# 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 86.53 10.70 13.78 24.91 114.20 -155.74 -91.22 133.30 99.78 0.16 0.07 99.69 0.11 0.07 0.03 0.00 0.00 0.07 0.02 1 S C C 58.53 7.19 13.29 21.58 113.87 -138.21 -84.57 147.31 82.21 5.31 12.47 75.17 1.62 5.37 10.54 2.04 0.00 3.17 2.10 2 N C C 88.82 7.67 12.34 20.96 103.00 -132.87 -79.62 0.79 69.25 6.37 24.38 47.66 11.74 9.01 20.96 4.63 0.02 4.07 1.91 3 R H H 131.57 5.22 14.45 20.68 96.35 87.46 -70.34 -28.29 41.55 7.07 51.38 24.45 9.56 9.19 40.53 9.29 0.08 5.61 1.29 4 F H H 81.69 9.65 14.69 25.18 95.03 62.00 -70.48 -34.47 30.99 10.83 58.17 16.69 6.79 9.29 44.48 11.92 0.19 9.20 1.44 5 F H H 62.01 14.48 14.87 29.05 96.16 55.78 -73.14 -31.40 27.72 12.73 59.55 15.95 5.40 7.89 45.38 12.72 0.15 11.12 1.40 6 Q H H 80.85 9.88 16.70 26.94 95.28 64.98 -71.41 -29.92 26.16 13.10 60.74 15.38 5.21 7.26 48.10 11.08 0.10 11.76 1.11 7 K H H 101.66 7.88 18.46 26.64 96.71 59.06 -75.43 -27.04 24.96 14.00 61.04 11.68 4.94 9.63 48.17 11.51 0.18 12.89 1.00 8 F H H 65.50 14.28 17.26 31.14 102.04 56.22 -84.48 -22.50 25.98 16.22 57.80 11.77 5.00 10.32 45.71 10.70 0.22 15.14 1.14 9 Y H H 67.42 15.93 17.36 32.60 109.03 63.01 -92.67 86.08 28.74 22.90 48.35 15.76 5.66 8.74 39.74 7.45 0.24 20.53 1.89 10 L H H 61.79 13.17 17.68 30.81 110.55 65.99 -92.62 115.58 33.47 27.56 38.98 20.31 6.10 7.78 33.46 5.65 0.18 24.22 2.30 11 R C H 120.27 9.34 18.97 28.45 110.52 -153.37 -93.00 101.77 39.95 26.72 33.33 22.25 6.94 11.04 28.56 5.49 0.21 22.88 2.64 12 C C C 47.26 14.44 15.21 29.27 110.33 63.52 -90.65 114.38 57.89 17.11 25.00 27.30 10.87 19.62 19.80 5.76 0.19 13.82 2.64 13 G C C 35.61 9.22 16.97 26.54 114.98 8.71 92.07 -153.65 75.30 12.94 11.75 29.41 20.96 26.04 6.92 4.42 0.07 10.13 2.04 14 N C C 104.27 4.78 17.85 23.45 106.05 -26.70 -90.07 76.76 80.44 10.16 9.40 45.27 19.44 16.14 5.15 4.08 0.02 7.36 2.53 15 C C C 40.43 15.53 10.25 25.40 113.65 171.56 -91.80 125.33 75.31 7.91 16.78 57.47 9.73 7.21 13.07 4.59 0.01 5.29 2.63 16 S C C 71.99 4.27 16.40 21.55 104.26 -166.11 -93.47 -2.15 63.16 6.18 30.66 36.90 14.54 11.75 24.88 6.19 0.05 4.18 1.52 17 A H H 60.43 6.18 13.76 21.14 106.16 64.01 -85.03 28.53 43.14 9.91 46.95 20.31 13.01 12.43 36.98 7.83 0.25 7.43 1.76 18 I H H 93.44 7.53 13.04 21.66 99.06 53.65 -76.03 -26.40 34.13 10.88 55.00 18.07 8.59 9.79 44.21 8.74 0.19 8.98 1.43 19 Q H H 97.04 7.50 13.69 22.21 100.80 62.21 -78.63 -17.70 33.03 13.43 53.54 18.33 7.32 9.59 42.71 8.76 0.20 11.38 1.71 20 R H H 129.14 6.87 14.86 22.66 102.20 62.52 -82.23 -8.21 35.45 14.88 49.67 17.96 8.02 11.50 38.99 8.54 0.29 12.71 1.99 21 S C H 57.11 8.29 15.90 24.98 107.29 61.88 -92.65 38.06 40.85 20.28 38.87 20.55 8.81 12.73 30.66 7.21 0.31 17.39 2.34 22 A C C 37.24 14.95 12.90 27.72 114.14 100.93 -89.41 130.93 47.55 27.74 24.71 28.43 8.86 10.42 19.00 6.18 0.14 24.29 2.67 23 Q C E 109.66 6.09 18.47 25.58 113.61 -158.04 -99.48 126.98 51.79 34.90 13.31 22.88 11.05 19.72 9.24 4.46 0.17 29.50 2.96 24 G C E 27.50 11.61 17.11 28.93 121.42 -26.40 124.25 174.17 63.66 31.58 4.76 27.31 15.19 23.10 1.72 2.57 0.02 28.43 1.65 25 Y C C 79.41 16.29 14.49 30.05 120.97 -101.35 -107.03 139.13 56.49 41.75 1.76 43.45 9.85 2.60 0.86 1.12 0.01 36.64 5.47 26 Q C C 99.51 6.13 19.04 26.32 122.10 -157.49 -111.68 137.86 62.20 37.50 0.30 50.59 10.02 0.84 0.10 0.23 0.00 36.08 2.13 27 P C C 79.55 9.73 14.77 25.35 114.05 -106.74 -66.43 143.15 60.70 38.47 0.83 49.93 7.38 1.76 0.32 0.62 0.00 34.59 5.40 28 I C C 59.53 13.62 10.47 24.34 116.82 -129.28 -90.94 140.88 85.70 13.07 1.23 71.54 10.75 2.87 0.40 0.93 0.00 9.90 3.61 29 A C S 87.22 2.18 15.97 18.48 103.59 -111.75 -71.84 45.57 93.33 5.13 1.54 38.14 48.26 7.41 0.42 1.03 0.00 3.47 1.27 30 N C S 91.58 6.86 13.98 22.02 110.64 25.79 -106.67 102.26 92.81 4.95 2.24 40.56 46.70 6.03 0.76 1.30 0.00 3.13 1.52 31 P C C 61.02 11.86 13.62 26.15 111.55 -152.29 -71.67 141.13 79.26 7.36 13.38 47.14 15.08 17.53 3.62 9.58 0.01 4.99 2.05 32 I C C 71.50 11.57 15.09 27.22 113.30 -138.83 -93.79 126.43 61.86 24.04 14.10 34.60 14.26 14.99 4.31 9.60 0.10 16.72 5.42 33 L C C 76.14 10.15 17.09 27.73 108.57 -154.79 -94.42 80.19 60.97 23.94 15.10 39.12 13.01 10.07 4.46 10.44 0.05 18.31 4.55 34 F C C 52.54 16.50 12.23 28.40 117.10 108.95 -102.05 129.48 72.59 19.88 7.54 52.08 13.86 6.43 3.73 3.94 0.04 14.05 5.87 35 K C C 127.68 5.22 17.15 23.27 108.75 -156.67 -90.87 100.99 92.18 4.19 3.63 61.83 25.69 4.85 2.24 1.39 0.00 2.70 1.30 36 S C C 51.47 6.35 15.51 22.88 115.12 -99.10 -84.89 153.27 78.83 1.55 19.62 40.45 32.47 5.10 19.17 1.51 0.00 0.56 0.75 37 D H H 92.17 6.23 13.91 21.49 95.03 -117.26 -63.45 -36.02 8.77 0.12 91.12 2.88 2.41 3.97 89.00 1.62 0.02 0.06 0.04 38 E H H 120.00 2.00 17.91 19.30 93.04 53.54 -66.53 -40.46 3.84 0.10 96.05 1.16 0.61 2.25 94.13 1.74 0.02 0.07 0.02 39 H H H 58.41 9.87 15.94 27.07 92.90 49.87 -66.45 -40.56 2.64 0.14 97.22 1.06 0.39 1.38 95.18 1.83 0.01 0.12 0.02 40 C H H 19.69 14.93 14.34 30.16 92.51 51.59 -64.17 -42.02 2.18 0.12 97.70 0.93 0.32 1.08 96.45 1.11 0.00 0.10 0.02 41 R H H 121.73 3.55 21.34 24.77 92.03 50.66 -64.23 -41.35 1.96 0.09 97.94 0.64 0.23 1.15 97.14 0.74 0.00 0.07 0.01 42 N H H 75.60 4.34 21.54 25.85 92.23 49.76 -65.65 -41.32 3.30 0.13 96.58 0.81 0.34 2.22 95.72 0.78 0.01 0.10 0.02 43 Y H H 35.53 16.39 17.41 33.92 92.62 50.50 -64.93 -42.18 3.49 0.15 96.36 1.13 0.46 2.01 95.58 0.68 0.01 0.11 0.02 44 H H H 64.30 10.73 19.25 30.63 92.03 51.73 -63.83 -41.36 2.66 0.11 97.23 1.20 0.37 1.23 96.69 0.42 0.01 0.07 0.02 45 D H H 80.90 2.53 22.39 23.78 91.97 50.01 -65.03 -40.64 2.10 0.10 97.81 0.83 0.26 1.04 97.37 0.40 0.01 0.07 0.01 46 E H H 58.69 9.70 18.69 29.41 92.41 50.52 -65.39 -40.62 1.83 0.10 98.07 0.59 0.21 1.03 97.58 0.50 0.01 0.07 0.01 47 Q H H 49.00 15.53 16.00 31.26 92.31 51.95 -64.68 -40.46 2.04 0.12 97.85 0.61 0.24 1.16 97.26 0.62 0.01 0.09 0.01 48 R H H 135.71 3.81 19.55 23.92 92.01 50.92 -65.37 -39.77 4.03 0.17 95.81 1.03 0.44 2.51 94.90 0.96 0.01 0.12 0.03 49 R H H 141.42 2.72 19.72 22.31 92.50 49.57 -68.12 -36.12 8.02 0.21 91.77 1.46 0.83 5.72 90.53 1.25 0.03 0.13 0.06 50 A H H 27.64 14.08 13.63 28.14 95.46 51.61 -73.75 -24.66 20.34 0.38 79.29 3.83 2.59 14.24 76.85 2.07 0.07 0.18 0.17 51 A H H 59.83 8.60 15.29 24.70 98.28 73.82 -71.30 -14.49 47.81 0.64 51.55 4.52 4.16 38.18 47.37 4.95 0.13 0.32 0.37 52 G C T 54.63 2.77 17.26 20.34 99.61 43.16 -31.39 -10.48 64.11 0.65 35.24 6.58 6.32 49.60 30.29 6.46 0.05 0.34 0.36 53 Y C C 115.50 8.98 12.65 22.50 104.20 76.96 -93.89 27.46 68.53 3.91 27.56 29.75 15.18 24.21 17.01 10.02 0.07 1.98 1.77 54 S C T 72.35 6.08 14.49 21.94 110.92 127.47 -77.94 121.41 77.07 6.40 16.53 15.52 13.74 47.90 8.79 7.50 0.11 3.98 2.46 55 G C T 42.03 7.42 17.45 25.42 101.96 17.93 85.72 -1.70 83.50 8.18 8.32 17.95 17.47 48.82 2.37 5.30 0.01 7.09 0.99 56 M C C 64.11 12.88 16.11 29.42 119.53 127.21 -99.60 137.54 59.98 35.52 4.50 42.76 13.03 4.30 2.08 2.44 0.02 33.30 2.07 57 V E E 58.43 11.71 20.59 32.67 116.11 -142.36 -100.81 128.10 31.80 65.98 2.22 26.39 3.88 1.31 1.41 0.94 0.01 64.23 1.84 58 V E E 18.21 21.18 17.66 38.71 120.30 -158.71 -107.73 132.05 21.42 77.48 1.10 18.76 1.80 0.47 0.71 0.38 0.00 77.14 0.72 59 T E E 37.83 12.53 24.21 37.09 126.68 -165.34 -120.82 144.43 10.49 88.33 1.19 9.00 1.09 0.45 0.77 0.44 0.00 87.48 0.77 60 C E E 12.75 21.54 18.25 39.77 129.31 -170.02 -126.99 145.33 12.92 86.09 0.99 10.73 1.77 0.60 0.49 0.45 0.01 85.25 0.70 61 R E E 87.06 10.02 23.81 34.20 125.03 -157.97 -120.08 137.32 19.45 79.53 1.02 16.21 2.72 0.70 0.71 0.50 0.02 75.76 3.39 62 C C C 12.00 19.68 13.45 33.61 112.54 -124.76 -81.22 130.14 59.44 39.68 0.87 53.23 4.09 1.17 0.37 0.52 0.00 37.60 3.01 63 H C T 112.69 6.11 18.55 25.49 95.09 -136.98 -66.86 -26.27 92.32 2.27 5.41 4.51 12.72 74.96 0.73 4.73 0.00 1.87 0.49 64 R C T 146.85 4.11 17.24 22.10 97.98 44.53 -79.29 -24.60 94.20 0.55 5.25 2.54 9.82 81.91 0.70 4.46 0.00 0.36 0.21 65 C C T 41.69 11.95 12.26 24.83 107.00 32.81 -106.82 7.02 92.33 2.41 5.26 14.69 17.07 60.43 0.95 4.52 0.00 1.66 0.67 66 E C C 128.65 5.62 16.66 23.59 96.11 -142.59 49.93 15.94 90.50 6.51 2.99 44.13 20.99 25.71 1.32 1.66 0.00 5.26 0.93 67 R C C 115.25 6.21 18.45 25.80 124.38 112.36 -104.30 147.98 58.77 37.37 3.86 31.87 22.10 6.73 2.36 1.84 0.03 30.28 4.79 68 V E E 46.35 15.51 15.32 30.88 113.19 -114.66 -82.78 131.60 29.82 66.61 3.57 21.69 5.56 2.10 2.63 1.58 0.03 53.64 12.77 69 H E E 49.66 14.76 14.65 29.70 112.10 -141.67 -88.71 129.49 37.63 54.94 7.43 28.96 5.60 4.43 2.45 5.36 0.01 50.83 2.36 70 S C E 69.66 6.94 16.63 24.48 97.67 -151.03 -77.10 -19.17 53.92 39.24 6.84 11.27 17.74 27.59 0.91 5.84 0.01 35.66 0.99 71 N C E 113.06 2.64 18.61 21.47 98.98 54.09 -94.33 13.09 60.06 33.88 6.06 20.41 13.79 25.64 0.68 5.44 0.00 33.44 0.59 72 W C C 57.72 19.70 9.47 27.86 118.38 131.42 -82.37 140.60 53.11 46.29 0.60 48.03 3.55 0.61 0.15 0.44 0.00 46.16 1.06 73 K E E 119.61 4.44 21.85 27.19 125.02 -166.49 -122.12 143.76 23.84 75.73 0.43 20.24 2.97 0.57 0.17 0.25 0.00 74.64 1.15 74 V E E 64.30 15.16 16.24 31.03 116.43 -123.84 -91.30 130.62 16.69 82.91 0.41 14.57 1.97 0.34 0.23 0.19 0.00 80.97 1.73 75 L E E 26.45 16.57 15.06 32.23 123.25 -163.71 -111.69 141.40 34.33 65.41 0.26 33.42 1.43 0.13 0.18 0.09 0.00 62.82 1.93 76 D C C 66.55 4.78 22.44 27.02 121.73 -124.31 -82.28 162.83 69.08 30.64 0.28 68.90 1.02 0.10 0.22 0.06 0.00 28.26 1.46 77 A H H 35.97 16.35 13.74 30.00 91.41 -106.66 -59.18 -37.23 1.62 0.01 98.38 0.27 0.19 0.98 97.74 0.82 0.00 0.00 0.00 78 Q H H 113.29 2.62 19.94 22.38 91.72 53.69 -64.20 -40.19 0.65 0.00 99.35 0.07 0.05 0.46 98.65 0.76 0.00 0.00 0.00 79 Q H H 78.81 6.28 19.62 26.62 91.98 49.05 -66.18 -40.23 0.30 0.00 99.70 0.04 0.02 0.19 98.97 0.76 0.00 0.00 0.00 80 F H H 11.83 22.08 14.57 36.65 92.04 50.94 -64.12 -43.27 0.23 0.00 99.77 0.04 0.02 0.14 99.55 0.25 0.00 0.00 0.00 81 L H H 53.16 10.67 19.05 30.54 91.56 50.12 -63.69 -41.98 0.35 0.00 99.64 0.05 0.02 0.24 99.51 0.17 0.00 0.00 0.00 82 D H H 83.65 2.12 22.22 22.77 91.70 50.19 -64.34 -40.84 0.79 0.00 99.21 0.08 0.05 0.60 99.03 0.24 0.00 0.00 0.00 83 A H H 17.52 12.62 16.54 30.69 91.76 50.73 -64.81 -40.53 1.60 0.00 98.39 0.13 0.09 1.30 97.89 0.60 0.00 0.00 0.00 84 K H H 53.33 17.49 14.45 31.30 91.57 55.05 -64.20 -35.43 5.91 0.02 94.08 0.41 0.34 5.00 92.05 2.18 0.01 0.01 0.01 85 L H H 109.08 4.12 17.61 22.67 91.34 56.60 -69.99 -22.08 33.72 0.07 66.21 1.31 1.44 30.38 64.10 2.69 0.02 0.03 0.05 86 R C T 164.94 1.77 17.50 18.88 95.10 52.38 -89.04 -9.25 59.47 0.25 40.28 3.98 4.61 49.07 39.06 2.98 0.02 0.10 0.18 87 M C S 35.52 16.74 7.27 23.14 122.18 93.38 -87.38 147.15 98.80 0.72 0.48 22.58 75.79 0.37 0.48 0.05 0.00 0.14 0.60 88 T C C 69.67 2.16 18.15 19.46 119.39 -111.29 -71.29 158.82 99.76 0.16 0.08 99.16 0.62 0.04 0.05 0.01 0.00 0.04 0.08 89 P H H 82.52 7.74 12.11 21.39 91.30 -106.83 -56.77 -38.69 2.81 0.01 97.19 0.59 0.33 1.67 95.23 2.19 0.00 0.00 0.00 90 E H H 129.04 1.62 16.24 17.54 91.70 53.38 -64.28 -39.56 1.65 0.01 98.34 0.21 0.13 1.15 95.79 2.71 0.00 0.00 0.00 91 E H H 89.12 4.39 16.13 21.58 92.20 48.51 -66.19 -39.41 0.85 0.01 99.14 0.17 0.08 0.53 96.70 2.51 0.00 0.01 0.00 92 R H H 52.06 14.17 12.78 27.48 91.94 51.84 -63.99 -41.62 0.87 0.01 99.12 0.20 0.09 0.49 98.00 1.20 0.00 0.01 0.00 93 A H H 46.59 7.61 15.96 24.99 91.84 51.61 -63.83 -40.09 2.13 0.02 97.85 0.37 0.17 1.43 96.43 1.58 0.00 0.01 0.00 94 Q H H 110.31 2.57 18.50 21.02 92.14 51.55 -65.84 -38.71 5.44 0.03 94.54 0.47 0.33 4.38 92.58 2.21 0.01 0.01 0.01 95 R H H 94.26 9.30 16.98 26.92 93.64 47.41 -69.30 -36.35 14.58 0.06 85.36 0.88 0.93 12.53 83.35 2.22 0.03 0.03 0.03 96 L H H 45.35 14.53 15.44 29.89 96.73 46.57 -78.36 -27.54 36.59 0.68 62.73 4.65 5.21 27.42 59.07 2.80 0.15 0.31 0.38 97 W C H 110.42 8.99 15.03 24.84 101.18 53.37 -87.58 1.60 56.78 5.81 37.41 26.76 16.29 15.61 29.96 5.81 0.19 2.79 2.59 98 V C C 84.71 5.70 13.72 20.62 106.38 86.21 -81.16 99.71 64.31 5.41 30.28 33.26 11.15 20.26 22.21 7.92 0.05 3.41 1.74 99 S C C 68.85 5.66 11.10 18.22 108.54 59.31 -88.02 102.30 69.68 5.67 24.66 34.65 11.57 24.05 16.79 7.48 0.03 3.60 1.83 100 K C C 136.23 4.44 9.94 16.12 107.01 93.40 -87.16 67.23 87.54 2.29 10.17 74.54 3.00 10.88 6.72 2.50 0.00 1.34 1.00 101 S C C 82.17 3.10 11.86 16.59 111.73 -133.86 -90.57 122.84 99.93 0.05 0.02 99.78 0.11 0.07 0.01 0.00 0.00 0.02 0.01