# 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 48.78 15.16 20.16 35.06 119.64 -161.69 -108.55 136.70 99.23 0.77 0.00 99.21 0.13 0.01 0.00 0.00 0.00 0.63 0.01 1 Y E E 51.31 14.52 21.32 35.94 131.57 -173.57 -127.03 149.98 6.88 93.12 0.00 6.82 0.12 0.00 0.00 0.00 0.00 92.89 0.15 2 A E E 5.65 21.39 19.74 41.34 129.09 -164.70 -126.87 146.25 0.48 99.52 0.00 0.46 0.00 0.00 0.00 0.00 0.00 99.53 0.00 3 I E E 26.40 14.11 24.85 39.70 117.12 -144.19 -105.86 126.64 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 4 V E E 5.82 23.14 18.42 41.89 123.98 -170.30 -119.07 136.24 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 5 R E E 88.55 8.94 22.79 32.25 115.59 -148.18 -102.88 124.37 1.17 98.83 0.00 0.93 0.05 0.00 0.00 0.00 0.00 99.01 0.01 6 S E E 18.55 18.40 12.50 30.56 121.46 173.91 -131.41 123.64 10.60 89.24 0.16 6.79 2.40 1.00 0.01 0.20 0.00 89.38 0.21 7 G C T 53.28 4.23 15.86 21.14 95.94 -17.48 58.38 31.90 99.05 0.47 0.48 0.50 6.59 91.95 0.01 0.58 0.00 0.33 0.04 8 G C T 63.74 1.26 14.89 15.94 96.60 -43.99 80.67 1.24 99.38 0.20 0.42 0.60 6.96 91.74 0.01 0.54 0.00 0.14 0.02 9 R E E 132.11 3.88 14.74 20.54 124.97 100.75 -110.99 144.02 8.72 91.26 0.02 6.63 1.53 0.10 0.00 0.02 0.00 91.53 0.19 10 Q E E 97.07 10.29 13.38 24.71 120.23 -140.66 -105.85 134.39 3.17 96.83 0.00 2.75 0.08 0.00 0.00 0.00 0.00 97.15 0.01 11 H E E 54.19 13.02 16.72 30.66 129.02 -172.59 -129.46 142.44 0.33 99.67 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.00 12 K E E 113.26 7.09 22.35 30.40 116.21 -132.56 -94.04 131.90 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 13 V E E 8.82 22.93 13.87 36.92 129.81 -176.23 -128.11 148.17 1.37 98.62 0.00 1.40 0.02 0.00 0.00 0.00 0.00 98.53 0.05 14 A E E 45.45 6.04 24.13 30.17 127.01 -143.99 -101.50 159.03 42.40 57.59 0.01 42.26 0.66 0.05 0.00 0.01 0.00 56.32 0.70 15 V C T 75.43 12.19 14.88 27.46 109.49 -80.21 -59.12 134.27 99.24 0.61 0.15 0.21 1.67 97.63 0.00 0.10 0.00 0.34 0.05 16 G C T 49.19 3.29 19.76 23.53 95.60 23.64 88.39 -6.20 99.75 0.16 0.09 0.25 1.83 97.72 0.00 0.08 0.00 0.11 0.01 17 D C C 51.87 11.37 15.67 28.11 119.23 126.28 -76.32 148.65 96.03 3.92 0.05 88.76 7.07 0.16 0.01 0.05 0.00 3.56 0.39 18 V E E 71.21 9.70 20.02 30.41 118.40 -136.48 -105.41 129.17 17.05 82.91 0.04 17.41 0.25 0.03 0.01 0.01 0.00 80.90 1.38 19 V E E 13.80 22.12 15.06 37.07 122.07 -166.97 -115.04 134.50 5.86 94.08 0.06 5.52 0.22 0.04 0.03 0.02 0.00 93.99 0.17 20 E E E 101.10 6.24 24.38 31.24 115.50 -149.31 -102.26 125.72 3.93 95.97 0.09 3.73 0.19 0.04 0.06 0.03 0.00 95.74 0.20 21 I E E 14.44 22.99 13.32 36.30 117.16 -166.73 -112.53 121.86 15.40 84.01 0.59 14.71 0.60 0.20 0.34 0.21 0.00 83.52 0.42 22 D C E 77.13 5.43 22.40 27.87 118.00 -158.56 -93.49 145.78 50.92 48.25 0.83 30.37 16.58 3.00 0.20 0.60 0.00 48.83 0.42 23 K C C 117.08 7.61 20.40 28.23 103.56 -5.15 -25.61 80.53 61.73 37.35 0.92 43.01 15.07 3.51 0.18 0.80 0.00 36.27 1.17 24 V C C 27.68 20.27 11.65 31.11 117.96 -159.35 -104.79 128.90 64.07 35.35 0.58 58.59 3.86 0.63 0.24 0.38 0.00 27.00 9.29 25 A C C 73.71 4.03 20.83 25.37 105.77 -144.01 -85.48 89.96 91.34 8.34 0.32 75.49 13.71 2.14 0.09 0.29 0.00 6.99 1.28 26 D C C 61.32 11.26 14.14 25.87 129.16 123.01 -126.59 162.31 97.96 1.89 0.15 71.34 25.12 1.65 0.03 0.16 0.00 0.99 0.71 27 E C C 128.17 2.59 19.94 22.50 118.19 -92.39 -87.04 147.20 98.94 0.91 0.16 90.40 7.64 0.69 0.05 0.09 0.00 0.30 0.83 28 A C T 59.85 10.92 12.14 23.80 109.96 -89.93 -59.41 135.44 99.37 0.39 0.25 0.71 3.15 95.65 0.02 0.16 0.00 0.19 0.12 29 G C T 50.57 3.11 17.36 21.25 95.93 23.01 87.48 -5.31 99.70 0.19 0.11 0.91 3.12 95.72 0.01 0.09 0.00 0.14 0.02 30 S C C 45.94 7.62 15.26 24.55 120.19 125.19 -79.35 153.99 93.84 6.12 0.04 87.15 6.38 0.19 0.01 0.04 0.00 5.83 0.40 31 S E E 62.05 8.67 17.36 27.33 125.91 -138.33 -118.50 144.60 12.79 87.20 0.01 12.66 0.32 0.02 0.00 0.01 0.00 86.25 0.73 32 I E E 23.01 19.73 14.17 33.85 126.43 -165.89 -125.48 138.95 0.89 99.11 0.00 0.88 0.02 0.00 0.00 0.00 0.00 99.01 0.09 33 E E E 113.39 5.50 23.14 29.64 116.36 -147.76 -104.50 126.53 1.61 98.38 0.00 1.57 0.04 0.00 0.00 0.00 0.00 98.28 0.11 34 L E E 12.20 23.59 13.79 37.21 122.83 -166.20 -111.08 138.93 22.18 77.80 0.01 21.29 0.58 0.02 0.00 0.01 0.00 77.68 0.40 35 T C C 58.63 7.89 24.90 33.10 116.33 -122.65 -81.10 143.77 62.14 37.80 0.06 53.15 6.18 0.25 0.01 0.05 0.00 40.11 0.25 36 P C C 29.33 17.90 20.97 38.16 113.76 -98.66 -68.45 142.71 59.11 40.74 0.15 49.73 6.91 0.43 0.02 0.14 0.00 42.41 0.35 37 L E E 10.04 22.35 22.83 44.54 124.65 -164.10 -120.27 137.12 11.02 88.90 0.08 9.86 1.03 0.11 0.02 0.05 0.00 88.51 0.42 38 L E E 10.04 21.51 25.28 46.14 120.53 -150.89 -106.51 133.31 1.78 98.21 0.01 1.70 0.07 0.01 0.00 0.00 0.00 98.17 0.05 39 V E E 10.47 20.19 24.75 44.53 118.38 -161.38 -109.41 126.83 0.41 99.59 0.00 0.37 0.02 0.00 0.00 0.00 0.00 99.59 0.02 40 V E E 18.12 18.94 18.80 37.83 123.15 -168.13 -119.14 132.68 2.28 97.71 0.01 1.91 0.21 0.02 0.00 0.00 0.00 97.72 0.13 41 D C E 67.36 7.87 19.58 28.30 104.58 173.53 -113.80 38.77 51.61 48.32 0.07 44.92 3.65 0.41 0.01 0.06 0.00 50.60 0.36 42 G C S 41.47 7.59 16.92 25.04 102.52 -79.59 69.17 -76.05 99.11 0.65 0.24 3.04 52.65 43.51 0.01 0.23 0.00 0.49 0.08 43 E C S 150.10 1.76 16.80 18.56 101.26 11.09 -102.19 -13.93 99.18 0.54 0.28 3.19 55.36 40.72 0.02 0.24 0.00 0.39 0.08 44 S E E 62.63 4.39 19.29 24.62 128.69 52.66 -123.41 149.52 39.29 60.60 0.11 27.61 10.93 0.98 0.02 0.10 0.00 59.64 0.72 45 V E E 33.66 20.99 12.45 32.53 119.99 -151.55 -114.11 129.41 4.93 95.05 0.02 4.61 0.23 0.02 0.01 0.01 0.00 94.74 0.37 46 T E E 53.27 8.24 23.57 32.17 128.29 -174.55 -125.97 146.09 2.60 97.37 0.03 2.41 0.15 0.02 0.02 0.01 0.00 97.01 0.39 47 S E E 36.03 19.15 14.43 32.14 120.31 -163.06 -114.59 141.65 30.19 69.57 0.23 24.04 5.41 0.68 0.08 0.15 0.00 69.07 0.57 48 D C C 73.47 7.59 19.56 27.47 105.11 6.96 -93.12 81.68 88.88 9.25 1.87 67.29 17.99 3.48 0.84 0.94 0.00 8.66 0.79 49 K H H 101.84 12.57 13.40 25.95 94.78 161.32 -65.49 -28.69 36.86 1.00 62.15 11.95 7.71 16.62 36.29 26.29 0.14 0.51 0.48 50 D H H 118.93 1.25 19.16 19.41 92.19 61.27 -66.97 -26.79 28.84 0.44 70.72 3.58 3.85 19.11 37.79 35.10 0.10 0.25 0.22 51 A H H 39.53 11.56 16.09 28.16 95.18 50.33 -78.65 -23.91 26.65 0.67 72.67 3.64 3.62 17.13 40.69 34.09 0.15 0.41 0.28 52 L H H 9.05 24.46 11.36 35.02 97.44 54.53 -87.10 -15.81 37.00 3.17 59.83 11.00 8.38 17.50 35.86 23.53 0.50 1.70 1.52 53 G C T 38.49 6.36 19.97 27.04 97.45 84.55 -54.89 -41.88 85.29 4.19 10.52 17.37 13.86 54.23 5.03 5.24 0.03 2.95 1.28 54 K C T 139.64 3.21 21.40 24.75 98.21 41.01 -90.84 7.26 89.74 6.54 3.71 14.80 21.13 53.85 0.58 2.96 0.00 6.11 0.57 55 V C C 14.12 23.09 11.94 34.50 120.44 110.36 -95.14 138.45 71.52 28.39 0.09 63.37 5.59 0.34 0.02 0.07 0.00 30.25 0.37 56 K E E 99.99 6.60 25.76 32.98 121.59 -159.78 -114.52 133.37 3.99 96.00 0.01 3.91 0.12 0.01 0.00 0.00 0.00 95.80 0.15 57 V E E 6.01 25.65 15.29 41.46 124.14 -168.27 -120.77 133.81 0.30 99.70 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.00 58 T E E 41.58 8.37 27.32 36.68 121.30 -166.43 -115.89 132.99 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 59 A E E 4.68 25.84 15.33 41.58 128.25 -170.17 -126.07 143.86 0.36 99.64 0.00 0.31 0.00 0.00 0.00 0.00 0.00 99.68 0.00 60 E E E 75.08 7.04 26.81 34.51 122.86 -164.00 -122.53 132.94 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 61 V E E 30.18 20.05 14.84 34.94 109.99 -124.31 -78.72 122.47 0.31 99.69 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.66 0.02 62 L E E 75.48 7.05 19.81 27.96 100.16 176.29 -97.62 -22.30 13.32 86.66 0.01 8.76 3.27 0.33 0.00 0.01 0.00 87.54 0.08 63 G E E 27.21 4.66 22.16 27.60 143.53 -33.32 170.13 175.07 36.04 63.95 0.01 6.85 26.70 1.04 0.00 0.02 0.00 65.29 0.10 64 E E E 100.39 12.97 14.94 28.09 123.86 -91.98 -112.29 141.05 46.03 53.95 0.02 39.22 4.41 0.13 0.00 0.02 0.00 56.03 0.19 65 T E E 49.56 10.32 16.91 28.36 130.85 -175.62 -132.30 149.95 25.21 74.76 0.03 24.02 0.71 0.07 0.01 0.02 0.00 71.41 3.76 66 K E E 130.14 5.71 17.70 25.25 117.72 -128.30 -95.87 135.33 22.29 77.68 0.02 19.31 2.65 0.13 0.01 0.02 0.00 73.09 4.80 67 G C E 15.12 15.75 12.34 28.02 130.09 -153.88 -106.22 172.06 52.60 47.39 0.02 41.65 9.31 0.17 0.00 0.02 0.00 48.34 0.52 68 P C E 73.54 5.35 19.23 24.93 113.73 -79.51 -68.38 153.83 51.98 47.94 0.07 33.48 16.29 0.82 0.00 0.08 0.00 49.06 0.27 69 K E E 106.18 8.53 16.59 25.91 114.00 -96.60 -75.50 136.94 24.13 75.79 0.08 19.25 3.74 0.35 0.01 0.07 0.00 76.27 0.30 70 I E E 39.28 15.53 13.31 29.50 120.75 -155.12 -111.26 132.54 2.78 97.20 0.02 2.70 0.09 0.01 0.00 0.01 0.00 97.03 0.15 71 R E E 108.04 7.03 19.63 27.63 116.30 -150.07 -101.69 127.05 1.23 98.75 0.02 1.17 0.04 0.01 0.00 0.01 0.00 98.74 0.03 72 I E E 37.52 14.65 14.41 30.11 119.90 -164.71 -111.75 131.17 1.28 98.69 0.03 1.17 0.05 0.01 0.01 0.01 0.00 98.72 0.02 73 L E E 53.29 9.42 16.88 28.06 120.94 -162.28 -110.00 134.94 1.69 98.26 0.05 1.51 0.10 0.02 0.01 0.02 0.00 98.28 0.05 74 K E E 89.23 8.85 15.45 25.75 120.48 -162.08 -113.19 133.30 4.66 95.21 0.13 3.99 0.45 0.11 0.03 0.07 0.00 95.24 0.11 75 Y E E 87.01 8.65 11.60 22.11 121.50 -161.45 -111.38 138.45 15.11 84.51 0.39 13.04 1.68 0.41 0.14 0.21 0.00 83.88 0.64 76 K E E 121.34 3.78 11.27 16.80 112.88 -137.02 -93.05 129.35 41.24 57.16 1.60 31.81 7.62 2.52 0.53 1.08 0.00 54.97 1.47 77 N C T 102.24 3.51 8.86 14.07 113.86 -122.17 -87.60 156.43 79.79 11.34 8.87 24.55 20.58 35.45 1.01 7.55 0.01 9.75 1.10 78 K C T 180.75 0.52 10.36 9.98 95.73 -45.74 -68.11 -16.59 90.38 1.16 8.46 11.04 23.73 55.54 0.89 7.61 0.00 0.83 0.36 79 T C T 99.45 1.67 9.29 11.73 100.62 47.61 -98.71 -2.90 90.17 2.46 7.38 11.18 24.05 54.98 0.81 6.55 0.00 1.84 0.58 80 G C C 46.82 2.85 10.65 14.82 104.21 -109.87 84.41 5.67 74.45 24.44 1.11 32.11 23.01 19.60 0.15 1.11 0.00 23.05 0.97 81 Y E E 125.79 5.35 9.30 16.62 119.12 135.35 -94.49 140.94 47.31 52.42 0.26 42.33 2.92 0.67 0.05 0.22 0.00 52.86 0.94 82 K E E 112.08 5.62 11.80 19.40 124.41 -169.73 -121.39 141.59 19.08 80.74 0.18 16.60 1.42 0.41 0.04 0.14 0.00 80.89 0.50 83 K E E 117.46 6.62 12.85 21.31 120.97 -153.23 -110.21 137.27 13.40 86.47 0.13 11.71 0.88 0.26 0.03 0.10 0.00 86.81 0.21 84 R E E 105.75 9.88 12.87 23.88 124.56 -167.78 -118.85 139.83 9.67 90.23 0.10 8.18 0.92 0.26 0.02 0.08 0.00 90.39 0.16 85 Q E E 105.05 6.09 15.97 23.69 122.99 -157.62 -112.11 139.55 8.14 91.79 0.07 6.79 0.85 0.23 0.01 0.06 0.00 91.88 0.18 86 G E E 22.56 11.83 13.49 26.10 134.98 170.13 -134.92 170.65 10.81 89.14 0.05 8.99 1.14 0.15 0.01 0.04 0.00 89.51 0.17 87 H E E 97.57 7.09 17.76 25.95 125.30 -105.79 -120.40 143.83 8.57 91.40 0.03 7.73 0.60 0.07 0.01 0.02 0.00 90.71 0.86 88 R E E 99.04 13.07 14.07 27.42 118.93 -141.81 -103.30 136.39 19.18 80.79 0.04 17.28 1.24 0.10 0.01 0.03 0.00 80.76 0.59 89 Q E E 70.50 10.64 16.36 27.95 120.96 -144.88 -101.07 141.21 28.45 71.52 0.03 25.48 1.56 0.08 0.00 0.02 0.00 72.56 0.29 90 K E E 106.69 8.94 18.59 28.13 113.14 -116.25 -77.33 134.26 28.25 71.73 0.03 25.83 1.13 0.07 0.00 0.02 0.00 72.67 0.27 91 Y E E 61.17 14.79 17.17 32.12 132.40 -165.81 -131.66 150.90 12.36 87.63 0.01 11.23 0.68 0.04 0.00 0.01 0.00 87.75 0.30 92 T E E 23.59 16.69 18.24 35.33 123.47 -139.91 -111.01 141.40 4.67 95.32 0.00 4.30 0.17 0.01 0.00 0.00 0.00 95.43 0.09 93 Q E E 54.33 12.29 23.29 35.77 123.30 -157.83 -114.69 135.63 2.64 97.36 0.00 2.26 0.18 0.01 0.00 0.00 0.00 97.52 0.03 94 V E E 12.81 22.95 17.62 40.51 120.33 -158.55 -111.47 129.18 1.86 98.14 0.00 1.71 0.04 0.00 0.00 0.00 0.00 98.23 0.01 95 K E E 84.36 8.19 25.42 33.98 118.89 -161.24 -108.69 130.16 0.92 99.08 0.00 0.85 0.02 0.00 0.00 0.00 0.00 99.12 0.02 96 V E E 20.10 22.00 13.65 35.57 111.84 -136.29 -86.02 122.80 1.33 98.67 0.00 1.29 0.02 0.00 0.00 0.00 0.00 98.65 0.04 97 T E E 71.75 5.17 21.02 26.77 102.67 176.44 -101.93 -24.02 8.54 91.45 0.02 6.14 1.56 0.23 0.00 0.01 0.00 91.99 0.07 98 G E E 31.91 5.66 21.97 28.35 140.63 -16.23 -170.72 165.35 12.94 87.03 0.03 7.82 4.16 0.56 0.00 0.03 0.00 87.34 0.09 99 I E E 50.86 19.87 10.81 29.27 124.15 -142.17 -120.27 133.71 12.86 87.11 0.03 12.02 0.64 0.06 0.01 0.02 0.00 85.99 1.25 100 E E E 123.52 3.49 17.49 22.06 121.86 -168.35 -117.10 138.58 34.55 65.39 0.05 33.53 0.62 0.17 0.02 0.03 0.00 64.10 1.52 101 G C C 47.54 5.87 15.08 22.05 118.75 -39.16 88.63 -175.06 99.74 0.25 0.00 99.72 0.07 0.01 0.00 0.00 0.00 0.19 0.01