#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cf3 h ILE 4 N 0.00 0.68 -0.81 -0.61 2.10 -1.99 -2.07 117.51 114.81 1cf3 h ILE 4 Ca 0.00 -0.15 0.14 0.00 1.08 0.00 0.00 64.86 65.93 1cf3 h ILE 4 Cb 0.00 0.20 -0.09 0.00 -1.09 0.00 0.00 36.82 35.84 1cf3 h ILE 4 CO 0.00 0.08 0.39 -0.33 -1.08 0.00 0.00 178.15 177.21 1cf3 h GLU 5 N 0.44 0.54 0.00 2.19 4.39 -2.01 0.00 114.58 120.14 1cf3 h GLU 5 Ca 0.39 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 60.01 1cf3 h GLU 5 Cb 0.57 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1cf3 h GLU 5 CO -0.38 0.36 -0.24 0.00 -1.16 0.00 0.00 179.01 177.58 1cf3 h ALA 6 N 1.55 1.26 0.00 3.43 0.00 -1.87 -2.84 119.26 120.79 1cf3 h ALA 6 Ca 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1cf3 h ALA 6 Cb 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1cf3 h ALA 6 CO -0.37 0.31 -0.04 0.66 0.00 0.00 0.00 179.25 179.80 1cf3 h SER 7 N 0.00 0.00 -3.83 0.00 4.64 -0.95 -3.46 113.55 109.95 1cf3 h SER 7 Ca -0.00 -0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.81 1cf3 h SER 7 Cb 0.55 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1cf3 h SER 7 CO 0.03 0.00 0.46 -0.76 -0.87 0.00 0.00 176.83 175.69 1cf3 s LEU 8 N -5.68 4.48 0.13 5.97 1.43 -1.07 -4.79 118.68 119.14 1cf3 s LEU 8 Ca 0.08 2.21 -0.19 0.00 -1.03 0.00 0.00 54.13 55.20 1cf3 s LEU 8 Cb 0.07 -3.73 -0.07 0.00 0.03 0.00 0.00 46.19 42.49 1cf3 s LEU 8 CO 0.65 -0.20 0.62 -0.76 0.23 0.00 0.00 176.35 176.90 1cf3 s LEU 9 N -1.67 4.45 0.00 1.79 1.43 -0.05 -4.96 118.68 119.67 1cf3 s LEU 9 Ca 0.47 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 1cf3 s LEU 9 Cb -0.30 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1cf3 s LEU 9 CO 0.38 0.17 0.00 0.35 0.23 0.00 0.00 176.35 177.48 1cf3 n THR 10 N 1.26 0.00 -3.22 5.49 -2.24 -1.26 -1.13 114.28 113.18 1cf3 n THR 10 Ca -0.07 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.32 1cf3 n THR 10 Cb 0.51 0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 68.89 1cf3 n THR 10 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cf3 s ASP 11 N -1.08 6.54 0.47 3.42 -1.08 -1.26 -4.89 116.67 118.79 1cf3 s ASP 11 Ca 0.00 0.65 0.16 0.00 -0.52 0.00 0.00 52.55 52.84 1cf3 s ASP 11 Cb 0.00 -2.30 1.15 0.00 -1.46 0.00 0.00 42.92 40.31 1cf3 s ASP 11 CO 0.00 -0.24 2.04 1.55 0.52 0.00 0.00 175.17 179.04 1cf3 h PRO 12 N 7.65 0.23 0.00 4.34 0.13 -1.96 -0.98 132.00 141.42 1cf3 h PRO 12 Ca -0.31 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1cf3 h PRO 12 Cb 1.15 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1cf3 h PRO 12 CO 0.74 0.15 0.00 1.63 -0.23 0.00 0.00 178.00 180.29 1cf3 n LYS 13 N -4.47 0.18 0.14 0.86 4.76 -1.26 -1.45 118.16 116.92 1cf3 n LYS 13 Ca 0.06 0.37 0.13 0.00 -2.87 0.00 0.00 58.31 56.00 1cf3 n LYS 13 Cb 0.31 -1.82 0.43 0.00 -1.84 0.00 0.00 35.03 32.11 1cf3 n LYS 13 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1cf3 h ASP 14 N 0.00 0.00 0.00 4.39 3.32 -1.59 -3.32 116.42 119.22 1cf3 h ASP 14 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1cf3 h ASP 14 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1cf3 h ASP 14 CO 0.00 0.00 -0.84 1.33 -1.72 0.00 0.00 179.24 178.01 1cf3 n VAL 15 N -2.39 0.00 -1.63 -1.35 0.24 -1.05 -4.99 118.33 107.16 1cf3 n VAL 15 Ca 0.04 0.00 -0.51 0.00 -2.04 0.00 0.00 64.34 61.83 1cf3 n VAL 15 Cb 0.37 0.20 -0.06 0.00 -1.47 0.00 0.00 33.84 32.88 1cf3 n VAL 15 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1cf3 n SER 16 N -1.35 2.13 0.00 -1.34 2.88 -0.53 -1.70 113.62 113.71 1cf3 n SER 16 Ca 0.00 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1cf3 n SER 16 Cb 0.07 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.29 1cf3 n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1cf3 n GLY 17 N 3.02 2.76 3.76 0.46 0.00 -0.28 -4.99 105.19 109.92 1cf3 n GLY 17 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1cf3 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cf3 s ARG 18 N 0.00 0.70 -0.07 1.61 0.52 -0.69 -4.81 118.95 116.22 1cf3 s ARG 18 Ca 0.00 0.23 0.03 0.00 -0.52 0.00 0.00 55.73 55.47 1cf3 s ARG 18 Cb 0.00 -1.79 0.01 0.00 0.52 0.00 0.00 34.95 33.69 1cf3 s ARG 18 CO 0.00 -2.48 -0.14 0.99 0.02 0.00 0.00 175.30 173.69 1cf3 s THR 19 N -3.24 1.25 0.36 0.02 2.01 -1.26 -2.16 115.64 112.62 1cf3 s THR 19 Ca 0.66 -0.55 0.05 0.00 0.31 0.00 0.00 61.69 62.15 1cf3 s THR 19 Cb -0.14 -1.13 -0.06 0.00 0.01 0.00 0.00 72.50 71.17 1cf3 s THR 19 CO 0.54 0.38 0.05 0.68 -0.69 0.00 0.00 174.62 175.58 1cf3 s VAL 20 N 0.59 1.37 -0.01 3.82 -7.23 -0.48 -4.96 120.40 113.50 1cf3 s VAL 20 Ca -0.15 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.80 1cf3 s VAL 20 Cb -0.16 -2.81 -0.13 0.00 0.56 0.00 0.00 36.38 33.84 1cf3 s VAL 20 CO 0.04 0.00 0.98 0.44 -0.31 0.00 0.00 175.10 176.25 1cf3 h ASP 21 N 1.99 -0.58 -4.46 4.85 3.32 -1.73 0.25 116.42 120.07 1cf3 h ASP 21 Ca -0.41 -0.04 -0.64 0.00 0.02 0.00 0.00 57.03 55.96 1cf3 h ASP 21 Cb 1.25 0.15 -0.29 0.00 0.22 0.00 0.00 39.33 40.65 1cf3 h ASP 21 CO 0.72 -0.17 -0.87 -0.31 -1.72 0.00 0.00 179.24 176.89 1cf3 s TYR 22 N -4.21 2.03 -0.15 4.55 1.51 -0.76 -1.00 117.35 119.32 1cf3 s TYR 22 Ca -0.12 -0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 55.54 1cf3 s TYR 22 Cb 0.01 -1.29 -0.02 0.00 -0.11 0.00 0.00 41.96 40.56 1cf3 s TYR 22 CO 0.40 -0.01 -0.10 0.42 -1.11 0.00 0.00 175.55 175.15 1cf3 s ILE 23 N -0.58 3.28 -0.28 2.71 1.01 -0.96 -1.47 121.20 124.92 1cf3 s ILE 23 Ca 0.09 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 1cf3 s ILE 23 Cb -0.09 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.98 1cf3 s ILE 23 CO -0.00 0.50 0.03 -0.63 0.00 0.00 0.00 174.94 174.84 1cf3 s ILE 24 N 0.52 3.57 -0.55 2.92 1.01 0.02 -0.31 121.20 128.37 1cf3 s ILE 24 Ca -0.07 -0.80 -0.23 0.00 0.00 0.00 0.00 60.65 59.55 1cf3 s ILE 24 Cb -0.15 -2.83 0.05 0.00 0.01 0.00 0.00 42.46 39.54 1cf3 s ILE 24 CO 0.04 0.13 0.88 0.00 0.00 0.00 0.00 174.94 175.98 1cf3 s ALA 25 N 1.44 3.20 0.00 9.38 0.00 -0.23 -1.40 121.76 134.16 1cf3 s ALA 25 Ca 0.02 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1cf3 s ALA 25 Cb -0.17 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1cf3 s ALA 25 CO -0.00 -2.34 0.00 0.41 0.00 0.00 0.00 175.76 173.83 1cf3 n GLY 26 N 5.15 3.05 2.82 0.00 0.00 0.97 -0.77 105.19 116.40 1cf3 n GLY 26 Ca -0.01 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 1cf3 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cf3 n GLY 27 N 0.58 5.60 0.00 -0.02 0.00 -1.26 -4.32 105.19 105.77 1cf3 n GLY 27 Ca 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 46.02 43.54 1cf3 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cf3 n GLY 28 N -0.58 1.91 0.47 -0.02 0.00 -1.26 0.16 105.19 105.86 1cf3 n GLY 28 Ca 0.54 -1.94 -0.17 0.00 0.00 0.00 0.00 46.02 44.45 1cf3 n GLY 28 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cf3 h LEU 29 N 0.00 -1.24 -0.41 0.99 6.46 -1.92 -1.14 115.31 118.05 1cf3 h LEU 29 Ca 0.00 0.09 -0.17 0.00 -0.12 0.00 0.00 57.88 57.68 1cf3 h LEU 29 Cb 0.00 0.39 -0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1cf3 h LEU 29 CO 0.00 -0.65 -0.49 0.71 -0.62 0.00 0.00 178.44 177.38 1cf3 h THR 30 N -1.01 1.29 -0.36 1.05 1.35 -1.90 -2.79 112.91 110.53 1cf3 h THR 30 Ca -0.08 -1.69 -0.00 0.00 -0.55 0.00 0.00 66.41 64.10 1cf3 h THR 30 Cb 0.85 1.59 -0.02 0.00 -1.73 0.00 0.00 68.15 68.84 1cf3 h THR 30 CO 0.01 0.55 0.22 1.23 -0.25 0.00 0.00 175.52 177.28 1cf3 h GLY 31 N 0.83 0.52 1.76 5.82 0.00 -1.74 -1.45 103.07 108.81 1cf3 h GLY 31 Ca 0.03 -0.21 -0.15 0.00 0.00 0.00 0.00 47.33 47.00 1cf3 h GLY 31 CO 0.11 0.20 -0.62 1.41 0.00 0.00 0.00 176.54 177.64 1cf3 h LEU 32 N 0.47 0.28 -0.19 3.11 3.38 -1.27 -0.34 115.31 120.75 1cf3 h LEU 32 Ca 0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1cf3 h LEU 32 Cb -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1cf3 h LEU 32 CO -0.03 0.83 0.04 0.74 0.09 0.00 0.00 178.44 180.12 1cf3 h THR 33 N 0.18 1.21 -0.28 0.22 2.02 -1.38 -1.35 112.91 113.53 1cf3 h THR 33 Ca -0.01 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 1cf3 h THR 33 Cb 1.14 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1cf3 h THR 33 CO 0.10 0.21 0.17 0.74 0.37 0.00 0.00 175.52 177.11 1cf3 h THR 34 N 0.12 1.10 -0.56 3.16 2.02 -1.17 -1.50 112.91 116.07 1cf3 h THR 34 Ca 0.06 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 67.03 1cf3 h THR 34 Cb 0.28 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1cf3 h THR 34 CO 0.00 0.10 0.36 0.00 0.37 0.00 0.00 175.52 176.35 1cf3 h ALA 35 N 1.07 0.72 -0.42 6.16 0.00 -0.93 0.09 119.26 125.95 1cf3 h ALA 35 Ca 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1cf3 h ALA 35 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1cf3 h ALA 35 CO -0.02 0.11 0.09 0.00 0.00 0.00 0.00 179.25 179.43 1cf3 h ALA 36 N 1.23 0.55 -0.22 0.00 0.00 -1.08 -2.37 119.26 117.36 1cf3 h ALA 36 Ca 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1cf3 h ALA 36 Cb -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1cf3 h ALA 36 CO -0.07 0.24 0.14 -0.09 0.00 0.00 0.00 179.25 179.46 1cf3 h ARG 37 N 0.54 0.30 -0.05 0.00 9.65 -0.88 -2.99 114.38 120.94 1cf3 h ARG 37 Ca 0.13 -0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 58.90 1cf3 h ARG 37 Cb 0.33 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 1cf3 h ARG 37 CO 0.00 0.24 -0.36 -0.07 2.80 0.00 0.00 179.97 182.58 1cf3 h LEU 38 N 0.28 0.11 -1.13 3.80 3.38 -0.95 -2.88 115.31 117.92 1cf3 h LEU 38 Ca 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1cf3 h LEU 38 Cb 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1cf3 h LEU 38 CO -0.02 0.46 0.00 0.35 0.09 0.00 0.00 178.44 179.33 1cf3 n THR 39 N -4.09 0.43 0.04 0.22 -2.24 -0.90 -3.52 114.28 104.22 1cf3 n THR 39 Ca -0.02 -0.40 -0.02 0.00 -2.27 0.00 0.00 64.05 61.34 1cf3 n THR 39 Cb 0.42 0.17 0.23 0.00 -2.10 0.00 0.00 70.33 69.05 1cf3 n THR 39 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1cf3 h GLU 40 N 1.72 0.41 -6.26 -0.78 5.08 -1.45 -3.37 114.58 109.92 1cf3 h GLU 40 Ca 0.00 -0.15 -0.58 0.00 -1.00 0.00 0.00 59.36 57.63 1cf3 h GLU 40 Cb 0.43 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.57 1cf3 h GLU 40 CO 0.01 0.64 0.72 1.21 -1.00 0.00 0.00 179.01 180.59 1cf3 s ASN 41 N -6.83 6.72 0.52 1.42 3.84 -1.23 -4.93 114.94 114.45 1cf3 s ASN 41 Ca -0.06 0.65 0.35 0.00 0.21 0.00 0.00 52.86 54.00 1cf3 s ASN 41 Cb 0.14 -2.50 1.87 0.00 -0.55 0.00 0.00 41.25 40.21 1cf3 s ASN 41 CO 0.78 -0.95 2.06 1.55 -2.79 0.00 0.00 177.10 177.75 1cf3 h PRO 42 N 8.56 0.00 0.00 0.43 0.13 -1.90 -2.38 132.00 136.84 1cf3 h PRO 42 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1cf3 h PRO 42 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1cf3 h PRO 42 CO 1.03 0.00 -0.15 -0.91 -0.23 0.00 0.00 178.00 177.73 1cf3 h ASN 43 N 0.00 0.00 -3.48 1.44 2.35 -1.92 -3.45 115.58 110.52 1cf3 h ASN 43 Ca 0.00 -0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.15 1cf3 h ASN 43 Cb 0.02 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.28 1cf3 h ASN 43 CO 0.00 0.00 -0.09 -0.63 -1.65 0.00 0.00 177.43 175.06 1cf3 s ILE 44 N -3.23 5.13 -0.16 2.81 1.01 -0.90 -5.04 121.20 120.83 1cf3 s ILE 44 Ca 0.06 0.88 -0.12 0.00 0.00 0.00 0.00 60.65 61.47 1cf3 s ILE 44 Cb 0.06 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 1cf3 s ILE 44 CO 0.68 0.20 0.22 -0.94 0.00 0.00 0.00 174.94 175.10 1cf3 s SER 45 N 1.14 6.37 -0.03 3.58 1.04 -1.26 -4.72 113.70 119.82 1cf3 s SER 45 Ca 0.22 0.44 0.05 0.00 0.48 0.00 0.00 55.95 57.14 1cf3 s SER 45 Cb -0.15 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.82 1cf3 s SER 45 CO 0.09 0.18 -0.17 -0.69 0.98 0.00 0.00 173.24 173.64 1cf3 s VAL 46 N 0.12 1.36 -0.16 5.02 1.01 0.26 -1.84 120.40 126.18 1cf3 s VAL 46 Ca 0.14 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1cf3 s VAL 46 Cb -0.12 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1cf3 s VAL 46 CO 0.02 0.39 -0.20 -0.22 0.00 0.00 0.00 175.10 175.09 1cf3 s LEU 47 N -0.19 2.20 -0.21 3.92 2.96 -0.54 -0.80 118.68 126.02 1cf3 s LEU 47 Ca 0.02 -0.59 -0.10 0.00 -0.22 0.00 0.00 54.13 53.24 1cf3 s LEU 47 Cb -0.09 -1.48 -0.05 0.00 0.50 0.00 0.00 46.19 45.07 1cf3 s LEU 47 CO 0.01 0.05 0.13 -0.69 -1.32 0.00 0.00 176.35 174.53 1cf3 s VAL 48 N 0.98 5.37 -0.25 1.68 1.01 0.11 -0.80 120.40 128.50 1cf3 s VAL 48 Ca -0.03 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 1cf3 s VAL 48 Cb -0.15 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.80 1cf3 s VAL 48 CO -0.05 0.42 -0.04 -0.63 0.00 0.00 0.00 175.10 174.80 1cf3 s ILE 49 N 0.48 3.01 -0.05 2.22 1.01 -0.49 -0.61 121.20 126.77 1cf3 s ILE 49 Ca 0.08 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 59.80 1cf3 s ILE 49 Cb -0.11 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 1cf3 s ILE 49 CO -0.01 0.18 -0.24 -0.70 0.00 0.00 0.00 174.94 174.17 1cf3 s GLU 50 N 1.34 2.50 0.28 2.79 2.56 -0.24 -0.02 118.70 127.91 1cf3 s GLU 50 Ca 0.00 -0.88 0.07 0.00 0.00 0.00 0.00 54.97 54.16 1cf3 s GLU 50 Cb -0.17 -2.18 0.39 0.00 2.00 0.00 0.00 34.13 34.17 1cf3 s GLU 50 CO -0.04 0.43 1.65 0.66 -0.56 0.00 0.00 175.26 177.40 1cf3 h SER 51 N 5.92 0.18 -1.19 -1.70 4.64 -1.83 -0.84 113.55 118.74 1cf3 h SER 51 Ca -0.35 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1cf3 h SER 51 Cb 1.17 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1cf3 h SER 51 CO 0.48 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 177.71 1cf3 n GLY 52 N 0.03 1.38 0.00 -0.77 0.00 -1.26 -3.03 105.19 101.54 1cf3 n GLY 52 Ca -0.02 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1cf3 n GLY 52 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1cf3 n SER 53 N 0.00 0.08 -4.68 1.61 2.88 -1.26 -2.02 113.62 110.23 1cf3 n SER 53 Ca 0.00 -0.50 -0.43 0.00 -1.33 0.00 0.00 58.87 56.61 1cf3 n SER 53 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1cf3 n SER 53 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1cf3 s TYR 54 N -1.44 3.35 0.00 0.66 5.04 -1.26 -0.97 117.35 122.73 1cf3 s TYR 54 Ca 0.00 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 56.07 1cf3 s TYR 54 Cb 0.00 -3.28 0.00 0.00 0.35 0.00 0.00 41.96 39.03 1cf3 s TYR 54 CO 0.00 -0.61 0.11 0.39 -1.34 0.00 0.00 175.55 174.10 1cf3 n GLU 55 N 5.60 2.09 0.22 4.97 -0.58 -1.26 -4.89 120.64 126.78 1cf3 n GLU 55 Ca 0.11 -0.11 0.05 0.00 -0.42 0.00 0.00 57.16 56.78 1cf3 n GLU 55 Cb 0.47 -0.48 0.48 0.00 -0.57 0.00 0.00 31.44 31.34 1cf3 n GLU 55 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1cf3 h SER 56 N 0.00 0.00 -0.50 1.62 0.02 -1.90 -2.02 113.55 110.77 1cf3 h SER 56 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1cf3 h SER 56 Cb 0.09 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1cf3 h SER 56 CO 0.00 0.22 0.03 -0.90 -1.14 0.00 0.00 176.83 175.04 1cf3 n ASP 57 N -4.27 5.09 -0.22 3.07 5.75 -1.26 -4.61 116.55 120.11 1cf3 n ASP 57 Ca -0.02 -3.01 -0.04 0.00 -0.01 0.00 0.00 54.79 51.71 1cf3 n ASP 57 Cb 0.28 -0.65 0.06 0.00 -1.03 0.00 0.00 41.12 39.77 1cf3 n ASP 57 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1cf3 h ARG 58 N 3.19 0.74 0.00 0.11 2.43 -1.72 -3.49 114.38 115.64 1cf3 h ARG 58 Ca 0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1cf3 h ARG 58 Cb 1.87 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.26 1cf3 h ARG 58 CO 0.45 0.49 0.00 0.41 -1.51 0.00 0.00 179.97 179.80 1cf3 n GLY 59 N -1.27 -0.26 0.31 2.80 0.00 -1.26 -4.95 105.19 100.56 1cf3 n GLY 59 Ca 0.06 -1.60 0.15 0.00 0.00 0.00 0.00 46.02 44.64 1cf3 n GLY 59 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1cf3 h PRO 60 N 4.00 0.00 0.00 1.61 0.11 -1.94 -0.17 132.00 135.61 1cf3 h PRO 60 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1cf3 h PRO 60 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1cf3 h PRO 60 CO 0.00 0.00 -0.01 0.97 -0.21 0.00 0.00 178.00 178.75 1cf3 h ILE 61 N 0.00 0.74 0.00 4.15 2.10 -1.92 -1.11 117.51 121.48 1cf3 h ILE 61 Ca 0.05 -0.04 -0.30 0.00 1.08 0.00 0.00 64.86 65.64 1cf3 h ILE 61 Cb 0.24 1.03 -0.05 0.00 -1.09 0.00 0.00 36.82 36.95 1cf3 h ILE 61 CO -0.00 0.01 -2.05 -0.38 -1.08 0.00 0.00 178.15 174.65 1cf3 n ILE 62 N -4.14 1.04 0.22 2.19 2.08 -0.70 -4.64 119.36 115.40 1cf3 n ILE 62 Ca -0.03 -0.31 0.11 0.00 0.56 0.00 0.00 62.75 63.08 1cf3 n ILE 62 Cb 0.10 -1.56 0.37 0.00 -0.75 0.00 0.00 39.64 37.80 1cf3 n ILE 62 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1cf3 h GLU 63 N -0.46 0.00 -4.93 0.38 5.08 -0.99 -3.43 114.58 110.22 1cf3 h GLU 63 Ca -0.46 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.26 1cf3 h GLU 63 Cb 1.49 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.53 1cf3 h GLU 63 CO -0.22 0.17 -0.58 0.34 -1.00 0.00 0.00 179.01 177.72 1cf3 s ASP 64 N -6.13 5.49 0.60 1.42 -1.08 -0.43 -1.23 116.67 115.31 1cf3 s ASP 64 Ca 0.03 -0.13 0.36 0.00 -0.52 0.00 0.00 52.55 52.29 1cf3 s ASP 64 Cb 0.08 -2.00 1.88 0.00 -1.46 0.00 0.00 42.92 41.42 1cf3 s ASP 64 CO 0.64 -0.04 2.20 -0.07 0.52 0.00 0.00 175.17 178.42 1cf3 h LEU 65 N 8.28 0.00 -0.24 -1.34 3.38 -1.83 -2.00 115.31 121.55 1cf3 h LEU 65 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1cf3 h LEU 65 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1cf3 h LEU 65 CO 0.57 0.03 0.00 0.59 0.09 0.00 0.00 178.44 179.72 1cf3 n ASN 66 N -3.31 0.41 -0.94 -0.43 3.02 -1.26 -2.04 115.26 110.70 1cf3 n ASN 66 Ca -0.02 0.57 0.07 0.00 -0.03 0.00 0.00 54.58 55.18 1cf3 n ASN 66 Cb 0.17 -0.67 0.22 0.00 -0.61 0.00 0.00 39.78 38.88 1cf3 n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cf3 n ALA 67 N -1.66 2.55 -1.54 5.41 0.00 -0.75 -4.98 120.51 119.54 1cf3 n ALA 67 Ca 0.04 -0.88 -0.58 0.00 0.00 0.00 0.00 53.44 52.02 1cf3 n ALA 67 Cb 0.28 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.67 1cf3 n ALA 67 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1cf3 n TYR 68 N 0.83 0.91 0.00 0.00 9.36 -0.87 -1.62 117.16 125.77 1cf3 n TYR 68 Ca 0.16 0.98 0.00 0.00 3.32 0.00 0.00 57.90 62.36 1cf3 n TYR 68 Cb 0.46 -2.15 0.00 0.00 -0.63 0.00 0.00 39.34 37.01 1cf3 n TYR 68 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1cf3 n GLY 69 N 1.93 3.19 0.29 2.98 0.00 -1.26 -4.92 105.19 107.40 1cf3 n GLY 69 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.23 1cf3 n GLY 69 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1cf3 h ASP 70 N 0.01 0.59 0.74 1.61 5.19 -1.65 -2.71 116.42 120.20 1cf3 h ASP 70 Ca 0.00 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1cf3 h ASP 70 Cb 0.00 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.36 1cf3 h ASP 70 CO 0.00 0.58 0.00 0.00 -3.12 0.00 0.00 179.24 176.70 1cf3 n ILE 71 N -4.33 0.78 -1.95 0.35 0.13 -1.26 -4.86 119.36 108.23 1cf3 n ILE 71 Ca 0.03 0.16 -0.41 0.00 -1.10 0.00 0.00 62.75 61.42 1cf3 n ILE 71 Cb 0.19 -0.95 -0.02 0.00 -0.84 0.00 0.00 39.64 38.01 1cf3 n ILE 71 CO 0.00 0.00 0.00 -0.36 2.80 0.00 0.00 176.55 178.99 1cf3 s PHE 72 N -3.12 2.93 0.00 9.51 0.08 -1.02 -2.36 117.98 123.99 1cf3 s PHE 72 Ca 0.07 0.99 0.00 0.00 0.12 0.00 0.00 56.93 58.11 1cf3 s PHE 72 Cb 0.11 -3.89 0.00 0.00 -0.57 0.00 0.00 43.02 38.67 1cf3 s PHE 72 CO 0.38 -2.89 0.00 0.41 -0.10 0.00 0.00 175.22 173.02 1cf3 n GLY 73 N 2.05 0.75 1.90 4.36 0.00 -1.26 -5.04 105.19 107.95 1cf3 n GLY 73 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1cf3 n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cf3 n SER 74 N 0.00 0.43 0.00 1.61 3.41 -0.99 -4.94 113.62 113.13 1cf3 n SER 74 Ca 0.00 -1.43 0.11 0.00 -0.26 0.00 0.00 58.87 57.29 1cf3 n SER 74 Cb 0.00 -0.39 0.53 0.00 -0.26 0.00 0.00 64.21 64.09 1cf3 n SER 74 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1cf3 n SER 75 N -3.14 0.00 -0.49 4.04 3.41 -1.26 -1.75 113.62 114.44 1cf3 n SER 75 Ca 0.08 0.24 0.13 0.00 -0.26 0.00 0.00 58.87 59.06 1cf3 n SER 75 Cb 0.29 -0.40 0.49 0.00 -0.26 0.00 0.00 64.21 64.33 1cf3 n SER 75 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1cf3 n VAL 76 N -1.40 0.06 -4.07 -3.33 0.31 -1.26 -4.74 118.33 103.90 1cf3 n VAL 76 Ca 0.08 -0.27 -0.33 0.00 -0.01 0.00 0.00 64.34 63.81 1cf3 n VAL 76 Cb 0.22 0.44 -0.15 0.00 -0.91 0.00 0.00 33.84 33.44 1cf3 n VAL 76 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1cf3 s ASP 77 N -1.88 3.63 0.46 4.52 2.15 -0.71 -0.70 116.67 124.13 1cf3 s ASP 77 Ca 0.37 -0.79 0.23 0.00 0.43 0.00 0.00 52.55 52.79 1cf3 s ASP 77 Cb 0.20 -1.54 1.10 0.00 -0.30 0.00 0.00 42.92 42.38 1cf3 s ASP 77 CO 0.32 -0.05 1.93 0.45 -0.17 0.00 0.00 175.17 177.64 1cf3 h HIS 78 N 7.94 0.00 -6.72 -5.34 3.86 -1.11 -3.43 115.15 110.35 1cf3 h HIS 78 Ca -0.39 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.27 1cf3 h HIS 78 Cb 1.12 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.58 1cf3 h HIS 78 CO 0.52 0.22 -0.98 0.00 0.86 0.00 0.00 177.93 178.56 1cf3 n ALA 79 N -2.30 -2.48 -2.03 2.45 0.00 -1.24 -4.85 120.51 110.06 1cf3 n ALA 79 Ca -0.01 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 1cf3 n ALA 79 Cb 0.35 -2.78 -0.03 0.00 0.00 0.00 0.00 19.45 16.99 1cf3 n ALA 79 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1cf3 s TYR 80 N -3.64 3.15 -0.05 0.00 2.02 -0.85 -4.67 117.35 113.33 1cf3 s TYR 80 Ca 0.40 0.91 -0.18 0.00 -0.37 0.00 0.00 57.07 57.83 1cf3 s TYR 80 Cb -0.19 -3.77 -0.05 0.00 -0.40 0.00 0.00 41.96 37.55 1cf3 s TYR 80 CO 0.94 -2.66 0.50 -2.00 -1.57 0.00 0.00 175.55 170.76 1cf3 s GLU 81 N 0.68 4.22 0.83 -0.62 2.12 -1.26 -0.16 118.70 124.51 1cf3 s GLU 81 Ca 0.64 0.53 -0.12 0.00 0.36 0.00 0.00 54.97 56.39 1cf3 s GLU 81 Cb -0.40 -3.35 0.09 0.00 0.26 0.00 0.00 34.13 30.73 1cf3 s GLU 81 CO 0.34 0.38 1.12 0.95 -0.54 0.00 0.00 175.26 177.50 1cf3 s THR 82 N -0.12 2.69 1.37 -1.70 -4.23 -0.51 -4.56 115.64 108.57 1cf3 s THR 82 Ca 0.27 0.22 -0.21 0.00 -1.18 0.00 0.00 61.69 60.79 1cf3 s THR 82 Cb -0.17 -3.01 0.35 0.00 1.34 0.00 0.00 72.50 71.01 1cf3 s THR 82 CO 0.13 -0.29 0.96 0.68 -0.54 0.00 0.00 174.62 175.57 1cf3 s VAL 83 N -3.25 1.35 -0.27 2.29 -7.23 -0.57 -4.50 120.40 108.23 1cf3 s VAL 83 Ca 0.62 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.50 1cf3 s VAL 83 Cb -0.14 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 1cf3 s VAL 83 CO 0.53 0.00 1.57 -0.70 -0.31 0.00 0.00 175.10 176.19 1cf3 s GLU 84 N -5.04 3.73 0.33 4.82 2.12 -1.26 -4.44 118.70 118.96 1cf3 s GLU 84 Ca 0.69 1.48 -0.28 0.00 0.36 0.00 0.00 54.97 57.22 1cf3 s GLU 84 Cb -0.14 -4.03 -0.10 0.00 0.26 0.00 0.00 34.13 30.12 1cf3 s GLU 84 CO 0.59 -1.37 1.21 -0.51 -0.54 0.00 0.00 175.26 174.64 1cf3 s LEU 85 N 5.31 4.42 0.44 2.70 1.43 0.87 -4.82 118.68 129.03 1cf3 s LEU 85 Ca 0.69 2.48 0.19 0.00 -1.03 0.00 0.00 54.13 56.46 1cf3 s LEU 85 Cb -0.22 -3.72 1.02 0.00 0.03 0.00 0.00 46.19 43.31 1cf3 s LEU 85 CO 0.29 -0.43 1.93 0.00 0.23 0.00 0.00 176.35 178.37 1cf3 h ALA 86 N 3.38 1.35 -0.15 4.21 0.00 -1.91 0.28 119.26 126.42 1cf3 h ALA 86 Ca -0.48 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.11 1cf3 h ALA 86 Cb 1.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1cf3 h ALA 86 CO 0.65 0.31 -0.34 0.00 0.00 0.00 0.00 179.25 179.87 1cf3 h THR 87 N 0.00 1.28 0.00 0.00 1.03 -1.92 -3.37 112.91 109.93 1cf3 h THR 87 Ca -0.00 -1.38 0.00 0.00 -0.01 0.00 0.00 66.41 65.02 1cf3 h THR 87 Cb 0.52 1.55 0.00 0.00 -1.07 0.00 0.00 68.15 69.15 1cf3 h THR 87 CO 0.03 0.42 0.00 -0.46 -0.01 0.00 0.00 175.52 175.50 1cf3 n ASN 88 N -4.08 0.20 -2.57 0.00 0.23 -1.17 -4.95 115.26 102.93 1cf3 n ASN 88 Ca -0.01 -1.04 -0.21 0.00 -0.53 0.00 0.00 54.58 52.79 1cf3 n ASN 88 Cb 0.44 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.15 1cf3 n ASN 88 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1cf3 n ASN 89 N -0.02 -5.85 -4.36 0.53 3.02 0.97 -4.97 115.26 104.58 1cf3 n ASN 89 Ca 0.00 -0.14 -0.20 0.00 -0.03 0.00 0.00 54.58 54.21 1cf3 n ASN 89 Cb 0.28 -4.78 -0.10 0.00 -0.61 0.00 0.00 39.78 34.57 1cf3 n ASN 89 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1cf3 s GLN 90 N -5.30 1.35 0.10 3.52 -0.21 -1.25 -4.76 119.66 113.12 1cf3 s GLN 90 Ca 0.13 -1.55 -0.04 0.00 0.02 0.00 0.00 55.36 53.93 1cf3 s GLN 90 Cb -0.06 -1.27 -0.05 0.00 1.00 0.00 0.00 33.01 32.63 1cf3 s GLN 90 CO 0.16 0.23 0.32 0.95 -2.12 0.00 0.00 175.29 174.83 1cf3 s THR 91 N -2.60 5.24 0.22 -0.19 -4.23 -1.26 -0.09 115.64 112.73 1cf3 s THR 91 Ca 0.21 -0.06 0.11 0.00 -1.18 0.00 0.00 61.69 60.77 1cf3 s THR 91 Cb -0.03 -3.62 -0.05 0.00 1.34 0.00 0.00 72.50 70.14 1cf3 s THR 91 CO 0.08 0.10 -0.22 0.00 -0.54 0.00 0.00 174.62 174.04 1cf3 s ALA 92 N -1.58 2.55 -0.17 3.99 0.00 -1.26 -4.96 121.76 120.33 1cf3 s ALA 92 Ca 0.38 -1.71 -0.08 0.00 0.00 0.00 0.00 51.96 50.55 1cf3 s ALA 92 Cb -0.13 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1cf3 s ALA 92 CO 0.25 0.36 0.11 -0.51 0.00 0.00 0.00 175.76 175.96 1cf3 s LEU 93 N -2.96 4.14 -0.48 0.00 1.43 -1.26 -1.43 118.68 118.12 1cf3 s LEU 93 Ca 0.23 0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 53.45 1cf3 s LEU 93 Cb -0.07 -2.04 0.09 0.00 0.03 0.00 0.00 46.19 44.21 1cf3 s LEU 93 CO 0.11 0.25 0.40 -0.63 0.23 0.00 0.00 176.35 176.72 1cf3 s ILE 94 N -0.10 4.98 0.26 -0.59 -1.09 0.78 -4.79 121.20 120.66 1cf3 s ILE 94 Ca 0.09 -1.31 -0.30 0.00 -2.23 0.00 0.00 60.65 56.90 1cf3 s ILE 94 Cb -0.12 -4.08 -0.10 0.00 -1.58 0.00 0.00 42.46 36.58 1cf3 s ILE 94 CO 0.00 -0.67 1.45 -0.13 -1.23 0.00 0.00 174.94 174.36 1cf3 s ARG 95 N 1.57 4.25 -0.27 2.79 1.81 -1.26 -2.01 118.95 125.83 1cf3 s ARG 95 Ca 0.04 2.34 -0.14 0.00 -1.72 0.00 0.00 55.73 56.25 1cf3 s ARG 95 Cb -0.26 -3.09 0.09 0.00 -0.45 0.00 0.00 34.95 31.23 1cf3 s ARG 95 CO 0.04 -0.44 0.64 0.45 -0.68 0.00 0.00 175.30 175.31 1cf3 s SER 96 N 0.33 -0.91 0.34 0.23 0.15 -1.26 -4.90 113.70 107.68 1cf3 s SER 96 Ca 0.59 1.44 -0.29 0.00 0.70 0.00 0.00 55.95 58.39 1cf3 s SER 96 Cb -0.43 1.48 -0.10 0.00 -1.71 0.00 0.00 66.02 65.26 1cf3 s SER 96 CO 0.45 -0.23 1.36 -0.83 1.20 0.00 0.00 173.24 175.18 1cf3 s GLY 97 N 1.87 2.94 -0.32 9.45 0.00 -1.26 -0.58 107.32 119.42 1cf3 s GLY 97 Ca -0.09 1.34 0.02 0.00 0.00 0.00 0.00 44.72 45.99 1cf3 s GLY 97 CO -0.19 2.02 0.05 0.21 0.00 0.00 0.00 173.10 175.19 1cf3 s ASN 98 N -0.35 4.50 0.00 1.64 2.47 0.13 -4.14 114.94 119.19 1cf3 s ASN 98 Ca 0.50 -1.93 0.00 0.00 0.42 0.00 0.00 52.86 51.86 1cf3 s ASN 98 Cb -0.41 -1.39 0.00 0.00 -1.45 0.00 0.00 41.25 37.99 1cf3 s ASN 98 CO 0.54 -0.37 0.00 0.61 -3.72 0.00 0.00 177.10 174.16 1cf3 n GLY 99 N 4.45 2.02 3.67 1.21 0.00 -1.26 -4.44 105.19 110.83 1cf3 n GLY 99 Ca 0.01 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 1cf3 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cf3 s LEU 100 N 0.00 4.39 0.00 0.99 1.43 -0.14 -0.28 118.68 125.07 1cf3 s LEU 100 Ca 0.00 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 1cf3 s LEU 100 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1cf3 s LEU 100 CO 0.00 -0.98 0.00 0.61 0.23 0.00 0.00 176.35 176.21 1cf3 n GLY 101 N 4.28 0.72 7.00 -3.19 0.00 0.12 -4.36 105.19 109.76 1cf3 n GLY 101 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1cf3 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cf3 n GLY 102 N -1.21 2.65 0.00 -0.02 0.00 0.62 -1.67 105.19 105.56 1cf3 n GLY 102 Ca 0.00 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.92 1cf3 n GLY 102 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cf3 n SER 103 N 1.39 0.00 0.18 1.61 7.64 -1.26 -1.41 113.62 121.77 1cf3 n SER 103 Ca 0.00 0.08 0.14 0.00 1.01 0.00 0.00 58.87 60.10 1cf3 n SER 103 Cb 0.00 -0.29 0.48 0.00 -1.01 0.00 0.00 64.21 63.39 1cf3 n SER 103 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1cf3 h THR 104 N 0.00 0.00 -0.06 0.44 1.35 -1.71 -2.43 112.91 110.50 1cf3 h THR 104 Ca 0.00 -0.48 -0.10 0.00 -0.55 0.00 0.00 66.41 65.28 1cf3 h THR 104 Cb 0.15 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 1cf3 h THR 104 CO 0.00 0.00 -0.41 -0.07 -0.25 0.00 0.00 175.52 174.79 1cf3 h LEU 105 N 0.00 0.13 -2.46 3.87 3.38 -1.32 -3.35 115.31 115.55 1cf3 h LEU 105 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1cf3 h LEU 105 Cb 0.58 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1cf3 h LEU 105 CO 0.00 0.53 0.00 1.33 0.09 0.00 0.00 178.44 180.39 1cf3 n VAL 106 N -4.03 0.72 -2.47 1.22 0.24 -1.08 -4.83 118.33 108.09 1cf3 n VAL 106 Ca -0.02 -0.86 -0.24 0.00 -2.04 0.00 0.00 64.34 61.18 1cf3 n VAL 106 Cb 0.46 0.67 0.14 0.00 -1.47 0.00 0.00 33.84 33.63 1cf3 n VAL 106 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1cf3 n ASN 107 N 0.02 1.10 0.01 -1.34 0.23 -0.94 -4.66 115.26 109.69 1cf3 n ASN 107 Ca 0.04 -2.01 0.14 0.00 -0.53 0.00 0.00 54.58 52.22 1cf3 n ASN 107 Cb 0.27 -0.72 0.57 0.00 -2.08 0.00 0.00 39.78 37.81 1cf3 n ASN 107 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cf3 n GLY 108 N -2.87 -1.50 2.64 4.83 0.00 -1.26 -4.93 105.19 102.09 1cf3 n GLY 108 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1cf3 n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cf3 n GLY 109 N 1.48 0.47 3.73 -0.02 0.00 -1.26 -4.91 105.19 104.68 1cf3 n GLY 109 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1cf3 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cf3 s THR 110 N -2.18 2.71 -0.39 2.61 2.01 -1.26 -1.04 115.64 118.11 1cf3 s THR 110 Ca 0.00 0.57 0.03 0.00 0.31 0.00 0.00 61.69 62.59 1cf3 s THR 110 Cb 0.00 -3.36 0.11 0.00 0.01 0.00 0.00 72.50 69.26 1cf3 s THR 110 CO 0.00 0.07 0.13 0.86 -0.69 0.00 0.00 174.62 175.00 1cf3 s TRP 111 N 0.41 2.98 0.18 4.92 -0.11 -1.09 -4.78 118.94 121.45 1cf3 s TRP 111 Ca 0.63 -2.71 -0.02 0.00 1.22 0.00 0.00 56.10 55.21 1cf3 s TRP 111 Cb -0.42 -2.52 -0.04 0.00 -1.50 0.00 0.00 33.47 28.99 1cf3 s TRP 111 CO 0.39 -0.87 0.13 0.95 -4.62 0.00 0.00 176.95 172.93 1cf3 s THR 112 N 0.70 0.04 0.18 5.86 -4.23 -1.26 -4.35 115.64 112.57 1cf3 s THR 112 Ca 0.13 -1.91 0.09 0.00 -1.18 0.00 0.00 61.69 58.82 1cf3 s THR 112 Cb -0.21 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 1cf3 s THR 112 CO -0.08 -0.16 -0.19 -0.13 -0.54 0.00 0.00 174.62 173.51 1cf3 s ARG 113 N -4.11 1.34 0.73 3.99 0.52 -0.72 -4.34 118.95 116.36 1cf3 s ARG 113 Ca 0.32 -1.46 -0.12 0.00 -0.52 0.00 0.00 55.73 53.95 1cf3 s ARG 113 Cb 0.07 -1.42 0.18 0.00 0.52 0.00 0.00 34.95 34.29 1cf3 s ARG 113 CO 0.08 0.29 0.81 -0.35 0.02 0.00 0.00 175.30 176.15 1cf3 n PRO 114 N 0.18 -1.62 -2.81 3.54 -0.04 -1.26 -4.63 135.00 128.36 1cf3 n PRO 114 Ca -0.12 -1.27 -0.40 0.00 -0.04 0.00 0.00 63.50 61.67 1cf3 n PRO 114 Cb 0.57 -1.00 -0.06 0.00 -0.04 0.00 0.00 33.50 32.98 1cf3 n PRO 114 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1cf3 s HIS 115 N -2.64 3.95 0.26 0.54 5.65 -1.26 -4.19 115.29 117.60 1cf3 s HIS 115 Ca 0.49 1.84 -0.03 0.00 0.25 0.00 0.00 55.06 57.60 1cf3 s HIS 115 Cb -0.03 -2.94 0.53 0.00 -1.18 0.00 0.00 32.58 28.97 1cf3 s HIS 115 CO 0.36 0.45 1.67 0.87 -0.65 0.00 0.00 174.74 177.43 1cf3 h LYS 116 N 4.35 0.24 0.00 2.88 1.57 -1.64 -1.52 116.57 122.46 1cf3 h LYS 116 Ca -0.45 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1cf3 h LYS 116 Cb 1.20 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 1cf3 h LYS 116 CO 0.68 0.16 -0.08 0.00 -0.57 0.00 0.00 179.45 179.64 1cf3 h ALA 117 N 1.67 1.33 -0.09 3.86 0.00 -1.93 -2.07 119.26 122.02 1cf3 h ALA 117 Ca 0.45 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 1cf3 h ALA 117 Cb 0.82 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1cf3 h ALA 117 CO -0.56 0.10 -0.09 1.96 0.00 0.00 0.00 179.25 180.65 1cf3 h GLN 118 N 0.00 0.22 -0.31 0.00 4.20 -1.67 -2.51 115.11 115.04 1cf3 h GLN 118 Ca -0.00 -0.12 -0.16 0.00 0.06 0.00 0.00 58.65 58.43 1cf3 h GLN 118 Cb 0.23 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1cf3 h GLN 118 CO 0.01 0.65 -0.44 0.28 -0.67 0.00 0.00 178.83 178.66 1cf3 h VAL 119 N -0.20 1.28 -0.68 -0.54 2.07 -1.54 -3.08 116.25 113.56 1cf3 h VAL 119 Ca 0.01 -1.62 0.06 0.00 0.82 0.00 0.00 66.70 65.97 1cf3 h VAL 119 Cb 0.62 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1cf3 h VAL 119 CO 0.02 0.53 0.45 0.44 0.02 0.00 0.00 177.57 179.03 1cf3 h ASP 120 N 0.63 0.61 0.35 0.57 3.32 -1.38 -1.79 116.42 118.73 1cf3 h ASP 120 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1cf3 h ASP 120 Cb 1.01 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1cf3 h ASP 120 CO 0.10 0.39 0.00 0.77 -1.72 0.00 0.00 179.24 178.78 1cf3 h SER 121 N 0.69 0.00 0.02 6.45 4.64 -1.35 -1.72 113.55 122.28 1cf3 h SER 121 Ca 0.30 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.57 1cf3 h SER 121 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1cf3 h SER 121 CO -0.09 0.00 -0.11 -0.50 -0.87 0.00 0.00 176.83 175.26 1cf3 h TRP 122 N 0.00 0.22 0.04 4.77 4.06 -1.42 0.91 115.95 124.52 1cf3 h TRP 122 Ca 0.00 -0.02 -0.26 0.00 2.06 0.00 0.00 58.89 60.67 1cf3 h TRP 122 Cb 0.17 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.24 1cf3 h TRP 122 CO 0.00 0.32 -1.41 1.49 -3.56 0.00 0.00 178.44 175.28 1cf3 h GLU 123 N 0.20 0.08 0.06 0.49 4.81 -1.03 -0.83 114.58 118.36 1cf3 h GLU 123 Ca 0.04 -0.14 -0.26 0.00 -0.13 0.00 0.00 59.36 58.88 1cf3 h GLU 123 Cb 0.32 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.76 1cf3 h GLU 123 CO 0.02 1.07 -1.10 1.79 -0.73 0.00 0.00 179.01 180.06 1cf3 h THR 124 N -0.70 1.39 0.02 0.32 1.35 -1.38 -2.43 112.91 111.48 1cf3 h THR 124 Ca -0.35 -2.59 -0.37 0.00 -0.55 0.00 0.00 66.41 62.55 1cf3 h THR 124 Cb 1.50 2.61 -0.05 0.00 -1.73 0.00 0.00 68.15 70.48 1cf3 h THR 124 CO -0.12 0.77 -2.11 0.52 -0.25 0.00 0.00 175.52 174.33 1cf3 n VAL 125 N -3.71 1.57 1.08 6.82 0.31 0.25 -4.51 118.33 120.13 1cf3 n VAL 125 Ca -0.09 -0.38 0.11 0.00 -0.01 0.00 0.00 64.34 63.96 1cf3 n VAL 125 Cb 0.92 -1.79 0.34 0.00 -0.91 0.00 0.00 33.84 32.40 1cf3 n VAL 125 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1cf3 n PHE 126 N -3.94 0.25 -2.28 3.52 3.72 -0.80 -4.96 117.46 112.97 1cf3 n PHE 126 Ca -0.43 -0.13 -0.20 0.00 -0.05 0.00 0.00 57.45 56.64 1cf3 n PHE 126 Cb 0.89 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.41 1cf3 n PHE 126 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cf3 n GLY 127 N 1.19 -0.15 3.41 1.37 0.00 -0.91 -4.14 105.19 105.95 1cf3 n GLY 127 Ca 0.17 -0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.69 1cf3 n GLY 127 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cf3 s ASN 128 N -2.19 6.72 0.06 1.61 0.01 -0.33 -4.87 114.94 115.96 1cf3 s ASN 128 Ca 0.00 -2.37 -0.36 0.00 -0.71 0.00 0.00 52.86 49.43 1cf3 s ASN 128 Cb 0.00 -2.33 -0.15 0.00 0.41 0.00 0.00 41.25 39.18 1cf3 s ASN 128 CO 0.00 -0.85 1.53 -0.62 -1.51 0.00 0.00 177.10 175.65 1cf3 n GLU 129 N 5.47 1.64 0.00 -0.60 1.02 -1.26 -1.79 120.64 125.12 1cf3 n GLU 129 Ca 0.21 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1cf3 n GLU 129 Cb 0.48 -2.31 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 1cf3 n GLU 129 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cf3 n GLY 130 N 3.23 1.00 3.37 0.62 0.00 -1.26 -4.99 105.19 107.15 1cf3 n GLY 130 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 1cf3 n GLY 130 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1cf3 s TRP 131 N -2.25 4.01 0.27 1.61 0.52 -0.74 -4.71 118.94 117.65 1cf3 s TRP 131 Ca 0.00 -2.45 0.03 0.00 0.02 0.00 0.00 56.10 53.70 1cf3 s TRP 131 Cb 0.00 -3.96 -0.06 0.00 -1.15 0.00 0.00 33.47 28.31 1cf3 s TRP 131 CO 0.00 -1.07 0.05 0.54 0.02 0.00 0.00 176.95 176.49 1cf3 s ASN 132 N 1.82 1.80 0.14 2.95 2.20 -1.26 -2.52 114.94 120.07 1cf3 s ASN 132 Ca 0.32 -1.32 -0.23 0.00 -0.94 0.00 0.00 52.86 50.69 1cf3 s ASN 132 Cb -0.08 0.03 -0.00 0.00 -2.00 0.00 0.00 41.25 39.19 1cf3 s ASN 132 CO -0.06 -0.61 1.64 -0.25 -2.94 0.00 0.00 177.10 174.88 1cf3 h TRP 133 N 2.33 -0.55 -0.44 1.54 2.91 -1.81 -0.87 115.95 119.06 1cf3 h TRP 133 Ca -0.39 0.03 0.09 0.00 1.13 0.00 0.00 58.89 59.75 1cf3 h TRP 133 Cb 1.24 0.27 -0.09 0.00 -0.51 0.00 0.00 29.16 30.06 1cf3 h TRP 133 CO 0.54 -0.29 -0.22 -0.44 -1.03 0.00 0.00 178.44 177.00 1cf3 h ASP 134 N -0.26 -0.76 0.01 2.65 3.32 -1.97 0.57 116.42 119.99 1cf3 h ASP 134 Ca 0.11 0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 1cf3 h ASP 134 Cb 0.42 0.40 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1cf3 h ASP 134 CO -0.30 -0.25 -0.01 0.78 -1.72 0.00 0.00 179.24 177.74 1cf3 h ASN 135 N -0.14 -0.02 -0.61 6.45 2.35 -1.78 -2.52 115.58 119.32 1cf3 h ASN 135 Ca 0.21 -0.31 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 1cf3 h ASN 135 Cb 0.46 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 1cf3 h ASN 135 CO -0.52 0.30 0.22 0.58 -1.65 0.00 0.00 177.43 176.36 1cf3 h VAL 136 N -0.33 1.24 -0.82 2.81 2.07 -0.82 -2.35 116.25 118.04 1cf3 h VAL 136 Ca -0.00 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1cf3 h VAL 136 Cb 0.32 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1cf3 h VAL 136 CO 0.00 0.29 0.49 0.00 0.02 0.00 0.00 177.57 178.38 1cf3 h ALA 137 N 1.08 1.33 -0.45 1.67 0.00 0.06 -0.01 119.26 122.94 1cf3 h ALA 137 Ca 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1cf3 h ALA 137 Cb 0.23 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1cf3 h ALA 137 CO -0.01 0.58 0.15 0.00 0.00 0.00 0.00 179.25 179.97 1cf3 h ALA 138 N 1.42 0.59 -0.27 0.00 0.00 -0.98 -0.21 119.26 119.80 1cf3 h ALA 138 Ca 0.29 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1cf3 h ALA 138 Cb -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1cf3 h ALA 138 CO -0.06 0.23 -0.08 1.88 0.00 0.00 0.00 179.25 181.23 1cf3 h TYR 139 N 0.59 0.46 -0.39 0.00 0.05 -1.06 -1.58 116.97 115.04 1cf3 h TYR 139 Ca 0.15 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.84 1cf3 h TYR 139 Cb 0.25 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1cf3 h TYR 139 CO 0.01 0.52 0.12 1.03 -1.05 0.00 0.00 178.16 178.79 1cf3 h SER 140 N 0.42 0.58 -0.70 3.88 0.87 -0.19 -2.18 113.55 116.22 1cf3 h SER 140 Ca 0.08 -0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.39 1cf3 h SER 140 Cb 0.40 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1cf3 h SER 140 CO 0.02 0.63 0.25 -0.07 -0.53 0.00 0.00 176.83 177.14 1cf3 h LEU 141 N 0.49 1.00 -1.00 2.23 3.38 -0.82 -2.64 115.31 117.93 1cf3 h LEU 141 Ca 0.13 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1cf3 h LEU 141 Cb 0.27 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1cf3 h LEU 141 CO -0.00 0.91 0.66 -0.61 0.09 0.00 0.00 178.44 179.48 1cf3 h GLN 142 N 1.04 1.27 -0.09 1.13 4.15 -1.01 -2.41 115.11 119.19 1cf3 h GLN 142 Ca 0.24 -0.08 -0.10 0.00 0.77 0.00 0.00 58.65 59.48 1cf3 h GLN 142 Cb 0.25 -0.29 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1cf3 h GLN 142 CO -0.01 0.84 -0.41 0.00 -1.93 0.00 0.00 178.83 177.32 1cf3 h ALA 143 N 1.39 1.15 -2.63 3.38 0.00 -1.06 -3.34 119.26 118.15 1cf3 h ALA 143 Ca 0.39 -0.40 -0.49 0.00 0.00 0.00 0.00 54.91 54.40 1cf3 h ALA 143 Cb -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1cf3 h ALA 143 CO -0.11 0.58 0.31 -2.00 0.00 0.00 0.00 179.25 178.03 1cf3 s GLU 144 N -4.14 4.68 -0.47 0.00 2.12 -0.91 -0.49 118.70 119.50 1cf3 s GLU 144 Ca -0.04 1.35 0.07 0.00 0.36 0.00 0.00 54.97 56.71 1cf3 s GLU 144 Cb 0.14 -3.08 0.25 0.00 0.26 0.00 0.00 34.13 31.69 1cf3 s GLU 144 CO 0.76 0.44 0.60 -2.13 -0.54 0.00 0.00 175.26 174.39 1cf3 n ARG 145 N 1.13 1.30 -2.79 4.30 0.63 -0.51 -0.40 116.66 120.32 1cf3 n ARG 145 Ca -0.01 -3.69 -0.31 0.00 -0.92 0.00 0.00 57.85 52.92 1cf3 n ARG 145 Cb 0.49 -1.55 -0.04 0.00 0.45 0.00 0.00 32.46 31.81 1cf3 n ARG 145 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1cf3 s ALA 146 N -1.63 3.27 -0.08 5.13 0.00 -0.52 -2.11 121.76 125.83 1cf3 s ALA 146 Ca 0.37 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.32 1cf3 s ALA 146 Cb 0.17 -2.82 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 1cf3 s ALA 146 CO -0.08 -0.01 -0.25 1.03 0.00 0.00 0.00 175.76 176.46 1cf3 s ARG 147 N -3.75 2.76 0.66 0.00 0.52 -0.42 -4.71 118.95 114.01 1cf3 s ARG 147 Ca 0.54 -0.89 -0.14 0.00 -0.52 0.00 0.00 55.73 54.72 1cf3 s ARG 147 Cb -0.10 -2.22 -0.00 0.00 0.52 0.00 0.00 34.95 33.15 1cf3 s ARG 147 CO 0.29 0.30 1.08 0.00 0.02 0.00 0.00 175.30 176.99 1cf3 s ALA 148 N 0.04 2.55 0.61 2.13 0.00 -1.26 -4.60 121.76 121.24 1cf3 s ALA 148 Ca -0.10 0.38 -0.15 0.00 0.00 0.00 0.00 51.96 52.09 1cf3 s ALA 148 Cb -0.16 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1cf3 s ALA 148 CO 0.06 -1.20 1.06 -1.25 0.00 0.00 0.00 175.76 174.42 1cf3 s PRO 149 N -4.38 3.24 0.69 0.00 0.04 -1.26 -4.92 135.00 128.40 1cf3 s PRO 149 Ca 0.63 1.16 0.02 0.00 0.04 0.00 0.00 61.00 62.86 1cf3 s PRO 149 Cb -0.17 -2.02 0.12 0.00 0.04 0.00 0.00 34.50 32.46 1cf3 s PRO 149 CO 0.45 -0.87 0.95 0.54 0.04 0.00 0.00 177.00 178.10 1cf3 s ASN 150 N -2.97 4.51 0.25 6.66 2.20 -1.26 -4.80 114.94 119.53 1cf3 s ASN 150 Ca 0.63 -0.52 -0.03 0.00 -0.94 0.00 0.00 52.86 52.00 1cf3 s ASN 150 Cb -0.16 0.12 0.46 0.00 -2.00 0.00 0.00 41.25 39.67 1cf3 s ASN 150 CO 0.40 -1.75 1.78 0.00 -2.94 0.00 0.00 177.10 174.59 1cf3 h ALA 151 N -0.36 1.21 -0.43 3.54 0.00 -1.99 0.16 119.26 121.40 1cf3 h ALA 151 Ca -0.34 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1cf3 h ALA 151 Cb 1.27 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1cf3 h ALA 151 CO 0.40 -0.01 0.11 -0.22 0.00 0.00 0.00 179.25 179.53 1cf3 h LYS 152 N 0.69 0.67 -0.56 0.00 3.64 -1.98 -1.24 116.57 117.79 1cf3 h LYS 152 Ca 0.43 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.58 1cf3 h LYS 152 Cb 0.51 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1cf3 h LYS 152 CO -0.31 0.68 0.07 1.96 -2.27 0.00 0.00 179.45 179.58 1cf3 h GLN 153 N 0.55 0.94 -0.45 1.90 4.20 -1.68 -1.82 115.11 118.74 1cf3 h GLN 153 Ca 0.13 -0.26 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 1cf3 h GLN 153 Cb 0.30 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1cf3 h GLN 153 CO -0.00 0.91 0.18 0.82 -0.67 0.00 0.00 178.83 180.07 1cf3 h ILE 154 N 0.83 1.21 -0.38 2.54 2.04 -0.62 -2.10 117.51 121.02 1cf3 h ILE 154 Ca 0.17 -0.65 0.03 0.00 1.00 0.00 0.00 64.86 65.41 1cf3 h ILE 154 Cb 0.44 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1cf3 h ILE 154 CO 0.02 0.24 0.25 0.00 0.00 0.00 0.00 178.15 178.66 1cf3 h ALA 155 N 1.02 1.88 0.00 1.87 0.00 -1.06 -1.02 119.26 121.95 1cf3 h ALA 155 Ca 0.15 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1cf3 h ALA 155 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1cf3 h ALA 155 CO -0.01 0.07 -0.50 0.00 0.00 0.00 0.00 179.25 178.81 1cf3 h ALA 156 N 1.78 0.97 0.00 0.00 0.00 -0.69 -3.47 119.26 117.86 1cf3 h ALA 156 Ca 0.16 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1cf3 h ALA 156 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1cf3 h ALA 156 CO -0.04 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.25 1cf3 n GLY 157 N 0.28 -0.43 3.77 0.00 0.00 -0.39 -4.48 105.19 103.94 1cf3 n GLY 157 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1cf3 n GLY 157 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1cf3 s HIS 158 N 0.00 2.78 -0.02 1.61 4.02 -0.89 -4.45 115.29 118.34 1cf3 s HIS 158 Ca 0.00 1.47 0.00 0.00 1.02 0.00 0.00 55.06 57.55 1cf3 s HIS 158 Cb 0.00 -3.56 0.02 0.00 -1.02 0.00 0.00 32.58 28.02 1cf3 s HIS 158 CO 0.00 -1.93 0.01 -0.47 1.02 0.00 0.00 174.74 173.36 1cf3 s TYR 159 N -1.38 0.18 -0.20 1.40 5.04 -1.26 -4.57 117.35 116.55 1cf3 s TYR 159 Ca 0.62 0.04 -0.01 0.00 -2.44 0.00 0.00 57.07 55.28 1cf3 s TYR 159 Cb -0.34 -0.28 0.05 0.00 0.35 0.00 0.00 41.96 41.74 1cf3 s TYR 159 CO 0.43 -0.09 -0.03 0.12 -1.34 0.00 0.00 175.55 174.64 1cf3 s PHE 160 N 0.79 1.85 -0.40 4.97 5.36 -1.26 -4.63 117.98 124.65 1cf3 s PHE 160 Ca -0.07 -1.32 -0.24 0.00 -0.96 0.00 0.00 56.93 54.33 1cf3 s PHE 160 Cb -0.10 -1.36 0.02 0.00 -0.34 0.00 0.00 43.02 41.23 1cf3 s PHE 160 CO -0.02 -0.68 0.85 1.21 -1.46 0.00 0.00 175.22 175.11 1cf3 s ASN 161 N 1.58 6.54 0.56 6.13 3.84 -1.26 -4.94 114.94 127.39 1cf3 s ASN 161 Ca -0.03 0.27 0.26 0.00 0.21 0.00 0.00 52.86 53.57 1cf3 s ASN 161 Cb -0.17 -2.42 1.61 0.00 -0.55 0.00 0.00 41.25 39.72 1cf3 s ASN 161 CO -0.07 -0.86 2.19 0.00 -2.79 0.00 0.00 177.10 175.57 1cf3 h ALA 162 N 8.71 1.59 -0.21 1.71 0.00 -1.99 -1.87 119.26 127.19 1cf3 h ALA 162 Ca -0.24 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1cf3 h ALA 162 Cb 1.08 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1cf3 h ALA 162 CO 0.96 0.04 -0.11 0.77 0.00 0.00 0.00 179.25 180.91 1cf3 h SER 163 N 0.00 0.33 -0.40 0.00 0.02 -2.03 -3.11 113.55 108.36 1cf3 h SER 163 Ca -0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1cf3 h SER 163 Cb 0.07 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1cf3 h SER 163 CO 0.00 0.47 0.00 0.00 -1.14 0.00 0.00 176.83 176.17 1cf3 s HIS 165 N -1.48 0.68 0.22 0.00 3.76 -1.18 -4.69 115.29 112.60 1cf3 s HIS 165 Ca 0.27 -0.26 -0.14 0.00 -0.15 0.00 0.00 55.06 54.78 1cf3 s HIS 165 Cb 0.14 -0.42 -0.08 0.00 1.11 0.00 0.00 32.58 33.33 1cf3 s HIS 165 CO 0.18 -0.03 0.62 0.20 -0.85 0.00 0.00 174.74 174.86 1cf3 s GLY 166 N -0.71 2.41 0.00 -2.22 0.00 -1.26 -4.97 107.32 100.57 1cf3 s GLY 166 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.63 1cf3 s GLY 166 CO 0.00 0.16 0.32 3.33 0.00 0.00 0.00 173.10 176.91 1cf3 n VAL 167 N 0.27 0.00 0.19 1.40 0.24 -1.24 -1.44 118.33 117.74 1cf3 n VAL 167 Ca -0.01 -0.46 0.05 0.00 -2.04 0.00 0.00 64.34 61.87 1cf3 n VAL 167 Cb 0.52 1.05 0.08 0.00 -1.47 0.00 0.00 33.84 34.02 1cf3 n VAL 167 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1cf3 n ASN 168 N -0.29 2.20 -3.31 -1.34 3.02 -1.24 -4.68 115.26 109.62 1cf3 n ASN 168 Ca 0.00 -1.64 0.00 0.00 -0.03 0.00 0.00 54.58 52.91 1cf3 n ASN 168 Cb 0.01 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1cf3 n ASN 168 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cf3 n GLY 169 N 0.48 -0.61 0.05 7.41 0.00 0.46 -4.97 105.19 108.02 1cf3 n GLY 169 Ca 0.07 -1.37 -0.06 0.00 0.00 0.00 0.00 46.02 44.66 1cf3 n GLY 169 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1cf3 n THR 170 N -0.07 0.57 -2.78 2.61 -1.04 -0.26 -4.64 114.28 108.68 1cf3 n THR 170 Ca 0.00 -0.28 -0.43 0.00 -2.04 0.00 0.00 64.05 61.31 1cf3 n THR 170 Cb 0.00 -0.83 -0.04 0.00 -1.82 0.00 0.00 70.33 67.64 1cf3 n THR 170 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1cf3 s VAL 171 N -2.20 4.26 0.08 12.58 1.01 0.35 -4.82 120.40 131.66 1cf3 s VAL 171 Ca -0.10 0.28 -0.31 0.00 0.00 0.00 0.00 61.98 61.85 1cf3 s VAL 171 Cb 0.03 -4.62 -0.11 0.00 0.00 0.00 0.00 36.38 31.68 1cf3 s VAL 171 CO 0.28 -1.27 1.87 1.41 0.00 0.00 0.00 175.10 177.39 1cf3 n HIS 172 N 7.82 2.55 -3.93 5.22 -0.00 -1.26 -1.42 115.22 124.21 1cf3 n HIS 172 Ca 0.02 -0.18 -0.11 0.00 -0.00 0.00 0.00 57.72 57.45 1cf3 n HIS 172 Cb 0.47 -2.74 -0.13 0.00 -0.00 0.00 0.00 29.99 27.60 1cf3 n HIS 172 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1cf3 s ALA 173 N 3.24 0.08 -0.02 -1.41 0.00 -0.90 -2.49 121.76 120.26 1cf3 s ALA 173 Ca 0.85 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 52.30 1cf3 s ALA 173 Cb -0.50 0.04 0.10 0.00 0.00 0.00 0.00 23.12 22.77 1cf3 s ALA 173 CO 0.40 -0.04 1.29 0.20 0.00 0.00 0.00 175.76 177.61 1cf3 s GLY 174 N -0.51 -0.22 0.23 0.00 0.00 -0.42 -1.31 107.32 105.10 1cf3 s GLY 174 Ca -0.05 0.25 -0.30 0.00 0.00 0.00 0.00 44.72 44.62 1cf3 s GLY 174 CO -0.00 3.85 1.42 -4.14 0.00 0.00 0.00 173.10 174.23 1cf3 s PRO 175 N -2.13 4.29 0.25 2.90 0.02 -1.26 0.33 135.00 139.41 1cf3 s PRO 175 Ca 0.25 2.25 -0.30 0.00 0.02 0.00 0.00 61.00 63.22 1cf3 s PRO 175 Cb 0.01 -3.13 -0.09 0.00 0.02 0.00 0.00 34.50 31.31 1cf3 s PRO 175 CO -0.02 -0.40 1.23 0.50 -0.33 0.00 0.00 177.00 177.99 1cf3 s ARG 176 N -0.17 4.46 -0.25 5.54 3.52 -1.26 -4.89 118.95 125.91 1cf3 s ARG 176 Ca 0.60 2.00 -0.02 0.00 -0.13 0.00 0.00 55.73 58.17 1cf3 s ARG 176 Cb -0.41 -3.17 0.12 0.00 -1.56 0.00 0.00 34.95 29.93 1cf3 s ARG 176 CO 0.41 -0.09 0.29 0.34 -0.81 0.00 0.00 175.30 175.44 1cf3 s ASP 177 N -0.21 1.16 0.35 -2.12 -1.08 -1.26 -5.01 116.67 108.50 1cf3 s ASP 177 Ca 0.51 -0.29 0.27 0.00 -0.52 0.00 0.00 52.55 52.51 1cf3 s ASP 177 Cb -0.35 0.63 0.92 0.00 -1.46 0.00 0.00 42.92 42.65 1cf3 s ASP 177 CO 0.42 -0.34 1.78 0.71 0.52 0.00 0.00 175.17 178.26 1cf3 h THR 178 N 6.26 0.00 0.00 1.71 1.35 -1.98 -3.47 112.91 116.78 1cf3 h THR 178 Ca -0.16 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1cf3 h THR 178 Cb 1.13 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1cf3 h THR 178 CO 0.30 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 1cf3 n GLY 179 N 0.55 2.29 3.87 5.82 0.00 -1.26 -5.08 105.19 111.38 1cf3 n GLY 179 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1cf3 n GLY 179 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cf3 n ASP 180 N 0.00 0.91 -4.75 1.61 5.68 -1.26 -5.04 116.55 113.69 1cf3 n ASP 180 Ca 0.00 -1.90 -0.33 0.00 -0.50 0.00 0.00 54.79 52.05 1cf3 n ASP 180 Cb 0.00 -0.78 0.07 0.00 -1.14 0.00 0.00 41.12 39.27 1cf3 n ASP 180 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1cf3 s ASP 181 N -5.34 4.69 0.21 -1.12 1.01 -1.26 -4.81 116.67 110.04 1cf3 s ASP 181 Ca 0.69 2.12 -0.23 0.00 0.71 0.00 0.00 52.55 55.85 1cf3 s ASP 181 Cb -0.03 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.25 1cf3 s ASP 181 CO 0.47 -1.92 0.77 -0.31 0.21 0.00 0.00 175.17 174.39 1cf3 s TYR 182 N -2.25 3.76 0.35 4.23 2.02 -1.26 -1.03 117.35 123.17 1cf3 s TYR 182 Ca 0.69 1.53 -0.27 0.00 -0.37 0.00 0.00 57.07 58.65 1cf3 s TYR 182 Cb -0.23 -2.71 -0.09 0.00 -0.40 0.00 0.00 41.96 38.53 1cf3 s TYR 182 CO 0.44 0.40 1.16 0.45 -1.57 0.00 0.00 175.55 176.43 1cf3 s SER 183 N -1.44 6.81 0.00 2.29 0.15 0.11 -4.67 113.70 116.95 1cf3 s SER 183 Ca 0.41 2.35 0.25 0.00 0.70 0.00 0.00 55.95 59.66 1cf3 s SER 183 Cb -0.19 -2.62 1.25 0.00 -1.71 0.00 0.00 66.02 62.74 1cf3 s SER 183 CO 0.23 -0.48 1.84 -0.81 1.20 0.00 0.00 173.24 175.23 1cf3 n PRO 184 N 0.52 0.31 0.07 5.44 -0.04 -1.26 -3.08 135.00 136.96 1cf3 n PRO 184 Ca 0.02 0.05 0.01 0.00 -0.04 0.00 0.00 63.50 63.55 1cf3 n PRO 184 Cb 0.45 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.77 1cf3 n PRO 184 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1cf3 h ILE 185 N 0.00 1.18 -0.36 0.52 2.04 -1.92 -1.67 117.51 117.30 1cf3 h ILE 185 Ca 0.00 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.10 1cf3 h ILE 185 Cb 0.26 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1cf3 h ILE 185 CO 0.00 0.25 0.22 0.58 0.00 0.00 0.00 178.15 179.20 1cf3 h VAL 186 N 0.33 1.04 -0.04 1.67 2.07 -1.89 0.33 116.25 119.76 1cf3 h VAL 186 Ca 0.07 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 1cf3 h VAL 186 Cb 0.35 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1cf3 h VAL 186 CO 0.02 0.08 -0.46 0.11 0.02 0.00 0.00 177.57 177.34 1cf3 h LYS 187 N 0.44 0.10 -0.45 1.57 1.57 -1.74 -2.37 116.57 115.70 1cf3 h LYS 187 Ca 0.14 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 1cf3 h LYS 187 Cb -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1cf3 h LYS 187 CO -0.06 0.55 -0.16 0.00 -0.57 0.00 0.00 179.45 179.20 1cf3 h ALA 188 N 1.45 0.87 -0.46 3.86 0.00 -0.58 -0.77 119.26 123.63 1cf3 h ALA 188 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1cf3 h ALA 188 Cb 0.85 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1cf3 h ALA 188 CO 0.06 0.64 0.03 1.25 0.00 0.00 0.00 179.25 181.23 1cf3 h LEU 189 N 0.76 0.78 -0.24 0.00 5.85 -0.75 -1.22 115.31 120.49 1cf3 h LEU 189 Ca 0.12 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1cf3 h LEU 189 Cb 0.68 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1cf3 h LEU 189 CO 0.05 0.88 0.11 0.24 -0.34 0.00 0.00 178.44 179.38 1cf3 h MET 190 N 0.66 0.24 -0.82 1.25 2.86 -1.31 -1.15 114.93 116.66 1cf3 h MET 190 Ca 0.13 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1cf3 h MET 190 Cb 0.46 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 1cf3 h MET 190 CO 0.02 0.16 0.53 1.03 1.06 0.00 0.00 176.91 179.70 1cf3 h SER 191 N 0.25 0.95 -0.23 1.22 0.87 -1.00 0.11 113.55 115.72 1cf3 h SER 191 Ca 0.10 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 1cf3 h SER 191 Cb 0.03 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 1cf3 h SER 191 CO -0.07 0.70 -0.07 0.00 -0.53 0.00 0.00 176.83 176.86 1cf3 h ALA 192 N 1.29 1.21 0.00 6.23 0.00 -0.67 -2.21 119.26 125.11 1cf3 h ALA 192 Ca 0.30 -0.26 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 1cf3 h ALA 192 Cb -0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1cf3 h ALA 192 CO -0.06 0.51 -1.07 -0.39 0.00 0.00 0.00 179.25 178.24 1cf3 h VAL 193 N 0.55 1.35 -0.68 0.00 -1.51 -0.77 -3.25 116.25 111.95 1cf3 h VAL 193 Ca 0.11 -3.02 -0.01 0.00 -1.23 0.00 0.00 66.70 62.54 1cf3 h VAL 193 Cb 0.46 2.66 -0.03 0.00 -2.13 0.00 0.00 31.29 32.25 1cf3 h VAL 193 CO 0.02 0.77 0.38 -0.33 -1.23 0.00 0.00 177.57 177.19 1cf3 h GLU 194 N 0.00 0.92 -0.03 5.19 5.08 -0.49 -0.82 114.58 124.44 1cf3 h GLU 194 Ca -0.07 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1cf3 h GLU 194 Cb 1.74 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.80 1cf3 h GLU 194 CO 0.11 0.67 0.03 -0.44 -1.00 0.00 0.00 179.01 178.38 1cf3 h ASP 195 N 0.94 0.00 -0.73 1.42 5.19 -1.44 -1.09 116.42 120.71 1cf3 h ASP 195 Ca 0.24 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 1cf3 h ASP 195 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1cf3 h ASP 195 CO -0.04 0.00 0.00 0.54 -3.12 0.00 0.00 179.24 176.62 1cf3 n ARG 196 N -3.79 2.84 -1.77 3.56 1.74 -0.38 -4.95 116.66 113.91 1cf3 n ARG 196 Ca -0.02 -2.68 -0.02 0.00 -0.77 0.00 0.00 57.85 54.36 1cf3 n ARG 196 Cb 0.12 -1.61 -0.00 0.00 -1.02 0.00 0.00 32.46 29.94 1cf3 n ARG 196 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cf3 n GLY 197 N 1.61 0.35 3.83 -0.13 0.00 -0.41 -5.05 105.19 105.39 1cf3 n GLY 197 Ca 0.25 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 1cf3 n GLY 197 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cf3 s VAL 198 N -2.10 5.40 0.70 1.61 1.01 -0.81 -5.02 120.40 121.19 1cf3 s VAL 198 Ca 0.00 0.33 -0.14 0.00 0.00 0.00 0.00 61.98 62.18 1cf3 s VAL 198 Cb 0.00 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1cf3 s VAL 198 CO 0.00 0.56 1.11 -2.16 0.00 0.00 0.00 175.10 174.61 1cf3 s PRO 199 N -0.65 2.59 0.03 2.72 0.04 -1.26 -3.90 135.00 134.56 1cf3 s PRO 199 Ca 0.15 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1cf3 s PRO 199 Cb -0.13 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 1cf3 s PRO 199 CO 0.04 -1.41 -0.04 0.95 0.04 0.00 0.00 177.00 176.59 1cf3 s THR 200 N -2.50 0.21 0.00 1.26 -4.23 -1.26 -1.68 115.64 107.43 1cf3 s THR 200 Ca 0.65 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 1cf3 s THR 200 Cb -0.20 -0.59 0.00 0.00 1.34 0.00 0.00 72.50 73.05 1cf3 s THR 200 CO 0.46 -0.59 0.00 0.29 -0.54 0.00 0.00 174.62 174.24 1cf3 n LYS 201 N 1.25 -0.47 -1.78 3.99 5.02 -0.29 -4.92 118.16 120.95 1cf3 n LYS 201 Ca -0.22 0.12 -0.40 0.00 -2.02 0.00 0.00 58.31 55.79 1cf3 n LYS 201 Cb 0.56 -3.64 0.02 0.00 -0.02 0.00 0.00 35.03 31.95 1cf3 n LYS 201 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1cf3 s LYS 202 N -0.67 3.69 -0.14 1.97 1.02 -1.26 -4.68 119.74 119.68 1cf3 s LYS 202 Ca 0.00 2.45 -0.29 0.00 0.02 0.00 0.00 55.97 58.14 1cf3 s LYS 202 Cb 0.00 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.62 1cf3 s LYS 202 CO 0.00 -0.82 1.33 0.34 -0.92 0.00 0.00 175.35 175.28 1cf3 s ASP 203 N -0.47 6.90 0.00 2.83 -1.08 -1.26 -4.82 116.67 118.77 1cf3 s ASP 203 Ca 0.61 1.80 0.17 0.00 -0.52 0.00 0.00 52.55 54.61 1cf3 s ASP 203 Cb -0.44 -2.54 1.02 0.00 -1.46 0.00 0.00 42.92 39.50 1cf3 s ASP 203 CO 0.57 -0.78 1.52 0.49 0.52 0.00 0.00 175.17 177.49 1cf3 n PHE 204 N 6.63 0.00 0.63 -5.34 3.72 -1.26 -2.46 117.46 119.37 1cf3 n PHE 204 Ca 0.14 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.66 1cf3 n PHE 204 Cb 0.44 0.00 0.25 0.00 -0.94 0.00 0.00 39.48 39.24 1cf3 n PHE 204 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cf3 n GLY 205 N 0.50 1.26 0.02 1.37 0.00 -1.26 -1.76 105.19 105.32 1cf3 n GLY 205 Ca 0.13 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.62 1cf3 n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cf3 n GLY 207 N 1.41 1.15 2.48 0.00 0.00 -1.26 -4.96 105.19 104.00 1cf3 n GLY 207 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1cf3 n GLY 207 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cf3 n ASP 208 N 0.00 -1.37 -4.55 1.61 2.03 -1.26 -1.50 116.55 111.52 1cf3 n ASP 208 Ca 0.00 -2.64 -0.40 0.00 0.52 0.00 0.00 54.79 52.26 1cf3 n ASP 208 Cb 0.00 0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.61 1cf3 n ASP 208 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1cf3 s PRO 209 N 0.12 3.00 -0.13 -0.67 0.04 -1.26 -4.89 135.00 131.21 1cf3 s PRO 209 Ca 0.32 0.05 -0.13 0.00 0.04 0.00 0.00 61.00 61.28 1cf3 s PRO 209 Cb 0.07 -4.25 0.04 0.00 0.04 0.00 0.00 34.50 30.39 1cf3 s PRO 209 CO -0.15 -2.35 0.38 -1.58 0.04 0.00 0.00 177.00 173.34 1cf3 s HIS 210 N 6.87 -0.40 0.00 0.56 2.46 -1.26 -4.36 115.29 119.15 1cf3 s HIS 210 Ca 0.46 0.97 0.00 0.00 0.47 0.00 0.00 55.06 56.96 1cf3 s HIS 210 Cb -0.10 0.14 0.00 0.00 -0.13 0.00 0.00 32.58 32.50 1cf3 s HIS 210 CO 0.17 -0.22 0.00 0.41 -2.47 0.00 0.00 174.74 172.63 1cf3 n GLY 211 N 2.76 -1.83 3.58 1.59 0.00 -0.39 -4.68 105.19 106.22 1cf3 n GLY 211 Ca -0.14 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 1cf3 n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cf3 s VAL 212 N 0.00 4.88 0.12 1.61 1.01 -0.68 -1.46 120.40 125.88 1cf3 s VAL 212 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 1cf3 s VAL 212 Cb 0.00 -3.26 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 1cf3 s VAL 212 CO 0.00 0.37 0.23 -0.44 0.00 0.00 0.00 175.10 175.26 1cf3 s SER 213 N 1.09 0.08 0.61 3.32 0.01 -0.98 -1.14 113.70 116.68 1cf3 s SER 213 Ca 0.06 -0.72 0.01 0.00 1.31 0.00 0.00 55.95 56.61 1cf3 s SER 213 Cb -0.14 0.38 0.07 0.00 0.21 0.00 0.00 66.02 66.54 1cf3 s SER 213 CO 0.04 -0.79 0.85 -0.04 0.41 0.00 0.00 173.24 173.71 1cf3 s MET 214 N -3.90 2.21 0.18 12.44 -1.94 -1.26 -2.12 119.30 124.90 1cf3 s MET 214 Ca 0.09 -0.99 -0.19 0.00 -1.71 0.00 0.00 55.69 52.90 1cf3 s MET 214 Cb 0.04 -2.45 0.04 0.00 2.01 0.00 0.00 34.83 34.47 1cf3 s MET 214 CO -0.07 -0.99 0.53 -0.59 -0.01 0.00 0.00 175.02 173.89 1cf3 s PHE 215 N -2.89 -0.25 0.94 -0.03 -0.12 -1.26 -4.81 117.98 109.57 1cf3 s PHE 215 Ca 0.61 -0.06 -0.12 0.00 -0.05 0.00 0.00 56.93 57.30 1cf3 s PHE 215 Cb -0.08 0.43 0.15 0.00 -0.63 0.00 0.00 43.02 42.89 1cf3 s PHE 215 CO 0.40 -0.88 1.12 -2.14 -0.05 0.00 0.00 175.22 173.68 1cf3 s PRO 216 N -3.83 0.91 0.09 1.99 0.02 -1.26 -4.65 135.00 128.28 1cf3 s PRO 216 Ca 0.06 0.39 0.02 0.00 0.02 0.00 0.00 61.00 61.50 1cf3 s PRO 216 Cb -0.01 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 1cf3 s PRO 216 CO -0.07 -2.37 -0.08 -0.80 -0.33 0.00 0.00 177.00 173.35 1cf3 s ASN 217 N -3.80 1.22 -0.99 2.53 0.02 0.15 -2.66 114.94 111.41 1cf3 s ASN 217 Ca 0.64 -0.89 -0.22 0.00 -1.02 0.00 0.00 52.86 51.37 1cf3 s ASN 217 Cb -0.16 0.06 0.07 0.00 0.02 0.00 0.00 41.25 41.23 1cf3 s ASN 217 CO 0.55 -0.37 1.37 0.42 0.02 0.00 0.00 177.10 179.09 1cf3 s THR 218 N -2.98 4.10 0.08 1.60 -4.23 -0.20 -1.30 115.64 112.71 1cf3 s THR 218 Ca 0.07 -0.91 -0.23 0.00 -1.18 0.00 0.00 61.69 59.45 1cf3 s THR 218 Cb 0.01 -4.99 0.06 0.00 1.34 0.00 0.00 72.50 68.92 1cf3 s THR 218 CO -0.02 -1.83 0.55 -1.48 -0.54 0.00 0.00 174.62 171.29 1cf3 s LEU 219 N 4.47 -0.26 0.79 4.79 0.05 -1.04 -1.48 118.68 126.00 1cf3 s LEU 219 Ca 0.42 0.13 -0.12 0.00 0.05 0.00 0.00 54.13 54.62 1cf3 s LEU 219 Cb -0.01 2.31 0.07 0.00 -2.05 0.00 0.00 46.19 46.50 1cf3 s LEU 219 CO -0.09 -0.81 1.15 -1.00 -0.55 0.00 0.00 176.35 175.05 1cf3 s HIS 220 N -2.88 3.01 0.48 3.48 3.76 0.10 -3.84 115.29 119.40 1cf3 s HIS 220 Ca -0.03 0.87 0.13 0.00 -0.15 0.00 0.00 55.06 55.88 1cf3 s HIS 220 Cb -0.00 -3.34 1.11 0.00 1.11 0.00 0.00 32.58 31.45 1cf3 s HIS 220 CO -0.05 -1.66 2.11 1.49 -0.85 0.00 0.00 174.74 175.78 1cf3 h GLU 221 N -0.99 0.21 -0.10 1.40 4.81 -1.96 0.15 114.58 118.11 1cf3 h GLU 221 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1cf3 h GLU 221 Cb 1.30 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1cf3 h GLU 221 CO 0.65 0.14 0.00 -0.40 -0.73 0.00 0.00 179.01 178.67 1cf3 n ASP 222 N -4.51 0.10 -0.62 1.04 5.75 -1.26 -4.86 116.55 112.18 1cf3 n ASP 222 Ca -0.00 -1.95 -0.08 0.00 -0.01 0.00 0.00 54.79 52.74 1cf3 n ASP 222 Cb 0.09 -0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.10 1cf3 n ASP 222 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cf3 n GLN 223 N -0.45 -0.63 -3.03 0.11 1.13 0.53 -5.02 117.38 110.03 1cf3 n GLN 223 Ca 0.00 0.76 -0.40 0.00 -1.94 0.00 0.00 57.00 55.42 1cf3 n GLN 223 Cb 0.02 -4.61 -0.05 0.00 0.11 0.00 0.00 30.24 25.71 1cf3 n GLN 223 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1cf3 s VAL 224 N -2.27 4.83 0.06 5.09 1.01 -1.25 -4.59 120.40 123.28 1cf3 s VAL 224 Ca 0.00 1.54 -0.37 0.00 0.00 0.00 0.00 61.98 63.15 1cf3 s VAL 224 Cb 0.00 -4.07 -0.16 0.00 0.00 0.00 0.00 36.38 32.14 1cf3 s VAL 224 CO 0.00 0.35 1.40 -1.14 0.00 0.00 0.00 175.10 175.70 1cf3 n ARG 225 N 3.01 1.24 -2.37 2.72 0.63 -0.37 -0.72 116.66 120.80 1cf3 n ARG 225 Ca -0.03 0.45 -0.43 0.00 -0.92 0.00 0.00 57.85 56.93 1cf3 n ARG 225 Cb 0.51 -2.11 0.00 0.00 0.45 0.00 0.00 32.46 31.31 1cf3 n ARG 225 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1cf3 n SER 226 N 2.85 5.08 -4.86 6.15 7.64 -0.55 -4.82 113.62 125.11 1cf3 n SER 226 Ca 0.19 -3.10 -0.30 0.00 1.01 0.00 0.00 58.87 56.67 1cf3 n SER 226 Cb 0.20 -1.49 0.05 0.00 -1.01 0.00 0.00 64.21 61.95 1cf3 n SER 226 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1cf3 s ASP 227 N 1.04 5.45 0.42 6.43 1.47 -1.26 -4.81 116.67 125.41 1cf3 s ASP 227 Ca 0.40 1.29 0.09 0.00 1.18 0.00 0.00 52.55 55.51 1cf3 s ASP 227 Cb 0.09 -2.15 0.91 0.00 -0.34 0.00 0.00 42.92 41.43 1cf3 s ASP 227 CO 0.00 -1.36 2.06 0.00 0.68 0.00 0.00 175.17 176.55 1cf3 h ALA 228 N -0.66 1.77 -0.23 2.11 0.00 -1.85 -1.33 119.26 119.06 1cf3 h ALA 228 Ca -0.45 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 1cf3 h ALA 228 Cb 1.24 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1cf3 h ALA 228 CO 0.62 0.20 -0.56 0.00 0.00 0.00 0.00 179.25 179.51 1cf3 h ALA 229 N 1.76 0.58 -0.59 0.00 0.00 -1.87 -0.89 119.26 118.24 1cf3 h ALA 229 Ca 0.15 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1cf3 h ALA 229 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1cf3 h ALA 229 CO -0.04 0.69 0.11 -0.09 0.00 0.00 0.00 179.25 179.92 1cf3 h ARG 230 N 0.54 0.97 0.12 0.00 2.43 -1.71 0.11 114.38 116.83 1cf3 h ARG 230 Ca 0.01 -0.25 -0.29 0.00 -0.81 0.00 0.00 59.98 58.63 1cf3 h ARG 230 Cb 1.14 -0.12 0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1cf3 h ARG 230 CO 0.11 0.91 -1.23 0.93 -1.51 0.00 0.00 179.97 179.18 1cf3 h GLU 231 N 0.87 0.57 0.00 0.20 4.39 -1.21 -3.36 114.58 116.04 1cf3 h GLU 231 Ca 0.18 -0.77 -0.09 0.00 0.34 0.00 0.00 59.36 59.03 1cf3 h GLU 231 Cb 0.40 0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1cf3 h GLU 231 CO 0.01 1.34 -1.51 0.91 -1.16 0.00 0.00 179.01 178.60 1cf3 n TRP 232 N -3.76 0.00 -0.12 4.33 7.02 -0.35 -4.73 117.44 119.84 1cf3 n TRP 232 Ca -0.13 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.19 1cf3 n TRP 232 Cb 0.98 -0.33 -0.11 0.00 -2.42 0.00 0.00 31.31 29.43 1cf3 n TRP 232 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 1cf3 n LEU 233 N -2.10 2.93 -0.01 -0.99 7.94 -0.49 -4.37 117.00 119.92 1cf3 n LEU 233 Ca -0.09 -0.13 -0.10 0.00 -1.11 0.00 0.00 56.01 54.59 1cf3 n LEU 233 Cb 0.54 -0.81 -0.05 0.00 0.53 0.00 0.00 43.42 43.64 1cf3 n LEU 233 CO 0.19 0.89 0.85 0.25 -1.11 0.00 0.00 177.39 178.46 1cf3 h LEU 234 N 0.00 -0.10 -1.83 -1.96 5.85 -0.99 -0.44 115.31 115.84 1cf3 h LEU 234 Ca -0.53 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1cf3 h LEU 234 Cb 1.83 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1cf3 h LEU 234 CO -0.08 -0.04 0.00 -0.65 -0.34 0.00 0.00 178.44 177.33 1cf3 h PRO 235 N 0.00 0.00 0.00 5.25 0.11 -1.82 -3.24 132.00 132.29 1cf3 h PRO 235 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1cf3 h PRO 235 Cb 0.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1cf3 h PRO 235 CO -0.12 0.00 -0.01 0.09 -0.21 0.00 0.00 178.00 177.76 1cf3 n ASN 236 N -2.97 2.12 0.24 -2.05 3.02 -0.76 -4.82 115.26 110.03 1cf3 n ASN 236 Ca -0.00 -2.51 0.11 0.00 -0.03 0.00 0.00 54.58 52.15 1cf3 n ASN 236 Cb 0.22 -0.21 0.54 0.00 -0.61 0.00 0.00 39.78 39.72 1cf3 n ASN 236 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1cf3 h TYR 237 N 0.00 0.00 0.00 3.10 -0.00 -1.14 -2.77 116.97 116.16 1cf3 h TYR 237 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1cf3 h TYR 237 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.49 1cf3 h TYR 237 CO 0.00 0.18 0.00 1.96 -0.00 0.00 0.00 178.16 180.30 1cf3 h GLN 238 N 0.00 0.00 -6.19 0.10 4.20 -1.87 -3.45 115.11 107.90 1cf3 h GLN 238 Ca -0.00 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 57.99 1cf3 h GLN 238 Cb 0.63 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.45 1cf3 h GLN 238 CO 0.02 0.00 0.66 0.54 -0.67 0.00 0.00 178.83 179.39 1cf3 n ARG 239 N -2.61 1.07 0.13 1.46 1.74 -1.05 -4.82 116.66 112.57 1cf3 n ARG 239 Ca 0.03 0.39 0.12 0.00 -0.77 0.00 0.00 57.85 57.62 1cf3 n ARG 239 Cb 0.38 -2.04 0.48 0.00 -1.02 0.00 0.00 32.46 30.26 1cf3 n ARG 239 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1cf3 n PRO 240 N 3.92 0.22 0.00 5.56 -0.04 -1.26 -2.40 135.00 140.99 1cf3 n PRO 240 Ca 0.23 0.39 0.13 0.00 -0.04 0.00 0.00 63.50 64.20 1cf3 n PRO 240 Cb 0.15 -1.88 0.29 0.00 -0.04 0.00 0.00 33.50 32.03 1cf3 n PRO 240 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1cf3 n ASN 241 N -2.28 2.10 -4.37 3.54 6.94 -1.26 -4.78 115.26 115.15 1cf3 n ASN 241 Ca 0.03 -1.64 -0.39 0.00 -0.02 0.00 0.00 54.58 52.56 1cf3 n ASN 241 Cb 0.28 0.06 -0.12 0.00 -2.36 0.00 0.00 39.78 37.63 1cf3 n ASN 241 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1cf3 s LEU 242 N -2.09 4.25 -0.06 -4.53 2.96 -1.01 -0.57 118.68 117.63 1cf3 s LEU 242 Ca 0.31 -0.80 0.05 0.00 -0.22 0.00 0.00 54.13 53.47 1cf3 s LEU 242 Cb 0.20 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 1cf3 s LEU 242 CO 0.36 -0.27 -0.21 -1.10 -1.32 0.00 0.00 176.35 173.82 1cf3 s GLN 243 N 1.54 2.56 -0.14 1.98 -1.52 0.02 -4.85 119.66 119.25 1cf3 s GLN 243 Ca 0.02 -0.82 -0.00 0.00 -1.95 0.00 0.00 55.36 52.61 1cf3 s GLN 243 Cb -0.18 -2.26 0.03 0.00 -0.22 0.00 0.00 33.01 30.38 1cf3 s GLN 243 CO 0.05 0.46 -0.09 0.08 -0.25 0.00 0.00 175.29 175.55 1cf3 s VAL 244 N -0.35 1.21 -0.21 1.09 1.01 -1.26 -0.71 120.40 121.17 1cf3 s VAL 244 Ca 0.02 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 1cf3 s VAL 244 Cb -0.12 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 1cf3 s VAL 244 CO 0.02 0.31 0.12 -0.22 0.00 0.00 0.00 175.10 175.34 1cf3 s LEU 245 N 1.62 4.06 0.28 3.92 2.96 0.22 -0.87 118.68 130.87 1cf3 s LEU 245 Ca 0.03 0.14 0.10 0.00 -0.22 0.00 0.00 54.13 54.18 1cf3 s LEU 245 Cb -0.14 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 1cf3 s LEU 245 CO -0.09 0.13 -0.06 0.42 -1.32 0.00 0.00 176.35 175.43 1cf3 s THR 246 N 0.67 3.09 -0.37 3.68 -4.23 -0.28 -1.08 115.64 117.11 1cf3 s THR 246 Ca 0.07 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1cf3 s THR 246 Cb -0.12 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1cf3 s THR 246 CO 0.01 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.33 1cf3 n GLY 247 N -0.82 0.65 3.07 3.99 0.00 -0.34 -4.65 105.19 107.09 1cf3 n GLY 247 Ca -0.06 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 1cf3 n GLY 247 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cf3 s GLN 248 N -2.28 0.66 -0.16 1.61 -1.52 -1.08 -4.93 119.66 111.97 1cf3 s GLN 248 Ca 0.00 -0.63 -0.10 0.00 -1.95 0.00 0.00 55.36 52.67 1cf3 s GLN 248 Cb 0.00 -0.57 -0.05 0.00 -0.22 0.00 0.00 33.01 32.17 1cf3 s GLN 248 CO 0.00 0.13 0.19 0.71 -0.25 0.00 0.00 175.29 176.07 1cf3 s TYR 249 N -0.89 3.49 -0.12 0.91 1.51 -0.36 -2.85 117.35 119.04 1cf3 s TYR 249 Ca -0.03 0.49 -0.29 0.00 -1.01 0.00 0.00 57.07 56.22 1cf3 s TYR 249 Cb -0.07 -2.16 -0.02 0.00 -0.11 0.00 0.00 41.96 39.60 1cf3 s TYR 249 CO 0.01 0.42 1.25 0.08 -1.11 0.00 0.00 175.55 176.19 1cf3 s VAL 250 N -0.06 4.25 -0.18 0.71 1.01 -1.26 -0.81 120.40 124.06 1cf3 s VAL 250 Ca 0.13 1.54 -0.10 0.00 0.00 0.00 0.00 61.98 63.55 1cf3 s VAL 250 Cb -0.12 -3.99 -0.21 0.00 0.00 0.00 0.00 36.38 32.05 1cf3 s VAL 250 CO 0.02 -0.09 0.14 0.61 0.00 0.00 0.00 175.10 175.79 1cf3 n GLY 251 N 3.53 -0.58 3.76 4.51 0.00 0.16 -4.98 105.19 111.59 1cf3 n GLY 251 Ca 0.13 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1cf3 n GLY 251 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cf3 s LYS 252 N -2.50 1.68 -0.06 1.61 -2.85 -1.17 -4.73 119.74 111.72 1cf3 s LYS 252 Ca -0.28 -0.96 -0.14 0.00 -1.00 0.00 0.00 55.97 53.59 1cf3 s LYS 252 Cb 0.08 0.59 -0.05 0.00 -2.06 0.00 0.00 37.83 36.38 1cf3 s LYS 252 CO 0.66 -0.76 0.36 0.08 0.10 0.00 0.00 175.35 175.80 1cf3 s VAL 253 N -3.91 5.16 -0.20 1.79 1.01 -1.26 -1.89 120.40 121.10 1cf3 s VAL 253 Ca 0.11 0.72 -0.23 0.00 0.00 0.00 0.00 61.98 62.58 1cf3 s VAL 253 Cb -0.04 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1cf3 s VAL 253 CO 0.04 0.52 0.71 -0.76 0.00 0.00 0.00 175.10 175.62 1cf3 s LEU 254 N -0.59 4.14 -0.09 3.92 1.43 0.23 -4.81 118.68 122.91 1cf3 s LEU 254 Ca 0.22 0.95 0.03 0.00 -1.03 0.00 0.00 54.13 54.30 1cf3 s LEU 254 Cb -0.15 -3.03 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 1cf3 s LEU 254 CO 0.10 -0.34 -0.20 -0.76 0.23 0.00 0.00 176.35 175.37 1cf3 s LEU 255 N 2.12 2.32 -0.15 1.79 1.43 -1.26 -0.94 118.68 123.98 1cf3 s LEU 255 Ca 0.32 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.86 1cf3 s LEU 255 Cb -0.16 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 1cf3 s LEU 255 CO 0.11 0.20 0.23 -0.55 0.23 0.00 0.00 176.35 176.57 1cf3 s SER 256 N 0.10 6.39 -0.30 2.29 0.15 0.27 -4.91 113.70 117.69 1cf3 s SER 256 Ca -0.09 0.46 0.09 0.00 0.70 0.00 0.00 55.95 57.10 1cf3 s SER 256 Cb -0.16 -2.14 0.52 0.00 -1.71 0.00 0.00 66.02 62.54 1cf3 s SER 256 CO 0.06 0.19 1.51 0.00 1.20 0.00 0.00 173.24 176.20 1cf3 n GLN 257 N 3.15 1.96 -1.99 5.44 6.02 -1.26 -1.81 117.38 128.89 1cf3 n GLN 257 Ca -0.15 -3.15 -0.37 0.00 -0.01 0.00 0.00 57.00 53.33 1cf3 n GLN 257 Cb 0.52 -1.85 0.03 0.00 1.02 0.00 0.00 30.24 29.97 1cf3 n GLN 257 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1cf3 n ASN 258 N -1.08 6.94 -0.99 1.08 5.15 -1.26 -4.92 115.26 120.18 1cf3 n ASN 258 Ca 0.35 -3.81 0.00 0.00 -0.60 0.00 0.00 54.58 50.52 1cf3 n ASN 258 Cb 1.09 -0.93 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 1cf3 n ASN 258 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cf3 n GLY 259 N -0.56 2.22 0.10 8.20 0.00 -1.26 -5.06 105.19 108.83 1cf3 n GLY 259 Ca 0.52 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 1cf3 n GLY 259 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1cf3 h THR 260 N 0.99 1.47 -3.52 2.61 2.02 -1.98 -3.44 112.91 111.06 1cf3 h THR 260 Ca 0.00 -1.62 -0.67 0.00 0.77 0.00 0.00 66.41 64.89 1cf3 h THR 260 Cb 0.00 2.43 -0.22 0.00 -1.74 0.00 0.00 68.15 68.63 1cf3 h THR 260 CO 0.00 0.45 -0.71 -0.89 0.37 0.00 0.00 175.52 174.74 1cf3 s THR 261 N -3.64 3.57 0.41 3.16 2.01 -1.26 -5.10 115.64 114.80 1cf3 s THR 261 Ca -0.16 -0.50 -0.26 0.00 0.31 0.00 0.00 61.69 61.08 1cf3 s THR 261 Cb 0.02 -2.50 -0.10 0.00 0.01 0.00 0.00 72.50 69.93 1cf3 s THR 261 CO 0.73 0.55 1.32 -2.65 -0.69 0.00 0.00 174.62 173.88 1cf3 n PRO 262 N 2.86 2.07 -4.75 4.92 -0.02 -1.26 -4.79 135.00 134.03 1cf3 n PRO 262 Ca -0.18 0.73 -0.25 0.00 -2.02 0.00 0.00 63.50 61.79 1cf3 n PRO 262 Cb 0.53 -2.44 -0.16 0.00 -0.02 0.00 0.00 33.50 31.41 1cf3 n PRO 262 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1cf3 s ARG 263 N -2.20 1.64 -0.18 -0.52 3.52 -0.75 -0.73 118.95 119.73 1cf3 s ARG 263 Ca 0.60 -0.55 -0.29 0.00 -0.13 0.00 0.00 55.73 55.35 1cf3 s ARG 263 Cb -0.50 -1.43 -0.00 0.00 -1.56 0.00 0.00 34.95 31.45 1cf3 s ARG 263 CO 0.59 0.21 1.11 0.00 -0.81 0.00 0.00 175.30 176.40 1cf3 s ALA 264 N 0.08 3.62 -0.58 6.12 0.00 -0.42 -0.57 121.76 130.02 1cf3 s ALA 264 Ca -0.04 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.32 1cf3 s ALA 264 Cb -0.11 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 1cf3 s ALA 264 CO 0.02 -1.00 0.46 1.33 0.00 0.00 0.00 175.76 176.57 1cf3 n VAL 265 N 5.16 0.00 -3.43 0.00 0.24 -0.12 -4.75 118.33 115.43 1cf3 n VAL 265 Ca 0.12 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1cf3 n VAL 265 Cb 0.46 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 1cf3 n VAL 265 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cf3 n GLY 266 N 0.99 -1.02 3.09 7.63 0.00 -1.23 0.09 105.19 114.74 1cf3 n GLY 266 Ca 0.03 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 1cf3 n GLY 266 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1cf3 s VAL 267 N -3.00 0.36 -0.18 1.61 -7.23 -0.06 -0.60 120.40 111.31 1cf3 s VAL 267 Ca 0.00 -1.63 -0.06 0.00 -1.81 0.00 0.00 61.98 58.49 1cf3 s VAL 267 Cb 0.00 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.63 1cf3 s VAL 267 CO 0.00 -0.82 0.02 -0.70 -0.31 0.00 0.00 175.10 173.28 1cf3 s GLU 268 N -3.27 3.79 0.21 4.82 2.12 -0.79 -1.89 118.70 123.69 1cf3 s GLU 268 Ca 0.03 -0.44 0.05 0.00 0.36 0.00 0.00 54.97 54.97 1cf3 s GLU 268 Cb 0.03 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.28 1cf3 s GLU 268 CO -0.06 0.20 -0.07 -0.59 -0.54 0.00 0.00 175.26 174.20 1cf3 s PHE 269 N 0.52 1.59 -3.27 5.30 -0.71 0.52 -0.66 117.98 121.26 1cf3 s PHE 269 Ca 0.00 -0.76 0.00 0.00 -1.04 0.00 0.00 56.93 55.13 1cf3 s PHE 269 Cb -0.14 -0.85 0.00 0.00 -1.21 0.00 0.00 43.02 40.82 1cf3 s PHE 269 CO 0.02 0.14 0.00 0.41 -1.34 0.00 0.00 175.22 174.45 1cf3 n GLY 270 N -0.38 -1.25 0.00 1.99 0.00 0.01 -0.45 105.19 105.10 1cf3 n GLY 270 Ca -0.07 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1cf3 n GLY 270 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cf3 n THR 271 N 5.89 0.00 -3.47 2.61 -2.24 -1.18 -1.22 114.28 114.67 1cf3 n THR 271 Ca 0.00 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1cf3 n THR 271 Cb 0.00 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 1cf3 n THR 271 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1cf3 s HIS 272 N -1.26 -0.49 0.34 4.78 5.65 -1.26 -4.94 115.29 118.11 1cf3 s HIS 272 Ca 0.00 0.35 0.08 0.00 0.25 0.00 0.00 55.06 55.73 1cf3 s HIS 272 Cb 0.00 0.48 0.77 0.00 -1.18 0.00 0.00 32.58 32.66 1cf3 s HIS 272 CO 0.00 -0.79 1.85 1.57 -0.65 0.00 0.00 174.74 176.72 1cf3 h LYS 273 N 2.21 0.72 -0.02 2.88 2.10 -1.98 0.66 116.57 123.14 1cf3 h LYS 273 Ca -0.33 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1cf3 h LYS 273 Cb 1.28 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1cf3 h LYS 273 CO 0.40 0.48 0.00 0.41 -2.00 0.00 0.00 179.45 178.73 1cf3 n GLY 274 N -1.41 -0.58 2.31 0.07 0.00 -1.26 -4.47 105.19 99.85 1cf3 n GLY 274 Ca 0.18 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1cf3 n GLY 274 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1cf3 n ASN 275 N -0.50 0.96 -4.36 1.61 4.05 0.23 -5.10 115.26 112.14 1cf3 n ASN 275 Ca 0.21 -2.82 -0.27 0.00 0.45 0.00 0.00 54.58 52.14 1cf3 n ASN 275 Cb 0.20 -0.64 -0.13 0.00 1.23 0.00 0.00 39.78 40.44 1cf3 n ASN 275 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1cf3 s THR 276 N -1.25 2.11 0.07 -0.44 -4.23 -1.26 -3.08 115.64 107.57 1cf3 s THR 276 Ca 0.35 -1.72 0.02 0.00 -1.18 0.00 0.00 61.69 59.16 1cf3 s THR 276 Cb 0.13 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.05 1cf3 s THR 276 CO -0.11 0.03 -0.07 -1.00 -0.54 0.00 0.00 174.62 172.93 1cf3 s HIS 277 N -1.13 0.79 0.06 3.99 3.76 0.40 -4.98 115.29 118.18 1cf3 s HIS 277 Ca 0.12 -0.73 0.07 0.00 -0.15 0.00 0.00 55.06 54.38 1cf3 s HIS 277 Cb -0.10 -0.47 -0.03 0.00 1.11 0.00 0.00 32.58 33.09 1cf3 s HIS 277 CO 0.06 -0.12 -0.18 -0.80 -0.85 0.00 0.00 174.74 172.85 1cf3 s ASN 278 N -2.37 3.84 -0.01 1.40 0.01 -1.26 -0.35 114.94 116.20 1cf3 s ASN 278 Ca 0.02 -0.45 -0.01 0.00 -0.71 0.00 0.00 52.86 51.71 1cf3 s ASN 278 Cb -0.02 -0.61 0.00 0.00 0.41 0.00 0.00 41.25 41.04 1cf3 s ASN 278 CO -0.02 0.24 0.03 -0.69 -1.51 0.00 0.00 177.10 175.14 1cf3 s VAL 279 N -0.98 -0.00 0.11 1.60 1.01 -0.79 -1.12 120.40 120.22 1cf3 s VAL 279 Ca 0.16 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.20 1cf3 s VAL 279 Cb -0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 36.19 1cf3 s VAL 279 CO 0.07 0.00 0.01 -0.31 0.00 0.00 0.00 175.10 174.87 1cf3 s TYR 280 N 0.05 2.97 -0.11 5.22 2.02 -0.92 -0.88 117.35 125.70 1cf3 s TYR 280 Ca -0.00 -0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.68 1cf3 s TYR 280 Cb -0.01 -1.50 0.00 0.00 -0.40 0.00 0.00 41.96 40.06 1cf3 s TYR 280 CO -0.00 0.49 -0.23 0.00 -1.57 0.00 0.00 175.55 174.24 1cf3 s ALA 281 N -1.42 2.21 0.12 3.71 0.00 0.11 -1.39 121.76 125.10 1cf3 s ALA 281 Ca 0.26 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.11 1cf3 s ALA 281 Cb -0.11 -0.88 -0.11 0.00 0.00 0.00 0.00 23.12 22.03 1cf3 s ALA 281 CO 0.19 0.20 1.36 -0.22 0.00 0.00 0.00 175.76 177.28 1cf3 h LYS 282 N 6.89 0.80 0.00 0.00 3.64 -0.90 -3.43 116.57 123.56 1cf3 h LYS 282 Ca -0.23 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 58.56 1cf3 h LYS 282 Cb 1.22 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1cf3 h LYS 282 CO 0.50 1.21 0.00 0.72 -2.27 0.00 0.00 179.45 179.60 1cf3 n HIS 283 N -3.96 0.00 -3.80 1.91 8.25 -0.17 -5.05 115.22 112.40 1cf3 n HIS 283 Ca -0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.30 1cf3 n HIS 283 Cb 0.70 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.74 1cf3 n HIS 283 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1cf3 s GLU 284 N -0.58 0.82 -0.22 -0.41 2.02 -1.12 -4.69 118.70 114.53 1cf3 s GLU 284 Ca 0.00 -0.72 -0.07 0.00 0.02 0.00 0.00 54.97 54.20 1cf3 s GLU 284 Cb 0.00 0.35 -0.03 0.00 0.10 0.00 0.00 34.13 34.54 1cf3 s GLU 284 CO 0.00 -0.27 0.06 0.08 0.02 0.00 0.00 175.26 175.15 1cf3 s VAL 285 N -3.17 4.45 -0.21 2.63 1.01 -0.10 -2.26 120.40 122.75 1cf3 s VAL 285 Ca -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1cf3 s VAL 285 Cb 0.01 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1cf3 s VAL 285 CO -0.07 0.40 -0.06 -0.76 0.00 0.00 0.00 175.10 174.60 1cf3 s LEU 286 N 1.04 2.80 -0.18 3.92 1.43 0.58 -1.92 118.68 126.35 1cf3 s LEU 286 Ca 0.04 -0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 52.53 1cf3 s LEU 286 Cb -0.14 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1cf3 s LEU 286 CO 0.03 -0.01 0.55 -0.76 0.23 0.00 0.00 176.35 176.38 1cf3 s LEU 287 N 1.42 4.17 -0.28 1.79 1.43 0.42 -1.06 118.68 126.57 1cf3 s LEU 287 Ca 0.05 0.76 0.21 0.00 -1.03 0.00 0.00 54.13 54.12 1cf3 s LEU 287 Cb -0.14 -2.77 0.49 0.00 0.03 0.00 0.00 46.19 43.80 1cf3 s LEU 287 CO -0.04 -0.17 1.16 0.00 0.23 0.00 0.00 176.35 177.53 1cf3 n ALA 288 N 4.62 2.67 1.59 4.21 0.00 0.05 -1.27 120.51 132.38 1cf3 n ALA 288 Ca -0.04 -2.51 0.15 0.00 0.00 0.00 0.00 53.44 51.03 1cf3 n ALA 288 Cb 0.50 -0.88 0.66 0.00 0.00 0.00 0.00 19.45 19.74 1cf3 n ALA 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cf3 n ALA 289 N -0.70 2.70 0.00 0.00 0.00 -0.98 -4.47 120.51 117.06 1cf3 n ALA 289 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1cf3 n ALA 289 Cb 0.81 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1cf3 n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cf3 n GLY 290 N 1.17 2.63 0.29 0.00 0.00 -1.26 -4.43 105.19 103.59 1cf3 n GLY 290 Ca 0.18 -1.89 0.16 0.00 0.00 0.00 0.00 46.02 44.47 1cf3 n GLY 290 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1cf3 h SER 291 N 0.00 0.00 1.28 1.61 4.64 -1.85 0.01 113.55 119.24 1cf3 h SER 291 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cf3 h SER 291 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1cf3 h SER 291 CO 0.00 0.06 -0.33 0.00 -0.87 0.00 0.00 176.83 175.69 1cf3 h ALA 292 N 1.94 0.79 0.00 5.18 0.00 -1.90 -3.42 119.26 121.85 1cf3 h ALA 292 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1cf3 h ALA 292 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1cf3 h ALA 292 CO 0.01 0.00 -1.44 0.28 0.00 0.00 0.00 179.25 178.10 1cf3 n VAL 293 N -2.37 0.43 -0.26 0.00 0.31 -0.55 -4.60 118.33 111.29 1cf3 n VAL 293 Ca 0.04 -0.13 0.05 0.00 -0.01 0.00 0.00 64.34 64.29 1cf3 n VAL 293 Cb 0.46 -1.26 0.16 0.00 -0.91 0.00 0.00 33.84 32.29 1cf3 n VAL 293 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1cf3 h SER 294 N -0.17 -0.41 -0.82 4.52 0.02 -1.27 0.09 113.55 115.50 1cf3 h SER 294 Ca -0.19 0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1cf3 h SER 294 Cb 1.21 0.37 -0.05 0.00 0.14 0.00 0.00 62.40 64.08 1cf3 h SER 294 CO -0.08 -0.20 0.53 1.55 -1.14 0.00 0.00 176.83 177.49 1cf3 h PRO 295 N 0.08 1.03 -0.13 3.45 0.13 -1.81 -2.02 132.00 132.73 1cf3 h PRO 295 Ca 0.42 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.45 1cf3 h PRO 295 Cb 0.73 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 1cf3 h PRO 295 CO -0.70 0.68 -0.11 1.79 -0.23 0.00 0.00 178.00 179.43 1cf3 h THR 296 N 1.06 1.15 -0.46 1.56 1.35 -1.26 -1.57 112.91 114.74 1cf3 h THR 296 Ca 0.32 -0.67 -0.05 0.00 -0.55 0.00 0.00 66.41 65.45 1cf3 h THR 296 Cb -0.05 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 1cf3 h THR 296 CO -0.09 0.21 0.09 0.40 -0.25 0.00 0.00 175.52 175.88 1cf3 h ILE 297 N 0.19 1.24 -0.17 6.82 2.04 -0.63 0.37 117.51 127.37 1cf3 h ILE 297 Ca 0.04 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.06 1cf3 h ILE 297 Cb 0.32 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1cf3 h ILE 297 CO 0.02 0.31 0.02 -0.07 0.00 0.00 0.00 178.15 178.42 1cf3 h LEU 298 N 0.62 -0.02 -0.91 1.44 3.38 -1.14 -2.42 115.31 116.26 1cf3 h LEU 298 Ca 0.14 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1cf3 h LEU 298 Cb 0.36 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1cf3 h LEU 298 CO 0.01 0.01 0.54 -0.33 0.09 0.00 0.00 178.44 178.76 1cf3 h GLU 299 N 0.08 1.24 -0.21 1.13 5.08 -0.96 -1.12 114.58 119.83 1cf3 h GLU 299 Ca 0.08 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1cf3 h GLU 299 Cb 0.08 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1cf3 h GLU 299 CO -0.11 0.87 0.10 1.88 -1.00 0.00 0.00 179.01 180.75 1cf3 h TYR 300 N 1.26 0.27 -0.02 4.33 0.05 -0.74 -2.35 116.97 119.76 1cf3 h TYR 300 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.11 1cf3 h TYR 300 Cb -0.04 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.61 1cf3 h TYR 300 CO 0.00 0.21 0.00 0.43 -1.05 0.00 0.00 178.16 177.75 1cf3 n SER 301 N -4.47 0.84 0.00 3.88 7.64 -0.65 -4.93 113.62 115.94 1cf3 n SER 301 Ca 0.00 -1.33 0.00 0.00 1.01 0.00 0.00 58.87 58.56 1cf3 n SER 301 Cb 0.11 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1cf3 n SER 301 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cf3 n GLY 302 N 1.08 0.67 3.13 0.23 0.00 -0.88 -4.81 105.19 104.60 1cf3 n GLY 302 Ca 0.20 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1cf3 n GLY 302 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cf3 s ILE 303 N -2.00 2.99 -3.76 -0.61 1.01 -0.52 0.20 121.20 118.51 1cf3 s ILE 303 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 60.65 58.89 1cf3 s ILE 303 Cb 0.00 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.56 1cf3 s ILE 303 CO 0.00 -0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.16 1cf3 n GLY 304 N 4.56 -1.12 3.73 6.18 0.00 -0.63 -2.59 105.19 115.32 1cf3 n GLY 304 Ca -0.07 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 1cf3 n GLY 304 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1cf3 s MET 305 N -1.50 4.61 0.30 1.61 -1.94 -0.97 -2.57 119.30 118.84 1cf3 s MET 305 Ca 0.00 1.65 -0.01 0.00 -1.71 0.00 0.00 55.69 55.63 1cf3 s MET 305 Cb 0.00 -3.30 0.46 0.00 2.01 0.00 0.00 34.83 33.99 1cf3 s MET 305 CO 0.00 0.10 1.90 -0.22 -0.01 0.00 0.00 175.02 176.79 1cf3 h LYS 306 N 5.28 0.89 0.00 2.03 3.64 -1.92 -0.63 116.57 125.86 1cf3 h LYS 306 Ca -0.44 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 58.80 1cf3 h LYS 306 Cb 1.21 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1cf3 h LYS 306 CO 0.73 0.70 -0.09 0.66 -2.27 0.00 0.00 179.45 179.18 1cf3 h SER 307 N 0.89 0.00 0.07 4.20 4.64 -2.01 0.47 113.55 121.81 1cf3 h SER 307 Ca 0.22 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.32 1cf3 h SER 307 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1cf3 h SER 307 CO -0.03 0.09 -1.14 0.40 -0.87 0.00 0.00 176.83 175.29 1cf3 h ILE 308 N 0.00 1.13 0.05 0.95 1.08 -1.58 -3.42 117.51 115.72 1cf3 h ILE 308 Ca -0.00 -2.33 -0.26 0.00 -0.39 0.00 0.00 64.86 61.88 1cf3 h ILE 308 Cb 0.26 2.70 0.01 0.00 -3.07 0.00 0.00 36.82 36.72 1cf3 h ILE 308 CO 0.01 0.58 -1.08 -0.07 -0.69 0.00 0.00 178.15 176.91 1cf3 h LEU 309 N -0.60 0.69 0.05 1.44 3.38 -0.86 -3.37 115.31 116.04 1cf3 h LEU 309 Ca -0.27 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1cf3 h LEU 309 Cb 1.51 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1cf3 h LEU 309 CO -0.02 1.41 -0.06 -0.08 0.09 0.00 0.00 178.44 179.78 1cf3 h GLU 310 N 0.26 -0.12 0.00 1.13 4.81 -1.03 -1.52 114.58 118.11 1cf3 h GLU 310 Ca -0.13 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1cf3 h GLU 310 Cb 1.74 0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.14 1cf3 h GLU 310 CO 0.20 -0.08 0.05 -1.35 -0.73 0.00 0.00 179.01 177.10 1cf3 h PRO 311 N -0.13 0.00 -0.01 0.92 0.11 -1.80 0.19 132.00 131.29 1cf3 h PRO 311 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1cf3 h PRO 311 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1cf3 h PRO 311 CO -0.02 0.00 -0.19 1.28 -0.21 0.00 0.00 178.00 178.85 1cf3 n LEU 312 N -2.94 1.29 -0.09 2.35 4.77 -0.61 -4.94 117.00 116.82 1cf3 n LEU 312 Ca -0.03 -0.38 -0.01 0.00 -0.03 0.00 0.00 56.01 55.56 1cf3 n LEU 312 Cb 0.11 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1cf3 n LEU 312 CO 0.18 0.23 -0.01 0.61 -1.33 0.00 0.00 177.39 177.07 1cf3 n GLY 313 N 1.30 0.39 3.42 -0.72 0.00 0.06 -4.46 105.19 105.17 1cf3 n GLY 313 Ca 0.14 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 1cf3 n GLY 313 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cf3 s ILE 314 N -2.09 3.27 -0.21 -0.61 1.01 -0.97 -5.05 121.20 116.56 1cf3 s ILE 314 Ca 0.00 -0.59 -0.27 0.00 0.00 0.00 0.00 60.65 59.80 1cf3 s ILE 314 Cb -0.00 -2.38 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 1cf3 s ILE 314 CO 0.00 0.53 0.91 -0.62 0.00 0.00 0.00 174.94 175.76 1cf3 s ASP 315 N 0.19 6.98 -0.36 3.58 2.15 -1.26 -3.94 116.67 124.02 1cf3 s ASP 315 Ca -0.06 1.22 -0.29 0.00 0.43 0.00 0.00 52.55 53.85 1cf3 s ASP 315 Cb -0.15 -2.48 -0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1cf3 s ASP 315 CO 0.04 -0.53 1.50 -0.89 -0.17 0.00 0.00 175.17 175.13 1cf3 s THR 316 N 2.69 3.82 -0.16 1.71 2.01 -1.26 -4.49 115.64 119.96 1cf3 s THR 316 Ca 0.40 0.86 -0.26 0.00 0.31 0.00 0.00 61.69 62.99 1cf3 s THR 316 Cb -0.16 -4.02 -0.24 0.00 0.01 0.00 0.00 72.50 68.09 1cf3 s THR 316 CO 0.09 -0.60 0.60 0.58 -0.69 0.00 0.00 174.62 174.61 1cf3 h VAL 317 N 6.44 1.51 -3.24 3.82 2.07 -0.57 -3.46 116.25 122.83 1cf3 h VAL 317 Ca -0.29 -2.30 -0.55 0.00 0.82 0.00 0.00 66.70 64.37 1cf3 h VAL 317 Cb 1.12 3.03 -0.36 0.00 -1.52 0.00 0.00 31.29 33.57 1cf3 h VAL 317 CO 1.06 0.52 -0.82 -0.69 0.02 0.00 0.00 177.57 177.66 1cf3 s VAL 318 N -2.27 1.25 -0.47 2.57 1.01 -1.00 -5.04 120.40 116.44 1cf3 s VAL 318 Ca -0.22 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.06 1cf3 s VAL 318 Cb -0.00 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.22 1cf3 s VAL 318 CO 0.66 0.40 0.81 -0.62 0.00 0.00 0.00 175.10 176.35 1cf3 s ASP 319 N 1.30 6.39 0.08 3.32 -1.08 -1.26 -1.60 116.67 123.83 1cf3 s ASP 319 Ca -0.01 -0.18 0.02 0.00 -0.52 0.00 0.00 52.55 51.85 1cf3 s ASP 319 Cb -0.14 -2.39 -0.04 0.00 -1.46 0.00 0.00 42.92 38.89 1cf3 s ASP 319 CO -0.05 -0.98 -0.07 -0.76 0.52 0.00 0.00 175.17 173.84 1cf3 s LEU 320 N 3.40 2.44 -0.91 -1.34 1.43 -1.06 -4.92 118.68 117.72 1cf3 s LEU 320 Ca 0.30 -0.88 -0.08 0.00 -1.03 0.00 0.00 54.13 52.43 1cf3 s LEU 320 Cb -0.12 -0.09 -0.16 0.00 0.03 0.00 0.00 46.19 45.85 1cf3 s LEU 320 CO 0.22 -0.40 3.23 -0.81 0.23 0.00 0.00 176.35 178.82 1cf3 n PRO 321 N 0.37 2.98 -2.25 1.29 -0.04 -1.26 -2.30 135.00 133.79 1cf3 n PRO 321 Ca -0.15 -1.73 -0.41 0.00 -0.04 0.00 0.00 63.50 61.17 1cf3 n PRO 321 Cb 0.59 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 1cf3 n PRO 321 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1cf3 s VAL 322 N 1.49 3.08 0.00 0.52 1.01 -1.26 -3.38 120.40 121.86 1cf3 s VAL 322 Ca 0.68 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.68 1cf3 s VAL 322 Cb 0.24 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1cf3 s VAL 322 CO -0.04 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1cf3 n GLY 323 N 1.38 1.03 4.00 4.51 0.00 0.33 -4.77 105.19 111.67 1cf3 n GLY 323 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1cf3 n GLY 323 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cf3 s LEU 324 N 0.00 3.23 -0.90 0.99 1.43 -1.22 -1.22 118.68 120.99 1cf3 s LEU 324 Ca 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1cf3 s LEU 324 Cb 0.00 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1cf3 s LEU 324 CO 0.00 -1.31 0.00 -3.20 0.23 0.00 0.00 176.35 172.07 1cf3 n ASN 325 N -2.35 -3.82 -4.69 2.29 5.15 -0.21 -3.93 115.26 107.70 1cf3 n ASN 325 Ca 0.12 0.16 -0.42 0.00 -0.60 0.00 0.00 54.58 53.84 1cf3 n ASN 325 Cb 0.60 -2.36 -0.03 0.00 -0.53 0.00 0.00 39.78 37.46 1cf3 n ASN 325 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1cf3 s LEU 326 N -2.16 4.35 -0.22 1.20 2.96 -0.65 -4.42 118.68 119.74 1cf3 s LEU 326 Ca 0.00 2.36 0.01 0.00 -0.22 0.00 0.00 54.13 56.28 1cf3 s LEU 326 Cb 0.00 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 43.18 1cf3 s LEU 326 CO 0.00 -0.85 -0.08 -1.10 -1.32 0.00 0.00 176.35 173.00 1cf3 s GLN 327 N 2.70 1.90 0.17 1.98 -0.21 -0.42 -0.84 119.66 124.94 1cf3 s GLN 327 Ca 0.71 -0.98 0.06 0.00 0.02 0.00 0.00 55.36 55.17 1cf3 s GLN 327 Cb -0.37 -2.56 -0.04 0.00 1.00 0.00 0.00 33.01 31.03 1cf3 s GLN 327 CO 0.30 -0.52 -0.12 0.34 -2.12 0.00 0.00 175.29 173.17 1cf3 s ASP 328 N 1.35 2.14 0.34 5.90 2.15 -1.26 -1.92 116.67 125.36 1cf3 s ASP 328 Ca -0.04 -1.00 0.07 0.00 0.43 0.00 0.00 52.55 52.01 1cf3 s ASP 328 Cb -0.18 -0.07 -0.01 0.00 -0.30 0.00 0.00 42.92 42.36 1cf3 s ASP 328 CO -0.07 -0.25 0.44 -1.10 -0.17 0.00 0.00 175.17 174.02 1cf3 s GLN 329 N -3.59 2.99 -0.06 4.34 -0.21 -1.26 -4.84 119.66 117.02 1cf3 s GLN 329 Ca 0.18 -1.11 0.01 0.00 0.02 0.00 0.00 55.36 54.46 1cf3 s GLN 329 Cb 0.00 -2.73 -0.03 0.00 1.00 0.00 0.00 33.01 31.26 1cf3 s GLN 329 CO 0.03 0.03 -0.06 0.95 -2.12 0.00 0.00 175.29 174.13 1cf3 s THR 330 N -2.23 3.76 -0.04 -0.19 -4.23 -1.26 -1.24 115.64 110.21 1cf3 s THR 330 Ca 0.45 -0.49 0.07 0.00 -1.18 0.00 0.00 61.69 60.54 1cf3 s THR 330 Cb -0.09 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.19 1cf3 s THR 330 CO 0.30 0.58 -0.24 -0.89 -0.54 0.00 0.00 174.62 173.83 1cf3 s THR 331 N -0.84 1.96 0.17 3.99 2.01 0.83 -3.94 115.64 119.82 1cf3 s THR 331 Ca 0.13 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 61.13 1cf3 s THR 331 Cb -0.11 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.71 1cf3 s THR 331 CO 0.02 0.55 -0.06 0.00 -0.69 0.00 0.00 174.62 174.44 1cf3 s ALA 332 N -0.32 1.49 0.01 7.40 0.00 -0.56 -0.85 121.76 128.92 1cf3 s ALA 332 Ca 0.02 -1.57 0.07 0.00 0.00 0.00 0.00 51.96 50.48 1cf3 s ALA 332 Cb -0.12 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1cf3 s ALA 332 CO 0.02 -0.18 -0.22 0.99 0.00 0.00 0.00 175.76 176.37 1cf3 s THR 333 N -3.42 1.75 -0.10 0.00 2.01 -1.26 -0.46 115.64 114.16 1cf3 s THR 333 Ca 0.20 -1.05 -0.00 0.00 0.31 0.00 0.00 61.69 61.16 1cf3 s THR 333 Cb 0.04 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 71.10 1cf3 s THR 333 CO 0.03 0.40 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.60 1cf3 s VAL 334 N -0.61 0.95 -0.01 3.82 1.01 -0.35 -4.36 120.40 120.84 1cf3 s VAL 334 Ca 0.08 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1cf3 s VAL 334 Cb -0.09 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 1cf3 s VAL 334 CO 0.00 0.35 -0.07 -0.60 0.00 0.00 0.00 175.10 174.78 1cf3 s ARG 335 N 1.53 0.67 0.06 2.72 3.52 0.15 0.16 118.95 127.75 1cf3 s ARG 335 Ca 0.01 -0.24 0.04 0.00 -0.13 0.00 0.00 55.73 55.41 1cf3 s ARG 335 Cb -0.13 -0.65 -0.03 0.00 -1.56 0.00 0.00 34.95 32.58 1cf3 s ARG 335 CO -0.06 0.12 -0.12 -1.12 -0.81 0.00 0.00 175.30 173.32 1cf3 s SER 336 N 0.03 1.35 0.42 -2.12 0.01 -0.21 -0.03 113.70 113.14 1cf3 s SER 336 Ca -0.00 -0.56 -0.22 0.00 1.31 0.00 0.00 55.95 56.48 1cf3 s SER 336 Cb -0.05 -0.02 -0.11 0.00 0.21 0.00 0.00 66.02 66.05 1cf3 s SER 336 CO -0.00 -0.11 0.96 -0.60 0.41 0.00 0.00 173.24 173.90 1cf3 s ARG 337 N -1.58 4.25 0.32 12.44 3.52 0.16 -1.65 118.95 136.41 1cf3 s ARG 337 Ca -0.04 1.17 0.07 0.00 -0.13 0.00 0.00 55.73 56.80 1cf3 s ARG 337 Cb -0.10 -2.27 -0.06 0.00 -1.56 0.00 0.00 34.95 30.96 1cf3 s ARG 337 CO 0.01 -0.01 -0.04 0.96 -0.81 0.00 0.00 175.30 175.41 1cf3 s ILE 338 N -2.08 1.73 0.79 4.11 -4.36 -1.26 0.03 121.20 120.17 1cf3 s ILE 338 Ca 0.61 -2.10 -0.11 0.00 -0.26 0.00 0.00 60.65 58.78 1cf3 s ILE 338 Cb -0.11 -2.62 0.08 0.00 1.25 0.00 0.00 42.46 41.06 1cf3 s ILE 338 CO 0.15 -0.19 1.15 0.42 0.24 0.00 0.00 174.94 176.71 1cf3 s THR 339 N -2.94 2.09 0.46 8.37 -4.23 -0.65 -4.75 115.64 113.98 1cf3 s THR 339 Ca 0.32 -0.02 0.14 0.00 -1.18 0.00 0.00 61.69 60.95 1cf3 s THR 339 Cb 0.05 -3.02 0.21 0.00 1.34 0.00 0.00 72.50 71.08 1cf3 s THR 339 CO 0.14 -0.02 2.03 0.28 -0.54 0.00 0.00 174.62 176.51 1cf3 h SER 340 N -0.98 0.04 -0.21 3.99 0.02 -1.98 -1.93 113.55 112.50 1cf3 h SER 340 Ca -0.46 -0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.55 1cf3 h SER 340 Cb 1.33 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 1cf3 h SER 340 CO 0.65 0.16 0.17 0.00 -1.14 0.00 0.00 176.83 176.66 1cf3 h ALA 341 N 1.85 2.07 -0.01 3.77 0.00 -1.97 -1.54 119.26 123.43 1cf3 h ALA 341 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cf3 h ALA 341 Cb 0.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1cf3 h ALA 341 CO 0.02 -0.27 -0.01 0.41 0.00 0.00 0.00 179.25 179.39 1cf3 n GLY 342 N -1.52 -0.57 3.52 0.00 0.00 -0.72 -4.74 105.19 101.16 1cf3 n GLY 342 Ca 0.02 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 1cf3 n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cf3 n ALA 343 N -0.49 -1.30 0.00 4.61 0.00 -0.58 -4.47 120.51 118.27 1cf3 n ALA 343 Ca 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1cf3 n ALA 343 Cb 0.23 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1cf3 n ALA 343 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cf3 n GLY 344 N 1.30 3.40 3.94 0.00 0.00 -1.26 -4.20 105.19 108.37 1cf3 n GLY 344 Ca 0.10 -1.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 1cf3 n GLY 344 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1cf3 s GLN 345 N -2.57 1.45 0.00 1.61 -2.07 -0.20 -1.56 119.66 116.32 1cf3 s GLN 345 Ca 0.00 -0.40 0.00 0.00 -1.82 0.00 0.00 55.36 53.14 1cf3 s GLN 345 Cb 0.00 -2.03 0.00 0.00 -1.09 0.00 0.00 33.01 29.89 1cf3 s GLN 345 CO 0.00 -1.80 0.00 0.41 -1.32 0.00 0.00 175.29 172.58 1cf3 n GLY 346 N -3.31 4.35 3.27 2.60 0.00 -1.26 0.08 105.19 110.92 1cf3 n GLY 346 Ca 0.12 -1.16 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 1cf3 n GLY 346 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cf3 s GLN 347 N -4.98 1.08 0.24 1.61 -0.21 -1.26 -2.07 119.66 114.07 1cf3 s GLN 347 Ca 0.00 -1.16 -0.15 0.00 0.02 0.00 0.00 55.36 54.07 1cf3 s GLN 347 Cb 0.00 -1.24 0.00 0.00 1.00 0.00 0.00 33.01 32.77 1cf3 s GLN 347 CO 0.00 0.28 0.52 0.00 -2.12 0.00 0.00 175.29 173.96 1cf3 s ALA 348 N -1.37 -0.51 -0.04 6.09 0.00 -0.92 -4.63 121.76 120.38 1cf3 s ALA 348 Ca 0.06 -0.67 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 1cf3 s ALA 348 Cb -0.09 0.98 0.02 0.00 0.00 0.00 0.00 23.12 24.03 1cf3 s ALA 348 CO 0.04 -0.87 0.23 0.00 0.00 0.00 0.00 175.76 175.16 1cf3 s ALA 349 N -3.97 -0.56 -0.36 0.00 0.00 -0.90 0.47 121.76 116.44 1cf3 s ALA 349 Ca 0.18 0.31 -0.10 0.00 0.00 0.00 0.00 51.96 52.35 1cf3 s ALA 349 Cb -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.03 1cf3 s ALA 349 CO 0.06 -0.19 0.18 -0.46 0.00 0.00 0.00 175.76 175.36 1cf3 s TRP 350 N -0.79 3.23 -0.54 0.00 -0.11 0.11 -2.33 118.94 118.52 1cf3 s TRP 350 Ca -0.09 -0.95 -0.23 0.00 1.22 0.00 0.00 56.10 56.06 1cf3 s TRP 350 Cb -0.05 -2.40 0.05 0.00 -1.50 0.00 0.00 33.47 29.57 1cf3 s TRP 350 CO 0.02 -0.62 0.88 -0.06 -4.62 0.00 0.00 176.95 172.54 1cf3 s PHE 351 N 1.55 2.84 -0.12 5.86 0.40 -0.54 -1.21 117.98 126.77 1cf3 s PHE 351 Ca 0.02 -0.13 -0.05 0.00 -0.60 0.00 0.00 56.93 56.16 1cf3 s PHE 351 Cb -0.19 -3.97 -0.04 0.00 0.51 0.00 0.00 43.02 39.34 1cf3 s PHE 351 CO 0.06 -1.29 0.08 0.00 0.70 0.00 0.00 175.22 174.77 1cf3 s ALA 352 N 3.67 3.61 0.90 5.36 0.00 -0.30 -1.26 121.76 133.75 1cf3 s ALA 352 Ca 0.27 -0.71 -0.12 0.00 0.00 0.00 0.00 51.96 51.40 1cf3 s ALA 352 Cb -0.14 -1.81 0.13 0.00 0.00 0.00 0.00 23.12 21.30 1cf3 s ALA 352 CO 0.18 0.53 1.14 0.95 0.00 0.00 0.00 175.76 178.56 1cf3 s THR 353 N -0.75 2.00 0.16 0.00 -4.23 -1.26 0.65 115.64 112.21 1cf3 s THR 353 Ca 0.13 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.43 1cf3 s THR 353 Cb -0.12 -2.78 0.06 0.00 1.34 0.00 0.00 72.50 71.00 1cf3 s THR 353 CO 0.03 0.00 1.64 0.15 -0.54 0.00 0.00 174.62 175.90 1cf3 h PHE 354 N -1.45 -0.50 -0.08 3.99 3.57 -1.92 0.78 116.94 121.33 1cf3 h PHE 354 Ca -0.50 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 60.93 1cf3 h PHE 354 Cb 1.33 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 40.33 1cf3 h PHE 354 CO 0.26 -0.27 -0.44 -0.91 -2.23 0.00 0.00 178.31 174.71 1cf3 h ASN 355 N -0.16 0.20 -0.33 0.41 4.21 -1.94 -1.72 115.58 116.25 1cf3 h ASN 355 Ca 0.16 -0.09 -0.09 0.00 1.21 0.00 0.00 56.30 57.49 1cf3 h ASN 355 Cb 0.41 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.54 1cf3 h ASN 355 CO -0.41 0.62 -0.11 -0.33 -1.29 0.00 0.00 177.43 175.91 1cf3 h GLU 356 N 0.15 0.76 0.13 0.81 5.08 -1.76 0.01 114.58 119.76 1cf3 h GLU 356 Ca 0.01 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1cf3 h GLU 356 Cb 0.85 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1cf3 h GLU 356 CO 0.07 0.84 -0.06 1.15 -1.00 0.00 0.00 179.01 180.00 1cf3 h THR 357 N 0.69 1.04 0.00 1.13 2.02 -0.61 -3.28 112.91 113.89 1cf3 h THR 357 Ca 0.12 -0.97 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 1cf3 h THR 357 Cb 0.58 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 1cf3 h THR 357 CO 0.04 0.22 -0.28 -0.26 0.37 0.00 0.00 175.52 175.61 1cf3 h PHE 358 N -0.66 0.00 0.00 3.16 0.04 -1.35 -3.40 116.94 114.74 1cf3 h PHE 358 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1cf3 h PHE 358 Cb 0.50 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 1cf3 h PHE 358 CO 0.07 0.28 0.00 0.41 -0.60 0.00 0.00 178.31 178.47 1cf3 n GLY 359 N 0.97 3.48 0.00 -1.45 0.00 -0.01 -1.53 105.19 106.66 1cf3 n GLY 359 Ca 0.02 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1cf3 n GLY 359 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cf3 n ASP 360 N 4.63 0.02 -0.41 1.61 8.00 -1.26 -0.84 116.55 128.30 1cf3 n ASP 360 Ca 0.00 0.51 0.12 0.00 0.71 0.00 0.00 54.79 56.13 1cf3 n ASP 360 Cb 0.00 -0.51 0.50 0.00 -0.02 0.00 0.00 41.12 41.09 1cf3 n ASP 360 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1cf3 n TYR 361 N -1.52 0.09 -0.13 1.24 4.02 -0.58 -4.46 117.16 115.83 1cf3 n TYR 361 Ca 0.02 -0.05 -0.05 0.00 -0.01 0.00 0.00 57.90 57.81 1cf3 n TYR 361 Cb 0.09 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.44 1cf3 n TYR 361 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1cf3 h SER 362 N 1.78 0.11 -0.56 7.72 0.02 -1.11 -1.30 113.55 120.22 1cf3 h SER 362 Ca 0.00 0.05 0.07 0.00 -0.84 0.00 0.00 61.79 61.07 1cf3 h SER 362 Cb 0.39 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.92 1cf3 h SER 362 CO 0.00 0.10 0.25 -0.33 -1.14 0.00 0.00 176.83 175.71 1cf3 h GLU 363 N 0.28 0.46 -0.42 3.45 4.39 -1.83 0.91 114.58 121.81 1cf3 h GLU 363 Ca 0.20 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.80 1cf3 h GLU 363 Cb 0.20 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1cf3 h GLU 363 CO -0.22 0.30 -0.01 0.87 -1.16 0.00 0.00 179.01 178.79 1cf3 h LYS 364 N 0.47 0.76 -0.78 2.33 1.57 -1.80 -1.68 116.57 117.44 1cf3 h LYS 364 Ca 0.26 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1cf3 h LYS 364 Cb 0.24 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1cf3 h LYS 364 CO -0.22 0.84 0.33 0.00 -0.57 0.00 0.00 179.45 179.83 1cf3 h ALA 365 N 0.89 1.01 -0.31 3.86 0.00 -0.86 -1.80 119.26 122.05 1cf3 h ALA 365 Ca 0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1cf3 h ALA 365 Cb 0.51 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1cf3 h ALA 365 CO 0.02 0.62 0.03 0.45 0.00 0.00 0.00 179.25 180.38 1cf3 h HIS 366 N 1.12 0.47 -0.46 0.00 3.86 -0.64 -2.06 115.15 117.45 1cf3 h HIS 366 Ca 0.26 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1cf3 h HIS 366 Cb 0.19 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 1cf3 h HIS 366 CO 0.02 0.45 0.27 1.49 0.86 0.00 0.00 177.93 181.02 1cf3 h GLU 367 N 0.46 0.63 -0.22 2.45 4.81 -0.46 -1.55 114.58 120.70 1cf3 h GLU 367 Ca 0.10 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1cf3 h GLU 367 Cb 0.25 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1cf3 h GLU 367 CO 0.00 0.47 0.08 -0.07 -0.73 0.00 0.00 179.01 178.77 1cf3 h LEU 368 N 0.61 0.32 -0.88 1.64 3.38 -1.03 -2.49 115.31 116.85 1cf3 h LEU 368 Ca 0.16 -0.18 0.12 0.00 0.09 0.00 0.00 57.88 58.07 1cf3 h LEU 368 Cb 0.01 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.60 1cf3 h LEU 368 CO -0.03 0.42 0.50 0.25 0.09 0.00 0.00 178.44 179.66 1cf3 h LEU 369 N 0.20 0.68 -0.46 1.67 5.85 -1.13 -2.08 115.31 120.04 1cf3 h LEU 369 Ca 0.07 0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 1cf3 h LEU 369 Cb 0.21 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1cf3 h LEU 369 CO -0.00 0.34 -0.70 0.78 -0.34 0.00 0.00 178.44 178.52 1cf3 h ASN 370 N 0.77 0.00 0.00 1.25 2.35 -1.14 -3.41 115.58 115.40 1cf3 h ASN 370 Ca 0.45 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.18 1cf3 h ASN 370 Cb 0.52 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 1cf3 h ASN 370 CO -0.30 0.70 -1.49 0.35 -1.65 0.00 0.00 177.43 175.04 1cf3 n THR 371 N -3.55 0.08 0.33 2.81 -2.24 -0.94 -4.71 114.28 106.04 1cf3 n THR 371 Ca -0.00 -0.25 0.10 0.00 -2.27 0.00 0.00 64.05 61.62 1cf3 n THR 371 Cb 0.72 0.15 0.16 0.00 -2.10 0.00 0.00 70.33 69.26 1cf3 n THR 371 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1cf3 n LYS 372 N -1.91 2.15 -0.30 -0.78 4.76 -0.82 -4.70 118.16 116.55 1cf3 n LYS 372 Ca -0.03 -1.99 0.08 0.00 -2.87 0.00 0.00 58.31 53.49 1cf3 n LYS 372 Cb 0.33 -1.41 0.23 0.00 -1.84 0.00 0.00 35.03 32.34 1cf3 n LYS 372 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1cf3 h LEU 373 N 3.66 0.58 -0.14 -0.35 3.38 -1.78 0.14 115.31 120.80 1cf3 h LEU 373 Ca 0.00 0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1cf3 h LEU 373 Cb 0.84 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1cf3 h LEU 373 CO 0.00 0.25 -0.40 -0.08 0.09 0.00 0.00 178.44 178.30 1cf3 h GLU 374 N 0.66 0.52 -0.38 1.13 4.22 -1.97 -1.11 114.58 117.66 1cf3 h GLU 374 Ca 0.47 -0.37 0.01 0.00 0.08 0.00 0.00 59.36 59.55 1cf3 h GLU 374 Cb 0.66 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1cf3 h GLU 374 CO -0.35 0.99 0.24 0.37 -2.18 0.00 0.00 179.01 178.08 1cf3 h GLN 375 N 0.15 0.48 -0.95 1.92 4.15 -1.73 -1.06 115.11 118.06 1cf3 h GLN 375 Ca -0.01 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.39 1cf3 h GLN 375 Cb 1.01 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.55 1cf3 h GLN 375 CO 0.09 0.32 0.63 -1.49 -1.93 0.00 0.00 178.83 176.44 1cf3 h TRP 376 N 0.49 1.20 -0.54 3.99 6.55 -0.72 -1.30 115.95 125.61 1cf3 h TRP 376 Ca 0.15 0.03 -0.12 0.00 0.95 0.00 0.00 58.89 59.90 1cf3 h TRP 376 Cb -0.03 -0.41 -0.02 0.00 -0.86 0.00 0.00 29.16 27.85 1cf3 h TRP 376 CO -0.06 0.76 -0.11 0.00 -1.05 0.00 0.00 178.44 177.97 1cf3 h ALA 377 N 1.35 0.75 -0.53 1.49 0.00 -0.67 -2.05 119.26 119.60 1cf3 h ALA 377 Ca 0.35 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1cf3 h ALA 377 Cb -0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1cf3 h ALA 377 CO -0.08 0.67 0.30 0.93 0.00 0.00 0.00 179.25 181.07 1cf3 h GLU 378 N 0.91 0.72 -0.61 0.00 5.08 -0.78 -2.07 114.58 117.83 1cf3 h GLU 378 Ca 0.14 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1cf3 h GLU 378 Cb 0.68 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1cf3 h GLU 378 CO 0.05 0.54 0.24 0.93 -1.00 0.00 0.00 179.01 179.77 1cf3 h GLU 379 N 0.70 0.92 -0.48 2.33 5.08 -1.08 -1.57 114.58 120.47 1cf3 h GLU 379 Ca 0.19 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1cf3 h GLU 379 Cb 0.02 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1cf3 h GLU 379 CO -0.03 0.79 0.01 0.00 -1.00 0.00 0.00 179.01 178.77 1cf3 h ALA 380 N 1.09 1.10 -0.49 3.43 0.00 -1.26 -2.25 119.26 120.88 1cf3 h ALA 380 Ca 0.20 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1cf3 h ALA 380 Cb 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1cf3 h ALA 380 CO -0.02 0.57 -0.04 0.28 0.00 0.00 0.00 179.25 180.04 1cf3 h VAL 381 N 0.75 1.27 0.00 0.00 2.07 -1.23 -1.82 116.25 117.28 1cf3 h VAL 381 Ca 0.15 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 1cf3 h VAL 381 Cb 0.44 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1cf3 h VAL 381 CO 0.02 0.40 -0.11 0.00 0.02 0.00 0.00 177.57 177.90 1cf3 h ALA 382 N 0.92 1.62 -0.00 1.67 0.00 -1.00 -1.85 119.26 120.62 1cf3 h ALA 382 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1cf3 h ALA 382 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1cf3 h ALA 382 CO 0.03 0.14 -0.04 0.54 0.00 0.00 0.00 179.25 179.92 1cf3 n ARG 383 N -4.12 1.00 -0.78 0.00 1.74 -0.87 -4.94 116.66 108.69 1cf3 n ARG 383 Ca -0.02 -0.31 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 1cf3 n ARG 383 Cb 0.19 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1cf3 n ARG 383 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cf3 n GLY 384 N 1.16 0.59 0.17 -0.13 0.00 -0.69 -4.93 105.19 101.36 1cf3 n GLY 384 Ca 0.19 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1cf3 n GLY 384 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1cf3 h GLY 385 N 0.00 0.00 -2.67 -0.02 0.00 -1.50 -3.42 103.07 95.45 1cf3 h GLY 385 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1cf3 h GLY 385 CO 0.00 0.00 0.28 -0.12 0.00 0.00 0.00 176.54 176.70 1cf3 s PHE 386 N -3.16 -0.36 -0.19 5.60 5.36 -1.25 -1.04 117.98 122.93 1cf3 s PHE 386 Ca 0.09 0.08 0.07 0.00 -0.96 0.00 0.00 56.93 56.20 1cf3 s PHE 386 Cb 0.08 0.61 -0.09 0.00 -0.34 0.00 0.00 43.02 43.28 1cf3 s PHE 386 CO 0.64 -0.93 0.24 -2.39 -1.46 0.00 0.00 175.22 171.32 1cf3 n HIS 387 N -0.40 0.00 -3.98 10.12 1.44 -1.26 -4.42 115.22 116.72 1cf3 n HIS 387 Ca -0.11 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.29 1cf3 n HIS 387 Cb 0.62 -0.07 -0.16 0.00 0.12 0.00 0.00 29.99 30.51 1cf3 n HIS 387 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1cf3 s ASN 388 N -2.16 3.89 0.24 4.39 3.84 -1.26 -5.02 114.94 118.85 1cf3 s ASN 388 Ca 0.00 -1.16 -0.06 0.00 0.21 0.00 0.00 52.86 51.85 1cf3 s ASN 388 Cb 0.05 -1.28 0.27 0.00 -0.55 0.00 0.00 41.25 39.74 1cf3 s ASN 388 CO 0.29 -0.20 1.89 0.71 -2.79 0.00 0.00 177.10 177.00 1cf3 h THR 389 N 6.63 1.16 -0.21 -5.21 1.35 -1.92 -2.28 112.91 112.43 1cf3 h THR 389 Ca -0.20 -0.40 -0.01 0.00 -0.55 0.00 0.00 66.41 65.25 1cf3 h THR 389 Cb 1.07 -0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.39 1cf3 h THR 389 CO 0.44 0.21 0.10 0.74 -0.25 0.00 0.00 175.52 176.76 1cf3 h THR 390 N 1.15 1.14 -0.47 6.82 2.02 -1.97 -0.91 112.91 120.69 1cf3 h THR 390 Ca 0.36 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1cf3 h THR 390 Cb -0.02 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1cf3 h THR 390 CO -0.11 0.13 0.12 0.00 0.37 0.00 0.00 175.52 176.03 1cf3 h ALA 391 N 0.96 1.32 -0.51 6.16 0.00 -1.86 -2.44 119.26 122.89 1cf3 h ALA 391 Ca 0.07 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1cf3 h ALA 391 Cb 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1cf3 h ALA 391 CO -0.01 0.48 -0.15 1.25 0.00 0.00 0.00 179.25 180.82 1cf3 h LEU 392 N 0.69 1.01 -1.07 0.00 5.85 -1.20 -2.79 115.31 117.80 1cf3 h LEU 392 Ca 0.16 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.61 1cf3 h LEU 392 Cb 0.25 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 1cf3 h LEU 392 CO -0.00 1.14 0.62 0.25 -0.34 0.00 0.00 178.44 180.11 1cf3 h LEU 393 N 0.88 0.95 -0.65 2.25 5.85 -0.79 -1.08 115.31 122.72 1cf3 h LEU 393 Ca 0.13 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1cf3 h LEU 393 Cb 0.71 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1cf3 h LEU 393 CO 0.05 0.58 0.42 0.40 -0.34 0.00 0.00 178.44 179.55 1cf3 h ILE 394 N 1.06 1.18 -0.91 4.05 2.04 -1.22 0.14 117.51 123.85 1cf3 h ILE 394 Ca 0.44 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.98 1cf3 h ILE 394 Cb 0.29 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 1cf3 h ILE 394 CO -0.19 0.17 0.60 1.56 0.00 0.00 0.00 178.15 180.29 1cf3 h GLN 395 N 0.88 1.15 -0.49 2.37 4.20 -0.98 -1.66 115.11 120.59 1cf3 h GLN 395 Ca 0.24 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.75 1cf3 h GLN 395 Cb -0.08 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.43 1cf3 h GLN 395 CO -0.05 0.76 -0.21 1.88 -0.67 0.00 0.00 178.83 180.55 1cf3 h TYR 396 N 1.19 1.13 -0.50 2.96 0.05 -0.34 -1.75 116.97 119.71 1cf3 h TYR 396 Ca 0.35 -0.27 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 1cf3 h TYR 396 Cb -0.07 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.38 1cf3 h TYR 396 CO -0.01 1.09 0.18 0.93 -1.05 0.00 0.00 178.16 179.31 1cf3 h GLU 397 N 0.86 0.72 -0.42 4.88 5.08 -0.54 0.13 114.58 125.28 1cf3 h GLU 397 Ca 0.11 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1cf3 h GLU 397 Cb 0.78 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1cf3 h GLU 397 CO 0.06 0.61 0.22 -0.97 -1.00 0.00 0.00 179.01 177.94 1cf3 h ASN 398 N 0.72 0.53 -0.67 1.42 -1.24 -1.00 -0.08 115.58 115.27 1cf3 h ASN 398 Ca 0.17 -0.10 -0.08 0.00 0.71 0.00 0.00 56.30 57.00 1cf3 h ASN 398 Cb 0.17 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.06 1cf3 h ASN 398 CO -0.01 0.48 0.09 1.88 -1.29 0.00 0.00 177.43 178.58 1cf3 h TYR 399 N 0.55 1.19 -0.53 0.67 -1.99 -0.73 -1.46 116.97 114.67 1cf3 h TYR 399 Ca 0.15 -0.17 -0.00 0.00 2.00 0.00 0.00 58.73 60.70 1cf3 h TYR 399 Cb 0.07 -0.32 -0.03 0.00 2.00 0.00 0.00 36.73 38.45 1cf3 h TYR 399 CO -0.02 1.00 0.32 -0.09 -0.00 0.00 0.00 178.16 179.37 1cf3 h ARG 400 N 1.04 0.72 -0.37 4.88 2.43 -0.37 -2.12 114.38 120.59 1cf3 h ARG 400 Ca 0.20 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.38 1cf3 h ARG 400 Cb 0.46 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.79 1cf3 h ARG 400 CO 0.02 0.52 -0.09 0.22 -1.51 0.00 0.00 179.97 179.13 1cf3 h ASP 401 N 0.72 -0.33 -0.87 -3.80 3.58 -0.71 0.39 116.42 115.39 1cf3 h ASP 401 Ca 0.19 0.11 0.10 0.00 0.42 0.00 0.00 57.03 57.85 1cf3 h ASP 401 Cb -0.02 0.23 -0.08 0.00 1.72 0.00 0.00 39.33 41.18 1cf3 h ASP 401 CO -0.04 -0.12 0.51 -0.50 -2.88 0.00 0.00 179.24 176.22 1cf3 h TRP 402 N 0.01 0.93 0.11 0.28 6.55 -0.94 0.19 115.95 123.07 1cf3 h TRP 402 Ca 0.18 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 60.04 1cf3 h TRP 402 Cb 0.27 -0.29 0.00 0.00 -0.86 0.00 0.00 29.16 28.28 1cf3 h TRP 402 CO -0.33 0.38 -0.05 0.82 -1.05 0.00 0.00 178.44 178.20 1cf3 h ILE 403 N 0.85 0.91 0.05 1.49 2.04 -0.69 -0.99 117.51 121.17 1cf3 h ILE 403 Ca 0.42 -1.34 -0.23 0.00 1.00 0.00 0.00 64.86 64.71 1cf3 h ILE 403 Cb 0.40 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1cf3 h ILE 403 CO -0.25 0.26 -1.06 -0.37 0.00 0.00 0.00 178.15 176.73 1cf3 h VAL 404 N -0.90 1.55 0.00 1.67 -1.51 -0.88 -3.02 116.25 113.16 1cf3 h VAL 404 Ca -0.01 -2.99 -0.33 0.00 -1.23 0.00 0.00 66.70 62.13 1cf3 h VAL 404 Cb 0.54 2.76 -0.06 0.00 -2.13 0.00 0.00 31.29 32.39 1cf3 h VAL 404 CO 0.02 0.87 -2.26 0.59 -1.23 0.00 0.00 177.57 175.57 1cf3 n ASN 405 N -3.54 1.03 -0.21 4.19 3.02 0.62 -4.57 115.26 115.80 1cf3 n ASN 405 Ca -0.05 -0.04 0.09 0.00 -0.03 0.00 0.00 54.58 54.55 1cf3 n ASN 405 Cb 0.93 0.57 -0.05 0.00 -0.61 0.00 0.00 39.78 40.63 1cf3 n ASN 405 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1cf3 n HIS 406 N -2.81 0.00 -4.02 3.10 8.25 -1.04 -5.01 115.22 113.69 1cf3 n HIS 406 Ca -0.33 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 56.86 1cf3 n HIS 406 Cb 1.04 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.12 1cf3 n HIS 406 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1cf3 n ASN 407 N -0.74 -0.55 -4.80 0.41 4.05 -0.42 -4.94 115.26 108.26 1cf3 n ASN 407 Ca 0.05 -1.03 -0.31 0.00 0.45 0.00 0.00 54.58 53.74 1cf3 n ASN 407 Cb 0.33 -2.87 0.08 0.00 1.23 0.00 0.00 39.78 38.54 1cf3 n ASN 407 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1cf3 s VAL 408 N -3.92 3.51 0.17 3.44 -7.23 -0.94 -4.90 120.40 110.53 1cf3 s VAL 408 Ca 0.09 0.49 -0.31 0.00 -1.81 0.00 0.00 61.98 60.44 1cf3 s VAL 408 Cb -0.05 -3.19 -0.09 0.00 0.56 0.00 0.00 36.38 33.61 1cf3 s VAL 408 CO 0.90 -0.64 1.47 0.00 -0.31 0.00 0.00 175.10 176.52 1cf3 s ALA 409 N -3.06 3.67 -0.16 1.32 0.00 -1.26 -4.18 121.76 118.09 1cf3 s ALA 409 Ca 0.60 1.27 0.18 0.00 0.00 0.00 0.00 51.96 54.01 1cf3 s ALA 409 Cb -0.15 -3.57 -0.25 0.00 0.00 0.00 0.00 23.12 19.15 1cf3 s ALA 409 CO 0.55 -0.71 0.14 0.98 0.00 0.00 0.00 175.76 176.72 1cf3 n TYR 410 N 3.49 0.00 -4.07 0.00 9.36 0.21 -4.79 117.16 121.35 1cf3 n TYR 410 Ca 0.11 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.25 1cf3 n TYR 410 Cb 0.40 -0.86 -0.10 0.00 -0.63 0.00 0.00 39.34 38.15 1cf3 n TYR 410 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1cf3 s SER 411 N -5.18 0.52 -0.09 2.98 1.04 -0.63 -0.12 113.70 112.23 1cf3 s SER 411 Ca -0.09 -0.88 0.02 0.00 0.48 0.00 0.00 55.95 55.48 1cf3 s SER 411 Cb 0.07 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1cf3 s SER 411 CO 0.80 -0.51 -0.14 -0.70 0.98 0.00 0.00 173.24 173.67 1cf3 s GLU 412 N -3.29 2.00 -0.42 4.02 2.12 0.29 -1.15 118.70 122.28 1cf3 s GLU 412 Ca 0.02 -0.50 -0.06 0.00 0.36 0.00 0.00 54.97 54.79 1cf3 s GLU 412 Cb 0.03 -1.68 0.10 0.00 0.26 0.00 0.00 34.13 32.84 1cf3 s GLU 412 CO -0.07 -0.02 0.24 -0.51 -0.54 0.00 0.00 175.26 174.36 1cf3 s LEU 413 N 0.84 5.24 -0.21 2.70 1.02 -0.35 -1.24 118.68 126.69 1cf3 s LEU 413 Ca -0.10 -1.80 -0.16 0.00 0.02 0.00 0.00 54.13 52.09 1cf3 s LEU 413 Cb -0.15 -1.91 -0.04 0.00 0.02 0.00 0.00 46.19 44.11 1cf3 s LEU 413 CO 0.01 -0.56 0.42 0.12 0.02 0.00 0.00 176.35 176.36 1cf3 s PHE 414 N 1.29 3.36 -0.18 0.29 2.19 -0.08 -0.71 117.98 124.14 1cf3 s PHE 414 Ca 0.05 0.63 -0.07 0.00 0.33 0.00 0.00 56.93 57.87 1cf3 s PHE 414 Cb -0.24 -2.56 -0.04 0.00 -1.31 0.00 0.00 43.02 38.87 1cf3 s PHE 414 CO -0.01 -0.05 0.06 -1.17 1.83 0.00 0.00 175.22 175.87 1cf3 s LEU 415 N 1.47 3.81 -0.02 6.12 2.96 0.18 -1.44 118.68 131.75 1cf3 s LEU 415 Ca 0.20 0.09 0.06 0.00 -0.22 0.00 0.00 54.13 54.25 1cf3 s LEU 415 Cb -0.15 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1cf3 s LEU 415 CO 0.08 0.19 -0.19 -1.81 -1.32 0.00 0.00 176.35 173.30 1cf3 s ASP 416 N 0.28 3.64 0.00 3.68 1.01 0.54 -2.16 116.67 123.66 1cf3 s ASP 416 Ca 0.03 -0.35 0.00 0.00 0.71 0.00 0.00 52.55 52.95 1cf3 s ASP 416 Cb -0.12 -0.62 0.00 0.00 1.01 0.00 0.00 42.92 43.19 1cf3 s ASP 416 CO 0.00 0.31 0.00 0.35 0.21 0.00 0.00 175.17 176.05 1cf3 n THR 417 N 2.15 0.00 -3.92 -1.27 -2.24 -0.88 -1.44 114.28 106.69 1cf3 n THR 417 Ca -0.17 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.34 1cf3 n THR 417 Cb 0.52 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 1cf3 n THR 417 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cf3 n ALA 418 N -3.00 -2.12 0.00 6.98 0.00 -0.60 -3.24 120.51 118.53 1cf3 n ALA 418 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1cf3 n ALA 418 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1cf3 n ALA 418 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cf3 n GLY 419 N -1.95 2.37 2.77 0.00 0.00 -1.26 -4.96 105.19 102.16 1cf3 n GLY 419 Ca -0.27 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 1cf3 n GLY 419 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1cf3 n VAL 420 N -0.59 0.00 -3.96 1.61 0.24 -1.20 -4.48 118.33 109.96 1cf3 n VAL 420 Ca 0.00 -1.67 -0.30 0.00 -2.04 0.00 0.00 64.34 60.32 1cf3 n VAL 420 Cb 0.00 0.95 -0.14 0.00 -1.47 0.00 0.00 33.84 33.18 1cf3 n VAL 420 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cf3 s ALA 421 N -2.77 3.11 -0.19 2.33 0.00 -0.66 -4.14 121.76 119.45 1cf3 s ALA 421 Ca 0.27 -3.00 -0.03 0.00 0.00 0.00 0.00 51.96 49.21 1cf3 s ALA 421 Cb 0.00 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.03 1cf3 s ALA 421 CO 0.20 -1.91 -0.07 0.45 0.00 0.00 0.00 175.76 174.42 1cf3 s SER 422 N 0.13 4.19 -0.18 0.00 0.15 -0.52 -1.05 113.70 116.42 1cf3 s SER 422 Ca 0.15 -0.38 -0.06 0.00 0.70 0.00 0.00 55.95 56.37 1cf3 s SER 422 Cb -0.24 -1.70 -0.03 0.00 -1.71 0.00 0.00 66.02 62.34 1cf3 s SER 422 CO -0.03 0.04 0.02 -0.36 1.20 0.00 0.00 173.24 174.10 1cf3 s PHE 423 N 1.14 3.13 -0.21 3.44 0.08 0.12 -0.34 117.98 125.34 1cf3 s PHE 423 Ca 0.01 -0.15 -0.08 0.00 0.12 0.00 0.00 56.93 56.83 1cf3 s PHE 423 Cb -0.14 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 1cf3 s PHE 423 CO -0.02 0.02 0.09 -0.51 -0.10 0.00 0.00 175.22 174.70 1cf3 s ASP 424 N 0.47 5.71 -0.01 1.36 1.01 -0.52 -1.21 116.67 123.48 1cf3 s ASP 424 Ca -0.00 0.05 0.07 0.00 0.71 0.00 0.00 52.55 53.39 1cf3 s ASP 424 Cb -0.13 -2.00 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 1cf3 s ASP 424 CO 0.02 0.12 -0.24 -0.69 0.21 0.00 0.00 175.17 174.59 1cf3 s VAL 425 N 0.73 2.28 -0.09 -1.27 1.01 0.39 -0.90 120.40 122.55 1cf3 s VAL 425 Ca 0.05 -1.09 -0.13 0.00 0.00 0.00 0.00 61.98 60.80 1cf3 s VAL 425 Cb -0.13 -1.83 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1cf3 s VAL 425 CO 0.02 0.53 0.33 -1.66 0.00 0.00 0.00 175.10 174.33 1cf3 s TRP 426 N -0.68 -0.32 -0.23 5.22 -2.14 -0.37 -1.50 118.94 118.92 1cf3 s TRP 426 Ca 0.11 0.72 -0.29 0.00 2.66 0.00 0.00 56.10 59.30 1cf3 s TRP 426 Cb -0.10 0.12 -0.01 0.00 -3.10 0.00 0.00 33.47 30.38 1cf3 s TRP 426 CO 0.00 -0.25 1.32 0.34 -2.66 0.00 0.00 176.95 175.70 1cf3 s ASP 427 N -0.29 6.76 0.39 -2.66 -1.08 -1.25 -0.55 116.67 117.99 1cf3 s ASP 427 Ca -0.04 1.48 0.21 0.00 -0.52 0.00 0.00 52.55 53.68 1cf3 s ASP 427 Cb -0.03 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.47 1cf3 s ASP 427 CO 0.02 -0.95 1.68 -0.07 0.52 0.00 0.00 175.17 176.36 1cf3 h LEU 428 N 10.44 0.00 -7.00 -1.34 3.38 -0.85 -3.41 115.31 116.52 1cf3 h LEU 428 Ca -0.27 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.08 1cf3 h LEU 428 Cb 1.11 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.44 1cf3 h LEU 428 CO 1.00 0.28 -0.60 0.18 0.09 0.00 0.00 178.44 179.38 1cf3 n LEU 429 N -3.29 2.78 -4.77 1.67 4.77 -1.25 -4.57 117.00 112.35 1cf3 n LEU 429 Ca 0.01 -5.16 -0.38 0.00 -0.03 0.00 0.00 56.01 50.46 1cf3 n LEU 429 Cb 0.54 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1cf3 n LEU 429 CO 0.35 1.78 0.80 -2.16 -1.33 0.00 0.00 177.39 176.83 1cf3 s PRO 430 N -1.39 4.16 0.03 3.23 0.04 -1.26 -4.95 135.00 134.86 1cf3 s PRO 430 Ca 0.26 1.72 0.22 0.00 0.04 0.00 0.00 61.00 63.24 1cf3 s PRO 430 Cb -0.03 -2.69 -0.10 0.00 0.04 0.00 0.00 34.50 31.73 1cf3 s PRO 430 CO -0.17 -0.20 0.88 1.19 0.04 0.00 0.00 177.00 178.74 1cf3 n PHE 431 N 0.15 0.17 -1.52 0.56 3.01 -1.26 -4.93 117.46 113.65 1cf3 n PHE 431 Ca 0.04 0.05 -0.34 0.00 1.01 0.00 0.00 57.45 58.21 1cf3 n PHE 431 Cb 0.47 -0.38 0.08 0.00 -0.01 0.00 0.00 39.48 39.65 1cf3 n PHE 431 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1cf3 s THR 432 N -3.23 2.40 -0.03 4.37 -1.32 -1.26 -4.98 115.64 111.58 1cf3 s THR 432 Ca 0.02 0.20 0.02 0.00 -1.21 0.00 0.00 61.69 60.72 1cf3 s THR 432 Cb 0.14 -2.80 0.01 0.00 -1.51 0.00 0.00 72.50 68.34 1cf3 s THR 432 CO 0.84 -0.10 -0.09 -0.13 -2.21 0.00 0.00 174.62 172.92 1cf3 s ARG 433 N -3.86 1.06 0.00 7.08 1.81 -1.26 -4.81 118.95 118.97 1cf3 s ARG 433 Ca 0.74 -0.32 0.00 0.00 -1.72 0.00 0.00 55.73 54.44 1cf3 s ARG 433 Cb -0.29 -0.97 0.00 0.00 -0.45 0.00 0.00 34.95 33.24 1cf3 s ARG 433 CO 0.44 0.10 0.00 0.41 -0.68 0.00 0.00 175.30 175.57 1cf3 n GLY 434 N 3.39 6.51 3.48 -3.53 0.00 -0.02 -4.20 105.19 110.82 1cf3 n GLY 434 Ca -0.19 -2.07 -0.10 0.00 0.00 0.00 0.00 46.02 43.65 1cf3 n GLY 434 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1cf3 s TYR 435 N 0.63 0.65 -0.05 1.61 -0.85 -0.53 -1.63 117.35 117.17 1cf3 s TYR 435 Ca 0.00 -0.96 -0.02 0.00 -0.52 0.00 0.00 57.07 55.57 1cf3 s TYR 435 Cb 0.00 -0.03 0.04 0.00 0.38 0.00 0.00 41.96 42.34 1cf3 s TYR 435 CO 0.00 -0.92 0.10 0.54 -1.52 0.00 0.00 175.55 173.75 1cf3 s VAL 436 N -3.93 -0.13 0.02 -3.49 0.11 -0.36 -0.84 120.40 111.77 1cf3 s VAL 436 Ca 0.28 0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 1cf3 s VAL 436 Cb 0.01 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.65 1cf3 s VAL 436 CO 0.11 0.13 -0.02 -1.00 -3.33 0.00 0.00 175.10 170.99 1cf3 s HIS 437 N 1.76 0.21 0.74 1.54 3.76 -0.60 -4.48 115.29 118.23 1cf3 s HIS 437 Ca -0.02 -0.38 -0.14 0.00 -0.15 0.00 0.00 55.06 54.38 1cf3 s HIS 437 Cb -0.12 -0.15 0.04 0.00 1.11 0.00 0.00 32.58 33.46 1cf3 s HIS 437 CO -0.04 -0.13 1.15 0.96 -0.85 0.00 0.00 174.74 175.83 1cf3 s ILE 438 N -1.04 2.69 0.00 0.60 -4.36 -1.26 0.12 121.20 117.95 1cf3 s ILE 438 Ca -0.11 0.30 0.00 0.00 -0.26 0.00 0.00 60.65 60.58 1cf3 s ILE 438 Cb -0.07 -2.76 0.00 0.00 1.25 0.00 0.00 42.46 40.87 1cf3 s ILE 438 CO -0.01 -0.22 0.38 0.18 0.24 0.00 0.00 174.94 175.51 1cf3 n LEU 439 N -2.95 0.75 -3.76 0.37 4.77 -0.48 -4.76 117.00 110.95 1cf3 n LEU 439 Ca 0.12 -0.76 -0.10 0.00 -0.03 0.00 0.00 56.01 55.24 1cf3 n LEU 439 Cb 0.51 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1cf3 n LEU 439 CO 0.49 0.19 0.02 -0.62 -1.33 0.00 0.00 177.39 176.13 1cf3 s ASP 440 N -0.01 -0.05 0.32 -1.43 2.15 -1.24 -5.01 116.67 111.40 1cf3 s ASP 440 Ca 0.00 -0.46 0.17 0.00 0.43 0.00 0.00 52.55 52.69 1cf3 s ASP 440 Cb 0.00 0.39 0.26 0.00 -0.30 0.00 0.00 42.92 43.28 1cf3 s ASP 440 CO 0.00 -0.76 1.54 0.50 -0.17 0.00 0.00 175.17 176.28 1cf3 h LYS 441 N 2.68 0.00 -6.14 4.34 3.64 -1.95 -3.44 116.57 115.70 1cf3 h LYS 441 Ca -0.34 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.46 1cf3 h LYS 441 Cb 1.22 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 1cf3 h LYS 441 CO 0.51 0.41 0.74 0.34 -2.27 0.00 0.00 179.45 179.19 1cf3 s ASP 442 N -6.40 6.93 0.36 4.20 2.15 -1.26 -4.93 116.67 117.72 1cf3 s ASP 442 Ca 0.03 1.07 0.06 0.00 0.43 0.00 0.00 52.55 54.14 1cf3 s ASP 442 Cb 0.08 -2.52 0.70 0.00 -0.30 0.00 0.00 42.92 40.88 1cf3 s ASP 442 CO 0.72 -0.77 1.92 -0.65 -0.17 0.00 0.00 175.17 176.22 1cf3 h PRO 443 N 7.91 0.47 -0.00 4.34 0.11 -1.88 -2.68 132.00 140.28 1cf3 h PRO 443 Ca -0.21 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1cf3 h PRO 443 Cb 1.07 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1cf3 h PRO 443 CO 0.99 0.47 -0.04 0.66 -0.21 0.00 0.00 178.00 179.87 1cf3 n TYR 444 N -4.32 0.00 0.15 0.65 4.01 -1.26 -2.78 117.16 113.61 1cf3 n TYR 444 Ca 0.01 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.78 1cf3 n TYR 444 Cb 0.21 -0.28 0.15 0.00 -0.31 0.00 0.00 39.34 39.11 1cf3 n TYR 444 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1cf3 h LEU 445 N 0.13 0.00 -1.42 7.72 5.85 -1.85 -3.46 115.31 122.28 1cf3 h LEU 445 Ca 0.00 0.00 -0.45 0.00 0.84 0.00 0.00 57.88 58.27 1cf3 h LEU 445 Cb 0.33 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.37 1cf3 h LEU 445 CO 0.00 0.50 -0.80 1.41 -0.34 0.00 0.00 178.44 179.21 1cf3 n HIS 446 N -3.38 -2.09 -3.47 1.25 8.25 -1.12 -4.94 115.22 109.72 1cf3 n HIS 446 Ca 0.01 0.87 -0.43 0.00 -0.26 0.00 0.00 57.72 57.91 1cf3 n HIS 446 Cb 0.66 -4.21 -0.08 0.00 1.12 0.00 0.00 29.99 27.48 1cf3 n HIS 446 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1cf3 s HIS 447 N -3.51 3.35 0.11 4.41 5.04 -1.26 -5.06 115.29 118.37 1cf3 s HIS 447 Ca 0.30 -1.60 -0.04 0.00 -1.54 0.00 0.00 55.06 52.18 1cf3 s HIS 447 Cb -0.15 -3.51 -0.03 0.00 0.04 0.00 0.00 32.58 28.94 1cf3 s HIS 447 CO 0.82 -0.97 0.11 -0.59 -2.34 0.00 0.00 174.74 171.77 1cf3 s PHE 448 N 1.46 0.54 -0.29 3.88 -0.12 -1.26 -1.38 117.98 120.81 1cf3 s PHE 448 Ca 0.04 -0.96 -0.03 0.00 -0.05 0.00 0.00 56.93 55.93 1cf3 s PHE 448 Cb -0.27 -0.28 0.04 0.00 -0.63 0.00 0.00 43.02 41.87 1cf3 s PHE 448 CO 0.01 -0.53 0.02 0.00 -0.05 0.00 0.00 175.22 174.66 1cf3 s ALA 449 N -3.96 2.86 -0.31 1.99 0.00 0.12 -4.89 121.76 117.57 1cf3 s ALA 449 Ca 0.15 -1.63 -0.02 0.00 0.00 0.00 0.00 51.96 50.45 1cf3 s ALA 449 Cb 0.06 -1.97 0.05 0.00 0.00 0.00 0.00 23.12 21.27 1cf3 s ALA 449 CO -0.04 -1.11 0.02 -0.47 0.00 0.00 0.00 175.76 174.16 1cf3 s TYR 450 N 1.34 3.28 -0.33 0.00 6.14 -1.26 -1.55 117.35 124.96 1cf3 s TYR 450 Ca -0.02 -1.85 0.01 0.00 0.64 0.00 0.00 57.07 55.85 1cf3 s TYR 450 Cb -0.19 -2.18 0.10 0.00 0.42 0.00 0.00 41.96 40.11 1cf3 s TYR 450 CO -0.01 -0.80 0.10 0.34 0.64 0.00 0.00 175.55 175.82 1cf3 s ASP 451 N 1.30 4.24 0.08 4.32 2.15 -0.02 -1.50 116.67 127.23 1cf3 s ASP 451 Ca -0.04 -1.90 0.22 0.00 0.43 0.00 0.00 52.55 51.26 1cf3 s ASP 451 Cb -0.20 -1.13 0.89 0.00 -0.30 0.00 0.00 42.92 42.18 1cf3 s ASP 451 CO -0.01 -0.39 1.69 -2.65 -0.17 0.00 0.00 175.17 173.64 1cf3 n PRO 452 N 4.53 0.08 -3.95 4.34 -0.02 -1.26 -1.46 135.00 137.25 1cf3 n PRO 452 Ca 0.01 0.21 -0.30 0.00 -2.02 0.00 0.00 63.50 61.40 1cf3 n PRO 452 Cb 0.41 -1.62 0.01 0.00 -0.02 0.00 0.00 33.50 32.28 1cf3 n PRO 452 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1cf3 n GLN 453 N -1.76 -4.67 -1.62 -0.52 6.02 -1.26 -4.04 117.38 109.53 1cf3 n GLN 453 Ca 0.04 0.53 -0.47 0.00 -0.01 0.00 0.00 57.00 57.09 1cf3 n GLN 453 Cb 0.27 -5.24 -0.04 0.00 1.02 0.00 0.00 30.24 26.25 1cf3 n GLN 453 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1cf3 n TYR 454 N -4.53 1.75 -1.79 1.08 4.01 -1.26 -2.37 117.16 114.05 1cf3 n TYR 454 Ca -0.05 0.54 -0.20 0.00 -0.16 0.00 0.00 57.90 58.03 1cf3 n TYR 454 Cb 0.56 -2.38 -0.07 0.00 -0.31 0.00 0.00 39.34 37.15 1cf3 n TYR 454 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1cf3 n PHE 455 N 1.88 -0.27 1.27 -0.72 3.72 -1.26 -4.50 117.46 117.59 1cf3 n PHE 455 Ca 0.14 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.67 1cf3 n PHE 455 Cb 0.27 -3.55 0.33 0.00 -0.94 0.00 0.00 39.48 35.60 1cf3 n PHE 455 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1cf3 n LEU 456 N -2.51 1.97 -4.44 4.37 4.77 -1.00 -4.64 117.00 115.52 1cf3 n LEU 456 Ca -0.21 -0.65 -0.35 0.00 -0.03 0.00 0.00 56.01 54.76 1cf3 n LEU 456 Cb 0.67 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.62 1cf3 n LEU 456 CO 0.30 0.33 -0.32 0.21 -1.33 0.00 0.00 177.39 176.59 1cf3 s ASN 457 N -2.09 4.89 0.47 -1.43 3.84 -1.26 -5.02 114.94 114.32 1cf3 s ASN 457 Ca 0.32 -0.21 0.16 0.00 0.21 0.00 0.00 52.86 53.33 1cf3 s ASN 457 Cb 0.20 -1.85 1.13 0.00 -0.55 0.00 0.00 41.25 40.18 1cf3 s ASN 457 CO 0.36 0.03 2.03 1.05 -2.79 0.00 0.00 177.10 177.78 1cf3 h GLU 458 N 7.74 0.26 -0.02 0.43 4.11 -2.01 -2.18 114.58 122.92 1cf3 h GLU 458 Ca -0.37 -0.02 -0.16 0.00 0.07 0.00 0.00 59.36 58.88 1cf3 h GLU 458 Cb 1.17 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1cf3 h GLU 458 CO 0.60 0.17 -0.72 1.25 0.07 0.00 0.00 179.01 180.38 1cf3 h LEU 459 N 0.26 0.13 -0.67 3.06 5.85 -1.96 -1.19 115.31 120.79 1cf3 h LEU 459 Ca 0.20 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1cf3 h LEU 459 Cb 0.45 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1cf3 h LEU 459 CO -0.04 0.80 0.35 0.44 -0.34 0.00 0.00 178.44 179.65 1cf3 h ASP 460 N 0.07 0.85 -0.15 1.25 3.32 -1.77 0.23 116.42 120.22 1cf3 h ASP 460 Ca -0.02 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1cf3 h ASP 460 Cb 1.27 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1cf3 h ASP 460 CO 0.10 0.72 0.01 0.25 -1.72 0.00 0.00 179.24 178.60 1cf3 h LEU 461 N 0.92 0.25 -0.69 1.55 5.85 -1.38 -1.32 115.31 120.49 1cf3 h LEU 461 Ca 0.23 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1cf3 h LEU 461 Cb 0.07 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1cf3 h LEU 461 CO -0.03 0.49 0.39 -0.07 -0.34 0.00 0.00 178.44 178.87 1cf3 h LEU 462 N 0.00 0.86 -0.40 2.25 3.38 -1.11 -1.78 115.31 118.50 1cf3 h LEU 462 Ca 0.04 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1cf3 h LEU 462 Cb 0.36 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1cf3 h LEU 462 CO 0.01 0.70 -0.20 1.23 0.09 0.00 0.00 178.44 180.26 1cf3 h GLY 463 N 0.95 0.91 0.97 0.83 0.00 -0.55 -0.81 103.07 105.37 1cf3 h GLY 463 Ca 0.24 -0.82 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 1cf3 h GLY 463 CO -0.04 0.75 0.22 -1.61 0.00 0.00 0.00 176.54 175.86 1cf3 h GLN 464 N 0.65 0.76 -0.53 4.80 5.75 -1.08 -1.32 115.11 124.14 1cf3 h GLN 464 Ca 0.09 -0.13 -0.07 0.00 -0.15 0.00 0.00 58.65 58.39 1cf3 h GLN 464 Cb 0.76 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.16 1cf3 h GLN 464 CO 0.06 0.65 0.06 0.00 -2.65 0.00 0.00 178.83 176.95 1cf3 h ALA 465 N 1.06 0.71 -0.51 3.38 0.00 -1.23 -0.90 119.26 121.77 1cf3 h ALA 465 Ca 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1cf3 h ALA 465 Cb 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1cf3 h ALA 465 CO -0.02 0.47 0.28 0.00 0.00 0.00 0.00 179.25 179.99 1cf3 h ALA 466 N 0.97 0.66 -0.43 0.00 0.00 -1.10 0.02 119.26 119.39 1cf3 h ALA 466 Ca 0.16 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1cf3 h ALA 466 Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1cf3 h ALA 466 CO 0.02 0.18 -0.22 0.00 0.00 0.00 0.00 179.25 179.23 1cf3 h ALA 467 N 1.12 0.80 -0.25 0.00 0.00 -1.02 -0.81 119.26 119.10 1cf3 h ALA 467 Ca 0.18 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1cf3 h ALA 467 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1cf3 h ALA 467 CO -0.03 0.65 -0.50 1.15 0.00 0.00 0.00 179.25 180.52 1cf3 h THR 468 N 0.75 1.30 -0.45 0.00 2.02 -1.01 -2.39 112.91 113.13 1cf3 h THR 468 Ca 0.10 -1.71 -0.04 0.00 0.77 0.00 0.00 66.41 65.54 1cf3 h THR 468 Cb 0.76 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 1cf3 h THR 468 CO 0.06 0.54 0.13 -0.61 0.37 0.00 0.00 175.52 176.02 1cf3 h GLN 469 N 0.54 0.67 -0.82 6.66 4.15 -0.81 -1.91 115.11 123.58 1cf3 h GLN 469 Ca 0.02 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 1cf3 h GLN 469 Cb 1.06 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.60 1cf3 h GLN 469 CO 0.10 0.59 0.38 1.25 -1.93 0.00 0.00 178.83 179.22 1cf3 h LEU 470 N 0.65 1.09 -0.77 -2.39 5.85 -1.01 -1.06 115.31 117.66 1cf3 h LEU 470 Ca 0.15 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1cf3 h LEU 470 Cb 0.21 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 1cf3 h LEU 470 CO -0.01 0.93 0.48 0.00 -0.34 0.00 0.00 178.44 179.50 1cf3 h ALA 471 N 1.20 1.03 -0.17 1.25 0.00 -0.83 -0.36 119.26 121.39 1cf3 h ALA 471 Ca 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1cf3 h ALA 471 Cb 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1cf3 h ALA 471 CO -0.03 0.24 0.05 -0.09 0.00 0.00 0.00 179.25 179.41 1cf3 h ARG 472 N 0.90 0.27 -0.38 0.00 2.43 -1.07 -2.67 114.38 113.85 1cf3 h ARG 472 Ca 0.32 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.50 1cf3 h ARG 472 Cb 0.09 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 1cf3 h ARG 472 CO -0.14 0.39 0.04 -0.97 -1.51 0.00 0.00 179.97 177.77 1cf3 h ASN 473 N 0.10 -0.08 1.47 -3.80 -0.73 -0.84 -2.59 115.58 109.11 1cf3 h ASN 473 Ca 0.06 0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.30 1cf3 h ASN 473 Cb 0.24 0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.95 1cf3 h ASN 473 CO -0.00 -0.01 0.00 -0.29 -0.37 0.00 0.00 177.43 176.76 1cf3 h ILE 474 N 0.15 0.00 0.00 2.57 6.09 -1.07 -2.97 117.51 122.28 1cf3 h ILE 474 Ca 0.19 -0.70 -0.03 0.00 -1.37 0.00 0.00 64.86 62.95 1cf3 h ILE 474 Cb 0.25 1.68 -0.00 0.00 0.47 0.00 0.00 36.82 39.21 1cf3 h ILE 474 CO -0.28 0.00 -0.13 0.28 -3.07 0.00 0.00 178.15 174.95 1cf3 h SER 475 N 0.00 0.00 -1.15 2.19 0.02 -1.10 -3.13 113.55 110.39 1cf3 h SER 475 Ca 0.00 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 1cf3 h SER 475 Cb 0.74 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.86 1cf3 h SER 475 CO 0.00 0.13 -0.94 -3.20 -1.14 0.00 0.00 176.83 171.68 1cf3 n ASN 476 N -3.39 3.34 -4.09 3.07 5.15 -1.12 -4.45 115.26 113.77 1cf3 n ASN 476 Ca -0.01 -3.22 -0.16 0.00 -0.60 0.00 0.00 54.58 50.59 1cf3 n ASN 476 Cb 0.31 -0.47 -0.12 0.00 -0.53 0.00 0.00 39.78 38.97 1cf3 n ASN 476 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1cf3 s SER 477 N -3.43 1.17 0.68 1.20 0.01 -1.18 -4.70 113.70 107.44 1cf3 s SER 477 Ca 0.39 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.18 1cf3 s SER 477 Cb 0.41 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1cf3 s SER 477 CO -0.07 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1cf3 n GLY 478 N 1.75 2.54 0.33 3.44 0.00 -1.26 -1.51 105.19 110.48 1cf3 n GLY 478 Ca -0.20 -0.18 0.21 0.00 0.00 0.00 0.00 46.02 45.85 1cf3 n GLY 478 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cf3 h ALA 479 N -0.45 1.10 0.00 4.61 0.00 -1.90 -2.38 119.26 120.24 1cf3 h ALA 479 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1cf3 h ALA 479 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1cf3 h ALA 479 CO 0.00 0.00 -0.26 0.52 0.00 0.00 0.00 179.25 179.52 1cf3 h MET 480 N 0.00 0.00 -0.48 0.00 2.07 -1.44 -3.21 114.93 111.87 1cf3 h MET 480 Ca -0.00 0.00 0.13 0.00 -2.07 0.00 0.00 59.70 57.76 1cf3 h MET 480 Cb 0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.74 1cf3 h MET 480 CO 0.00 0.26 0.34 1.96 1.07 0.00 0.00 176.91 180.54 1cf3 h GLN 481 N 0.00 0.07 -0.21 1.72 4.20 -1.50 -0.74 115.11 118.65 1cf3 h GLN 481 Ca -0.00 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1cf3 h GLN 481 Cb 0.54 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1cf3 h GLN 481 CO 0.03 0.05 -0.08 1.15 -0.67 0.00 0.00 178.83 179.31 1cf3 h THR 482 N 0.07 1.18 0.00 -0.54 2.02 -1.77 -3.16 112.91 110.71 1cf3 h THR 482 Ca 0.23 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1cf3 h THR 482 Cb 0.82 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1cf3 h THR 482 CO -0.02 0.24 -1.54 -1.22 0.37 0.00 0.00 175.52 173.35 1cf3 n TYR 483 N -4.29 0.17 -1.91 3.16 4.01 -0.35 -4.81 117.16 113.14 1cf3 n TYR 483 Ca -0.00 0.05 -0.42 0.00 -0.16 0.00 0.00 57.90 57.37 1cf3 n TYR 483 Cb 0.25 -0.46 -0.03 0.00 -0.31 0.00 0.00 39.34 38.79 1cf3 n TYR 483 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1cf3 s PHE 484 N -3.36 2.01 -0.17 -0.72 5.36 -0.83 -1.64 117.98 118.63 1cf3 s PHE 484 Ca -0.02 0.11 0.13 0.00 -0.96 0.00 0.00 56.93 56.19 1cf3 s PHE 484 Cb 0.14 -4.00 0.42 0.00 -0.34 0.00 0.00 43.02 39.24 1cf3 s PHE 484 CO 0.87 -4.19 1.21 0.00 -1.46 0.00 0.00 175.22 171.65 1cf3 n ALA 485 N 6.64 3.44 0.00 11.12 0.00 0.10 -4.84 120.51 136.97 1cf3 n ALA 485 Ca 0.17 -3.14 0.00 0.00 0.00 0.00 0.00 53.44 50.47 1cf3 n ALA 485 Cb 0.42 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1cf3 n ALA 485 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cf3 n GLY 486 N -0.86 2.48 3.75 0.00 0.00 -1.25 -4.59 105.19 104.72 1cf3 n GLY 486 Ca 0.17 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 1cf3 n GLY 486 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cf3 s GLU 487 N -5.10 4.71 -0.12 1.61 2.12 -1.26 0.38 118.70 121.03 1cf3 s GLU 487 Ca 0.00 1.67 0.08 0.00 0.36 0.00 0.00 54.97 57.08 1cf3 s GLU 487 Cb 0.00 -3.24 -0.13 0.00 0.26 0.00 0.00 34.13 31.01 1cf3 s GLU 487 CO 0.00 0.29 0.00 0.25 -0.54 0.00 0.00 175.26 175.26 1cf3 n THR 488 N 1.58 0.82 -4.03 -1.70 -2.24 0.96 -4.50 114.28 105.16 1cf3 n THR 488 Ca -0.01 -0.46 -0.18 0.00 -2.27 0.00 0.00 64.05 61.13 1cf3 n THR 488 Cb 0.46 -0.77 -0.16 0.00 -2.10 0.00 0.00 70.33 67.76 1cf3 n THR 488 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1cf3 s ILE 489 N -2.29 0.33 0.49 2.28 1.01 -0.73 -3.44 121.20 118.84 1cf3 s ILE 489 Ca -0.09 -0.00 0.32 0.00 0.00 0.00 0.00 60.65 60.88 1cf3 s ILE 489 Cb 0.04 -0.39 0.35 0.00 0.01 0.00 0.00 42.46 42.47 1cf3 s ILE 489 CO 0.45 0.18 2.18 -0.65 0.00 0.00 0.00 174.94 177.10 1cf3 h PRO 490 N 7.20 0.00 0.00 2.79 0.11 -1.85 0.44 132.00 140.69 1cf3 h PRO 490 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1cf3 h PRO 490 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1cf3 h PRO 490 CO 0.48 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 178.73 1cf3 n GLY 491 N -0.88 3.80 0.24 -0.55 0.00 -1.22 -1.49 105.19 105.09 1cf3 n GLY 491 Ca -0.02 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.15 1cf3 n GLY 491 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1cf3 h ASP 492 N 0.00 0.00 0.82 1.61 3.32 -1.88 -3.12 116.42 117.18 1cf3 h ASP 492 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1cf3 h ASP 492 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1cf3 h ASP 492 CO 0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 1cf3 n ASN 493 N -2.77 0.24 -3.62 6.45 5.03 -0.55 -4.65 115.26 115.37 1cf3 n ASN 493 Ca 0.00 0.54 -0.06 0.00 0.87 0.00 0.00 54.58 55.93 1cf3 n ASN 493 Cb 0.21 -0.60 -0.08 0.00 -1.02 0.00 0.00 39.78 38.30 1cf3 n ASN 493 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1cf3 s LEU 494 N -3.48 -0.81 0.36 3.41 2.96 -1.18 -5.07 118.68 114.87 1cf3 s LEU 494 Ca 0.09 1.11 -0.23 0.00 -0.22 0.00 0.00 54.13 54.88 1cf3 s LEU 494 Cb 0.13 1.63 -0.15 0.00 0.50 0.00 0.00 46.19 48.30 1cf3 s LEU 494 CO 0.41 -0.23 0.26 0.00 -1.32 0.00 0.00 176.35 175.47 1cf3 n ALA 495 N 5.41 -2.71 0.24 5.97 0.00 -1.26 -4.60 120.51 123.56 1cf3 n ALA 495 Ca -0.09 0.19 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1cf3 n ALA 495 Cb 0.49 -1.56 0.56 0.00 0.00 0.00 0.00 19.45 18.95 1cf3 n ALA 495 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1cf3 h TYR 496 N 0.56 0.00 -0.61 0.00 3.20 -1.98 -2.05 116.97 116.09 1cf3 h TYR 496 Ca -0.36 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.51 1cf3 h TYR 496 Cb 1.44 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.71 1cf3 h TYR 496 CO 0.33 0.19 0.00 -0.40 -1.64 0.00 0.00 178.16 176.65 1cf3 n ASP 497 N -3.50 5.31 -4.59 -2.11 5.68 -1.26 -5.01 116.55 111.06 1cf3 n ASP 497 Ca -0.01 -2.72 -0.45 0.00 -0.50 0.00 0.00 54.79 51.12 1cf3 n ASP 497 Cb 0.36 -0.64 -0.02 0.00 -1.14 0.00 0.00 41.12 39.68 1cf3 n ASP 497 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cf3 n ALA 498 N 0.84 -0.22 -2.21 2.12 0.00 -0.77 -5.00 120.51 115.27 1cf3 n ALA 498 Ca 0.27 0.39 -0.13 0.00 0.00 0.00 0.00 53.44 53.97 1cf3 n ALA 498 Cb 1.06 -2.02 0.08 0.00 0.00 0.00 0.00 19.45 18.57 1cf3 n ALA 498 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cf3 n ASP 499 N 1.23 0.58 -0.23 0.00 5.75 -1.26 -4.89 116.55 117.74 1cf3 n ASP 499 Ca 0.10 -1.55 -0.07 0.00 -0.01 0.00 0.00 54.79 53.26 1cf3 n ASP 499 Cb 0.32 -0.42 0.07 0.00 -1.03 0.00 0.00 41.12 40.05 1cf3 n ASP 499 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1cf3 h LEU 500 N 0.00 1.03 -0.87 -2.12 5.85 -1.96 -2.37 115.31 114.87 1cf3 h LEU 500 Ca -0.20 -0.23 -0.11 0.00 0.84 0.00 0.00 57.88 58.18 1cf3 h LEU 500 Cb 0.69 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1cf3 h LEU 500 CO 0.19 1.01 -0.30 0.77 -0.34 0.00 0.00 178.44 179.77 1cf3 h SER 501 N 1.01 0.49 -0.50 1.25 4.64 -1.99 -1.89 113.55 116.57 1cf3 h SER 501 Ca 0.20 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1cf3 h SER 501 Cb 0.41 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1cf3 h SER 501 CO 0.01 0.78 0.32 0.00 -0.87 0.00 0.00 176.83 177.07 1cf3 h ALA 502 N 1.26 0.64 -0.92 5.18 0.00 -1.87 -2.17 119.26 121.38 1cf3 h ALA 502 Ca 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1cf3 h ALA 502 Cb 0.74 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1cf3 h ALA 502 CO 0.06 0.10 0.60 -1.49 0.00 0.00 0.00 179.25 178.53 1cf3 h TRP 503 N 0.68 1.14 -0.11 0.00 4.06 -1.05 -2.06 115.95 118.60 1cf3 h TRP 503 Ca 0.18 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 61.11 1cf3 h TRP 503 Cb -0.05 -0.38 -0.01 0.00 -1.00 0.00 0.00 29.16 27.72 1cf3 h TRP 503 CO -0.03 0.70 -0.18 1.79 -3.56 0.00 0.00 178.44 177.16 1cf3 h THR 504 N 1.21 1.19 0.00 1.49 1.35 -0.76 0.48 112.91 117.88 1cf3 h THR 504 Ca 0.34 -0.84 -0.13 0.00 -0.55 0.00 0.00 66.41 65.23 1cf3 h THR 504 Cb -0.10 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 67.60 1cf3 h THR 504 CO -0.09 0.26 -0.61 -0.33 -0.25 0.00 0.00 175.52 174.50 1cf3 h GLU 505 N 0.17 0.00 0.21 4.72 5.08 -0.82 -3.35 114.58 120.58 1cf3 h GLU 505 Ca 0.03 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.08 1cf3 h GLU 505 Cb 0.42 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.69 1cf3 h GLU 505 CO 0.03 0.61 -1.45 -0.92 -1.00 0.00 0.00 179.01 176.28 1cf3 h TYR 506 N 0.00 0.79 -0.79 4.33 5.03 -0.70 -3.40 116.97 122.24 1cf3 h TYR 506 Ca -0.01 -0.58 0.12 0.00 2.58 0.00 0.00 58.73 60.85 1cf3 h TYR 506 Cb 1.20 -0.03 -0.08 0.00 1.55 0.00 0.00 36.73 39.37 1cf3 h TYR 506 CO 0.00 1.56 0.39 0.82 -1.32 0.00 0.00 178.16 179.61 1cf3 h ILE 507 N 0.01 0.78 -0.10 1.81 1.08 -1.08 -2.55 117.51 117.46 1cf3 h ILE 507 Ca -0.27 -0.21 0.03 0.00 -0.39 0.00 0.00 64.86 64.02 1cf3 h ILE 507 Cb 2.03 0.12 -0.00 0.00 -3.07 0.00 0.00 36.82 35.89 1cf3 h ILE 507 CO 0.21 0.11 0.11 -0.65 -0.69 0.00 0.00 178.15 177.24 1cf3 h PRO 508 N 0.61 0.00 -0.01 2.37 0.11 -1.77 -1.67 132.00 131.64 1cf3 h PRO 508 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1cf3 h PRO 508 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1cf3 h PRO 508 CO -0.32 0.00 -0.53 0.66 -0.21 0.00 0.00 178.00 177.60 1cf3 n TYR 509 N -3.83 0.00 -2.89 0.65 4.01 -0.97 -4.56 117.16 109.57 1cf3 n TYR 509 Ca -0.01 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.58 1cf3 n TYR 509 Cb 0.21 -0.11 -0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1cf3 n TYR 509 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1cf3 n HIS 510 N -0.95 1.16 -4.21 -0.72 8.25 -0.63 -5.10 115.22 113.02 1cf3 n HIS 510 Ca 0.08 -3.35 -0.12 0.00 -0.26 0.00 0.00 57.72 54.07 1cf3 n HIS 510 Cb 0.36 -0.38 -0.10 0.00 1.12 0.00 0.00 29.99 30.99 1cf3 n HIS 510 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 1cf3 s PHE 511 N -2.89 1.11 0.07 4.41 -0.71 -1.21 -4.59 117.98 114.16 1cf3 s PHE 511 Ca 0.36 -1.18 0.02 0.00 -1.04 0.00 0.00 56.93 55.08 1cf3 s PHE 511 Cb 0.39 -0.62 -0.03 0.00 -1.21 0.00 0.00 43.02 41.55 1cf3 s PHE 511 CO -0.04 -0.41 -0.07 -0.98 -1.34 0.00 0.00 175.22 172.38 1cf3 s ARG 512 N -4.02 0.67 0.72 1.99 1.70 -0.03 -4.95 118.95 115.03 1cf3 s ARG 512 Ca 0.28 -1.06 -0.16 0.00 -0.47 0.00 0.00 55.73 54.32 1cf3 s ARG 512 Cb 0.07 -0.18 -0.00 0.00 -0.57 0.00 0.00 34.95 34.27 1cf3 s ARG 512 CO 0.06 -0.00 0.89 -2.30 -1.08 0.00 0.00 175.30 172.86 1cf3 n PRO 513 N 0.64 0.46 0.00 3.89 -0.02 -1.26 -0.12 135.00 138.59 1cf3 n PRO 513 Ca -0.17 0.21 0.13 0.00 -2.02 0.00 0.00 63.50 61.64 1cf3 n PRO 513 Cb 0.58 -2.15 0.25 0.00 -0.02 0.00 0.00 33.50 32.16 1cf3 n PRO 513 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1cf3 n ASN 514 N -1.46 2.22 -2.80 2.55 5.15 -0.37 -4.62 115.26 115.93 1cf3 n ASN 514 Ca 0.12 -1.68 -0.22 0.00 -0.60 0.00 0.00 54.58 52.21 1cf3 n ASN 514 Cb 0.49 0.07 0.02 0.00 -0.53 0.00 0.00 39.78 39.84 1cf3 n ASN 514 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1cf3 n TYR 515 N 0.62 -1.68 -2.09 1.20 4.01 -1.26 -4.92 117.16 113.04 1cf3 n TYR 515 Ca 0.15 0.37 -0.22 0.00 -0.16 0.00 0.00 57.90 58.04 1cf3 n TYR 515 Cb 0.48 -4.32 0.02 0.00 -0.31 0.00 0.00 39.34 35.21 1cf3 n TYR 515 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1cf3 n HIS 516 N -4.37 2.64 -2.15 -0.72 8.25 -1.26 -5.04 115.22 112.56 1cf3 n HIS 516 Ca -0.15 -2.23 -0.42 0.00 -0.26 0.00 0.00 57.72 54.66 1cf3 n HIS 516 Cb 0.64 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 1cf3 n HIS 516 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1cf3 s GLY 517 N -3.61 2.08 0.21 -1.41 0.00 -1.26 -4.65 107.32 98.67 1cf3 s GLY 517 Ca 0.49 1.15 0.02 0.00 0.00 0.00 0.00 44.72 46.38 1cf3 s GLY 517 CO 0.03 2.30 0.04 -1.34 0.00 0.00 0.00 173.10 174.13 1cf3 s VAL 518 N 0.80 0.68 0.00 1.40 -7.23 -0.81 -4.69 120.40 110.55 1cf3 s VAL 518 Ca 0.63 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 1cf3 s VAL 518 Cb -0.38 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.21 1cf3 s VAL 518 CO 0.33 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.46 1cf3 n GLY 519 N -0.35 0.30 0.11 2.32 0.00 -0.92 -1.30 105.19 105.35 1cf3 n GLY 519 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1cf3 n GLY 519 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cf3 n THR 520 N -2.00 0.71 -3.15 2.61 -2.24 -0.84 -2.87 114.28 106.50 1cf3 n THR 520 Ca 0.00 0.02 -0.23 0.00 -2.27 0.00 0.00 64.05 61.57 1cf3 n THR 520 Cb 0.00 -0.91 -0.05 0.00 -2.10 0.00 0.00 70.33 67.27 1cf3 n THR 520 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cf3 n SER 522 N 0.43 2.85 -4.51 0.00 7.64 -1.14 -3.85 113.62 115.04 1cf3 n SER 522 Ca 0.27 1.09 -0.42 0.00 1.01 0.00 0.00 58.87 60.81 1cf3 n SER 522 Cb 0.51 -1.38 -0.03 0.00 -1.01 0.00 0.00 64.21 62.30 1cf3 n SER 522 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1cf3 s MET 523 N 0.94 3.39 0.13 1.43 0.00 0.81 -0.66 119.30 125.34 1cf3 s MET 523 Ca 0.80 -0.98 -0.24 0.00 0.00 0.00 0.00 55.69 55.27 1cf3 s MET 523 Cb -0.73 -4.74 0.08 0.00 0.00 0.00 0.00 34.83 29.43 1cf3 s MET 523 CO 0.40 -2.02 0.68 0.00 0.00 0.00 0.00 175.02 174.08 1cf3 s MET 524 N 4.50 1.19 0.57 4.11 0.23 -1.15 -4.56 119.30 124.18 1cf3 s MET 524 Ca 0.36 -0.46 -0.18 0.00 -1.03 0.00 0.00 55.69 54.38 1cf3 s MET 524 Cb -0.06 0.54 -0.09 0.00 -1.53 0.00 0.00 34.83 33.68 1cf3 s MET 524 CO 0.00 -0.52 0.50 -2.30 -2.03 0.00 0.00 175.02 170.67 1cf3 n PRO 525 N -0.35 0.49 -0.34 3.16 -0.02 -1.26 -3.91 135.00 132.77 1cf3 n PRO 525 Ca -0.14 0.19 0.06 0.00 -2.02 0.00 0.00 63.50 61.60 1cf3 n PRO 525 Cb 0.64 -1.67 0.25 0.00 -0.02 0.00 0.00 33.50 32.69 1cf3 n PRO 525 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1cf3 h LYS 526 N 0.23 0.97 0.00 -0.52 3.64 -1.91 0.36 116.57 119.34 1cf3 h LYS 526 Ca -0.45 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1cf3 h LYS 526 Cb 1.40 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1cf3 h LYS 526 CO 0.47 0.64 0.00 1.05 -2.27 0.00 0.00 179.45 179.34 1cf3 h GLU 527 N 1.00 0.00 -0.28 1.90 9.09 -1.91 -2.65 114.58 121.72 1cf3 h GLU 527 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.87 1cf3 h GLU 527 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 1cf3 h GLU 527 CO -0.22 0.00 0.00 -1.33 0.05 0.00 0.00 179.01 177.51 1cf3 n MET 528 N -3.04 1.79 -0.28 1.06 2.81 0.05 -4.88 117.12 114.63 1cf3 n MET 528 Ca 0.01 -1.21 0.00 0.00 -1.81 0.00 0.00 57.70 54.68 1cf3 n MET 528 Cb 0.30 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 1cf3 n MET 528 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1cf3 n GLY 529 N 1.10 0.84 3.76 3.03 0.00 -1.00 -4.85 105.19 108.07 1cf3 n GLY 529 Ca 0.14 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1cf3 n GLY 529 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cf3 s GLY 530 N -2.16 1.91 -0.09 -0.02 0.00 -0.80 -4.79 107.32 101.38 1cf3 s GLY 530 Ca 0.00 0.43 0.07 0.00 0.00 0.00 0.00 44.72 45.22 1cf3 s GLY 530 CO 0.00 0.79 0.01 -0.62 0.00 0.00 0.00 173.10 173.28 1cf3 n VAL 531 N -3.05 0.61 -4.16 1.40 0.31 0.16 -4.61 118.33 108.99 1cf3 n VAL 531 Ca 0.10 -0.36 -0.15 0.00 -0.01 0.00 0.00 64.34 63.92 1cf3 n VAL 531 Cb 0.52 -0.78 -0.11 0.00 -0.91 0.00 0.00 33.84 32.56 1cf3 n VAL 531 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1cf3 s VAL 532 N -2.22 0.91 0.00 2.52 -7.23 -1.07 -2.55 120.40 110.77 1cf3 s VAL 532 Ca -0.06 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1cf3 s VAL 532 Cb 0.03 -1.21 0.00 0.00 0.56 0.00 0.00 36.38 35.76 1cf3 s VAL 532 CO 0.35 -0.48 0.00 -0.90 -0.31 0.00 0.00 175.10 173.76 1cf3 n ASP 533 N 0.80 0.00 0.00 4.85 5.68 -0.16 -2.94 116.55 124.78 1cf3 n ASP 533 Ca -0.18 -0.84 0.07 0.00 -0.50 0.00 0.00 54.79 53.34 1cf3 n ASP 533 Cb 0.57 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.99 1cf3 n ASP 533 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1cf3 n ASN 534 N -2.53 0.00 -0.27 -1.12 6.94 -1.26 -1.08 115.26 115.94 1cf3 n ASN 534 Ca 0.00 -1.12 0.10 0.00 -0.02 0.00 0.00 54.58 53.53 1cf3 n ASN 534 Cb 0.00 0.00 0.17 0.00 -2.36 0.00 0.00 39.78 37.59 1cf3 n ASN 534 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1cf3 n ALA 535 N -0.79 2.44 -1.69 -2.53 0.00 -1.26 -4.95 120.51 111.72 1cf3 n ALA 535 Ca 0.11 -2.54 -0.15 0.00 0.00 0.00 0.00 53.44 50.86 1cf3 n ALA 535 Cb 0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 1cf3 n ALA 535 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cf3 n ALA 536 N -1.20 -0.29 -2.48 0.00 0.00 -0.24 -4.95 120.51 111.35 1cf3 n ALA 536 Ca 0.17 0.20 -0.39 0.00 0.00 0.00 0.00 53.44 53.42 1cf3 n ALA 536 Cb 0.70 -1.62 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 1cf3 n ALA 536 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1cf3 s ARG 537 N -3.71 4.33 0.05 0.00 0.52 -1.26 -1.85 118.95 117.04 1cf3 s ARG 537 Ca 0.00 0.77 -0.31 0.00 -0.52 0.00 0.00 55.73 55.67 1cf3 s ARG 537 Cb 0.00 -3.34 -0.06 0.00 0.52 0.00 0.00 34.95 32.06 1cf3 s ARG 537 CO 0.00 0.36 1.33 0.08 0.02 0.00 0.00 175.30 177.09 1cf3 s VAL 538 N -0.18 3.70 0.20 3.52 1.01 -0.85 -0.99 120.40 126.81 1cf3 s VAL 538 Ca 0.32 1.17 -0.33 0.00 0.00 0.00 0.00 61.98 63.14 1cf3 s VAL 538 Cb -0.18 -3.75 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 1cf3 s VAL 538 CO 0.18 0.05 1.63 -1.22 0.00 0.00 0.00 175.10 175.74 1cf3 n TYR 539 N 4.55 2.54 -0.64 5.22 4.01 -1.05 -2.82 117.16 128.96 1cf3 n TYR 539 Ca 0.11 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 1cf3 n TYR 539 Cb 0.44 -2.60 0.00 0.00 -0.31 0.00 0.00 39.34 36.87 1cf3 n TYR 539 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cf3 n GLY 540 N 3.47 0.81 3.11 2.72 0.00 -1.26 -5.03 105.19 109.02 1cf3 n GLY 540 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1cf3 n GLY 540 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cf3 s VAL 541 N -3.16 1.10 0.02 1.61 1.01 -1.13 -4.22 120.40 115.63 1cf3 s VAL 541 Ca 0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 1cf3 s VAL 541 Cb 0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1cf3 s VAL 541 CO 0.00 0.23 0.34 -1.10 0.00 0.00 0.00 175.10 174.57 1cf3 s GLN 542 N -0.55 3.72 -0.81 2.72 -0.21 0.09 -4.55 119.66 120.07 1cf3 s GLN 542 Ca 0.04 0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.57 1cf3 s GLN 542 Cb -0.06 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.85 1cf3 s GLN 542 CO -0.00 0.64 0.00 0.41 -2.12 0.00 0.00 175.29 174.22 1cf3 n GLY 543 N 1.31 0.07 2.82 3.09 0.00 -1.26 -1.30 105.19 109.93 1cf3 n GLY 543 Ca -0.12 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 1cf3 n GLY 543 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cf3 s LEU 544 N -2.64 0.89 0.20 0.99 2.96 -1.26 -0.93 118.68 118.89 1cf3 s LEU 544 Ca 0.00 -0.13 0.08 0.00 -0.22 0.00 0.00 54.13 53.87 1cf3 s LEU 544 Cb 0.00 -0.50 -0.05 0.00 0.50 0.00 0.00 46.19 46.15 1cf3 s LEU 544 CO 0.00 -0.14 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.60 1cf3 s ARG 545 N 1.62 1.35 -0.19 1.98 0.52 -0.81 -2.00 118.95 121.42 1cf3 s ARG 545 Ca 0.00 -1.55 0.01 0.00 -0.52 0.00 0.00 55.73 53.67 1cf3 s ARG 545 Cb -0.13 -1.26 0.03 0.00 0.52 0.00 0.00 34.95 34.12 1cf3 s ARG 545 CO -0.04 0.23 -0.15 0.08 0.02 0.00 0.00 175.30 175.43 1cf3 s VAL 546 N -2.63 1.91 -0.33 3.52 1.01 -0.77 -0.44 120.40 122.68 1cf3 s VAL 546 Ca 0.21 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.23 1cf3 s VAL 546 Cb -0.03 -1.84 0.16 0.00 0.00 0.00 0.00 36.38 34.67 1cf3 s VAL 546 CO 0.08 0.35 1.13 2.30 0.00 0.00 0.00 175.10 178.95 1cf3 n ILE 547 N 4.63 1.17 -2.31 2.22 -5.35 -0.40 -4.79 119.36 114.52 1cf3 n ILE 547 Ca -0.18 -1.18 0.00 0.00 -0.27 0.00 0.00 62.75 61.13 1cf3 n ILE 547 Cb 0.48 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.76 1cf3 n ILE 547 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1cf3 n ASP 548 N -0.25 0.80 0.00 7.28 5.68 -1.25 -4.75 116.55 124.05 1cf3 n ASP 548 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 1cf3 n ASP 548 Cb 0.39 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.38 1cf3 n ASP 548 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cf3 n GLY 549 N 5.00 -0.41 0.21 6.12 0.00 -1.26 -1.87 105.19 112.98 1cf3 n GLY 549 Ca 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1cf3 n GLY 549 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1cf3 h SER 550 N 0.00 0.00 0.80 1.61 0.02 -1.86 -3.14 113.55 110.98 1cf3 h SER 550 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1cf3 h SER 550 Cb 0.01 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1cf3 h SER 550 CO 0.00 0.28 -1.30 0.16 -1.14 0.00 0.00 176.83 174.82 1cf3 h ILE 551 N 0.00 0.78 -2.08 3.27 3.07 -1.48 -0.91 117.51 120.16 1cf3 h ILE 551 Ca -0.00 -2.37 -0.61 0.00 1.55 0.00 0.00 64.86 63.42 1cf3 h ILE 551 Cb 0.67 2.28 0.04 0.00 -0.27 0.00 0.00 36.82 39.54 1cf3 h ILE 551 CO 0.04 0.44 0.86 -2.65 -1.05 0.00 0.00 178.15 175.79 1cf3 n PRO 552 N -3.03 1.98 0.16 0.16 -0.02 -1.26 -0.13 135.00 132.85 1cf3 n PRO 552 Ca -0.09 0.72 0.13 0.00 -2.02 0.00 0.00 63.50 62.24 1cf3 n PRO 552 Cb 0.89 -2.49 0.34 0.00 -0.02 0.00 0.00 33.50 32.22 1cf3 n PRO 552 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1cf3 h PRO 553 N 6.88 0.00 -4.83 0.52 0.13 -1.90 -2.87 132.00 129.93 1cf3 h PRO 553 Ca -0.46 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.35 1cf3 h PRO 553 Cb 1.27 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.26 1cf3 h PRO 553 CO 0.90 0.00 -0.63 0.95 -0.23 0.00 0.00 178.00 178.99 1cf3 s THR 554 N -3.19 0.52 0.93 1.56 -4.23 -1.26 -4.93 115.64 105.04 1cf3 s THR 554 Ca 0.08 -1.99 -0.12 0.00 -1.18 0.00 0.00 61.69 58.48 1cf3 s THR 554 Cb 0.09 -2.47 0.20 0.00 1.34 0.00 0.00 72.50 71.66 1cf3 s THR 554 CO 0.61 -0.14 1.27 -1.10 -0.54 0.00 0.00 174.62 174.72 1cf3 s GLN 555 N -4.02 0.67 0.07 3.99 -1.52 -1.26 -4.95 119.66 112.64 1cf3 s GLN 555 Ca 0.34 -0.72 -0.04 0.00 -1.95 0.00 0.00 55.36 52.98 1cf3 s GLN 555 Cb 0.07 -1.96 -0.02 0.00 -0.22 0.00 0.00 33.01 30.88 1cf3 s GLN 555 CO 0.11 -2.31 0.07 -1.64 -0.25 0.00 0.00 175.29 171.26 1cf3 s MET 556 N -5.75 0.73 -1.19 2.91 -1.94 -1.26 -5.05 119.30 107.75 1cf3 s MET 556 Ca 0.74 -1.11 -0.06 0.00 -1.71 0.00 0.00 55.69 53.55 1cf3 s MET 556 Cb -0.03 0.27 0.23 0.00 2.01 0.00 0.00 34.83 37.31 1cf3 s MET 556 CO 0.51 -0.19 1.81 0.43 -0.01 0.00 0.00 175.02 177.58 1cf3 n SER 557 N 0.03 6.22 -3.78 3.03 7.64 -1.26 -4.85 113.62 120.65 1cf3 n SER 557 Ca -0.14 -3.28 0.02 0.00 1.01 0.00 0.00 58.87 56.48 1cf3 n SER 557 Cb 0.62 -1.36 0.01 0.00 -1.01 0.00 0.00 64.21 62.47 1cf3 n SER 557 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1cf3 s SER 558 N -0.37 0.00 0.15 6.43 1.04 -1.26 -4.30 113.70 115.39 1cf3 s SER 558 Ca 0.39 -0.23 -0.29 0.00 0.48 0.00 0.00 55.95 56.29 1cf3 s SER 558 Cb 0.10 0.17 -0.07 0.00 0.10 0.00 0.00 66.02 66.33 1cf3 s SER 558 CO 0.01 -0.34 0.91 -1.00 0.98 0.00 0.00 173.24 173.80 1cf3 s HIS 559 N -2.06 3.87 -1.27 5.02 0.09 -1.26 -4.98 115.29 114.71 1cf3 s HIS 559 Ca 0.28 1.78 0.27 0.00 -0.00 0.00 0.00 55.06 57.39 1cf3 s HIS 559 Cb -0.00 -2.97 0.81 0.00 -0.00 0.00 0.00 32.58 30.42 1cf3 s HIS 559 CO -0.00 0.34 1.61 1.33 -0.00 0.00 0.00 174.74 178.02 1cf3 n VAL 560 N 2.22 0.00 -0.33 -0.90 0.24 -1.26 -4.26 118.33 114.04 1cf3 n VAL 560 Ca -0.01 -0.04 -0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1cf3 n VAL 560 Cb 0.49 0.09 0.13 0.00 -1.47 0.00 0.00 33.84 33.07 1cf3 n VAL 560 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1cf3 h MET 561 N 0.34 1.07 -0.87 7.34 2.86 -1.87 -0.33 114.93 123.46 1cf3 h MET 561 Ca 0.00 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.63 1cf3 h MET 561 Cb 0.47 -0.24 -0.05 0.00 0.06 0.00 0.00 31.60 31.84 1cf3 h MET 561 CO 0.00 0.71 0.57 1.79 1.06 0.00 0.00 176.91 181.04 1cf3 h THR 562 N 1.10 1.10 0.14 2.22 1.35 -1.76 -1.71 112.91 115.35 1cf3 h THR 562 Ca 0.37 -0.35 -0.29 0.00 -0.55 0.00 0.00 66.41 65.59 1cf3 h THR 562 Cb 0.06 -0.02 0.03 0.00 -1.73 0.00 0.00 68.15 66.49 1cf3 h THR 562 CO -0.14 0.19 -1.22 0.58 -0.25 0.00 0.00 175.52 174.68 1cf3 h VAL 563 N 1.03 1.31 -0.37 6.82 2.07 -1.65 -3.16 116.25 122.30 1cf3 h VAL 563 Ca 0.36 -2.48 -0.08 0.00 0.82 0.00 0.00 66.70 65.32 1cf3 h VAL 563 Cb 0.12 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 1cf3 h VAL 563 CO -0.12 0.75 -0.09 -0.26 0.02 0.00 0.00 177.57 177.87 1cf3 h PHE 564 N 0.18 0.67 -0.56 1.57 -1.00 -0.88 0.16 116.94 117.09 1cf3 h PHE 564 Ca -0.19 -0.10 -0.08 0.00 2.81 0.00 0.00 57.97 60.40 1cf3 h PHE 564 Cb 1.91 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 41.27 1cf3 h PHE 564 CO 0.13 0.70 0.02 1.88 -1.61 0.00 0.00 178.31 179.43 1cf3 h TYR 565 N 0.58 1.05 -0.49 -0.55 0.05 -1.43 -1.94 116.97 114.24 1cf3 h TYR 565 Ca 0.11 -0.18 -0.04 0.00 0.05 0.00 0.00 58.73 58.67 1cf3 h TYR 565 Cb 0.50 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 1cf3 h TYR 565 CO 0.02 0.95 0.14 0.00 -1.05 0.00 0.00 178.16 178.22 1cf3 h ALA 566 N 0.97 0.64 -0.43 3.88 0.00 -1.43 -2.55 119.26 120.34 1cf3 h ALA 566 Ca 0.16 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1cf3 h ALA 566 Cb 0.51 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1cf3 h ALA 566 CO 0.02 0.31 0.15 1.98 0.00 0.00 0.00 179.25 181.72 1cf3 h MET 567 N 0.66 0.31 -0.58 0.00 1.85 -0.53 0.22 114.93 116.86 1cf3 h MET 567 Ca 0.16 -0.02 -0.06 0.00 -0.61 0.00 0.00 59.70 59.17 1cf3 h MET 567 Cb 0.29 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.23 1cf3 h MET 567 CO -0.00 0.20 0.14 0.00 -0.40 0.00 0.00 176.91 176.85 1cf3 h ALA 568 N 1.28 0.77 -0.44 0.39 0.00 -1.23 -0.39 119.26 119.64 1cf3 h ALA 568 Ca 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1cf3 h ALA 568 Cb 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1cf3 h ALA 568 CO -0.21 0.48 0.18 -0.07 0.00 0.00 0.00 179.25 179.63 1cf3 h LEU 569 N 0.84 0.60 -0.63 0.00 3.38 -1.01 0.69 115.31 119.18 1cf3 h LEU 569 Ca 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1cf3 h LEU 569 Cb 0.36 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1cf3 h LEU 569 CO 0.00 0.60 0.28 0.50 0.09 0.00 0.00 178.44 179.91 1cf3 h LYS 570 N 0.57 0.92 -0.41 1.13 3.64 -0.81 -1.84 116.57 119.77 1cf3 h LYS 570 Ca 0.15 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1cf3 h LYS 570 Cb 0.18 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1cf3 h LYS 570 CO -0.01 0.76 -0.19 0.82 -2.27 0.00 0.00 179.45 178.56 1cf3 h ILE 571 N 0.87 1.27 -0.92 2.00 2.04 -0.94 -2.94 117.51 118.89 1cf3 h ILE 571 Ca 0.21 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 1cf3 h ILE 571 Cb 0.16 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1cf3 h ILE 571 CO -0.02 0.44 0.53 0.28 0.00 0.00 0.00 178.15 179.38 1cf3 h SER 572 N 0.71 1.13 -0.82 1.72 0.02 -0.53 -1.44 113.55 114.34 1cf3 h SER 572 Ca 0.10 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1cf3 h SER 572 Cb 0.69 -0.29 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 1cf3 h SER 572 CO 0.05 0.88 0.52 0.44 -1.14 0.00 0.00 176.83 177.58 1cf3 h ASP 573 N 1.28 0.84 -0.75 3.07 3.32 -1.17 -1.15 116.42 121.87 1cf3 h ASP 573 Ca 0.33 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.36 1cf3 h ASP 573 Cb -0.02 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 1cf3 h ASP 573 CO -0.06 0.57 0.37 0.00 -1.72 0.00 0.00 179.24 178.40 1cf3 h ALA 574 N 1.36 0.96 -0.67 3.45 0.00 -1.25 -1.97 119.26 121.14 1cf3 h ALA 574 Ca 0.34 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1cf3 h ALA 574 Cb 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1cf3 h ALA 574 CO -0.13 0.52 0.27 0.82 0.00 0.00 0.00 179.25 180.72 1cf3 h ILE 575 N 1.04 1.24 -0.76 0.00 2.04 -1.00 -2.37 117.51 117.71 1cf3 h ILE 575 Ca 0.26 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 1cf3 h ILE 575 Cb 0.10 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 1cf3 h ILE 575 CO -0.03 0.30 0.36 -0.07 0.00 0.00 0.00 178.15 178.71 1cf3 h LEU 576 N 0.95 0.98 -0.26 1.44 3.38 -0.67 -0.52 115.31 120.61 1cf3 h LEU 576 Ca 0.22 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1cf3 h LEU 576 Cb 0.21 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1cf3 h LEU 576 CO -0.02 0.83 0.07 -0.33 0.09 0.00 0.00 178.44 179.08 1cf3 h GLU 577 N 1.08 0.40 -0.23 1.13 5.08 -1.23 -2.69 114.58 118.11 1cf3 h GLU 577 Ca 0.26 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1cf3 h GLU 577 Cb 0.11 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1cf3 h GLU 577 CO -0.03 0.48 -0.05 -0.44 -1.00 0.00 0.00 179.01 177.97 1cf3 h ASP 578 N 0.24 0.33 -0.86 1.42 3.32 -1.10 -1.63 116.42 118.14 1cf3 h ASP 578 Ca 0.08 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1cf3 h ASP 578 Cb 0.25 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1cf3 h ASP 578 CO -0.00 0.43 0.49 0.22 -1.72 0.00 0.00 179.24 178.66 1cf3 h TYR 579 N 0.34 1.16 0.00 4.55 3.20 -0.91 -1.33 116.97 123.99 1cf3 h TYR 579 Ca 0.07 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 1cf3 h TYR 579 Cb 0.31 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1cf3 h TYR 579 CO 0.01 0.79 -0.41 0.00 -1.64 0.00 0.00 178.16 176.91 1cf3 h ALA 580 N 1.27 0.86 0.00 1.82 0.00 -1.00 -3.05 119.26 119.15 1cf3 h ALA 580 Ca 0.31 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1cf3 h ALA 580 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1cf3 h ALA 580 CO -0.05 0.51 -0.42 0.77 0.00 0.00 0.00 179.25 180.05 1cf3 h SER 581 N 0.00 0.00 -1.96 0.00 0.02 -0.61 -3.33 113.55 107.67 1cf3 h SER 581 Ca -0.00 0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 60.22 1cf3 h SER 581 Cb 1.09 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.31 1cf3 h SER 581 CO 0.05 0.42 0.57 0.23 -1.14 0.00 0.00 176.83 176.97 1cf3 n MET 582 N -3.44 3.39 0.00 3.45 2.81 -0.57 -5.08 117.12 117.68 1cf3 n MET 582 Ca 0.00 -4.01 0.06 0.00 -1.81 0.00 0.00 57.70 51.94 1cf3 n MET 582 Cb 0.58 -2.30 0.05 0.00 -0.71 0.00 0.00 33.22 30.84 1cf3 n MET 582 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52