76.02 132.33 2.25 97.73 0.02 2.19 0.12 0.01 0.02 0.00 0.00 76.08 21.58 100 I E E 49.09 15.16 11.65 26.78 105.09 -164.51 -91.50 -6.52 36.07 63.82 0.12 32.20 2.43 0.39 0.03 0.09 0.00 64.15 0.71 101 D C C 93.95 4.69 15.10 20.97 115.74 -3.46 -104.09 133.21 71.20 28.63 0.17 68.16 1.52 0.82 0.03 0.12 0.00 28.58 0.77 102 K C C 142.96 4.71 14.11 20.46 107.09 -137.31 -86.99 101.09 99.76 0.22 0.01 99.70 0.10 0.03 0.00 0.00 0.00 0.15 0.01