# 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 110.16 5.91 12.40 19.71 113.22 -158.27 -91.51 126.17 99.86 0.08 0.06 99.79 0.08 0.05 0.03 0.00 0.00 0.03 0.01 1 T C C 85.41 4.91 10.65 17.28 112.73 -152.29 -93.79 136.37 77.63 0.64 21.73 69.13 1.10 5.70 22.58 0.92 0.00 0.25 0.33 2 N C H 81.67 6.53 10.12 18.13 107.51 -136.10 -85.97 113.90 59.02 0.56 40.42 41.42 6.76 7.96 42.00 1.39 0.00 0.20 0.27 3 K H H 134.68 2.26 14.00 16.79 95.80 -126.84 -67.37 -34.73 16.15 0.23 83.63 9.84 2.76 3.58 82.71 0.94 0.00 0.09 0.08 4 I H H 74.73 5.93 14.19 21.63 92.76 55.20 -65.04 -42.06 4.33 0.10 95.56 2.30 0.67 1.51 94.84 0.59 0.00 0.05 0.03 5 I H H 48.84 10.93 13.13 25.29 92.35 49.71 -65.08 -41.29 1.51 0.04 98.45 0.76 0.20 0.59 98.07 0.35 0.00 0.02 0.01 6 Q H H 93.97 3.80 16.41 21.07 91.79 51.50 -64.12 -40.91 0.87 0.02 99.11 0.39 0.10 0.36 98.93 0.21 0.00 0.01 0.00 7 Q H H 98.27 2.38 17.70 19.83 92.19 50.23 -64.92 -41.31 0.84 0.01 99.15 0.28 0.08 0.40 99.06 0.16 0.00 0.01 0.00 8 I H H 54.87 8.17 15.63 25.35 92.37 49.18 -64.78 -41.99 0.96 0.01 99.03 0.28 0.09 0.50 98.94 0.18 0.00 0.01 0.00 9 E H H 74.46 9.30 15.34 25.57 92.06 51.05 -63.88 -40.88 1.57 0.01 98.42 0.41 0.14 0.87 98.30 0.27 0.00 0.00 0.00 10 A H H 57.15 2.98 16.77 20.18 92.18 51.11 -64.69 -39.85 4.31 0.03 95.66 0.84 0.39 2.87 94.95 0.90 0.01 0.01 0.01 11 E H H 107.33 2.90 16.89 20.08 92.53 50.09 -67.33 -36.51 11.05 0.04 88.92 1.21 0.83 8.51 88.11 1.28 0.01 0.01 0.02 12 Q H H 66.30 10.68 13.07 24.58 94.07 51.85 -72.64 -25.94 27.70 0.17 72.13 5.09 2.74 19.57 70.32 2.08 0.02 0.07 0.10 13 M C H 92.84 8.74 12.40 22.25 95.34 67.70 -70.91 -21.62 53.41 0.83 45.77 18.49 7.67 27.75 41.29 3.93 0.04 0.35 0.46 14 N C T 124.58 1.64 15.12 16.76 97.26 56.10 -86.23 2.95 74.73 1.03 24.23 30.58 8.59 35.44 19.88 4.47 0.00 0.51 0.52 15 K C C 106.23 7.17 11.30 20.13 117.51 108.58 -88.50 143.33 91.99 1.66 6.35 60.28 24.01 7.76 4.20 2.09 0.00 0.86 0.79 16 E C C 146.95 2.00 16.66 19.26 112.01 -116.69 -83.59 129.01 93.92 4.10 1.98 85.29 5.94 2.65 0.95 0.88 0.00 2.02 2.27 17 I C C 47.11 18.88 9.65 27.26 117.11 -144.29 -94.89 133.05 98.53 1.40 0.07 91.83 6.71 0.14 0.03 0.03 0.00 0.65 0.60 18 P C C 51.95 8.66 17.48 27.46 116.23 -110.41 -67.05 151.50 99.60 0.29 0.11 94.58 3.96 1.12 0.01 0.11 0.00 0.15 0.08 19 A C C 71.86 6.15 20.74 27.85 113.38 -105.12 -72.91 138.15 98.70 1.17 0.13 89.67 7.59 1.49 0.01 0.17 0.00 0.46 0.60 20 F C C 16.90 23.43 11.14 34.09 123.05 -157.55 -110.38 141.50 92.73 7.22 0.05 90.00 2.43 0.06 0.02 0.02 0.00 1.23 6.25 21 A C C 52.50 4.44 24.61 28.76 130.66 -157.38 -117.72 161.93 99.86 0.13 0.01 99.48 0.42 0.01 0.00 0.00 0.00 0.03 0.05 22 P C T 71.02 11.34 15.51 27.41 110.71 -78.06 -59.47 137.71 99.84 0.08 0.08 0.16 1.43 98.30 0.00 0.05 0.00 0.03 0.02 23 G C T 39.77 5.22 19.79 26.07 96.03 26.07 91.15 -7.18 99.90 0.05 0.05 0.26 1.39 98.27 0.00 0.03 0.00 0.04 0.00 24 D C C 34.72 12.99 16.59 30.90 118.82 131.03 -72.50 149.53 93.33 6.67 0.01 92.32 1.24 0.02 0.00 0.00 0.00 6.27 0.14 25 T E E 52.71 10.22 22.51 33.29 119.71 -132.81 -103.23 133.68 1.28 98.72 0.00 1.35 0.02 0.00 0.00 0.00 0.00 98.52 0.11 26 V E E 4.87 24.50 16.50 41.61 125.96 -169.36 -121.91 141.05 0.13 99.87 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 27 I E E 45.66 9.58 25.68 36.42 115.53 -140.02 -101.89 125.62 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 28 V E E 3.37 25.66 16.80 43.55 119.81 -165.08 -110.58 129.43 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 29 Q E E 53.24 9.43 25.64 35.72 119.79 -162.50 -113.24 129.93 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 30 V E E 9.11 22.46 16.22 38.97 124.37 -168.47 -119.99 134.92 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 31 K E E 77.35 7.86 22.75 31.28 116.64 -151.14 -103.06 127.14 1.08 98.92 0.00 1.00 0.02 0.00 0.00 0.00 0.00 98.96 0.01 32 V E E 20.34 17.75 12.97 31.13 124.54 -170.93 -118.68 140.58 3.76 96.23 0.01 3.27 0.23 0.02 0.00 0.00 0.00 96.40 0.08 33 K E E 110.90 4.94 15.19 21.63 116.05 -139.56 -101.58 127.95 14.50 85.41 0.09 12.36 1.52 0.25 0.01 0.06 0.00 85.43 0.36 34 E E E 98.11 7.14 9.59 18.35 114.84 -176.46 -122.22 113.42 36.44 61.27 2.29 12.85 10.44 15.14 0.21 2.22 0.00 58.26 0.87 35 G C T 62.10 0.67 12.34 12.13 109.59 -38.97 65.24 -133.53 97.28 0.49 2.23 3.34 15.79 77.65 0.09 2.65 0.00 0.36 0.12 36 D C T 139.86 0.31 10.58 9.27 97.23 -27.74 -87.88 4.50 96.88 0.74 2.37 4.32 25.15 67.05 0.10 2.68 0.00 0.55 0.16 37 R E E 143.57 2.39 9.70 13.93 122.32 90.38 -103.84 144.44 29.96 69.78 0.27 16.40 13.05 2.55 0.04 0.26 0.00 66.67 1.02 38 Q E E 113.63 5.78 9.88 17.78 118.13 -139.56 -97.03 133.72 16.97 82.97 0.06 14.07 1.72 0.33 0.01 0.05 0.00 83.58 0.24 39 R E E 107.80 5.75 14.29 21.90 127.79 -176.49 -128.28 146.70 5.65 94.33 0.02 4.80 0.43 0.06 0.00 0.01 0.00 94.61 0.09 40 L E E 86.42 9.88 13.95 24.89 117.08 -126.02 -90.63 132.74 2.15 97.85 0.00 1.94 0.08 0.00 0.00 0.00 0.00 97.95 0.02 41 Q E E 57.47 11.70 16.90 29.59 129.19 -175.19 -127.44 146.26 0.86 99.14 0.00 0.77 0.03 0.00 0.00 0.00 0.00 99.18 0.00 42 A E E 47.57 10.89 19.66 31.02 119.42 -131.60 -95.29 137.97 0.37 99.63 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 43 F E E 15.70 20.37 17.00 37.61 132.84 -176.28 -132.66 153.68 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 44 E E E 74.98 10.88 25.25 36.19 124.51 -144.50 -112.99 138.80 0.52 99.48 0.00 0.41 0.02 0.00 0.00 0.00 0.00 99.57 0.00 45 G E E 4.19 18.68 22.77 41.52 144.95 126.02 -156.95 -173.49 1.11 98.89 0.00 0.78 0.11 0.00 0.00 0.00 0.00 99.10 0.00 46 V E E 31.23 13.51 26.44 40.87 121.33 -69.11 -109.41 137.15 0.36 99.64 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.00 47 V E E 6.01 24.52 18.84 44.34 109.55 -118.07 -75.05 123.99 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 48 I E E 34.43 14.54 24.19 39.21 100.94 174.21 -99.61 -28.68 0.53 99.47 0.00 0.36 0.07 0.00 0.00 0.00 0.00 99.56 0.00 49 A E E 22.86 10.61 25.34 37.13 143.42 -2.06 -160.87 155.90 0.58 99.42 0.00 0.42 0.07 0.00 0.00 0.00 0.00 99.50 0.01 50 K E E 66.55 19.13 15.44 33.33 127.27 -152.26 -130.67 134.67 4.32 95.67 0.00 4.12 0.14 0.01 0.00 0.00 0.00 95.50 0.22 51 R C E 105.07 7.50 18.07 26.52 124.10 -167.31 -119.23 141.19 51.00 48.93 0.07 42.04 6.92 0.71 0.01 0.07 0.00 49.68 0.56 52 N C S 117.58 3.60 15.14 20.20 99.75 -57.69 45.18 51.11 84.10 15.73 0.16 39.86 39.93 3.76 0.02 0.21 0.00 15.68 0.55 53 R C C 145.33 4.33 12.46 18.38 112.09 137.83 -113.69 91.70 87.39 12.11 0.49 43.43 40.04 4.24 0.08 0.53 0.00 9.36 2.32 54 G C S 44.75 2.70 15.50 18.75 124.13 -30.82 82.34 -157.12 86.74 4.03 9.23 8.94 53.59 24.16 0.50 9.01 0.00 2.32 1.47 55 L C T 120.67 4.38 13.93 19.55 94.52 -35.41 -71.40 -20.52 87.89 0.87 11.24 2.04 19.04 64.75 0.19 13.17 0.00 0.52 0.29 56 N C T 88.05 7.11 16.05 24.03 101.00 47.57 -100.26 19.81 82.79 6.23 10.98 7.49 16.20 57.15 0.24 13.01 0.00 5.42 0.48 57 S C C 18.77 13.87 14.74 30.13 117.32 125.66 -82.65 144.09 66.54 32.80 0.66 60.67 3.74 0.89 0.07 0.62 0.00 33.37 0.65 58 A E E 21.82 12.90 21.96 35.62 135.15 160.07 -136.04 155.82 9.06 90.92 0.02 8.05 0.63 0.04 0.00 0.01 0.00 91.03 0.25 59 F E E 11.51 22.48 19.47 42.11 124.81 -150.64 -120.43 140.57 0.63 99.37 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.43 0.01 60 T E E 22.33 13.15 25.37 39.46 121.50 -154.43 -112.95 134.93 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 61 V E E 5.34 23.79 19.49 43.77 122.40 -166.06 -115.97 134.29 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 62 R E E 64.39 13.15 23.75 36.81 124.06 -166.58 -116.81 136.22 0.52 99.48 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 63 K E E 49.32 14.64 18.64 33.44 131.33 -169.22 -129.79 149.97 1.35 98.65 0.00 1.07 0.13 0.00 0.00 0.00 0.00 98.78 0.01 64 I E E 66.24 10.90 16.25 28.30 116.75 -133.04 -104.81 125.94 4.28 95.70 0.02 3.54 0.52 0.04 0.00 0.01 0.00 95.78 0.11 65 S E E 42.26 9.98 11.71 23.13 125.97 168.28 -136.28 135.46 9.92 89.94 0.15 7.00 2.40 0.62 0.03 0.11 0.00 89.08 0.76 66 N C T 140.49 0.92 14.02 14.34 93.05 -13.92 52.31 43.48 99.25 0.45 0.30 0.51 7.13 91.70 0.01 0.27 0.00 0.33 0.06 67 G C T 58.62 2.19 13.31 16.09 94.95 -49.24 81.46 1.44 99.58 0.22 0.19 0.50 7.13 91.98 0.01 0.19 0.00 0.16 0.03 68 V E E 71.92 6.37 14.64 22.75 122.57 105.43 -111.70 134.78 5.36 94.61 0.03 3.52 1.53 0.17 0.01 0.02 0.00 94.41 0.34 69 G E E 25.53 12.98 14.31 27.85 120.37 -138.55 -90.62 144.64 2.63 97.37 0.00 2.07 0.24 0.01 0.00 0.00 0.00 97.65 0.03 70 V E E 35.12 13.15 18.28 32.64 125.29 -167.28 -125.15 136.27 1.03 98.97 0.00 0.93 0.03 0.00 0.00 0.00 0.00 99.03 0.01 71 E E E 76.95 14.25 18.63 32.59 122.69 -156.69 -112.98 133.76 0.89 99.11 0.00 0.74 0.03 0.00 0.00 0.00 0.00 99.22 0.00 72 R E E 62.83 14.45 20.07 34.53 130.65 -174.06 -132.61 143.90 0.23 99.77 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 73 T E E 52.85 13.31 21.90 34.98 121.76 -150.18 -113.53 132.70 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 74 F E E 19.92 19.90 18.02 37.90 131.51 -175.78 -130.98 148.36 0.61 99.39 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.42 0.02 75 Q E E 74.35 8.83 24.00 32.98 114.11 -113.68 -76.03 140.12 10.78 89.19 0.03 9.35 1.00 0.21 0.01 0.03 0.00 89.12 0.28 76 T C T 26.51 20.79 16.57 36.57 94.73 -120.81 -64.35 -28.79 91.48 7.40 1.12 13.05 24.15 53.91 0.06 1.31 0.00 7.00 0.53 77 Y C T 111.04 9.45 22.32 32.12 96.40 56.04 -88.91 4.57 94.76 4.21 1.04 15.36 25.31 53.86 0.06 1.36 0.00 3.13 0.92 78 S C C 13.58 19.37 14.15 33.78 112.93 127.36 -72.31 132.42 95.40 3.87 0.73 75.87 18.43 1.19 0.14 0.74 0.00 2.51 1.12 79 P C T 81.45 6.02 22.12 29.00 92.90 -136.21 -67.02 -18.71 95.30 2.30 2.40 5.58 25.18 64.55 0.40 2.18 0.00 1.80 0.31 80 I C T 46.25 14.74 18.86 33.64 95.51 60.71 -89.61 -8.84 80.08 16.78 3.13 7.09 11.02 62.92 0.57 2.65 0.01 14.98 0.77 81 V E E 9.14 24.91 12.34 37.24 111.14 102.06 -84.76 120.38 12.42 87.40 0.17 11.63 0.86 0.12 0.07 0.09 0.00 86.28 0.97 82 D E E 83.61 4.91 22.52 28.07 99.61 177.51 -93.47 -31.94 11.17 88.67 0.16 8.29 2.26 0.19 0.04 0.07 0.00 89.03 0.11 83 S E E 45.05 6.08 24.44 31.36 142.92 -0.76 -158.59 157.60 2.17 97.69 0.14 1.63 0.23 0.04 0.04 0.04 0.00 97.99 0.02 84 L E E 21.04 24.18 13.26 36.99 126.95 -161.84 -132.18 133.84 1.06 98.82 0.12 0.96 0.04 0.01 0.04 0.03 0.00 98.91 0.01 85 S E E 47.90 6.34 25.50 32.14 125.55 -172.11 -123.47 141.44 0.83 99.06 0.11 0.75 0.03 0.01 0.03 0.03 0.00 99.15 0.01 86 V E E 34.50 20.47 14.02 33.83 116.94 -151.22 -102.66 125.94 1.89 98.03 0.08 1.82 0.05 0.01 0.03 0.02 0.00 98.02 0.05 87 K E E 101.91 6.56 20.34 27.44 105.43 -171.03 -105.98 -17.15 7.92 91.96 0.12 6.97 0.66 0.08 0.04 0.05 0.00 92.02 0.18 88 R E E 116.48 8.85 16.68 26.23 129.28 -1.26 -139.44 142.90 22.72 77.05 0.23 20.00 2.12 0.30 0.08 0.13 0.00 76.78 0.58 89 R C C 127.83 9.39 14.26 24.60 117.94 -155.91 -105.68 133.14 61.61 37.20 1.19 49.16 9.04 2.29 0.35 0.78 0.00 37.07 1.30 90 G C C 32.93 7.24 15.26 23.52 131.58 89.68 -114.41 -176.18 87.11 9.45 3.43 50.39 29.94 7.38 1.19 2.00 0.00 7.93 1.18 91 D C C 106.23 3.16 17.22 20.96 110.09 -65.92 -87.31 113.67 88.46 5.45 6.09 66.74 16.33 5.54 3.42 2.67 0.00 3.92 1.38 92 V C C 53.08 14.90 10.69 25.16 107.11 -141.72 -88.44 70.42 73.52 4.36 22.11 57.32 8.98 6.89 14.79 7.80 0.01 2.82 1.41 93 R C C 138.86 5.20 16.59 22.78 100.43 98.33 -79.92 -21.96 71.37 3.13 25.50 51.43 10.77 8.66 17.19 8.98 0.01 1.89 1.07 94 K C C 114.99 7.57 16.07 24.28 99.56 51.31 -77.09 -20.97 63.35 3.08 33.56 42.06 11.31 9.47 21.49 12.82 0.02 1.83 1.01 95 A C C 40.76 12.83 13.54 26.69 98.75 82.66 -73.56 -19.53 64.11 2.55 33.34 42.48 11.13 9.61 22.66 11.74 0.01 1.66 0.71 96 K C C 115.01 6.89 19.08 26.30 101.24 65.98 -82.53 16.33 62.98 6.52 30.50 44.72 8.67 8.98 21.68 9.55 0.02 5.13 1.25 97 L C C 41.83 17.07 13.79 30.36 106.20 88.19 -83.72 94.24 54.42 14.87 30.71 45.79 4.99 3.77 24.52 6.46 0.02 12.65 1.80 98 Y H H 105.93 8.62 19.30 28.32 97.98 113.23 -75.74 -32.25 37.99 18.99 43.01 23.91 6.36 8.17 32.08 10.64 0.06 17.32 1.46 99 Y H H 84.00 10.69 18.35 29.35 102.86 47.45 -91.57 -7.92 31.73 25.96 42.31 18.15 5.56 9.10 29.72 12.06 0.13 23.54 1.74 100 L H H 36.95 17.87 14.81 31.90 99.22 82.95 -81.07 -16.32 23.48 23.57 52.95 16.79 3.59 4.39 32.54 19.41 0.04 22.11 1.13 101 R H H 116.61 9.11 16.72 26.51 94.73 87.20 -66.58 -31.64 29.87 20.46 49.67 13.69 6.05 11.48 29.34 19.56 0.28 18.13 1.47 102 A C H 73.15 3.86 18.21 22.48 96.58 53.81 -86.53 -4.12 44.64 12.97 42.39 16.91 9.22 18.88 23.77 18.37 0.35 10.99 1.50 103 L C C 51.17 15.52 10.12 25.17 111.45 99.68 -84.69 119.68 70.41 6.94 22.65 48.16 13.97 7.95 17.59 5.72 0.02 4.96 1.61 104 S C C 70.78 4.96 15.40 21.50 116.94 -166.66 -103.05 141.03 75.94 3.98 20.08 46.63 13.24 15.18 16.67 4.56 0.01 2.36 1.36 105 G C H 45.16 4.24 15.78 20.78 111.48 11.20 72.53 -138.46 62.67 1.49 35.84 17.48 21.90 24.06 26.55 8.49 0.07 0.71 0.74 106 K H H 127.60 5.07 15.59 21.68 96.50 -4.04 -70.38 -31.41 41.95 1.79 56.26 15.38 10.68 16.50 40.70 14.89 0.10 1.10 0.64 107 A H H 44.01 9.82 13.80 24.68 94.94 62.34 -68.99 -31.36 35.05 3.75 61.20 16.59 7.10 11.78 43.25 17.54 0.10 2.80 0.83 108 A H H 42.22 10.13 14.15 25.31 96.32 62.14 -73.71 -23.67 35.46 5.41 59.13 20.93 6.51 8.82 43.84 14.55 0.06 4.29 0.99 109 R H H 126.50 6.17 16.92 23.82 101.84 67.26 -83.58 5.03 39.25 10.13 50.62 25.11 7.39 8.16 39.95 9.47 0.08 8.16 1.67 110 I H H 64.68 12.49 12.39 25.19 107.02 108.86 -84.25 93.96 41.61 12.94 45.44 30.22 6.56 5.64 39.95 4.95 0.05 10.84 1.80 111 K C H 116.72 6.53 14.46 22.02 107.88 91.55 -87.30 92.57 45.52 12.85 41.63 33.13 6.19 5.95 37.06 4.73 0.04 11.34 1.56 112 E C C 114.06 6.02 12.21 19.62 106.66 76.78 -83.61 82.76 50.40 12.43 37.16 33.57 8.34 8.02 31.49 6.06 0.05 10.89 1.58 113 K C C 128.63 4.81 12.10 18.46 106.95 72.11 -85.25 74.71 57.45 12.17 30.38 37.65 8.78 9.97 25.06 6.29 0.04 10.50 1.70 114 L C C 100.13 6.47 10.42 18.24 105.33 127.52 -87.23 45.49 70.14 7.84 22.02 57.97 2.13 9.43 18.52 3.84 0.00 6.03 2.08 115 V C C 83.00 7.97 11.65 20.70 109.46 83.49 -91.62 101.98 99.78 0.16 0.07 99.67 0.09 0.08 0.04 0.00 0.00 0.10 0.01