# 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 121.33 4.87 13.76 20.06 117.09 -160.35 -97.57 130.70 99.90 0.09 0.00 99.88 0.04 0.02 0.00 0.00 0.00 0.05 0.01 1 M C C 108.43 6.51 12.02 20.05 117.84 -151.86 -98.44 134.64 93.57 5.72 0.71 91.19 0.63 2.25 0.14 0.36 0.00 4.51 0.92 2 A C C 52.10 8.98 14.15 24.22 116.48 -135.42 -88.42 140.12 86.69 12.42 0.89 66.64 13.68 5.50 0.12 0.93 0.00 12.27 0.87 3 T C C 39.97 13.79 16.80 31.08 120.03 -149.28 -105.53 138.61 68.84 30.50 0.66 50.15 13.94 2.84 0.08 0.65 0.00 31.75 0.60 4 Y E E 52.43 14.39 21.13 35.59 133.56 -175.76 -133.21 152.47 13.08 86.84 0.07 11.34 1.28 0.12 0.01 0.05 0.00 86.95 0.24 5 A E E 5.13 21.99 20.28 42.40 127.58 -156.15 -125.62 143.41 1.63 98.36 0.00 1.51 0.06 0.00 0.00 0.00 0.00 98.40 0.02 6 I E E 28.34 14.11 25.15 39.86 116.34 -145.06 -104.91 126.38 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 7 V E E 6.42 22.83 18.21 41.32 125.66 -171.50 -120.68 140.15 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 8 K E E 79.97 8.59 22.52 31.73 114.72 -139.47 -101.18 124.54 0.62 99.38 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.45 0.01 9 T E E 22.51 18.46 12.20 30.26 119.91 174.53 -131.93 121.10 6.90 93.06 0.03 4.74 1.36 0.29 0.00 0.03 0.00 93.41 0.16 10 G C T 54.03 3.90 15.48 20.64 95.42 -18.59 57.80 36.13 99.43 0.40 0.17 0.29 4.95 94.28 0.00 0.18 0.00 0.28 0.03 11 G C T 64.77 1.03 14.70 15.20 95.67 -43.60 80.70 1.99 99.77 0.13 0.10 0.33 4.95 94.52 0.00 0.11 0.00 0.08 0.01 12 K E E 113.67 4.14 14.49 20.65 125.91 100.24 -111.37 145.20 5.45 94.54 0.00 4.13 0.82 0.03 0.00 0.00 0.00 94.91 0.10 13 Q E E 97.22 9.53 14.12 24.85 119.49 -132.77 -100.25 134.35 1.20 98.80 0.00 1.04 0.03 0.00 0.00 0.00 0.00 98.93 0.01 14 Y E E 49.35 14.90 16.24 31.92 129.00 -173.82 -129.61 144.39 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 15 K E E 105.36 7.93 23.27 31.80 116.89 -135.90 -97.91 130.45 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 16 V E E 8.35 23.26 14.76 38.20 128.12 -172.34 -126.70 142.56 0.45 99.55 0.00 0.43 0.00 0.00 0.00 0.00 0.00 99.54 0.02 17 A E E 38.95 7.28 23.74 31.30 124.93 -143.96 -99.17 158.17 30.96 69.03 0.01 30.77 0.46 0.04 0.00 0.00 0.00 68.20 0.53 18 V C T 76.58 11.79 15.23 27.46 109.72 -81.40 -59.04 134.70 99.30 0.58 0.13 0.17 1.35 98.06 0.00 0.08 0.00 0.31 0.04 19 G C T 50.25 3.03 19.63 23.00 95.87 22.89 88.09 -6.13 99.79 0.13 0.08 0.19 1.63 98.02 0.00 0.06 0.00 0.09 0.01 20 D C C 51.02 11.59 15.28 27.94 119.93 125.82 -77.55 148.82 96.33 3.63 0.03 88.71 7.50 0.14 0.01 0.03 0.00 3.28 0.33 21 V E E 73.35 9.01 20.13 29.90 117.18 -135.49 -102.89 128.56 17.26 82.71 0.03 17.98 0.22 0.02 0.01 0.01 0.00 80.17 1.60 22 V E E 16.23 22.03 14.50 36.26 123.07 -168.02 -115.72 135.60 5.35 94.61 0.04 5.11 0.16 0.02 0.02 0.01 0.00 94.54 0.13 23 K E E 111.04 5.96 23.75 30.46 117.68 -151.46 -106.33 129.05 3.10 96.84 0.06 2.96 0.14 0.03 0.03 0.02 0.00 96.70 0.12 24 V E E 19.63 21.66 13.16 34.65 118.21 -166.62 -111.92 123.63 10.07 89.50 0.44 9.79 0.42 0.14 0.24 0.16 0.00 88.96 0.29 25 E E E 96.63 5.52 21.65 27.31 115.66 -152.59 -88.88 148.39 36.77 62.46 0.77 24.32 10.20 1.60 0.19 0.53 0.00 62.83 0.33 26 K C E 114.05 8.49 18.84 27.80 112.39 -37.31 -82.92 124.31 50.31 48.93 0.76 39.56 8.55 1.56 0.14 0.60 0.00 48.83 0.75 27 L C C 31.69 19.23 11.76 30.47 120.42 -167.15 -113.77 132.21 60.88 38.76 0.36 57.56 2.45 0.37 0.12 0.23 0.00 34.37 4.88 28 E C C 142.11 2.21 21.60 23.70 108.35 -140.95 -91.28 105.29 90.11 9.74 0.14 79.18 10.01 1.03 0.04 0.14 0.00 8.51 1.09 29 S C C 28.88 13.88 11.99 26.47 137.28 123.83 -142.66 165.90 94.28 5.65 0.08 77.17 16.99 0.59 0.02 0.07 0.00 1.55 3.61 30 E C C 129.84 1.95 20.33 21.35 118.34 -100.50 -80.56 149.73 99.50 0.41 0.08 96.51 2.59 0.42 0.02 0.04 0.00 0.15 0.27 31 Q C T 105.42 9.20 12.57 22.92 109.52 -85.34 -59.57 134.69 99.59 0.22 0.19 0.42 2.61 96.67 0.01 0.13 0.00 0.11 0.06 32 G C T 51.08 2.90 16.95 20.55 95.81 23.07 87.42 -6.06 99.77 0.12 0.11 0.65 2.52 96.64 0.00 0.09 0.00 0.08 0.01 33 E C C 83.43 7.20 15.07 23.98 119.39 127.31 -77.05 149.22 94.39 5.58 0.03 89.06 5.16 0.14 0.00 0.03 0.00 5.29 0.32 34 K E E 123.98 6.66 17.46 25.89 120.59 -133.41 -104.35 136.83 10.50 89.49 0.01 10.43 0.30 0.02 0.00 0.00 0.00 88.59 0.66 35 V E E 18.71 19.77 13.73 33.52 127.56 -172.50 -125.74 142.29 0.92 99.07 0.00 0.88 0.02 0.00 0.00 0.00 0.00 99.03 0.07 36 S E E 63.07 6.45 23.33 30.61 118.12 -147.21 -108.81 130.18 1.83 98.17 0.00 1.74 0.05 0.00 0.00 0.00 0.00 98.06 0.15 37 L E E 12.87 23.22 14.53 37.52 121.16 -166.34 -114.06 133.24 28.99 70.99 0.02 27.69 0.79 0.04 0.00 0.01 0.00 71.12 0.35 38 P C E 45.99 9.16 23.80 33.62 115.12 -114.97 -69.55 151.35 55.90 43.81 0.28 40.40 12.66 0.87 0.03 0.25 0.00 45.53 0.28 39 V E E 36.82 17.27 21.98 38.31 116.02 -94.66 -81.93 134.21 41.22 58.24 0.54 33.47 6.25 0.78 0.09 0.38 0.00 58.52 0.52 40 A E E 6.78 22.48 22.20 44.07 122.84 -166.82 -115.21 137.82 13.33 86.37 0.30 11.33 1.88 0.27 0.08 0.16 0.00 85.85 0.44 41 L E E 11.41 21.26 24.64 45.15 122.95 -157.32 -114.55 135.00 2.64 97.32 0.04 2.32 0.22 0.04 0.01 0.02 0.00 97.32 0.07 42 V E E 13.86 18.59 24.54 42.99 118.05 -158.37 -109.25 127.09 0.97 99.01 0.01 0.82 0.07 0.01 0.00 0.00 0.00 99.05 0.03 43 V E E 17.86 18.95 18.40 37.55 121.71 -168.82 -119.10 129.67 3.07 96.90 0.02 2.50 0.34 0.05 0.01 0.01 0.00 96.91 0.19 44 D E E 68.55 7.62 19.83 28.14 107.79 -171.62 -117.14 66.25 41.90 57.99 0.12 34.14 4.92 0.85 0.02 0.11 0.00 59.59 0.37 45 G C T 40.24 7.98 17.04 25.44 104.54 -76.78 66.38 -69.13 98.55 1.10 0.35 5.10 43.36 50.17 0.02 0.34 0.00 0.88 0.13 46 A C S 82.31 3.64 16.45 20.95 101.06 -2.71 -100.53 -12.93 98.60 0.97 0.42 5.51 46.83 46.35 0.03 0.41 0.00 0.76 0.12 47 T E E 84.22 3.59 19.11 23.59 122.57 67.27 -114.82 137.94 36.81 63.01 0.18 24.66 11.15 1.51 0.03 0.15 0.00 61.78 0.72 48 V E E 36.29 20.55 11.76 31.30 119.19 -159.04 -111.01 127.60 6.38 93.58 0.04 5.78 0.35 0.05 0.02 0.02 0.00 93.43 0.35 49 T E E 61.99 6.99 23.38 30.77 124.69 -173.80 -123.94 138.49 3.61 96.33 0.06 3.20 0.27 0.05 0.04 0.02 0.00 96.10 0.32 50 T E E 39.14 19.90 13.65 32.14 128.47 -166.44 -125.32 141.14 21.58 78.15 0.28 18.29 2.73 0.41 0.14 0.13 0.00 77.65 0.64 51 D C C 75.25 6.33 20.73 27.31 107.85 -118.77 -93.81 104.84 82.11 16.48 1.41 67.98 11.05 1.82 0.78 0.62 0.00 17.05 0.71 52 A H H 46.84 14.76 13.06 27.38 96.12 -151.29 -65.03 -28.14 34.78 1.46 63.75 12.30 7.31 14.56 37.01 27.33 0.11 0.84 0.54 53 K H H 150.40 1.78 19.61 21.09 91.80 62.53 -65.34 -27.32 27.20 0.53 72.28 3.41 3.59 17.64 38.90 35.82 0.11 0.31 0.22 54 A H H 35.76 11.97 16.44 29.03 93.06 53.75 -74.40 -23.20 23.75 0.73 75.52 3.44 3.13 14.81 41.46 36.33 0.13 0.45 0.26 55 L H H 9.82 24.55 11.79 35.78 97.58 58.30 -87.96 -5.13 33.76 4.79 61.45 12.51 7.80 13.96 36.86 23.94 0.44 2.84 1.67 56 A C T 59.50 7.64 19.09 27.49 96.68 107.98 -66.38 -23.71 76.47 5.08 18.46 11.93 11.69 51.83 11.48 7.68 0.13 3.81 1.43 57 K C T 141.10 2.91 21.58 24.60 97.10 35.35 -87.73 6.74 84.60 6.52 8.88 10.10 15.68 59.24 2.25 5.93 0.01 6.10 0.69 58 V C C 15.20 22.48 12.43 34.50 122.15 102.97 -100.54 139.90 71.80 27.86 0.34 60.81 8.06 0.91 0.08 0.24 0.00 29.48 0.43 59 A E E 43.63 8.38 26.23 34.99 121.35 -158.56 -110.42 135.91 7.66 92.29 0.05 7.30 0.36 0.05 0.02 0.02 0.00 92.01 0.25 60 V E E 5.77 25.75 15.96 42.29 124.30 -167.84 -119.97 134.23 0.79 99.20 0.00 0.70 0.04 0.00 0.00 0.00 0.00 99.23 0.02 61 T E E 45.31 8.58 27.15 36.52 122.15 -168.47 -116.46 135.78 0.35 99.65 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.00 62 G E E 5.98 23.92 15.50 38.94 138.42 168.84 -141.91 162.53 0.59 99.41 0.00 0.46 0.03 0.00 0.00 0.00 0.00 99.51 0.00 63 E E E 86.06 6.31 26.31 33.35 123.84 -132.79 -122.79 135.27 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 64 V E E 30.67 20.46 14.40 34.84 109.76 -118.92 -76.26 123.54 0.31 99.69 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.68 0.01 65 L E E 75.07 6.98 20.11 28.21 100.45 175.70 -98.86 -26.92 7.62 92.37 0.01 3.79 2.82 0.36 0.00 0.01 0.00 92.98 0.04 66 G E E 26.42 5.21 22.96 29.09 144.45 -24.35 -173.20 168.40 16.58 83.41 0.01 3.73 11.25 0.62 0.00 0.01 0.00 84.32 0.06 67 H E E 82.93 17.47 13.88 30.35 127.11 -138.63 -128.66 139.39 25.37 74.61 0.01 21.70 2.42 0.08 0.00 0.01 0.00 75.66 0.13 68 T E E 51.21 8.74 19.02 28.87 129.89 -174.28 -129.45 150.43 20.51 79.47 0.02 19.34 0.56 0.04 0.00 0.01 0.00 76.84 3.20 69 K E E 128.84 6.21 17.66 25.60 116.23 -123.22 -87.26 135.58 23.39 76.59 0.02 19.63 3.57 0.14 0.00 0.02 0.00 74.08 2.54 70 G E E 15.77 15.30 12.85 28.12 132.04 -156.70 -114.78 171.35 48.77 51.20 0.03 35.61 11.68 0.21 0.00 0.03 0.00 51.97 0.50 71 P C E 72.99 5.70 18.84 24.96 113.61 -74.96 -69.13 153.42 50.47 49.28 0.24 37.49 10.56 0.76 0.04 0.18 0.00 50.67 0.30 72 K E E 103.14 8.96 16.12 25.85 114.87 -97.52 -77.97 137.48 25.79 73.85 0.36 21.20 3.75 0.51 0.11 0.23 0.00 73.72 0.48 73 I E E 46.22 13.99 13.53 28.49 120.89 -154.74 -110.79 132.47 4.21 95.52 0.27 4.00 0.21 0.06 0.15 0.11 0.00 95.15 0.33 74 R E E 107.93 7.10 18.41 26.69 116.81 -150.86 -103.08 129.09 2.50 97.29 0.21 2.33 0.11 0.03 0.11 0.07 0.00 97.23 0.12 75 I E E 47.25 12.76 14.12 28.22 120.10 -165.06 -111.56 131.93 3.81 95.80 0.38 3.37 0.26 0.09 0.17 0.14 0.00 95.85 0.11 76 H E E 75.27 8.25 15.28 25.28 124.01 -168.79 -117.56 137.97 5.82 93.54 0.64 4.96 0.57 0.23 0.28 0.25 0.00 93.48 0.23 77 K E E 101.98 7.08 14.03 22.80 120.00 -159.18 -110.55 134.48 15.18 83.66 1.16 12.51 2.07 0.70 0.53 0.53 0.00 83.23 0.42 78 F E E 91.45 7.47 9.94 19.27 117.78 -146.13 -99.52 136.46 33.72 64.33 1.95 28.10 4.59 1.37 1.08 0.95 0.01 62.44 1.46 79 K C C 129.78 3.08 10.09 14.80 110.88 -142.96 -89.28 132.70 56.07 37.60 6.33 35.90 14.62 7.04 2.49 3.66 0.04 33.86 2.39 80 N C T 116.67 2.15 8.76 12.33 108.51 -101.36 -84.25 146.26 76.58 6.02 17.39 19.73 24.15 34.54 3.64 12.14 0.03 4.47 1.29 81 K C T 178.84 0.57 9.48 9.64 97.47 -24.99 -68.03 -4.12 80.89 2.19 16.92 14.01 23.09 44.83 3.49 12.34 0.01 1.44 0.78 82 T C T 97.88 1.79 8.79 11.52 100.70 59.32 -96.51 -2.07 82.62 3.98 13.40 13.69 23.96 46.19 2.65 9.64 0.03 2.68 1.17 83 G C C 49.01 2.78 10.37 14.48 102.51 -110.25 80.77 7.65 81.57 16.61 1.82 31.21 23.10 27.37 0.24 1.69 0.00 15.45 0.95 84 Y C C 124.52 5.22 9.17 16.35 118.66 134.03 -94.09 138.12 55.82 43.66 0.53 48.07 5.15 1.36 0.11 0.46 0.00 42.90 1.96 85 H E E 107.94 5.72 11.30 18.91 120.84 -162.13 -113.13 138.94 31.10 68.62 0.28 27.12 2.74 0.78 0.06 0.22 0.00 68.12 0.96 86 K E E 119.28 5.99 12.66 20.45 119.63 -151.19 -106.17 134.69 23.17 76.67 0.16 20.24 1.78 0.41 0.03 0.13 0.00 77.01 0.41 87 R E E 114.50 9.27 12.28 22.74 120.99 -162.82 -112.75 137.54 16.06 83.79 0.15 13.43 1.74 0.44 0.03 0.11 0.00 83.93 0.32 88 Q E E 106.12 5.79 15.34 22.77 123.27 -163.04 -116.72 138.64 11.34 88.54 0.12 9.03 1.62 0.41 0.02 0.10 0.00 88.52 0.29 89 G E E 25.89 11.11 13.05 24.95 131.15 66.83 -133.30 170.11 11.88 88.04 0.09 9.70 1.51 0.25 0.02 0.07 0.00 88.22 0.23 90 H E E 100.00 6.91 17.05 25.15 124.26 -112.59 -117.81 142.24 10.79 89.16 0.05 9.85 0.65 0.09 0.01 0.03 0.00 88.28 1.08 91 R E E 106.44 12.09 13.75 26.36 118.33 -140.98 -99.75 136.46 21.53 78.42 0.05 19.51 1.42 0.13 0.01 0.04 0.00 78.25 0.64 92 Q E E 75.67 10.21 16.26 27.37 119.82 -145.77 -98.75 141.61 29.45 70.52 0.03 26.39 1.81 0.11 0.00 0.03 0.00 71.33 0.34 93 Q E E 95.66 8.90 18.73 28.16 112.54 -110.86 -75.64 135.72 30.24 69.73 0.03 28.33 0.95 0.06 0.00 0.02 0.00 70.27 0.36 94 L E E 38.52 16.39 16.50 32.86 126.44 -168.93 -117.72 148.00 17.47 82.51 0.02 15.94 0.97 0.05 0.00 0.01 0.00 82.69 0.32 95 T E E 23.56 15.60 18.87 35.17 119.97 -132.72 -101.93 138.09 5.42 94.57 0.00 5.00 0.20 0.01 0.00 0.00 0.00 94.68 0.11 96 V E E 39.55 12.71 22.72 35.97 119.87 -155.63 -112.10 129.81 2.47 97.53 0.00 2.13 0.17 0.01 0.00 0.00 0.00 97.66 0.03 97 L E E 16.32 22.25 17.26 39.43 118.73 -159.10 -106.63 128.47 1.53 98.47 0.00 1.37 0.05 0.00 0.00 0.00 0.00 98.56 0.01 98 K E E 91.97 7.29 25.01 32.73 118.56 -157.69 -107.23 130.09 0.74 99.26 0.00 0.69 0.01 0.00 0.00 0.00 0.00 99.28 0.01 99 V E E 22.14 21.41 12.97 34.38 112.19 -140.71 -90.19 122.58 1.86 98.14 0.00 1.78 0.03 0.00 0.00 0.00 0.00 98.10 0.08 100 T E E 73.03 4.83 20.55 25.94 102.76 176.46 -102.57 -22.65 16.06 83.86 0.08 11.37 3.65 0.99 0.01 0.08 0.00 83.67 0.22 101 G E E 33.37 5.42 20.63 26.78 140.12 -17.09 147.70 165.48 29.09 70.77 0.14 16.59 10.73 2.46 0.02 0.15 0.00 69.76 0.30 102 I E E 57.89 17.73 11.29 27.95 122.04 -127.88 -117.49 131.45 39.69 60.17 0.14 39.14 0.61 0.30 0.05 0.08 0.00 58.12 1.69 103 A C C 63.32 5.49 18.51 24.73 117.53 -157.45 -103.05 139.67 98.45 1.54 0.01 98.46 0.07 0.01 0.00 0.00 0.00 1.43 0.02