# 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 115.43 5.67 11.67 18.72 112.64 -151.40 -88.50 125.39 99.91 0.08 0.01 99.83 0.10 0.02 0.00 0.00 0.00 0.04 0.01 1 V C C 99.18 4.31 9.87 16.12 115.51 -148.52 -93.85 135.19 94.62 4.53 0.86 92.25 1.82 0.91 0.50 0.22 0.00 1.93 2.37 2 E C C 128.14 3.40 10.71 16.08 116.82 -129.17 -90.63 137.17 97.58 1.71 0.71 83.86 13.16 0.70 0.46 0.22 0.00 0.89 0.69 3 P C C 72.98 7.01 9.68 18.40 113.87 -106.33 -66.25 149.62 89.40 1.56 9.05 81.68 3.75 4.86 4.39 3.75 0.00 0.95 0.62 4 A C C 70.12 4.99 11.26 17.80 105.15 -109.57 -71.90 132.29 77.47 3.44 19.09 52.76 14.30 10.34 9.66 9.52 0.00 1.91 1.50 5 R C C 145.95 4.76 10.96 17.19 110.77 -110.50 -91.59 114.85 69.41 8.08 22.51 46.58 13.80 8.80 12.47 10.52 0.03 5.07 2.73 6 K C C 123.27 5.63 10.70 17.87 110.86 -136.43 -89.40 121.22 67.72 9.08 23.19 50.16 10.01 6.95 14.36 9.59 0.02 6.55 2.36 7 K C C 132.18 4.58 11.59 17.71 110.13 -146.51 -90.38 115.84 68.92 9.82 21.26 48.99 11.42 7.85 14.38 7.73 0.03 7.14 2.47 8 Q C C 105.04 5.88 11.72 19.06 114.12 -149.45 -94.64 130.76 71.09 10.59 18.32 50.50 12.35 7.58 12.80 6.36 0.03 8.02 2.36 9 R C C 136.25 5.87 12.58 19.88 112.82 -139.64 -88.02 124.77 71.84 13.34 14.83 53.46 10.66 6.74 11.04 4.74 0.03 9.77 3.57 10 I C C 76.34 9.58 10.76 21.38 113.43 -147.19 -95.89 127.78 76.51 10.83 12.67 56.54 12.65 6.49 9.75 3.87 0.02 7.56 3.13 11 D C C 85.24 5.17 13.43 19.78 110.06 -131.22 -86.16 120.16 82.87 6.52 10.61 64.09 10.08 8.04 7.53 3.65 0.00 4.56 2.05 12 R C C 137.83 6.08 11.89 19.21 98.82 -132.47 -73.10 -18.75 82.87 3.04 14.09 40.16 20.75 22.56 7.79 5.86 0.01 1.67 1.20 13 D C C 90.84 4.59 12.70 18.55 101.75 64.18 -81.10 -0.13 85.53 2.23 12.23 42.03 22.29 21.80 5.60 6.10 0.00 1.16 1.01 14 T C C 76.27 6.32 11.65 19.26 100.22 82.02 -79.74 -14.21 83.12 2.66 14.21 52.58 15.93 14.66 6.15 7.99 0.00 1.51 1.17 15 H C C 113.53 6.12 12.38 19.71 100.38 64.05 -81.48 -5.97 82.46 3.73 13.81 51.29 15.79 15.54 6.13 7.56 0.00 2.23 1.46 16 H C C 111.96 6.11 12.48 19.89 103.72 70.18 -84.98 9.54 81.27 5.55 13.18 54.18 15.82 11.37 6.16 7.01 0.00 3.73 1.72 17 T C C 81.67 5.93 12.95 20.19 106.03 74.14 -88.01 45.89 79.29 9.73 10.98 58.57 12.08 8.35 5.65 5.53 0.01 6.95 2.86 18 V C C 79.99 8.43 11.65 21.11 108.91 73.68 -91.41 95.07 80.09 10.87 9.04 58.67 14.04 7.04 4.98 4.34 0.01 7.61 3.31 19 A C C 66.83 5.85 13.06 20.27 110.73 -132.21 -84.06 131.85 85.24 8.45 6.31 58.53 20.88 6.03 3.27 3.09 0.00 5.40 2.79 20 E C C 114.91 6.00 13.20 20.84 116.03 -115.04 -93.08 134.06 93.58 3.90 2.52 67.74 24.30 1.90 1.41 1.13 0.00 2.36 1.16 21 P C C 69.61 9.54 11.64 22.23 112.88 -109.13 -67.00 146.21 90.18 3.14 6.68 79.11 6.61 4.82 2.89 3.44 0.00 2.19 0.94 22 V C C 98.46 5.66 14.03 20.98 108.74 -138.87 -87.94 117.60 83.32 6.82 9.87 62.98 12.90 6.95 4.94 5.12 0.00 4.12 2.99 23 T C C 66.25 9.90 12.62 23.43 116.73 -136.91 -99.03 131.65 82.49 7.52 10.00 59.79 16.26 6.13 5.03 5.06 0.00 4.62 3.10 24 E C C 115.60 5.55 17.19 23.92 115.38 -124.77 -85.92 136.98 85.37 4.83 9.79 68.28 10.77 6.30 3.91 5.83 0.00 3.29 1.62 25 A C C 48.02 13.58 14.04 27.52 110.99 -108.29 -69.29 141.58 83.66 4.09 12.25 55.54 11.92 15.87 2.22 10.53 0.00 2.86 1.06 26 K C C 96.08 10.01 19.59 29.54 109.49 -164.35 -96.70 100.76 82.64 7.74 9.63 40.80 21.30 21.05 1.19 8.65 0.00 5.92 1.09 27 N C C 43.88 16.28 18.80 34.28 100.43 -84.35 -94.82 22.08 63.48 31.27 5.25 37.47 18.05 8.43 0.48 4.88 0.00 29.69 1.00 28 T E E 26.60 15.50 22.40 38.30 126.32 105.84 -115.69 141.06 13.43 86.52 0.06 11.67 1.41 0.09 0.01 0.04 0.00 86.43 0.35 29 L E E 6.19 24.01 21.34 45.34 122.55 -164.03 -117.83 132.31 0.64 99.36 0.00 0.59 0.03 0.00 0.00 0.00 0.00 99.36 0.02 30 Y E E 55.86 13.96 26.82 40.81 117.18 -154.14 -104.22 127.18 0.26 99.74 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.01 31 V E E 4.06 25.20 19.29 45.11 118.27 -165.62 -114.81 125.14 1.93 98.06 0.02 1.95 0.04 0.01 0.01 0.00 0.00 97.90 0.09 32 S E E 35.38 10.66 24.04 34.90 133.69 173.54 -131.23 158.78 20.76 79.08 0.16 12.01 6.58 2.51 0.01 0.16 0.00 78.39 0.32 33 Q C S 95.86 6.30 24.63 32.07 93.30 15.48 61.22 41.06 81.01 18.78 0.21 30.18 42.20 7.81 0.02 0.24 0.00 19.07 0.48 34 L C C 10.43 24.68 12.23 36.77 116.58 171.92 -77.30 141.38 84.14 15.46 0.40 79.32 4.19 0.47 0.13 0.29 0.00 11.69 3.89 35 N C C 54.50 9.54 19.86 30.09 113.07 -108.39 -72.75 143.38 95.82 3.82 0.36 94.11 1.39 0.72 0.09 0.20 0.00 2.38 1.10 36 E C T 130.70 6.34 15.51 23.63 93.03 -126.90 -67.01 -18.82 98.58 0.67 0.75 1.89 12.30 84.52 0.10 0.59 0.00 0.43 0.18 37 K C T 152.37 1.65 18.92 19.92 93.21 61.74 -84.10 -6.29 97.87 1.37 0.76 4.16 10.32 83.51 0.10 0.63 0.00 1.07 0.21 38 I C C 20.00 21.36 8.71 28.96 115.11 105.76 -79.50 133.35 94.47 5.05 0.48 64.66 29.56 0.39 0.33 0.15 0.00 1.60 3.31 39 N C C 86.88 3.23 22.59 24.89 111.19 -128.89 -82.63 129.55 96.64 2.80 0.56 96.85 0.35 0.13 0.39 0.05 0.00 0.71 1.52 40 M H H 64.19 17.41 12.56 29.23 92.54 -137.68 -60.14 -38.83 2.01 0.01 97.98 0.52 0.25 1.03 97.57 0.63 0.00 0.00 0.00 41 Q H H 122.31 2.22 19.92 22.10 91.68 54.46 -63.63 -39.71 1.15 0.01 98.84 0.21 0.10 0.72 98.09 0.87 0.00 0.00 0.00 42 R H H 111.08 5.42 20.20 26.11 91.88 48.75 -66.17 -39.90 0.68 0.01 99.31 0.15 0.07 0.38 98.39 1.00 0.00 0.01 0.00 43 L H H 5.07 23.97 14.61 38.90 91.47 50.59 -63.81 -43.03 0.58 0.01 99.41 0.17 0.07 0.27 99.22 0.26 0.00 0.00 0.00 44 R H H 78.17 15.64 20.08 34.65 91.32 51.97 -61.86 -42.35 0.72 0.01 99.27 0.17 0.05 0.40 99.23 0.15 0.00 0.00 0.00 45 V H H 75.46 3.99 24.10 27.70 91.99 49.09 -64.71 -42.06 1.13 0.00 98.86 0.13 0.08 0.80 98.83 0.15 0.00 0.00 0.00 46 N H H 41.51 12.37 22.43 34.84 92.72 47.68 -66.21 -41.51 2.25 0.01 97.74 0.22 0.13 1.69 97.78 0.17 0.00 0.00 0.00 47 L H H 2.21 26.57 19.53 46.35 91.75 49.19 -64.15 -43.45 1.29 0.01 98.70 0.12 0.08 1.02 98.37 0.39 0.00 0.00 0.00 48 F H H 50.01 17.06 21.70 37.74 91.50 51.33 -63.33 -42.12 0.57 0.00 99.43 0.04 0.03 0.48 98.69 0.76 0.00 0.00 0.00 49 L H H 78.98 4.94 25.07 29.98 91.86 50.58 -64.84 -41.65 0.67 0.00 99.33 0.03 0.03 0.60 97.97 1.37 0.00 0.00 0.00 50 L H H 22.46 16.93 21.36 38.12 92.00 49.07 -65.50 -41.51 1.55 0.00 98.44 0.04 0.05 1.53 96.94 1.44 0.00 0.00 0.00 51 F H H 4.44 25.92 17.56 43.71 93.08 45.91 -71.08 -31.47 5.90 0.01 94.08 0.26 0.37 5.36 91.54 2.45 0.01 0.00 0.01 52 A H H 47.38 12.92 18.74 31.66 90.55 66.16 -65.89 -22.78 25.29 0.16 74.55 1.36 1.18 21.01 54.96 21.23 0.09 0.09 0.09 53 T H T 82.69 5.50 22.45 28.39 92.11 59.70 -75.90 -20.92 45.79 0.19 54.02 1.26 1.86 42.23 37.38 16.96 0.06 0.10 0.14 54 F C T 43.88 17.27 17.17 34.12 102.32 36.34 -102.42 -17.84 54.63 0.52 44.85 2.39 5.94 44.62 29.83 16.35 0.19 0.27 0.42 55 G C S 14.06 10.69 22.75 34.30 144.56 -45.56 158.36 -178.53 90.98 8.36 0.66 14.83 65.97 9.78 0.12 0.45 0.00 8.22 0.62 56 E C C 94.55 7.59 24.67 32.69 115.69 -49.33 -78.86 137.39 64.47 35.28 0.25 60.06 2.83 0.43 0.05 0.17 0.00 35.76 0.71 57 V E E 11.25 23.89 14.63 38.91 111.17 -130.98 -86.17 121.96 3.73 96.25 0.02 3.78 0.12 0.01 0.01 0.01 0.00 95.63 0.44 58 L E E 58.87 9.47 23.74 33.92 100.37 177.55 -92.46 -34.42 4.10 95.89 0.02 2.58 1.23 0.08 0.00 0.01 0.00 96.08 0.02 59 K E E 79.47 8.29 26.07 35.25 140.51 -0.30 -154.79 149.11 0.98 99.01 0.01 0.75 0.13 0.01 0.00 0.00 0.00 99.10 0.01 60 V E E 9.25 24.99 16.40 41.45 125.07 -165.56 -128.56 130.44 0.55 99.44 0.01 0.51 0.02 0.00 0.00 0.00 0.00 99.44 0.02 61 S E E 26.19 10.90 26.02 37.58 124.49 -171.59 -123.03 140.22 2.66 97.25 0.09 2.32 0.16 0.04 0.03 0.03 0.00 97.34 0.09 62 M E E 27.40 20.69 16.99 37.09 120.98 -159.88 -113.03 130.99 33.41 64.13 2.45 29.53 2.91 0.80 0.89 1.21 0.00 64.05 0.62 63 N C C 64.38 8.69 19.54 29.00 112.48 -161.99 -101.17 117.88 64.59 29.17 6.24 46.22 13.49 5.00 2.28 3.63 0.00 28.13 1.25 64 F C C 79.03 11.94 12.88 25.43 112.41 63.58 -102.08 118.63 68.10 19.59 12.31 39.89 20.18 9.62 5.47 6.65 0.07 14.56 3.57 65 K C T 137.48 3.74 14.37 19.16 98.63 -122.55 -72.03 -29.92 61.31 4.67 34.02 18.97 19.43 25.41 9.28 22.19 0.12 2.81 1.80 66 K C T 139.84 2.88 14.15 17.87 99.68 39.62 -78.77 -18.96 62.08 2.15 35.77 13.50 15.90 33.84 9.40 24.90 0.07 1.19 1.19 67 Q C T 91.06 8.48 12.49 21.88 105.73 28.38 -88.28 53.80 61.98 5.56 32.46 18.57 16.56 29.23 7.81 22.46 0.11 3.25 2.01 68 R C T 135.65 6.63 17.24 24.65 103.81 -131.00 -68.82 49.66 79.72 11.01 9.27 22.62 16.39 41.88 3.29 5.53 0.03 8.10 2.16 69 G C T 16.54 14.18 17.33 31.64 102.32 -18.88 85.85 9.64 77.28 19.31 3.40 23.43 20.02 34.38 0.62 2.61 0.01 17.71 1.23 70 Q E E 42.03 13.71 21.77 35.94 125.51 128.69 -113.03 145.20 39.03 60.15 0.82 31.31 6.01 1.56 0.20 0.67 0.00 58.91 1.35 71 A E E 4.22 22.99 19.78 42.92 133.57 -170.59 -134.30 151.44 12.57 87.38 0.05 10.17 2.00 0.21 0.01 0.03 0.00 87.25 0.32 72 F E E 30.34 17.00 26.80 43.52 123.10 -147.48 -117.15 134.61 1.09 98.91 0.00 0.92 0.06 0.00 0.00 0.00 0.00 99.00 0.03 73 I E E 2.63 25.80 23.45 49.43 121.15 -165.88 -116.01 129.61 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 74 T E E 17.54 15.95 27.55 43.74 118.55 -160.26 -110.13 127.45 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 75 M E E 6.91 22.97 17.53 40.86 128.74 -170.19 -116.67 155.26 5.50 94.50 0.00 5.51 0.07 0.00 0.00 0.00 0.00 94.22 0.20 76 R C S 118.42 7.60 22.65 31.07 93.85 -128.57 -72.76 -29.08 98.80 1.19 0.01 3.59 95.10 0.32 0.00 0.00 0.00 0.96 0.03 77 T C S 55.89 5.48 24.73 30.46 136.80 19.17 -140.80 157.63 98.56 1.25 0.19 12.15 86.55 0.33 0.13 0.03 0.00 0.40 0.41 78 I H H 49.10 18.27 15.06 32.90 92.03 -115.52 -59.84 -37.87 1.37 0.00 98.63 0.09 0.15 1.04 98.25 0.47 0.00 0.00 0.00 79 D H H 99.41 2.43 24.48 26.63 91.36 54.34 -63.35 -39.86 1.00 0.00 98.99 0.08 0.07 0.80 98.36 0.69 0.00 0.00 0.00 80 Q H H 46.17 11.72 21.58 33.77 91.99 49.38 -66.35 -39.80 0.27 0.00 99.73 0.03 0.02 0.18 99.16 0.60 0.00 0.00 0.00 81 A H H 1.61 26.36 16.23 43.23 91.21 52.33 -63.33 -43.08 0.14 0.00 99.86 0.01 0.01 0.09 99.80 0.08 0.00 0.00 0.00 82 S H H 39.89 10.68 24.61 35.38 91.46 51.09 -63.60 -42.28 0.22 0.00 99.78 0.01 0.01 0.17 99.76 0.05 0.00 0.00 0.00 83 L H H 81.81 3.91 27.59 31.45 91.56 49.97 -63.81 -42.21 0.22 0.00 99.78 0.01 0.01 0.17 99.78 0.03 0.00 0.00 0.00 84 A H H 3.09 23.13 19.68 43.05 91.28 50.20 -63.51 -43.22 0.14 0.00 99.86 0.01 0.01 0.09 99.82 0.06 0.00 0.00 0.00 85 Q H H 23.86 22.08 20.77 41.49 91.30 50.94 -62.86 -42.28 0.13 0.00 99.87 0.01 0.00 0.10 99.76 0.13 0.00 0.00 0.00 86 I H H 106.67 3.70 25.11 29.14 91.90 49.48 -64.79 -39.19 0.31 0.00 99.69 0.01 0.01 0.28 99.18 0.52 0.00 0.00 0.00 87 S H H 50.19 9.15 22.56 31.89 91.61 51.59 -70.51 -28.02 3.17 0.00 96.83 0.03 0.05 3.59 95.76 0.57 0.00 0.00 0.00 88 L H H 5.19 24.47 14.88 39.94 95.19 47.47 -91.06 -10.41 31.32 0.02 68.67 0.49 0.68 30.38 66.95 1.46 0.01 0.00 0.02 89 N C T 70.67 13.63 16.65 30.47 111.19 115.32 -62.07 131.50 97.10 0.17 2.73 0.72 1.01 96.10 1.65 0.36 0.00 0.06 0.10 90 G C T 51.08 3.24 20.94 24.69 94.76 19.21 85.53 -3.22 99.35 0.09 0.56 0.59 1.67 97.35 0.13 0.20 0.00 0.06 0.01 91 E C C 58.24 13.90 14.14 28.65 119.19 129.32 -76.82 146.52 94.38 5.52 0.10 86.49 7.54 0.23 0.03 0.06 0.00 5.32 0.32 92 R E E 140.78 4.63 20.67 26.24 115.53 -124.41 -89.76 131.62 4.82 95.12 0.05 4.41 0.27 0.05 0.04 0.02 0.00 86.18 9.04 93 F E E 16.18 22.99 11.35 33.76 120.56 -175.42 -128.68 121.53 6.01 93.87 0.12 3.53 1.72 0.62 0.04 0.09 0.00 90.52 3.47 94 F C T 95.96 10.75 15.32 27.20 93.31 -15.67 55.56 41.50 99.16 0.54 0.30 0.66 5.02 93.58 0.01 0.27 0.00 0.39 0.07 95 G C T 62.61 1.32 17.13 18.01 94.64 -50.07 78.26 2.71 99.61 0.15 0.24 0.66 6.90 92.05 0.01 0.25 0.00 0.11 0.02 96 K E E 90.24 8.24 14.65 24.48 125.97 102.88 -114.53 142.46 7.35 92.61 0.04 3.89 3.83 0.23 0.01 0.02 0.00 89.49 2.51 97 P E E 67.50 7.46 20.10 28.15 113.92 -106.68 -67.31 143.57 8.71 91.27 0.02 8.49 0.27 0.02 0.01 0.01 0.00 87.83 3.38 98 L C C 7.69 24.81 12.87 38.14 118.46 -132.44 -91.99 138.94 85.06 14.86 0.07 82.84 1.73 0.25 0.01 0.06 0.00 14.81 0.29 99 K E E 81.88 8.39 27.30 36.37 120.70 -154.17 -110.81 135.36 43.92 55.99 0.09 40.59 2.44 0.25 0.02 0.07 0.00 55.64 0.99 100 V E E 5.25 26.18 16.07 42.94 122.46 -160.24 -117.39 133.01 9.19 90.80 0.01 9.10 0.33 0.02 0.00 0.01 0.00 90.16 0.38 101 E E E 71.99 8.33 26.82 35.93 133.38 174.94 -136.62 151.87 2.28 97.71 0.00 2.32 0.06 0.01 0.00 0.00 0.00 97.46 0.15 102 F E E 54.17 19.30 19.02 37.36 116.69 -110.65 -80.27 139.72 7.47 92.49 0.03 7.20 0.30 0.03 0.01 0.01 0.00 91.93 0.51 103 S C C 19.06 17.92 15.50 33.27 119.01 -128.75 -88.95 147.88 62.47 36.72 0.81 56.82 3.55 0.79 0.22 0.53 0.00 36.90 1.20 104 K C C 137.11 4.53 19.04 24.69 103.00 -139.39 -87.31 29.35 82.20 12.20 5.60 53.38 21.60 7.64 1.49 4.01 0.00 10.26 1.62 105 S C C 51.19 9.60 13.66 24.03 119.50 61.16 -94.22 149.25 82.62 5.13 12.26 48.74 22.08 12.35 3.29 8.75 0.01 3.08 1.70 106 E C C 128.01 5.19 14.60 21.19 102.17 -136.12 -88.49 15.62 81.09 3.41 15.50 51.21 18.22 11.78 4.18 11.40 0.00 2.01 1.19 107 T C C 68.67 8.89 11.52 21.47 113.59 105.94 -94.87 133.55 80.72 3.24 16.04 49.39 17.65 13.84 4.27 11.80 0.00 1.93 1.12 108 K C C 134.27 5.14 12.98 19.55 104.25 -150.96 -89.48 31.57 80.67 5.84 13.48 47.79 19.19 14.43 3.59 9.50 0.01 3.87 1.61 109 T C C 78.69 6.63 11.71 19.89 114.11 115.44 -93.41 127.62 82.19 10.78 7.03 71.30 4.60 6.22 3.14 3.30 0.00 7.04 4.40 110 L C C 84.71 10.69 12.83 23.88 106.84 -139.44 -85.23 93.50 99.52 0.45 0.03 99.51 0.11 0.05 0.02 0.00 0.00 0.28 0.03