# 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 V C C 93.21 5.79 10.99 18.65 116.68 -157.44 -101.21 126.48 98.89 1.01 0.10 98.69 0.36 0.12 0.05 0.01 0.00 0.60 0.17 1 H C C 141.73 2.42 9.74 13.86 117.91 -162.94 -103.35 137.46 81.07 6.76 12.16 70.44 3.38 6.56 10.40 2.15 0.00 4.05 3.03 2 G C C 50.17 2.44 10.63 14.27 115.76 20.19 91.55 -168.73 65.64 3.07 31.28 32.05 18.35 16.64 23.57 6.48 0.08 1.46 1.37 3 S H H 78.23 2.61 10.02 13.73 104.23 -43.57 -80.18 -8.77 42.98 2.59 54.43 22.08 10.49 12.54 39.04 13.27 0.14 1.37 1.08 4 L H H 103.93 4.22 9.30 15.00 97.07 57.30 -73.87 -21.30 28.91 2.69 68.40 11.82 6.53 11.78 46.45 20.63 0.23 1.71 0.85 5 A H H 66.08 4.09 10.18 15.93 95.91 68.64 -70.40 -29.13 28.61 2.53 68.86 11.71 5.72 11.87 47.13 20.93 0.19 1.70 0.75 6 R H H 167.78 1.75 11.65 13.90 98.15 56.66 -82.45 -8.53 37.59 3.07 59.34 12.76 8.05 17.66 40.81 17.22 0.44 1.76 1.30 7 A C T 69.08 3.91 9.24 14.84 103.34 81.08 -80.65 31.16 59.50 2.06 38.44 9.43 11.07 37.73 27.69 11.28 0.37 1.06 1.37 8 G C T 54.08 2.76 11.91 15.78 102.52 -82.49 78.12 3.92 73.39 1.93 24.68 16.15 13.50 43.42 15.54 9.21 0.08 1.03 1.07 9 K C C 137.80 2.82 10.88 15.14 104.26 106.95 -88.90 28.72 70.70 8.33 20.97 43.56 13.08 13.53 12.51 8.67 0.08 4.35 4.22 10 V C C 82.95 5.98 7.39 14.95 112.01 76.46 -96.40 115.34 71.28 13.57 15.14 47.80 13.03 9.08 10.14 5.29 0.08 6.19 8.41 11 R C T 183.36 1.39 9.83 12.36 109.91 -119.94 -78.23 123.89 82.06 6.70 11.24 17.12 11.45 53.14 6.08 5.06 0.05 3.95 3.14 12 G C T 65.54 0.74 10.56 11.06 99.44 6.07 76.55 2.22 91.19 1.45 7.37 11.23 16.51 63.63 2.46 4.65 0.00 0.93 0.60 13 Q C C 128.02 2.28 8.54 12.60 114.42 110.27 -95.28 135.67 90.82 3.98 5.19 52.00 28.48 10.09 1.99 3.05 0.00 1.58 2.79 14 T C C 100.29 2.54 8.56 13.03 116.47 -131.02 -95.49 132.50 95.27 3.23 1.50 75.47 18.55 0.97 1.16 0.43 0.00 1.42 2.01 15 P C C 85.46 4.68 8.57 15.23 114.33 -108.38 -68.09 149.41 91.16 2.28 6.56 77.69 7.94 5.24 4.73 2.02 0.00 1.41 0.97 16 K C C 164.12 1.23 10.64 12.84 113.05 -119.23 -84.63 131.72 85.45 7.09 7.45 71.32 8.58 4.42 5.68 2.02 0.00 3.54 4.44 17 V C C 95.68 5.01 6.69 13.50 117.23 -153.07 -99.43 135.91 82.55 5.46 11.99 73.69 6.26 2.17 10.37 1.92 0.00 2.98 2.60 18 A C C 76.22 2.01 9.19 12.41 113.73 -116.74 -74.87 148.62 80.17 2.23 17.60 73.73 3.89 2.80 14.91 2.57 0.00 1.39 0.72 19 K C C 165.30 1.17 8.50 10.65 106.11 -112.06 -75.19 119.26 55.77 1.85 42.38 40.59 8.67 6.99 34.65 7.41 0.01 1.06 0.61 20 Q C H 133.50 1.84 7.76 11.04 109.19 68.45 -88.53 109.57 51.04 1.76 47.21 36.96 7.80 6.98 38.12 8.52 0.01 1.01 0.59 21 E H H 135.96 2.32 7.95 11.82 108.70 -129.96 -85.48 114.00 47.98 1.65 50.36 36.12 6.60 6.24 40.58 8.96 0.01 0.95 0.56 22 K C H 146.14 2.32 7.78 11.71 109.66 -144.28 -87.13 113.00 52.73 1.35 45.93 39.03 7.20 7.10 39.26 6.16 0.01 0.70 0.54 23 K C C 151.02 1.90 7.92 11.29 110.93 -158.32 -90.51 121.94 60.77 1.35 37.88 44.52 8.15 7.84 33.26 4.94 0.01 0.66 0.62 24 K C C 151.69 1.97 7.97 11.58 112.44 -148.33 -89.41 131.68 68.86 1.53 29.61 49.09 10.64 8.22 26.76 3.82 0.00 0.71 0.76 25 K C C 152.32 1.82 8.40 11.78 113.69 -136.54 -91.44 132.79 77.27 1.85 20.88 57.87 10.74 7.44 19.11 3.00 0.00 0.91 0.92 26 K C C 144.93 2.66 8.01 12.57 112.91 -138.33 -89.33 130.24 80.64 2.55 16.82 61.11 11.79 6.25 15.97 2.32 0.00 1.23 1.33 27 T C C 94.35 2.13 8.56 12.16 116.04 -170.33 -106.21 150.93 79.66 2.47 17.87 59.84 12.95 5.41 17.47 1.88 0.00 1.13 1.30 28 G H H 50.69 1.57 11.33 13.09 106.46 -3.57 -7.18 -99.57 38.61 0.97 60.41 22.27 11.07 6.94 56.48 2.40 0.02 0.38 0.44 29 R H H 161.30 1.33 11.20 12.62 94.74 15.20 -67.43 -36.34 12.69 0.36 86.95 7.16 2.54 4.47 83.09 2.39 0.02 0.19 0.12 30 A H H 54.28 3.24 10.34 15.27 92.93 54.79 -64.70 -39.24 7.04 0.39 92.58 4.27 1.25 2.57 89.15 2.37 0.02 0.27 0.09 31 K H H 120.38 2.10 12.24 15.00 92.51 51.90 -65.12 -39.91 2.97 0.23 96.80 1.46 0.56 1.28 94.67 1.79 0.01 0.18 0.04 32 R H H 141.88 1.39 13.22 14.33 92.22 50.76 -65.06 -40.76 2.44 0.23 97.34 0.90 0.39 1.30 95.61 1.57 0.02 0.17 0.04 33 R H H 134.55 1.91 12.69 15.05 92.49 50.48 -65.73 -40.38 3.11 0.24 96.64 0.98 0.42 1.88 94.66 1.80 0.03 0.20 0.05 34 M H H 97.53 2.95 11.71 15.87 93.23 50.78 -66.07 -39.66 5.80 0.18 94.01 1.46 0.68 3.81 91.71 2.11 0.04 0.13 0.06 35 Q H H 114.77 1.67 12.32 14.27 93.58 51.91 -66.20 -38.95 13.96 0.24 85.80 2.47 1.42 10.13 83.29 2.35 0.08 0.13 0.12 36 Y H H 148.47 1.54 11.72 13.42 94.36 50.24 -70.80 -36.71 30.56 0.59 68.86 6.15 4.17 20.88 64.93 3.13 0.16 0.25 0.34 37 N H H 93.68 2.82 10.64 14.73 97.01 52.16 -78.48 -23.29 39.87 1.15 58.98 15.63 5.71 19.94 50.80 6.68 0.09 0.57 0.57 38 R H H 147.74 2.72 10.38 14.48 95.35 69.52 -67.20 -25.05 32.35 1.37 66.28 11.40 4.43 15.76 43.42 23.59 0.07 0.83 0.49 39 R H H 158.57 1.79 10.62 13.35 95.74 63.82 -71.58 -25.82 33.35 1.86 64.79 9.17 4.56 18.05 41.21 25.14 0.11 1.21 0.56 40 F H H 140.08 2.31 9.91 13.38 100.08 51.50 -86.64 -11.18 32.97 5.17 61.86 11.27 5.57 15.52 40.19 22.33 0.25 3.59 1.27 41 V H H 101.13 3.05 9.14 13.79 103.42 71.12 -81.63 -5.57 44.29 10.17 45.54 16.69 9.66 18.77 33.32 11.40 0.59 6.90 2.68 42 N C T 120.72 1.71 10.24 12.83 102.77 54.01 -91.25 14.72 62.57 8.09 29.34 24.74 11.17 26.90 21.17 8.12 0.17 5.94 1.79 43 V C C 106.63 2.63 8.94 13.24 111.60 98.66 -92.70 117.85 71.05 10.66 18.28 42.97 18.57 9.64 13.84 4.69 0.09 6.37 3.83 44 V C C 104.46 2.62 8.53 12.97 116.77 114.40 -102.52 128.19 86.84 8.28 4.88 62.60 21.88 2.28 3.70 1.45 0.00 4.93 3.16 45 P C C 98.34 2.80 8.89 13.61 113.64 -115.62 -70.44 145.10 86.64 4.73 8.64 70.87 8.33 7.17 4.21 4.43 0.00 3.41 1.59 46 T C C 105.60 2.15 7.99 11.89 113.31 -154.56 -101.03 124.44 84.30 5.01 10.69 56.13 14.06 13.73 4.17 6.64 0.00 2.66 2.60 47 F C C 170.45 1.26 7.85 10.21 110.29 -119.81 -92.30 112.77 84.72 4.42 10.86 34.62 20.40 30.66 3.05 7.07 0.01 2.25 1.95 48 G C C 58.02 1.65 9.20 11.93 109.87 10.98 89.11 -4.62 87.97 4.04 7.99 32.86 26.08 29.73 1.76 5.91 0.01 2.14 1.52 49 K C C 158.45 1.58 9.63 12.47 111.75 -7.80 -92.36 124.08 85.47 7.13 7.40 53.20 21.88 10.33 2.06 5.32 0.01 3.91 3.29 50 K C C 143.40 2.88 8.62 13.52 115.69 -142.51 -92.38 134.72 86.06 9.68 4.26 66.42 12.36 6.62 1.46 2.90 0.00 5.79 4.44 51 K C C 146.32 2.65 9.52 14.11 115.29 -146.07 -96.44 134.48 87.70 9.77 2.53 67.90 14.61 4.14 1.07 1.52 0.00 4.61 6.15 52 G C C 36.61 4.89 8.91 15.53 125.81 -125.27 -99.16 173.52 95.10 2.49 2.42 69.82 21.30 3.64 0.86 1.58 0.00 1.17 1.63 53 P C T 113.92 1.57 10.54 12.69 95.75 -73.80 -66.21 -23.01 78.97 1.13 19.90 19.42 11.40 47.90 2.96 17.12 0.00 0.62 0.57 54 N C T 120.61 1.84 9.40 12.21 99.46 51.36 -87.92 4.75 76.48 1.38 22.13 18.78 11.24 46.64 3.86 17.98 0.01 0.72 0.76 55 A C C 70.22 4.75 7.47 13.93 104.13 109.29 -79.84 29.99 72.55 2.60 24.85 36.62 15.03 21.22 4.27 20.24 0.01 1.21 1.39 56 N C C 124.97 1.76 8.85 11.98 105.56 74.49 -91.94 53.79 85.93 1.89 12.18 61.05 5.39 20.26 3.61 7.61 0.00 1.02 1.05 57 S C C 79.89 3.28 9.95 14.99 109.41 114.46 -88.67 113.79 99.47 0.29 0.23 98.45 0.63 0.50 0.10 0.06 0.00 0.16 0.09