# 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 102.22 7.24 11.80 20.27 115.19 141.73 -95.23 132.73 99.89 0.08 0.04 99.80 0.09 0.04 0.02 0.00 0.00 0.03 0.01 1 N C C 102.61 3.32 11.99 16.62 110.46 -145.49 -85.59 125.12 84.89 0.78 14.33 80.47 0.85 3.09 14.26 0.65 0.00 0.29 0.39 2 R H H 146.10 5.20 11.40 18.09 96.27 -137.17 -68.09 -24.44 33.48 0.28 66.24 15.81 5.28 12.36 64.44 1.83 0.01 0.10 0.15 3 G H H 35.72 5.19 13.00 19.60 94.90 54.22 -63.69 -39.31 23.09 0.17 76.74 10.35 3.55 9.04 75.28 1.62 0.00 0.06 0.09 4 A H H 59.23 2.73 15.37 18.49 93.67 54.39 -65.83 -39.53 6.73 0.10 93.17 3.86 1.09 2.06 91.96 0.94 0.00 0.04 0.03 5 L H H 65.73 7.26 15.30 23.87 92.56 51.23 -65.14 -41.66 2.39 0.07 97.53 1.22 0.35 0.93 97.03 0.42 0.00 0.04 0.01 6 I H H 50.44 11.05 14.75 26.86 92.38 50.08 -65.05 -41.59 1.18 0.04 98.77 0.58 0.14 0.46 98.56 0.22 0.00 0.03 0.01 7 K H H 113.74 3.41 18.15 21.99 91.97 51.20 -64.11 -41.00 1.02 0.03 98.95 0.44 0.11 0.43 98.83 0.17 0.00 0.02 0.00 8 L H H 79.39 3.43 18.04 21.83 92.04 50.23 -64.85 -41.77 1.26 0.03 98.71 0.41 0.13 0.64 98.60 0.19 0.00 0.02 0.00 9 V H H 39.02 10.24 15.72 27.35 92.67 49.14 -65.33 -41.64 1.89 0.05 98.07 0.57 0.21 1.03 97.84 0.31 0.00 0.03 0.01 10 E H H 72.83 10.10 15.42 26.28 92.50 51.04 -64.47 -40.56 3.65 0.04 96.31 0.91 0.39 2.22 95.90 0.54 0.01 0.02 0.01 11 S H H 66.03 3.24 17.07 20.72 92.93 50.59 -67.14 -37.61 11.00 0.05 88.95 1.34 0.93 8.60 87.52 1.53 0.02 0.02 0.03 12 R H H 137.05 3.26 17.04 20.75 94.76 47.23 -74.26 -33.37 25.44 0.09 74.47 2.32 2.17 20.88 72.32 2.17 0.03 0.03 0.06 13 Y H H 86.61 10.42 14.08 25.20 98.86 41.69 -87.67 -20.71 44.92 0.66 54.42 11.14 7.21 27.69 49.91 3.33 0.07 0.27 0.39 14 V C C 58.51 11.41 12.78 24.80 99.74 67.07 -77.94 -17.91 62.56 2.55 34.90 38.38 9.96 14.47 28.30 6.36 0.02 1.23 1.27 15 R C C 137.79 5.66 14.19 21.09 100.62 69.81 -79.49 -7.24 71.72 2.47 25.81 48.63 9.06 13.34 18.37 8.06 0.00 1.31 1.21 16 T C C 87.50 4.77 14.24 20.17 103.71 70.33 -89.18 -6.05 79.80 2.09 18.11 43.10 21.22 15.84 9.52 8.22 0.01 0.99 1.11 17 D C C 102.44 3.95 15.72 20.82 105.04 33.45 -93.28 69.84 91.09 1.65 7.26 62.68 15.21 13.26 2.37 4.74 0.00 0.85 0.90 18 L C C 48.99 17.52 10.68 27.27 117.67 136.12 -91.30 135.16 99.11 0.76 0.13 82.70 16.10 0.32 0.05 0.07 0.00 0.28 0.48 19 P C C 46.52 10.60 16.43 28.26 115.76 -110.40 -67.59 152.70 99.64 0.20 0.15 94.21 4.03 1.44 0.03 0.12 0.00 0.09 0.08 20 E C C 124.87 4.97 21.57 27.48 112.05 -107.82 -78.49 131.99 99.03 0.81 0.16 88.60 8.42 1.95 0.02 0.20 0.00 0.27 0.54 21 F C C 17.85 23.75 10.76 33.84 123.34 -158.60 -110.10 141.38 96.94 3.03 0.03 94.29 2.23 0.05 0.01 0.01 0.00 0.50 2.91 22 R C C 122.67 3.73 24.40 28.27 129.17 -161.66 -120.19 157.15 99.88 0.11 0.01 99.56 0.35 0.01 0.00 0.00 0.00 0.02 0.05 23 P C T 68.29 12.09 15.31 27.81 110.83 -82.06 -59.53 137.24 99.85 0.06 0.08 0.14 1.17 98.60 0.00 0.04 0.00 0.03 0.02 24 G C T 38.68 5.38 19.84 26.33 96.30 26.51 91.01 -6.96 99.92 0.04 0.04 0.20 1.12 98.63 0.00 0.03 0.00 0.03 0.00 25 D C C 32.40 12.98 16.39 30.83 118.55 131.54 -72.64 149.35 93.55 6.45 0.01 92.64 1.15 0.02 0.00 0.00 0.00 6.05 0.14 26 T E E 53.25 9.87 22.16 32.68 118.95 -133.01 -102.05 132.75 1.28 98.72 0.00 1.35 0.02 0.00 0.00 0.00 0.00 98.50 0.13 27 V E E 5.96 24.12 15.79 40.38 127.40 -170.15 -123.32 142.77 0.21 99.79 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 28 R E E 96.89 8.10 25.45 34.03 115.68 -137.66 -99.24 126.47 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 29 V E E 4.49 25.17 16.05 42.06 120.48 -166.36 -112.54 132.33 0.22 99.78 0.00 0.19 0.01 0.00 0.00 0.00 0.00 99.81 0.00 30 S E E 25.80 9.99 24.18 35.20 124.24 -166.46 -118.19 139.30 0.19 99.81 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 31 Y E E 26.83 19.83 16.56 36.43 127.86 -170.96 -128.20 141.13 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 32 K E E 83.83 8.19 20.49 29.58 116.75 -144.21 -103.36 127.09 0.86 99.14 0.00 0.79 0.01 0.00 0.00 0.00 0.00 99.19 0.01 33 V E E 28.44 14.82 12.83 28.65 124.35 -170.47 -117.43 141.60 2.64 97.36 0.00 2.25 0.16 0.01 0.00 0.00 0.00 97.55 0.04 34 K E E 114.14 4.93 13.73 20.44 115.80 -138.40 -101.84 126.85 9.52 90.44 0.05 7.86 1.06 0.15 0.01 0.03 0.00 90.66 0.22 35 E E E 99.90 6.16 9.43 17.39 114.07 -178.03 -124.36 109.10 23.15 76.00 0.85 11.72 7.14 5.54 0.10 0.89 0.00 73.93 0.68 36 G C T 63.36 0.55 12.03 11.44 109.70 -45.91 63.96 -128.56 98.51 0.44 1.05 2.28 14.68 81.27 0.03 1.31 0.00 0.34 0.09 37 N C T 149.78 0.28 10.40 8.98 97.02 -22.49 -88.51 2.84 98.59 0.43 0.98 2.37 17.87 78.15 0.03 1.19 0.00 0.32 0.08 38 R E E 143.63 2.40 9.88 14.16 122.07 90.09 -106.17 142.62 20.61 79.28 0.11 12.98 7.50 1.00 0.02 0.10 0.00 77.71 0.69 39 T E E 84.63 6.37 9.91 18.26 119.17 -144.76 -103.53 134.87 10.57 89.42 0.01 9.21 0.51 0.05 0.00 0.00 0.00 90.12 0.10 40 R E E 102.61 6.19 14.09 22.21 129.17 -177.19 -130.35 148.99 2.67 97.32 0.00 2.38 0.10 0.01 0.00 0.00 0.00 97.48 0.03 41 I E E 88.50 9.46 14.21 24.90 118.26 -134.79 -101.53 131.69 0.91 99.09 0.00 0.86 0.01 0.00 0.00 0.00 0.00 99.12 0.01 42 Q E E 54.73 11.92 16.08 29.11 128.81 -176.16 -128.42 145.96 0.41 99.59 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.00 43 D E E 73.03 9.39 19.50 29.57 118.38 -133.41 -97.47 133.98 0.34 99.66 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.70 0.00 44 F E E 15.62 20.48 16.20 36.93 132.18 -175.97 -132.57 152.25 0.31 99.69 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.73 0.00 45 E E E 74.56 10.44 25.14 35.73 123.39 -144.60 -113.09 138.73 0.78 99.22 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.34 0.00 46 G E E 4.20 18.52 22.39 41.09 144.95 124.68 -152.92 -173.38 1.13 98.87 0.00 0.82 0.08 0.00 0.00 0.00 0.00 99.09 0.00 47 I E E 34.24 13.48 26.05 40.43 121.19 -68.53 -109.95 137.06 0.29 99.71 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 48 V E E 6.06 24.35 18.29 43.63 109.66 -118.52 -75.59 124.10 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 49 I E E 37.54 13.60 23.66 37.83 100.93 174.51 -99.54 -31.44 0.53 99.47 0.00 0.37 0.07 0.00 0.00 0.00 0.00 99.56 0.00 50 R E E 83.82 7.72 25.67 34.37 140.29 -0.12 -156.45 150.37 0.37 99.63 0.00 0.28 0.03 0.00 0.00 0.00 0.00 99.68 0.00 51 I E E 45.48 20.25 14.52 33.83 122.65 -157.08 -122.78 128.15 1.52 98.47 0.00 1.45 0.04 0.00 0.00 0.00 0.00 98.47 0.04 52 R E E 103.66 6.56 19.11 26.55 122.58 -172.66 -119.82 134.09 17.45 82.53 0.02 15.40 1.24 0.12 0.00 0.02 0.00 82.95 0.28 53 R C E 149.77 6.05 13.12 21.01 110.65 -126.63 -83.57 117.80 55.50 44.40 0.10 35.50 17.73 1.57 0.01 0.11 0.00 44.64 0.44 54 N C C 104.21 3.40 12.62 17.51 118.44 166.22 -123.92 123.67 80.26 19.40 0.34 51.85 24.99 2.94 0.06 0.36 0.00 18.51 1.29 55 G C S 51.41 1.92 14.56 16.92 118.14 -39.09 78.32 -150.01 94.98 2.74 2.29 7.78 62.72 24.66 0.13 2.20 0.00 1.90 0.60 56 F C S 152.30 3.79 13.15 18.19 95.31 -26.57 -77.94 -18.13 96.34 1.48 2.17 4.33 46.43 45.51 0.08 2.35 0.00 1.01 0.29 57 N C T 79.97 7.54 15.40 24.02 116.19 55.14 -110.38 126.54 75.29 23.00 1.71 23.13 23.81 28.85 0.08 2.12 0.00 21.35 0.67 58 T E E 26.51 14.74 14.82 30.50 121.99 128.78 -108.87 140.97 44.56 55.34 0.09 41.22 1.76 0.21 0.01 0.07 0.00 56.37 0.35 59 T E E 31.38 11.72 21.93 34.62 128.52 -170.87 -126.85 145.73 4.53 95.46 0.01 4.06 0.21 0.01 0.00 0.00 0.00 95.62 0.10 60 F E E 10.41 22.62 18.53 41.39 125.55 -161.42 -120.39 140.83 0.40 99.60 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 61 T E E 21.65 12.65 25.31 39.09 120.36 -153.19 -110.78 132.99 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 62 V E E 4.84 23.86 19.53 43.92 121.49 -164.85 -113.78 133.01 0.25 99.75 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 63 R E E 57.39 13.58 23.57 37.15 123.06 -165.76 -113.84 136.34 0.94 99.05 0.00 0.81 0.04 0.00 0.00 0.00 0.00 99.13 0.01 64 K E E 46.34 15.25 18.89 34.19 128.50 -171.05 -122.29 144.34 2.42 97.57 0.01 2.02 0.19 0.02 0.00 0.00 0.00 97.72 0.04 65 V E E 55.37 11.42 16.67 29.14 117.23 -141.72 -105.76 125.98 7.36 92.59 0.05 6.21 0.83 0.11 0.01 0.03 0.00 92.55 0.26 66 S E E 42.04 9.77 12.23 23.54 126.95 169.00 -135.72 139.10 15.60 84.08 0.32 10.89 4.00 1.32 0.08 0.25 0.00 82.26 1.21 67 Y C T 194.42 1.37 14.27 15.75 93.90 -14.80 51.61 44.96 98.14 1.24 0.62 1.65 12.42 84.12 0.04 0.62 0.00 0.97 0.18 68 G C T 58.27 2.26 13.85 16.59 95.74 -46.12 82.23 0.34 99.11 0.49 0.41 1.54 12.51 85.04 0.02 0.44 0.00 0.37 0.07 69 V E E 69.09 7.16 14.56 23.39 123.14 102.92 -113.32 135.78 10.61 89.30 0.09 7.16 2.98 0.50 0.02 0.06 0.00 88.71 0.57 70 G E E 24.09 13.31 14.57 28.38 121.21 -146.38 -94.27 146.33 3.88 96.11 0.01 3.19 0.34 0.02 0.00 0.00 0.00 96.38 0.06 71 V E E 34.66 13.46 18.63 33.21 124.74 -165.57 -124.63 135.84 1.34 98.66 0.00 1.23 0.05 0.00 0.00 0.00 0.00 98.70 0.02 72 E E E 72.34 14.74 18.76 33.10 122.14 -157.87 -111.76 132.60 1.00 99.00 0.00 0.86 0.03 0.00 0.00 0.00 0.00 99.09 0.01 73 R E E 61.16 14.58 20.36 34.92 128.59 -173.58 -127.73 140.96 0.28 99.72 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.76 0.00 74 I E E 62.29 13.56 22.00 35.37 119.91 -151.49 -112.22 127.95 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 75 F E E 16.51 20.20 18.43 38.78 125.42 -174.09 -126.11 136.75 0.62 99.38 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.42 0.01 76 P E E 41.18 9.29 24.01 34.13 113.20 -112.05 -67.37 143.50 7.37 92.61 0.02 6.38 0.48 0.09 0.00 0.01 0.00 92.83 0.21 77 L C T 30.22 21.15 16.41 36.99 92.78 -116.50 -61.27 -29.08 95.91 3.25 0.84 5.78 11.20 79.03 0.05 0.89 0.00 2.78 0.29 78 H C T 99.21 8.85 22.19 31.65 95.05 57.21 -88.10 4.25 98.07 1.30 0.63 4.97 12.58 80.37 0.03 0.79 0.00 0.97 0.28 79 S C C 15.71 18.14 13.74 32.45 112.52 126.38 -72.08 132.74 97.21 2.41 0.37 67.45 29.11 0.84 0.08 0.33 0.00 1.16 1.04 80 P C T 81.26 5.85 21.65 28.26 93.90 -129.88 -66.27 -17.91 96.45 1.61 1.94 5.75 20.30 70.57 0.38 1.55 0.00 1.17 0.27 81 L C T 48.82 14.10 18.63 32.75 94.85 62.38 -82.67 -7.57 88.02 9.71 2.27 8.84 11.47 68.25 0.68 1.64 0.01 8.61 0.50 82 I E E 12.29 24.18 12.12 36.09 111.11 99.72 -83.97 119.01 11.45 88.27 0.28 10.85 0.69 0.11 0.13 0.11 0.00 87.06 1.06 83 Q E E 97.74 5.08 22.11 27.86 99.70 177.66 -91.77 -33.74 9.91 89.85 0.24 7.66 1.55 0.16 0.07 0.08 0.00 90.39 0.09 84 K E E 93.52 5.03 24.58 30.40 139.95 -0.01 -153.91 152.06 2.16 97.75 0.09 1.67 0.19 0.03 0.02 0.03 0.00 98.04 0.02 85 I E E 19.63 24.38 12.62 36.64 123.70 -160.39 -128.42 129.27 1.07 98.86 0.07 1.00 0.03 0.01 0.02 0.01 0.00 98.91 0.01 86 D E E 69.22 5.28 25.31 30.67 121.42 -170.89 -120.90 130.43 0.99 98.94 0.08 0.91 0.03 0.01 0.03 0.01 0.00 99.00 0.01 87 I E E 54.70 17.87 13.83 31.24 111.35 -134.69 -84.37 122.53 3.36 96.49 0.14 3.28 0.08 0.03 0.09 0.03 0.00 96.41 0.09 88 V E E 70.27 6.79 18.54 26.56 101.84 175.78 -97.21 -31.27 20.17 79.29 0.54 16.48 2.79 0.66 0.22 0.27 0.00 79.27 0.30 89 Q E E 85.85 5.94 19.27 26.34 135.49 1.90 -147.44 147.19 33.52 65.60 0.89 24.83 7.63 1.46 0.33 0.49 0.00 64.67 0.60 90 R C C 122.65 12.07 13.86 26.29 121.57 -159.42 -116.28 132.24 66.07 31.86 2.07 53.02 9.12 2.55 0.83 1.04 0.00 32.46 0.97 91 G C C 28.56 9.16 15.16 25.12 127.24 -158.63 -114.40 174.30 83.67 9.06 7.27 53.56 23.18 7.20 4.70 2.56 0.01 7.51 1.29 92 R C C 161.20 3.20 17.48 21.47 109.42 -75.26 -83.31 123.14 77.98 6.71 15.31 55.00 15.99 7.01 10.99 4.61 0.01 4.68 1.72 93 A C C 45.18 14.02 11.41 25.09 113.17 -125.68 -85.34 133.86 69.66 5.53 24.81 53.03 9.85 6.71 17.10 7.94 0.01 3.87 1.49 94 R C C 132.59 6.68 15.71 23.50 109.05 -154.25 -90.21 106.53 70.15 5.33 24.53 53.80 9.42 6.70 16.99 7.92 0.01 3.73 1.44 95 R C C 130.39 7.94 16.07 24.74 106.79 -11.45 -85.33 85.01 67.31 5.05 27.63 50.73 9.56 6.86 19.05 8.97 0.02 3.40 1.42 96 A C C 38.30 14.62 13.39 27.72 108.47 -123.23 -80.97 117.05 70.02 3.76 26.22 52.17 10.05 7.26 18.52 8.40 0.01 2.66 0.92 97 K C C 114.24 7.14 19.36 26.80 106.92 -156.50 -85.64 98.68 68.33 7.07 24.60 50.74 9.31 7.64 17.35 7.97 0.02 5.51 1.47 98 L C C 41.49 17.48 14.09 30.86 104.48 84.03 -88.16 54.19 60.70 12.54 26.77 51.83 5.06 3.96 17.75 9.11 0.01 10.28 1.99 99 Y C C 102.58 9.03 18.58 27.99 98.52 152.58 -75.96 -29.60 43.03 15.96 41.00 26.65 7.21 9.36 23.29 18.17 0.06 13.63 1.63 100 F H H 78.83 10.28 17.71 28.53 95.94 58.58 -77.21 -24.14 38.20 20.18 41.62 20.04 7.41 12.04 21.22 20.27 0.29 16.84 1.89 101 I H G 31.48 18.03 13.49 31.12 98.13 59.43 -85.77 -3.27 33.81 18.75 47.43 21.92 5.60 7.29 20.69 27.08 0.09 15.57 1.76 102 R C T 114.00 9.12 15.66 25.74 94.03 95.97 -66.42 -31.34 48.75 15.36 35.89 12.74 7.93 28.26 16.35 19.97 0.24 12.82 1.70 103 N C T 114.80 2.63 17.74 20.48 97.67 45.96 -92.28 5.13 63.05 6.96 29.99 14.66 11.54 36.69 11.89 18.11 0.07 6.03 1.00 104 L C C 42.84 16.25 9.30 25.02 112.34 123.26 -80.81 128.35 81.94 4.80 13.25 62.80 13.11 5.63 9.00 4.55 0.00 3.30 1.60 105 S C C 77.22 3.71 16.07 20.54 101.70 -163.83 -91.37 -10.88 82.41 2.99 14.59 53.92 17.01 10.59 12.29 3.33 0.00 1.59 1.27 106 D C C 68.02 6.77 13.60 21.70 114.02 70.48 -89.79 135.78 69.21 1.81 28.98 30.54 24.86 13.67 24.79 4.47 0.02 0.85 0.81 107 R H H 137.37 5.40 13.88 20.80 94.71 -122.00 -64.85 -33.36 27.82 1.11 71.07 11.31 6.90 10.68 58.88 11.09 0.07 0.77 0.32 108 E H H 100.95 3.77 16.09 20.71 92.88 56.20 -65.66 -38.34 22.34 1.93 75.73 10.33 4.25 8.57 62.33 12.44 0.06 1.64 0.37 109 I H H 44.84 9.64 13.62 25.00 93.30 51.34 -67.64 -38.81 20.30 3.02 76.68 12.14 3.68 5.79 63.65 11.56 0.04 2.68 0.47 110 R H H 90.03 8.79 14.50 24.53 92.99 55.22 -65.32 -39.64 24.75 4.66 70.60 16.82 4.43 5.58 62.13 6.40 0.04 3.79 0.80 111 R H H 118.79 4.01 15.97 20.79 93.69 52.51 -67.52 -38.72 27.93 5.33 66.74 18.84 4.84 6.02 60.34 4.79 0.04 4.29 0.86 112 K H H 108.27 4.00 15.12 20.03 94.29 52.36 -68.93 -36.54 31.06 4.92 64.02 21.20 4.62 6.52 58.13 4.76 0.03 3.91 0.83 113 L H H 70.85 8.19 11.69 21.25 94.74 55.59 -68.60 -35.84 36.09 3.70 60.21 22.87 5.66 8.83 53.77 5.36 0.03 2.66 0.82 114 R H H 140.87 4.16 12.13 17.79 95.29 55.86 -71.07 -28.80 46.09 2.58 51.32 27.16 6.56 13.06 46.25 4.57 0.03 1.59 0.80 115 A C C 76.23 2.95 10.51 14.92 99.21 62.76 -78.71 -14.27 66.71 1.14 32.15 46.07 1.98 17.46 30.69 2.69 0.00 0.57 0.54 116 D C C 103.86 3.38 12.41 17.19 102.11 71.40 -82.32 12.47 99.88 0.03 0.09 99.63 0.11 0.18 0.06 0.00 0.00 0.01 0.00