#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f29 s LEU 6 N 0.00 4.37 -0.13 3.41 1.43 -1.26 -5.03 118.68 121.47 3f29 s LEU 6 Ca 0.00 2.84 -0.00 0.00 -1.03 0.00 0.00 54.13 55.94 3f29 s LEU 6 Cb 0.00 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 3f29 s LEU 6 CO 0.00 -0.74 -0.12 -0.54 0.23 0.00 0.00 176.35 175.18 3f29 s LYS 7 N -1.43 3.38 0.59 1.70 -0.14 -1.26 -5.11 119.74 117.47 3f29 s LYS 7 Ca 0.54 -0.67 -0.18 0.00 -1.36 0.00 0.00 55.97 54.30 3f29 s LYS 7 Cb -0.44 -2.65 -0.03 0.00 -1.68 0.00 0.00 37.83 33.03 3f29 s LYS 7 CO 0.54 0.24 1.17 -1.25 -0.76 0.00 0.00 175.35 175.29 3f29 s PRO 8 N 0.29 3.02 0.34 -1.68 0.04 -1.26 -4.85 135.00 130.89 3f29 s PRO 8 Ca -0.09 1.71 0.07 0.00 0.04 0.00 0.00 61.00 62.73 3f29 s PRO 8 Cb -0.15 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 3f29 s PRO 8 CO 0.05 -1.14 0.33 0.14 0.04 0.00 0.00 177.00 176.42 3f29 s VAL 9 N -1.75 3.66 -0.72 -0.36 -7.23 -1.26 -5.05 120.40 107.69 3f29 s VAL 9 Ca 0.75 -1.29 -0.27 0.00 -1.81 0.00 0.00 61.98 59.36 3f29 s VAL 9 Cb -0.27 -3.24 0.03 0.00 0.56 0.00 0.00 36.38 33.46 3f29 s VAL 9 CO 0.33 -0.17 1.28 -0.62 -0.31 0.00 0.00 175.10 175.61 3f29 s ASP 10 N -4.03 6.17 0.47 4.85 2.15 -1.26 -4.84 116.67 120.18 3f29 s ASP 10 Ca 0.42 -0.39 0.18 0.00 0.43 0.00 0.00 52.55 53.19 3f29 s ASP 10 Cb -0.07 -2.56 1.14 0.00 -0.30 0.00 0.00 42.92 41.14 3f29 s ASP 10 CO 0.28 -1.81 2.02 0.00 -0.17 0.00 0.00 175.17 175.48 3f29 h ALA 11 N 10.05 1.60 -0.93 3.66 0.00 -2.00 -2.47 119.26 129.17 3f29 h ALA 11 Ca -0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3f29 h ALA 11 Cb 1.05 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 3f29 h ALA 11 CO 1.27 0.20 0.57 1.98 0.00 0.00 0.00 179.25 183.27 3f29 h MET 12 N 0.00 1.26 -0.24 0.00 -1.53 -1.98 0.14 114.93 112.58 3f29 h MET 12 Ca -0.00 -0.11 0.02 0.00 -3.44 0.00 0.00 59.70 56.17 3f29 h MET 12 Cb 0.31 -0.27 -0.02 0.00 -0.55 0.00 0.00 31.60 31.07 3f29 h MET 12 CO 0.02 0.87 0.11 0.37 0.14 0.00 0.00 176.91 178.42 3f29 h GLN 13 N 1.28 0.22 -0.29 0.39 4.15 -1.86 -2.20 115.11 116.81 3f29 h GLN 13 Ca 0.34 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.80 3f29 h GLN 13 Cb -0.07 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.52 3f29 h GLN 13 CO -0.06 0.15 -0.04 0.00 -1.93 0.00 0.00 178.83 176.94 3f29 h PHE 15 N 0.03 0.00 -0.37 0.00 0.04 -0.31 -1.05 116.94 115.28 3f29 h PHE 15 Ca 0.14 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.95 3f29 h PHE 15 Cb 0.20 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 3f29 h PHE 15 CO -0.25 0.07 0.25 0.22 -0.60 0.00 0.00 178.31 178.00 3f29 h ASP 16 N 0.00 0.27 0.00 2.17 3.58 -1.24 -2.71 116.42 118.49 3f29 h ASP 16 Ca -0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3f29 h ASP 16 Cb 0.23 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.22 3f29 h ASP 16 CO 0.01 0.19 -1.50 0.00 -2.88 0.00 0.00 179.24 175.05 3f29 n HIS 18 N -1.90 3.50 -0.13 0.00 8.25 -0.51 -4.90 115.22 119.52 3f29 n HIS 18 Ca -0.01 -4.17 -0.11 0.00 -0.26 0.00 0.00 57.72 53.17 3f29 n HIS 18 Cb 0.39 -0.66 0.01 0.00 1.12 0.00 0.00 29.99 30.85 3f29 n HIS 18 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3f29 h THR 19 N 3.74 1.27 -0.62 1.59 2.02 -1.88 -1.71 112.91 117.33 3f29 h THR 19 Ca 0.18 -1.46 0.02 0.00 0.77 0.00 0.00 66.41 65.92 3f29 h THR 19 Cb 0.71 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 3f29 h THR 19 CO 0.81 0.49 0.39 1.56 0.37 0.00 0.00 175.52 179.14 3f29 h GLN 20 N 0.78 0.75 -0.27 6.66 4.20 -1.93 -0.72 115.11 124.59 3f29 h GLN 20 Ca 0.09 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 3f29 h GLN 20 Cb 0.87 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3f29 h GLN 20 CO 0.08 0.49 -0.00 0.82 -0.67 0.00 0.00 178.83 179.55 3f29 h ILE 21 N 0.77 1.26 -0.58 2.54 1.08 -1.93 -2.62 117.51 118.02 3f29 h ILE 21 Ca 0.25 -0.92 0.11 0.00 -0.39 0.00 0.00 64.86 63.91 3f29 h ILE 21 Cb 0.01 1.33 -0.09 0.00 -3.07 0.00 0.00 36.82 34.99 3f29 h ILE 21 CO -0.10 0.29 0.05 -0.08 -0.69 0.00 0.00 178.15 177.63 3f29 h GLU 22 N 0.25 0.17 -0.43 2.37 4.81 -0.98 0.44 114.58 121.20 3f29 h GLU 22 Ca 0.08 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3f29 h GLU 22 Cb 0.42 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 3f29 h GLU 22 CO 0.01 0.11 0.16 -0.44 -0.73 0.00 0.00 179.01 178.13 3f29 h ASP 23 N 0.17 0.56 0.02 1.04 3.32 -0.99 -1.93 116.42 118.61 3f29 h ASP 23 Ca 0.30 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 3f29 h ASP 23 Cb 0.47 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 3f29 h ASP 23 CO -0.45 0.52 -0.38 0.24 -1.72 0.00 0.00 179.24 177.45 3f29 h MET 24 N 0.62 0.04 -0.39 3.56 2.86 -0.91 -3.37 114.93 117.33 3f29 h MET 24 Ca 0.15 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 3f29 h MET 24 Cb 0.14 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3f29 h MET 24 CO -0.01 1.04 0.00 1.25 1.06 0.00 0.00 176.91 180.24 3f29 h HIS 25 N -0.90 0.76 0.00 -0.22 -0.00 -0.16 -2.77 115.15 111.86 3f29 h HIS 25 Ca -0.09 -0.13 -0.00 0.00 -0.00 0.00 0.00 60.37 60.14 3f29 h HIS 25 Cb 1.16 -0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 28.37 3f29 h HIS 25 CO 0.23 0.78 -0.01 1.79 -0.00 0.00 0.00 177.93 180.71 3f29 h THR 26 N 0.52 0.04 0.02 6.26 1.35 -1.55 -3.08 112.91 116.47 3f29 h THR 26 Ca 0.11 -0.52 -0.36 0.00 -0.55 0.00 0.00 66.41 65.09 3f29 h THR 26 Cb 0.47 1.50 -0.06 0.00 -1.73 0.00 0.00 68.15 68.33 3f29 h THR 26 CO 0.02 0.01 -2.25 0.52 -0.25 0.00 0.00 175.52 173.58 3f29 n VAL 27 N -3.11 1.52 -1.38 6.82 0.31 -1.18 -4.81 118.33 116.50 3f29 n VAL 27 Ca 0.00 -0.72 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 3f29 n VAL 27 Cb 0.30 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 3f29 n VAL 27 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f29 n GLY 28 N 1.92 -0.38 0.12 2.92 0.00 -1.05 -4.95 105.19 103.77 3f29 n GLY 28 Ca -0.34 -1.77 0.13 0.00 0.00 0.00 0.00 46.02 44.03 3f29 n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f29 n LYS 29 N -0.91 1.16 -0.67 1.61 5.02 -1.07 -2.80 118.16 120.50 3f29 n LYS 29 Ca 0.00 -0.24 0.08 0.00 -2.02 0.00 0.00 58.31 56.13 3f29 n LYS 29 Cb 0.00 -1.43 0.33 0.00 -0.02 0.00 0.00 35.03 33.92 3f29 n LYS 29 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3f29 n HIS 30 N -0.65 1.52 0.15 2.13 8.25 -1.26 -4.68 115.22 120.68 3f29 n HIS 30 Ca 0.20 -0.80 0.15 0.00 -0.26 0.00 0.00 57.72 57.01 3f29 n HIS 30 Cb 0.15 -0.41 0.71 0.00 1.12 0.00 0.00 29.99 31.56 3f29 n HIS 30 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3f29 h ALA 31 N 2.92 2.14 -0.02 -1.41 0.00 -1.43 -0.90 119.26 120.56 3f29 h ALA 31 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3f29 h ALA 31 Cb 1.71 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3f29 h ALA 31 CO 0.36 -0.32 -0.09 0.25 0.00 0.00 0.00 179.25 179.45 3f29 n THR 32 N -4.29 0.00 -3.00 0.00 -2.24 -1.26 -4.88 114.28 98.61 3f29 n THR 32 Ca 0.03 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 3f29 n THR 32 Cb 0.34 1.05 -0.06 0.00 -2.10 0.00 0.00 70.33 69.56 3f29 n THR 32 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3f29 s VAL 33 N -2.11 4.76 0.45 2.28 1.01 -0.34 -5.03 120.40 121.41 3f29 s VAL 33 Ca 0.29 0.72 -0.23 0.00 0.00 0.00 0.00 61.98 62.76 3f29 s VAL 33 Cb 0.20 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 3f29 s VAL 33 CO 0.37 -0.46 1.10 0.21 0.00 0.00 0.00 175.10 176.32 3f29 s ASN 34 N 1.89 6.38 0.53 3.32 3.84 -1.26 -4.91 114.94 124.72 3f29 s ASN 34 Ca 0.29 2.15 0.26 0.00 0.21 0.00 0.00 52.86 55.77 3f29 s ASN 34 Cb -0.13 -2.59 1.40 0.00 -0.55 0.00 0.00 41.25 39.38 3f29 s ASN 34 CO 0.17 -0.76 1.98 0.00 -2.79 0.00 0.00 177.10 175.71 3f29 h VAL 36 N 0.01 0.15 0.00 0.00 3.04 -1.89 0.53 116.25 118.08 3f29 h VAL 36 Ca 0.27 -0.09 -0.01 0.00 -1.01 0.00 0.00 66.70 65.87 3f29 h VAL 36 Cb 1.08 1.07 -0.00 0.00 -2.01 0.00 0.00 31.29 31.43 3f29 h VAL 36 CO -0.00 0.01 -0.03 0.45 -1.01 0.00 0.00 177.57 176.99 3f29 h HIS 37 N 0.00 0.00 0.00 3.17 3.86 -1.77 -3.33 115.15 117.08 3f29 h HIS 37 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3f29 h HIS 37 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 3f29 h HIS 37 CO 0.00 0.03 -0.09 0.00 0.86 0.00 0.00 177.93 178.73 3f29 s HIS 39 N -0.44 1.24 -0.38 0.00 3.76 0.06 -0.10 115.29 119.44 3f29 s HIS 39 Ca 0.00 -0.27 -0.01 0.00 -0.15 0.00 0.00 55.06 54.64 3f29 s HIS 39 Cb 0.00 -0.81 0.10 0.00 1.11 0.00 0.00 32.58 32.98 3f29 s HIS 39 CO 0.00 -0.05 0.14 0.34 -0.85 0.00 0.00 174.74 174.31 3f29 s ASP 40 N -0.18 5.08 -0.09 1.40 2.15 -0.06 -4.21 116.67 120.76 3f29 s ASP 40 Ca 0.03 -1.97 0.14 0.00 0.43 0.00 0.00 52.55 51.17 3f29 s ASP 40 Cb -0.07 -1.76 0.21 0.00 -0.30 0.00 0.00 42.92 41.00 3f29 s ASP 40 CO 0.00 -0.46 1.09 0.00 -0.17 0.00 0.00 175.17 175.63 3f29 n ALA 41 N 4.50 2.16 0.17 3.66 0.00 -1.26 -1.12 120.51 128.63 3f29 n ALA 41 Ca -0.02 -2.15 -0.15 0.00 0.00 0.00 0.00 53.44 51.13 3f29 n ALA 41 Cb 0.42 -0.34 -0.07 0.00 0.00 0.00 0.00 19.45 19.46 3f29 n ALA 41 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3f29 h THR 42 N 1.01 0.24 -0.24 0.00 2.02 -1.98 0.12 112.91 114.08 3f29 h THR 42 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3f29 h THR 42 Cb 0.99 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3f29 h THR 42 CO 0.00 0.00 -0.16 -0.33 0.37 0.00 0.00 175.52 175.40 3f29 h GLU 43 N -0.68 0.41 -0.08 6.66 5.08 -1.94 -2.60 114.58 121.42 3f29 h GLU 43 Ca 0.00 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3f29 h GLU 43 Cb 0.66 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 3f29 h GLU 43 CO -0.15 0.57 -0.13 1.25 -1.00 0.00 0.00 179.01 179.55 3f29 h HIS 44 N 0.38 -0.32 -0.34 4.33 2.76 -1.59 -2.68 115.15 117.69 3f29 h HIS 44 Ca 0.07 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 3f29 h HIS 44 Cb 0.51 0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.61 3f29 h HIS 44 CO 0.01 -0.19 0.17 0.28 -1.30 0.00 0.00 177.93 176.90 3f29 h VAL 45 N -0.17 1.12 0.00 5.26 2.07 -0.44 0.27 116.25 124.36 3f29 h VAL 45 Ca 0.07 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3f29 h VAL 45 Cb 0.28 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3f29 h VAL 45 CO -0.19 0.14 0.00 -0.33 0.02 0.00 0.00 177.57 177.21 3f29 h GLU 46 N 0.47 0.00 0.00 1.57 5.08 -1.17 -3.37 114.58 117.16 3f29 h GLU 46 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3f29 h GLU 46 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3f29 h GLU 46 CO -0.02 0.00 -0.67 0.25 -1.00 0.00 0.00 179.01 177.57 3f29 n THR 47 N -3.06 0.00 -1.23 1.13 -2.24 -0.87 -5.07 114.28 102.94 3f29 n THR 47 Ca 0.01 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.47 3f29 n THR 47 Cb 0.35 0.14 0.10 0.00 -2.10 0.00 0.00 70.33 68.82 3f29 n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f29 s ALA 48 N -1.41 2.06 0.26 6.98 0.00 0.03 -4.39 121.76 125.30 3f29 s ALA 48 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.47 3f29 s ALA 48 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3f29 s ALA 48 CO 0.00 -1.96 0.00 -1.13 0.00 0.00 0.00 175.76 172.67 3f29 n SER 49 N -3.38 2.73 -0.24 0.00 3.41 -0.23 -4.93 113.62 110.97 3f29 n SER 49 Ca 0.11 -2.15 0.16 0.00 -0.26 0.00 0.00 58.87 56.73 3f29 n SER 49 Cb 0.52 0.18 0.47 0.00 -0.26 0.00 0.00 64.21 65.12 3f29 n SER 49 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3f29 h SER 50 N 0.63 0.49 0.00 4.04 0.02 -1.98 -3.21 113.55 113.54 3f29 h SER 50 Ca -0.22 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3f29 h SER 50 Cb 0.66 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3f29 h SER 50 CO 0.36 0.22 0.00 -2.11 -1.14 0.00 0.00 176.83 174.16 3f29 n ARG 51 N -4.53 -0.33 -5.22 3.45 1.85 -1.26 -5.01 116.66 105.62 3f29 n ARG 51 Ca 0.18 -0.30 -0.32 0.00 -1.00 0.00 0.00 57.85 56.42 3f29 n ARG 51 Cb 0.60 -0.74 -0.16 0.00 -1.05 0.00 0.00 32.46 31.12 3f29 n ARG 51 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3f29 s ARG 52 N -0.04 2.42 0.35 2.89 1.81 -1.22 -4.31 118.95 120.85 3f29 s ARG 52 Ca 0.00 -0.88 0.09 0.00 -1.72 0.00 0.00 55.73 53.22 3f29 s ARG 52 Cb 0.00 -2.16 0.65 0.00 -0.45 0.00 0.00 34.95 32.98 3f29 s ARG 52 CO 0.00 0.47 1.82 1.98 -0.68 0.00 0.00 175.30 178.89 3f29 h MET 53 N 5.79 0.19 0.00 3.54 4.05 -1.93 -0.58 114.93 125.99 3f29 h MET 53 Ca -0.37 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 3f29 h MET 53 Cb 1.15 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 3f29 h MET 53 CO 0.48 0.47 0.00 0.41 0.23 0.00 0.00 176.91 178.49 3f29 n GLY 54 N -0.53 2.03 3.76 1.39 0.00 -1.26 -3.95 105.19 106.63 3f29 n GLY 54 Ca -0.01 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3f29 n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f29 s GLU 55 N 0.00 4.31 -0.01 1.61 0.41 -1.26 -4.93 118.70 118.83 3f29 s GLU 55 Ca 0.00 2.26 -0.30 0.00 -0.41 0.00 0.00 54.97 56.52 3f29 s GLU 55 Cb 0.00 -3.09 -0.03 0.00 -1.78 0.00 0.00 34.13 29.23 3f29 s GLU 55 CO 0.00 -0.29 1.09 0.50 -0.49 0.00 0.00 175.26 176.07 3f29 s ARG 56 N -1.24 4.46 0.69 1.61 3.52 -1.26 -3.96 118.95 122.78 3f29 s ARG 56 Ca 0.53 1.56 -0.13 0.00 -0.13 0.00 0.00 55.73 57.56 3f29 s ARG 56 Cb -0.41 -3.46 0.02 0.00 -1.56 0.00 0.00 34.95 29.54 3f29 s ARG 56 CO 0.49 -0.23 1.09 -1.25 -0.81 0.00 0.00 175.30 174.60 3f29 s PRO 57 N 1.44 2.69 0.03 5.12 0.04 -1.26 -4.79 135.00 138.27 3f29 s PRO 57 Ca 0.54 1.25 -0.24 0.00 0.04 0.00 0.00 61.00 62.60 3f29 s PRO 57 Cb -0.24 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 3f29 s PRO 57 CO 0.25 -1.32 0.71 0.08 0.04 0.00 0.00 177.00 176.77 3f29 s VAL 58 N -2.61 4.78 -0.14 -0.36 1.01 -0.27 -4.92 120.40 117.88 3f29 s VAL 58 Ca 0.64 1.51 0.02 0.00 0.00 0.00 0.00 61.98 64.15 3f29 s VAL 58 Cb -0.18 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.15 3f29 s VAL 58 CO 0.47 0.38 -0.20 -0.89 0.00 0.00 0.00 175.10 174.87 3f29 s THR 59 N -0.11 1.91 0.02 3.92 2.01 -1.26 -0.88 115.64 121.25 3f29 s THR 59 Ca 0.36 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 3f29 s THR 59 Cb -0.20 -1.72 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 3f29 s THR 59 CO 0.21 0.52 1.26 -0.13 -0.69 0.00 0.00 174.62 175.80 3f29 s ARG 60 N 1.02 4.36 0.00 4.92 0.52 0.86 -4.90 118.95 125.74 3f29 s ARG 60 Ca -0.03 1.81 0.10 0.00 -0.52 0.00 0.00 55.73 57.10 3f29 s ARG 60 Cb -0.15 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 31.84 3f29 s ARG 60 CO -0.05 -0.41 0.60 -1.33 0.02 0.00 0.00 175.30 174.13 3f29 n MET 61 N 4.67 2.41 -2.30 3.54 2.81 -1.26 -4.97 117.12 122.02 3f29 n MET 61 Ca 0.11 -0.48 -0.37 0.00 -1.81 0.00 0.00 57.70 55.14 3f29 n MET 61 Cb 0.45 -1.07 -0.02 0.00 -0.71 0.00 0.00 33.22 31.88 3f29 n MET 61 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3f29 s ASP 62 N -1.53 6.32 0.49 7.83 -4.77 -1.26 -4.88 116.67 118.87 3f29 s ASP 62 Ca 0.08 2.28 0.28 0.00 -3.30 0.00 0.00 52.55 51.89 3f29 s ASP 62 Cb 0.08 -2.60 1.10 0.00 -1.09 0.00 0.00 42.92 40.41 3f29 s ASP 62 CO 0.30 -0.81 1.89 -0.07 0.70 0.00 0.00 175.17 177.18 3f29 h LEU 63 N 2.23 0.00 -0.95 2.11 4.07 -1.94 -2.60 115.31 118.24 3f29 h LEU 63 Ca -0.49 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.47 3f29 h LEU 63 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 3f29 h LEU 63 CO 0.61 0.11 0.00 -0.62 -1.08 0.00 0.00 178.44 177.46 3f29 n GLU 64 N -3.25 0.19 0.16 1.13 1.02 -1.26 -1.64 120.64 116.99 3f29 n GLU 64 Ca 0.00 0.49 0.06 0.00 -0.02 0.00 0.00 57.16 57.70 3f29 n GLU 64 Cb 0.38 -1.92 0.56 0.00 -0.02 0.00 0.00 31.44 30.43 3f29 n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3f29 h ALA 65 N 2.18 1.89 0.00 0.62 0.00 -1.81 -2.56 119.26 119.58 3f29 h ALA 65 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3f29 h ALA 65 Cb 0.27 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3f29 h ALA 65 CO 0.00 0.10 -1.52 0.00 0.00 0.00 0.00 179.25 177.83 3f29 h ALA 67 N 1.50 1.03 -0.61 0.00 0.00 -1.12 -0.86 119.26 119.19 3f29 h ALA 67 Ca -0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3f29 h ALA 67 Cb 1.53 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 3f29 h ALA 67 CO 0.03 0.05 0.37 0.00 0.00 0.00 0.00 179.25 179.70 3f29 h THR 68 N 0.00 1.18 -0.00 0.00 1.03 -1.74 -2.54 112.91 110.84 3f29 h THR 68 Ca -0.00 -0.40 0.00 0.00 -0.01 0.00 0.00 66.41 66.00 3f29 h THR 68 Cb 0.46 0.34 0.00 0.00 -1.07 0.00 0.00 68.15 67.88 3f29 h THR 68 CO 0.01 0.19 -0.64 0.00 -0.01 0.00 0.00 175.52 175.06 3f29 n HIS 70 N -1.23 1.91 -0.35 0.00 8.25 -0.35 -4.93 115.22 118.52 3f29 n HIS 70 Ca 0.03 -3.33 0.01 0.00 -0.26 0.00 0.00 57.72 54.17 3f29 n HIS 70 Cb 0.23 -0.34 0.15 0.00 1.12 0.00 0.00 29.99 31.15 3f29 n HIS 70 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3f29 h THR 71 N 2.39 1.12 -0.26 1.59 2.02 -1.68 -2.20 112.91 115.89 3f29 h THR 71 Ca 0.08 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.86 3f29 h THR 71 Cb 0.95 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3f29 h THR 71 CO 0.63 0.21 0.17 0.00 0.37 0.00 0.00 175.52 176.90 3f29 h ALA 72 N 1.41 0.33 -0.51 6.16 0.00 -1.91 0.98 119.26 125.72 3f29 h ALA 72 Ca 0.40 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 3f29 h ALA 72 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3f29 h ALA 72 CO -0.15 -0.18 -0.08 1.96 0.00 0.00 0.00 179.25 180.80 3f29 h GLN 73 N 0.34 0.95 0.01 0.00 7.50 -1.84 -1.82 115.11 120.25 3f29 h GLN 73 Ca 0.09 -0.34 -0.00 0.00 0.50 0.00 0.00 58.65 58.90 3f29 h GLN 73 Cb -0.02 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.45 3f29 h GLN 73 CO -0.02 1.01 -0.00 0.35 -1.50 0.00 0.00 178.83 178.67 3f29 h PHE 74 N 0.82 -0.01 -0.74 2.96 3.57 -1.13 -0.42 116.94 121.98 3f29 h PHE 74 Ca 0.13 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 3f29 h PHE 74 Cb 0.63 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 3f29 h PHE 74 CO 0.05 0.02 0.32 -0.91 -2.23 0.00 0.00 178.31 175.56 3f29 h ASN 75 N -0.04 0.99 -0.30 0.41 2.35 -0.76 -1.15 115.58 117.09 3f29 h ASN 75 Ca -0.00 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 3f29 h ASN 75 Cb 0.04 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3f29 h ASN 75 CO 0.00 0.86 0.16 -1.28 -1.65 0.00 0.00 177.43 175.52 3f29 h SER 76 N 1.07 0.37 -0.69 5.81 0.87 -1.24 -2.92 113.55 116.81 3f29 h SER 76 Ca 0.25 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3f29 h SER 76 Cb 0.16 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 3f29 h SER 76 CO -0.03 0.36 0.42 0.15 -0.53 0.00 0.00 176.83 177.20 3f29 h PHE 77 N 0.36 0.90 -0.00 2.24 3.57 -0.37 -3.07 116.94 120.57 3f29 h PHE 77 Ca 0.10 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3f29 h PHE 77 Cb 0.07 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.51 3f29 h PHE 77 CO -0.03 0.60 -0.05 1.33 -2.23 0.00 0.00 178.31 177.93 3f29 n VAL 78 N -4.56 0.00 -1.67 1.41 0.24 -0.50 -4.59 118.33 108.66 3f29 n VAL 78 Ca 0.06 -0.02 -0.44 0.00 -2.04 0.00 0.00 64.34 61.90 3f29 n VAL 78 Cb 0.05 -0.34 -0.02 0.00 -1.47 0.00 0.00 33.84 32.06 3f29 n VAL 78 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3f29 n GLU 79 N -1.20 1.99 -3.65 7.34 2.13 -1.11 -4.57 120.64 121.57 3f29 n GLU 79 Ca 0.14 0.70 -0.37 0.00 0.66 0.00 0.00 57.16 58.29 3f29 n GLU 79 Cb 0.26 -2.32 -0.10 0.00 0.27 0.00 0.00 31.44 29.56 3f29 n GLU 79 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3f29 s VAL 80 N -0.42 5.35 -0.73 6.31 1.01 -1.26 -4.83 120.40 125.82 3f29 s VAL 80 Ca 0.64 0.18 -0.25 0.00 0.00 0.00 0.00 61.98 62.54 3f29 s VAL 80 Cb -0.64 -3.50 0.04 0.00 0.00 0.00 0.00 36.38 32.29 3f29 s VAL 80 CO 0.54 0.33 1.19 -0.60 0.00 0.00 0.00 175.10 176.56 3f29 s ARG 81 N 1.17 3.19 0.50 2.72 3.52 -1.26 -4.88 118.95 123.91 3f29 s ARG 81 Ca 0.07 -0.49 0.25 0.00 -0.13 0.00 0.00 55.73 55.44 3f29 s ARG 81 Cb -0.14 -4.26 1.31 0.00 -1.56 0.00 0.00 34.95 30.29 3f29 s ARG 81 CO 0.06 -2.05 2.02 0.45 -0.81 0.00 0.00 175.30 174.97 3f29 h HIS 82 N 9.86 0.00 0.00 5.12 3.86 -2.02 -1.54 115.15 130.43 3f29 h HIS 82 Ca -0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 3f29 h HIS 82 Cb 1.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.52 3f29 h HIS 82 CO 1.09 0.15 0.00 0.39 0.86 0.00 0.00 177.93 180.42 3f29 n GLU 83 N -3.70 0.21 -2.60 2.45 4.71 -1.26 -4.34 120.64 116.11 3f29 n GLU 83 Ca -0.02 0.39 -0.41 0.00 -0.01 0.00 0.00 57.16 57.11 3f29 n GLU 83 Cb 0.27 -1.87 -0.03 0.00 -1.01 0.00 0.00 31.44 28.80 3f29 n GLU 83 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 3f29 s SER 84 N -4.34 6.21 0.09 1.62 0.01 -0.58 -4.97 113.70 111.74 3f29 s SER 84 Ca 0.05 -0.67 -0.35 0.00 1.31 0.00 0.00 55.95 56.30 3f29 s SER 84 Cb 0.10 -2.54 -0.15 0.00 0.21 0.00 0.00 66.02 63.65 3f29 s SER 84 CO 0.43 -1.73 1.55 1.41 0.41 0.00 0.00 173.24 175.31 3f29 n HIS 85 N 9.03 2.06 -3.17 2.43 -0.00 -1.26 -4.84 115.22 119.46 3f29 n HIS 85 Ca 0.06 0.35 -0.34 0.00 -0.00 0.00 0.00 57.72 57.79 3f29 n HIS 85 Cb 0.49 -2.49 -0.06 0.00 -0.00 0.00 0.00 29.99 27.92 3f29 n HIS 85 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3f29 s PRO 86 N 1.25 4.09 -1.58 -0.41 0.04 -1.26 -4.31 135.00 132.82 3f29 s PRO 86 Ca 0.83 0.70 -0.16 0.00 0.04 0.00 0.00 61.00 62.41 3f29 s PRO 86 Cb -0.78 -2.69 0.12 0.00 0.04 0.00 0.00 34.50 31.20 3f29 s PRO 86 CO 0.43 0.30 0.82 -2.13 0.04 0.00 0.00 177.00 176.46 3f29 n ARG 87 N 0.23 -4.06 -3.16 4.56 3.00 -1.26 -4.91 116.66 111.06 3f29 n ARG 87 Ca -0.00 0.47 -0.43 0.00 -0.00 0.00 0.00 57.85 57.89 3f29 n ARG 87 Cb 0.52 -5.26 -0.07 0.00 0.00 0.00 0.00 32.46 27.65 3f29 n ARG 87 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3f29 s LEU 88 N -7.16 4.62 0.11 6.15 2.96 -1.26 -4.95 118.68 119.15 3f29 s LEU 88 Ca 0.67 -0.47 -0.31 0.00 -0.22 0.00 0.00 54.13 53.80 3f29 s LEU 88 Cb -0.35 -2.63 -0.08 0.00 0.50 0.00 0.00 46.19 43.62 3f29 s LEU 88 CO 0.83 -0.76 1.49 -0.70 -1.32 0.00 0.00 176.35 175.89 3f29 s GLU 89 N 2.67 4.26 0.36 1.98 2.56 -1.26 -0.36 118.70 128.92 3f29 s GLU 89 Ca 0.20 2.19 0.18 0.00 0.00 0.00 0.00 54.97 57.54 3f29 s GLU 89 Cb -0.15 -3.31 0.62 0.00 2.00 0.00 0.00 34.13 33.29 3f29 s GLU 89 CO 0.17 -0.55 1.70 0.87 -0.56 0.00 0.00 175.26 176.90 3f29 h LYS 90 N 7.14 0.00 -2.00 4.30 1.57 -1.02 -3.33 116.57 123.23 3f29 h LYS 90 Ca -0.42 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.22 3f29 h LYS 90 Cb 1.20 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 3f29 h LYS 90 CO 0.89 0.39 -0.28 0.00 -0.57 0.00 0.00 179.45 179.89 3f29 n ALA 91 N -2.29 5.71 -2.51 3.86 0.00 -1.26 -1.60 120.51 122.42 3f29 n ALA 91 Ca -0.00 -1.33 -0.15 0.00 0.00 0.00 0.00 53.44 51.97 3f29 n ALA 91 Cb 0.53 -1.96 -0.11 0.00 0.00 0.00 0.00 19.45 17.91 3f29 n ALA 91 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3f29 s THR 92 N 0.74 0.93 0.63 0.00 -4.23 -1.25 -4.84 115.64 107.61 3f29 s THR 92 Ca 0.49 -1.59 0.43 0.00 -1.18 0.00 0.00 61.69 59.83 3f29 s THR 92 Cb 0.23 -1.31 0.44 0.00 1.34 0.00 0.00 72.50 73.20 3f29 s THR 92 CO 0.00 -0.53 2.35 -0.65 -0.54 0.00 0.00 174.62 175.25 3f29 h PRO 93 N 3.65 0.00 -0.16 3.99 0.11 -1.89 -1.80 132.00 135.91 3f29 h PRO 93 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3f29 h PRO 93 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3f29 h PRO 93 CO 0.51 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.56 3f29 n THR 94 N -3.15 0.18 -2.05 -1.15 -2.24 -1.26 -4.83 114.28 99.78 3f29 n THR 94 Ca -0.03 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3f29 n THR 94 Cb 0.09 1.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 3f29 n THR 94 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3f29 n SER 95 N 1.40 0.48 0.07 3.42 2.88 -0.67 -5.05 113.62 116.15 3f29 n SER 95 Ca 0.16 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.64 3f29 n SER 95 Cb 0.60 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.17 3f29 n SER 95 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3f29 h ARG 96 N 0.00 0.31 -2.31 -1.46 2.47 -1.78 -3.40 114.38 108.20 3f29 h ARG 96 Ca 0.00 -0.21 -0.58 0.00 -1.26 0.00 0.00 59.98 57.94 3f29 h ARG 96 Cb 0.00 0.03 -0.37 0.00 -1.65 0.00 0.00 29.97 27.97 3f29 h ARG 96 CO 0.00 0.81 -0.97 0.45 0.56 0.00 0.00 179.97 180.82 3f29 n SER 97 N -3.89 -0.56 -0.02 7.04 2.88 -0.63 -4.92 113.62 113.51 3f29 n SER 97 Ca -0.03 -2.40 0.20 0.00 -1.33 0.00 0.00 58.87 55.32 3f29 n SER 97 Cb 0.61 -0.48 0.68 0.00 -0.75 0.00 0.00 64.21 64.27 3f29 n SER 97 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3f29 h PRO 98 N 5.55 0.03 -0.42 -1.46 0.11 -1.74 -1.68 132.00 132.39 3f29 h PRO 98 Ca 0.26 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.27 3f29 h PRO 98 Cb 0.91 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.96 3f29 h PRO 98 CO 0.36 0.02 0.06 -1.33 -0.21 0.00 0.00 178.00 176.90 3f29 n MET 99 N -4.38 3.02 -0.24 1.05 2.81 -1.26 -4.53 117.12 113.58 3f29 n MET 99 Ca 0.11 -2.99 -0.00 0.00 -1.81 0.00 0.00 57.70 53.00 3f29 n MET 99 Cb 0.62 -1.96 0.11 0.00 -0.71 0.00 0.00 33.22 31.29 3f29 n MET 99 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 3f29 h PHE 100 N 1.97 0.68 -0.74 2.03 3.57 -1.63 -2.30 116.94 120.53 3f29 h PHE 100 Ca 0.11 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3f29 h PHE 100 Cb 1.75 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 40.25 3f29 h PHE 100 CO 0.84 0.30 0.48 -0.44 -2.23 0.00 0.00 178.31 177.26 3f29 h ASP 101 N 0.67 0.85 -0.42 0.41 3.32 -1.85 0.12 116.42 119.51 3f29 h ASP 101 Ca 0.32 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.26 3f29 h ASP 101 Cb 0.25 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3f29 h ASP 101 CO -0.21 0.63 -0.03 0.50 -1.72 0.00 0.00 179.24 178.40 3f29 h LYS 102 N 1.00 0.77 -0.01 3.56 3.64 -1.85 -2.52 116.57 121.16 3f29 h LYS 102 Ca 0.27 -0.26 -0.18 0.00 -1.27 0.00 0.00 60.65 59.21 3f29 h LYS 102 Cb -0.10 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3f29 h LYS 102 CO -0.06 0.86 -0.79 -0.07 -2.27 0.00 0.00 179.45 177.13 3f29 h LEU 103 N 0.60 0.19 -1.95 5.20 4.07 -0.95 -3.22 115.31 119.26 3f29 h LEU 103 Ca 0.12 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3f29 h LEU 103 Cb 0.54 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.22 3f29 h LEU 103 CO 0.03 0.90 0.00 0.00 -1.08 0.00 0.00 178.44 178.29 3f29 n ILE 104 N -3.70 0.22 -1.65 1.22 0.13 0.36 -5.00 119.36 110.94 3f29 n ILE 104 Ca -0.03 -0.57 -0.52 0.00 -1.10 0.00 0.00 62.75 60.53 3f29 n ILE 104 Cb 0.75 1.12 -0.06 0.00 -0.84 0.00 0.00 39.64 40.61 3f29 n ILE 104 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3f29 n ALA 105 N 1.24 -0.16 0.00 1.51 0.00 -0.95 -0.73 120.51 121.42 3f29 n ALA 105 Ca 0.17 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.05 3f29 n ALA 105 Cb 0.56 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.80 3f29 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f29 n GLY 106 N 3.40 2.38 3.84 0.00 0.00 -1.26 -1.02 105.19 112.53 3f29 n GLY 106 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3f29 n GLY 106 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3f29 s HIS 107 N -2.41 3.35 0.62 1.61 5.04 0.09 -4.79 115.29 118.78 3f29 s HIS 107 Ca 0.00 0.18 0.32 0.00 -1.54 0.00 0.00 55.06 54.01 3f29 s HIS 107 Cb 0.00 -1.70 1.80 0.00 0.04 0.00 0.00 32.58 32.72 3f29 s HIS 107 CO 0.00 0.56 2.13 0.78 -2.34 0.00 0.00 174.74 175.87 3f29 h GLY 108 N 3.36 0.00 2.00 1.59 0.00 -1.97 -2.10 103.07 105.96 3f29 h GLY 108 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3f29 h GLY 108 CO 0.69 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.97 3f29 h PHE 109 N 0.00 0.00 -0.13 5.60 -1.00 -1.91 -1.62 116.94 117.89 3f29 h PHE 109 Ca 0.05 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.87 3f29 h PHE 109 Cb 0.41 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 3f29 h PHE 109 CO 0.00 0.00 0.13 0.00 -1.61 0.00 0.00 178.31 176.83 3f29 h ALA 110 N 2.02 1.76 -0.05 2.45 0.00 -1.66 -2.56 119.26 121.23 3f29 h ALA 110 Ca 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3f29 h ALA 110 Cb 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3f29 h ALA 110 CO 0.00 -0.20 -0.68 0.74 0.00 0.00 0.00 179.25 179.11 3f29 h PHE 111 N 0.00 0.29 0.00 0.00 0.04 -1.51 -3.47 116.94 112.29 3f29 h PHE 111 Ca 0.06 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.71 3f29 h PHE 111 Cb 0.32 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.43 3f29 h PHE 111 CO 0.00 0.83 0.00 -1.91 -0.60 0.00 0.00 178.31 176.63 3f29 n GLU 112 N -3.81 0.00 -3.39 1.51 2.13 -0.96 -4.73 120.64 111.39 3f29 n GLU 112 Ca -0.03 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.63 3f29 n GLU 112 Cb 0.67 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.29 3f29 n GLU 112 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3f29 s HIS 113 N -0.60 -0.50 0.37 4.31 2.46 -1.24 -4.61 115.29 115.48 3f29 s HIS 113 Ca 0.00 -0.16 0.00 0.00 0.47 0.00 0.00 55.06 55.37 3f29 s HIS 113 Cb 0.00 -0.44 -0.03 0.00 -0.13 0.00 0.00 32.58 31.99 3f29 s HIS 113 CO 0.00 -0.93 0.58 0.00 -2.47 0.00 0.00 174.74 171.92 3f29 s ALA 114 N 2.34 3.70 0.65 1.58 0.00 -1.26 -0.36 121.76 128.40 3f29 s ALA 114 Ca 0.10 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.96 3f29 s ALA 114 Cb -0.14 -2.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 3f29 s ALA 114 CO -0.32 -0.11 1.20 -1.21 0.00 0.00 0.00 175.76 175.33 3f29 s GLU 115 N -4.39 2.65 0.62 0.00 2.02 0.51 -4.81 118.70 115.32 3f29 s GLU 115 Ca 0.42 1.77 -0.16 0.00 0.02 0.00 0.00 54.97 57.02 3f29 s GLU 115 Cb -0.10 -1.89 -0.02 0.00 0.10 0.00 0.00 34.13 32.22 3f29 s GLU 115 CO 0.37 -1.44 1.10 -1.25 0.02 0.00 0.00 175.26 174.05 3f29 s PRO 116 N -3.61 3.02 0.00 0.39 0.04 -1.26 -4.66 135.00 128.91 3f29 s PRO 116 Ca 0.76 1.37 0.00 0.00 0.04 0.00 0.00 61.00 63.17 3f29 s PRO 116 Cb -0.29 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3f29 s PRO 116 CO 0.38 -1.08 0.00 2.89 0.04 0.00 0.00 177.00 179.24 3f29 n ARG 117 N -2.15 1.45 -1.71 4.56 1.85 -1.26 -4.84 116.66 114.56 3f29 n ARG 117 Ca 0.10 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.56 3f29 n ARG 117 Cb 0.52 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 31.96 3f29 n ARG 117 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3f29 n SER 118 N -1.31 2.35 -0.06 2.89 7.64 -1.26 -4.88 113.62 118.98 3f29 n SER 118 Ca 0.00 1.00 0.18 0.00 1.01 0.00 0.00 58.87 61.06 3f29 n SER 118 Cb 0.00 -1.52 0.62 0.00 -1.01 0.00 0.00 64.21 62.30 3f29 n SER 118 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 3f29 h HIS 119 N 1.53 0.19 -0.92 1.43 3.86 -1.88 -2.04 115.15 117.31 3f29 h HIS 119 Ca -0.49 0.01 0.26 0.00 -1.16 0.00 0.00 60.37 58.98 3f29 h HIS 119 Cb 1.31 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 29.68 3f29 h HIS 119 CO 0.45 0.07 0.65 0.00 0.86 0.00 0.00 177.93 179.96 3f29 h ALA 120 N 1.70 2.74 -0.24 2.45 0.00 -1.88 -2.03 119.26 122.00 3f29 h ALA 120 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3f29 h ALA 120 Cb 0.95 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3f29 h ALA 120 CO -0.05 -1.01 0.00 1.19 0.00 0.00 0.00 179.25 179.38 3f29 n PHE 121 N -4.32 0.31 -0.29 0.00 3.72 -0.77 -4.24 117.46 111.88 3f29 n PHE 121 Ca 0.19 -0.16 -0.03 0.00 -0.05 0.00 0.00 57.45 57.40 3f29 n PHE 121 Cb 0.94 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.59 3f29 n PHE 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3f29 h MET 122 N 3.21 1.16 0.00 -1.08 -0.00 -1.53 0.70 114.93 117.39 3f29 h MET 122 Ca 0.00 -0.15 -0.14 0.00 -0.00 0.00 0.00 59.70 59.41 3f29 h MET 122 Cb 0.70 -0.22 0.01 0.00 -0.00 0.00 0.00 31.60 32.10 3f29 h MET 122 CO 0.00 0.87 -0.54 1.25 -0.00 0.00 0.00 176.91 178.49 3f29 h LEU 123 N 1.16 0.47 -0.89 -0.10 5.85 -1.82 -1.88 115.31 118.10 3f29 h LEU 123 Ca 0.29 -0.77 -0.07 0.00 0.84 0.00 0.00 57.88 58.17 3f29 h LEU 123 Cb 0.08 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3f29 h LEU 123 CO -0.04 1.18 0.09 -0.37 -0.34 0.00 0.00 178.44 178.97 3f29 h VAL 124 N -0.19 1.24 -0.57 1.05 -1.51 -1.84 -1.06 116.25 113.38 3f29 h VAL 124 Ca -0.07 -0.94 -0.08 0.00 -1.23 0.00 0.00 66.70 64.38 3f29 h VAL 124 Cb 1.27 0.70 -0.02 0.00 -2.13 0.00 0.00 31.29 31.11 3f29 h VAL 124 CO 0.11 0.35 0.03 0.44 -1.23 0.00 0.00 177.57 177.26 3f29 h ASP 125 N 0.87 0.97 -0.57 4.19 3.32 -0.88 -1.08 116.42 123.23 3f29 h ASP 125 Ca 0.18 -0.29 0.06 0.00 0.02 0.00 0.00 57.03 57.00 3f29 h ASP 125 Cb 0.38 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.62 3f29 h ASP 125 CO 0.01 1.02 0.27 -0.74 -1.72 0.00 0.00 179.24 178.08 3f29 h HIS 126 N 0.88 0.49 -0.45 4.55 -0.00 -1.09 -1.98 115.15 117.54 3f29 h HIS 126 Ca 0.17 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.48 3f29 h HIS 126 Cb 0.51 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.76 3f29 h HIS 126 CO 0.04 0.21 -0.05 0.74 -0.00 0.00 0.00 177.93 178.87 3f29 h PHE 127 N 0.51 0.84 0.00 5.26 0.04 -0.73 -3.33 116.94 119.53 3f29 h PHE 127 Ca 0.26 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.90 3f29 h PHE 127 Cb 0.21 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.14 3f29 h PHE 127 CO -0.11 0.81 -1.24 1.33 -0.60 0.00 0.00 178.31 178.49 3f29 n VAL 128 N -4.19 0.11 -1.73 -0.55 0.24 -0.45 -4.40 118.33 107.36 3f29 n VAL 128 Ca 0.02 -0.26 -0.39 0.00 -2.04 0.00 0.00 64.34 61.67 3f29 n VAL 128 Cb 0.33 0.31 0.04 0.00 -1.47 0.00 0.00 33.84 33.05 3f29 n VAL 128 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 3f29 n VAL 129 N -1.95 3.50 0.31 3.34 3.14 -0.76 -4.86 118.33 121.05 3f29 n VAL 129 Ca 0.01 -0.50 0.19 0.00 -2.96 0.00 0.00 64.34 61.08 3f29 n VAL 129 Cb 0.45 -1.65 0.97 0.00 -1.06 0.00 0.00 33.84 32.55 3f29 n VAL 129 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 3f29 h ASP 130 N 1.58 0.00 0.34 6.55 3.32 -1.88 -2.71 116.42 123.62 3f29 h ASP 130 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3f29 h ASP 130 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3f29 h ASP 130 CO 0.58 0.02 -0.20 -2.11 -1.72 0.00 0.00 179.24 175.80 3f29 n ARG 131 N -3.19 0.67 -0.11 3.56 1.85 -1.26 -0.98 116.66 117.20 3f29 n ARG 131 Ca -0.02 -0.32 -0.20 0.00 -1.00 0.00 0.00 57.85 56.31 3f29 n ARG 131 Cb 0.17 -1.49 -0.07 0.00 -1.05 0.00 0.00 32.46 30.02 3f29 n ARG 131 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3f29 n ALA 132 N -0.88 0.98 -2.04 2.89 0.00 -1.02 -1.09 120.51 119.34 3f29 n ALA 132 Ca 0.12 -0.88 0.05 0.00 0.00 0.00 0.00 53.44 52.74 3f29 n ALA 132 Cb 0.32 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.86 3f29 n ALA 132 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3f29 n TYR 133 N -4.37 0.00 -1.85 0.00 4.02 -1.17 -1.10 117.16 112.69 3f29 n TYR 133 Ca -0.35 -0.83 -0.17 0.00 -0.01 0.00 0.00 57.90 56.54 3f29 n TYR 133 Cb 0.69 -0.18 -0.05 0.00 -0.02 0.00 0.00 39.34 39.79 3f29 n TYR 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3f29 n GLY 134 N -0.24 0.85 2.09 2.72 0.00 0.17 -1.51 105.19 109.27 3f29 n GLY 134 Ca 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 3f29 n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f29 n GLY 135 N -0.92 0.45 0.23 -0.02 0.00 -1.26 0.61 105.19 104.28 3f29 n GLY 135 Ca -0.19 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 3f29 n GLY 135 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3f29 h ARG 136 N 0.89 0.75 -5.62 1.61 2.43 -1.56 -3.42 114.38 109.46 3f29 h ARG 136 Ca -0.00 -0.08 -0.66 0.00 -0.81 0.00 0.00 59.98 58.43 3f29 h ARG 136 Cb 0.09 -0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 29.40 3f29 h ARG 136 CO 0.00 0.57 -0.51 -0.06 -1.51 0.00 0.00 179.97 178.46 3f29 s PHE 137 N -5.89 3.48 0.05 2.20 0.08 -1.26 -0.70 117.98 115.94 3f29 s PHE 137 Ca -0.13 0.42 -0.06 0.00 0.12 0.00 0.00 56.93 57.27 3f29 s PHE 137 Cb 0.12 -1.95 -0.01 0.00 -0.57 0.00 0.00 43.02 40.61 3f29 s PHE 137 CO 0.76 0.59 0.12 -0.65 -0.10 0.00 0.00 175.22 175.94 3f29 s GLN 138 N -0.72 0.66 0.51 0.44 -1.52 -0.99 -4.38 119.66 113.66 3f29 s GLN 138 Ca 0.13 -0.82 -0.23 0.00 -1.95 0.00 0.00 55.36 52.49 3f29 s GLN 138 Cb -0.12 0.26 -0.06 0.00 -0.22 0.00 0.00 33.01 32.87 3f29 s GLN 138 CO 0.03 -0.18 1.36 -0.06 -0.25 0.00 0.00 175.29 176.19 3f29 s PHE 139 N -2.97 2.37 0.32 0.91 0.08 -1.26 -0.31 117.98 117.12 3f29 s PHE 139 Ca -0.02 1.36 0.07 0.00 0.12 0.00 0.00 56.93 58.46 3f29 s PHE 139 Cb 0.01 -3.80 0.76 0.00 -0.57 0.00 0.00 43.02 39.42 3f29 s PHE 139 CO -0.06 -2.80 1.81 0.87 -0.10 0.00 0.00 175.22 174.94 3f29 h LYS 140 N 1.72 0.73 -3.32 0.44 1.57 -0.98 -3.43 116.57 113.30 3f29 h LYS 140 Ca -0.51 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.20 3f29 h LYS 140 Cb 1.29 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 33.38 3f29 h LYS 140 CO 0.58 0.48 0.09 0.54 -0.57 0.00 0.00 179.45 180.57 3f29 s ASN 141 N -5.56 -0.02 0.21 0.86 2.20 -1.26 -4.99 114.94 106.38 3f29 s ASN 141 Ca -0.11 -0.93 0.21 0.00 -0.94 0.00 0.00 52.86 51.10 3f29 s ASN 141 Cb 0.24 0.71 0.91 0.00 -2.00 0.00 0.00 41.25 41.10 3f29 s ASN 141 CO 0.80 -1.36 1.65 0.79 -2.94 0.00 0.00 177.10 176.04 3f29 n TRP 142 N -0.46 0.64 0.11 1.54 7.02 -1.26 -2.19 117.44 122.84 3f29 n TRP 142 Ca -0.04 0.26 -0.03 0.00 -1.02 0.00 0.00 57.50 56.67 3f29 n TRP 142 Cb 0.60 -0.92 0.15 0.00 -2.42 0.00 0.00 31.31 28.72 3f29 n TRP 142 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 3f29 h GLN 143 N 0.00 0.11 0.00 -0.99 4.20 -1.97 -3.28 115.11 113.18 3f29 h GLN 143 Ca 0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3f29 h GLN 143 Cb 0.30 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3f29 h GLN 143 CO 0.00 0.69 0.00 0.87 -0.67 0.00 0.00 178.83 179.72 3f29 h LYS 144 N 0.08 0.00 0.00 1.46 1.79 -1.81 -3.00 116.57 115.09 3f29 h LYS 144 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3f29 h LYS 144 Cb 1.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 3f29 h LYS 144 CO 0.09 0.00 0.03 -0.39 -1.08 0.00 0.00 179.45 178.10 3f29 h VAL 145 N 0.00 0.00 0.00 0.50 -1.51 -1.75 -0.96 116.25 112.53 3f29 h VAL 145 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3f29 h VAL 145 Cb 0.22 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 3f29 h VAL 145 CO 0.00 0.00 -0.50 0.35 -1.23 0.00 0.00 177.57 176.19 3f29 n THR 146 N -2.96 0.12 -3.01 7.19 -2.24 -1.13 -4.81 114.28 107.43 3f29 n THR 146 Ca -0.03 -0.09 -0.44 0.00 -2.27 0.00 0.00 64.05 61.22 3f29 n THR 146 Cb 0.09 0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.38 3f29 n THR 146 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3f29 s ASP 147 N -3.41 7.01 0.04 3.42 -1.08 -0.37 -4.80 116.67 117.48 3f29 s ASP 147 Ca 0.10 -2.88 -0.24 0.00 -0.52 0.00 0.00 52.55 49.01 3f29 s ASP 147 Cb 0.16 -2.37 -0.17 0.00 -1.46 0.00 0.00 42.92 39.08 3f29 s ASP 147 CO 0.69 -0.74 1.53 1.23 0.52 0.00 0.00 175.17 178.40 3f29 h GLY 148 N 9.38 -0.05 0.72 2.66 0.00 -1.87 -1.45 103.07 112.46 3f29 h GLY 148 Ca 0.26 0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.66 3f29 h GLY 148 CO 1.17 -0.02 0.45 1.98 0.00 0.00 0.00 176.54 180.12 3f29 h MET 149 N -0.25 0.81 -0.36 4.80 1.85 -1.87 -1.09 114.93 118.82 3f29 h MET 149 Ca -0.00 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.03 3f29 h MET 149 Cb 0.23 -0.18 -0.02 0.00 0.43 0.00 0.00 31.60 32.06 3f29 h MET 149 CO 0.01 0.54 0.21 0.78 -0.40 0.00 0.00 176.91 178.05 3f29 h GLY 150 N 0.83 0.52 0.92 1.39 0.00 -1.93 -0.39 103.07 104.42 3f29 h GLY 150 Ca 0.33 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.47 3f29 h GLY 150 CO -0.17 0.21 0.46 0.00 0.00 0.00 0.00 176.54 177.04 3f29 h ALA 151 N 1.09 0.92 -0.79 3.60 0.00 -0.78 -1.64 119.26 121.66 3f29 h ALA 151 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3f29 h ALA 151 Cb 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3f29 h ALA 151 CO -0.02 0.26 0.47 0.28 0.00 0.00 0.00 179.25 180.24 3f29 h VAL 152 N 0.91 1.22 -0.63 0.00 2.07 -0.91 -2.30 116.25 116.61 3f29 h VAL 152 Ca 0.28 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3f29 h VAL 152 Cb -0.03 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.84 3f29 h VAL 152 CO -0.09 0.23 0.37 -0.09 0.02 0.00 0.00 177.57 178.02 3f29 h ARG 153 N 1.08 0.85 0.00 1.57 2.43 -0.63 -3.43 114.38 116.24 3f29 h ARG 153 Ca 0.28 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3f29 h ARG 153 Cb -0.03 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 3f29 h ARG 153 CO -0.05 0.60 0.00 0.41 -1.51 0.00 0.00 179.97 179.42 3f29 n GLY 154 N -1.33 2.90 0.32 2.80 0.00 -0.66 -4.90 105.19 104.33 3f29 n GLY 154 Ca 0.06 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.18 3f29 n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f29 h ALA 155 N 0.00 1.44 0.00 4.61 0.00 -0.75 -0.72 119.26 123.84 3f29 h ALA 155 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3f29 h ALA 155 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3f29 h ALA 155 CO 0.00 -0.16 0.00 0.91 0.00 0.00 0.00 179.25 180.00 3f29 n TRP 156 N -4.89 0.00 0.47 0.00 7.02 -1.26 -1.70 117.44 117.08 3f29 n TRP 156 Ca 0.20 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.81 3f29 n TRP 156 Cb 0.54 -0.18 0.34 0.00 -2.42 0.00 0.00 31.31 29.60 3f29 n TRP 156 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 3f29 h THR 157 N 0.00 0.00 0.00 -0.99 1.35 -1.44 -3.37 112.91 108.47 3f29 h THR 157 Ca 0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3f29 h THR 157 Cb 0.16 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3f29 h THR 157 CO 0.00 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.60 3f29 n VAL 158 N -2.57 0.00 -4.37 6.82 0.24 -0.69 -5.01 118.33 112.76 3f29 n VAL 158 Ca 0.05 -0.43 -0.25 0.00 -2.04 0.00 0.00 64.34 61.67 3f29 n VAL 158 Cb 0.45 1.02 -0.09 0.00 -1.47 0.00 0.00 33.84 33.74 3f29 n VAL 158 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3f29 s LEU 159 N -1.50 2.84 0.30 1.34 1.43 -0.73 -0.35 118.68 122.02 3f29 s LEU 159 Ca 0.00 -0.78 0.10 0.00 -1.03 0.00 0.00 54.13 52.42 3f29 s LEU 159 Cb 0.00 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 3f29 s LEU 159 CO 0.00 0.06 -0.09 0.42 0.23 0.00 0.00 176.35 176.96 3f29 s THR 160 N -2.12 2.66 -0.17 5.49 -4.23 0.57 -4.73 115.64 113.12 3f29 s THR 160 Ca 0.28 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 3f29 s THR 160 Cb -0.07 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.19 3f29 s THR 160 CO 0.16 -0.31 -0.16 -0.62 -0.54 0.00 0.00 174.62 173.14 3f29 s ASP 161 N -3.61 3.48 0.57 3.99 -1.08 -1.26 -2.36 116.67 116.40 3f29 s ASP 161 Ca 0.32 -0.54 0.27 0.00 -0.52 0.00 0.00 52.55 52.08 3f29 s ASP 161 Cb -0.03 -1.54 1.68 0.00 -1.46 0.00 0.00 42.92 41.57 3f29 s ASP 161 CO 0.17 0.05 2.21 0.00 0.52 0.00 0.00 175.17 178.12 3f29 h ALA 162 N 7.60 1.55 -1.67 3.66 0.00 -1.24 -3.36 119.26 125.80 3f29 h ALA 162 Ca -0.38 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.20 3f29 h ALA 162 Cb 1.17 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.69 3f29 h ALA 162 CO 0.59 0.03 -0.66 0.34 0.00 0.00 0.00 179.25 179.55 3f29 s ASP 163 N -6.29 0.22 0.41 0.00 2.15 -1.26 -4.99 116.67 106.90 3f29 s ASP 163 Ca -0.05 -1.77 0.25 0.00 0.43 0.00 0.00 52.55 51.42 3f29 s ASP 163 Cb 0.15 0.89 1.37 0.00 -0.30 0.00 0.00 42.92 45.03 3f29 s ASP 163 CO 0.57 -0.18 1.75 -0.65 -0.17 0.00 0.00 175.17 176.49 3f29 h PRO 164 N 6.34 0.00 -0.00 4.34 0.11 -2.00 -2.73 132.00 138.05 3f29 h PRO 164 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3f29 h PRO 164 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3f29 h PRO 164 CO 0.17 0.00 -0.34 0.39 -0.21 0.00 0.00 178.00 178.01 3f29 n GLU 165 N -2.41 0.37 -4.38 1.05 -0.58 -1.26 -4.87 120.64 108.56 3f29 n GLU 165 Ca -0.02 -0.20 -0.22 0.00 -0.42 0.00 0.00 57.16 56.31 3f29 n GLU 165 Cb 0.11 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.37 3f29 n GLU 165 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3f29 s SER 166 N -2.77 2.92 0.00 1.62 1.04 -1.03 -5.06 113.70 110.43 3f29 s SER 166 Ca 0.18 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.65 3f29 s SER 166 Cb 0.18 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.11 3f29 s SER 166 CO 0.60 -0.05 0.74 -1.54 0.98 0.00 0.00 173.24 173.98 3f29 n SER 167 N -0.15 1.08 -4.84 7.02 3.41 -1.26 -4.94 113.62 113.94 3f29 n SER 167 Ca -0.09 -1.52 -0.33 0.00 -0.26 0.00 0.00 58.87 56.66 3f29 n SER 167 Cb 0.59 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.48 3f29 n SER 167 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3f29 s ASP 168 N -0.52 6.85 -0.25 4.04 -4.77 -1.26 -4.38 116.67 116.39 3f29 s ASP 168 Ca 0.00 1.32 -0.29 0.00 -3.30 0.00 0.00 52.55 50.28 3f29 s ASP 168 Cb 0.00 -2.39 -0.01 0.00 -1.09 0.00 0.00 42.92 39.43 3f29 s ASP 168 CO 0.00 -0.14 1.39 -1.10 0.70 0.00 0.00 175.17 176.02 3f29 s GLN 169 N -2.71 3.94 0.19 2.11 -1.52 -1.26 -4.98 119.66 115.44 3f29 s GLN 169 Ca 0.51 1.45 -0.11 0.00 -1.95 0.00 0.00 55.36 55.26 3f29 s GLN 169 Cb -0.12 -3.91 -0.00 0.00 -0.22 0.00 0.00 33.01 28.76 3f29 s GLN 169 CO 0.18 -1.10 0.38 -0.98 -0.25 0.00 0.00 175.29 173.52 3f29 s ARG 170 N 4.20 1.29 -0.19 2.91 1.70 -1.26 -5.05 118.95 122.54 3f29 s ARG 170 Ca 0.61 -1.13 -0.23 0.00 -0.47 0.00 0.00 55.73 54.50 3f29 s ARG 170 Cb -0.20 0.43 -0.02 0.00 -0.57 0.00 0.00 34.95 34.59 3f29 s ARG 170 CO 0.24 -0.51 0.75 1.03 -1.08 0.00 0.00 175.30 175.73 3f29 s ARG 171 N -3.96 4.25 -0.01 3.89 0.52 -1.26 -4.13 118.95 118.24 3f29 s ARG 171 Ca 0.17 0.85 0.20 0.00 -0.52 0.00 0.00 55.73 56.43 3f29 s ARG 171 Cb 0.02 -3.59 -0.23 0.00 0.52 0.00 0.00 34.95 31.67 3f29 s ARG 171 CO 0.02 -0.32 0.55 1.19 0.02 0.00 0.00 175.30 176.75 3f29 n PHE 172 N 5.27 0.32 -4.70 -0.53 3.01 0.20 -4.91 117.46 116.12 3f29 n PHE 172 Ca 0.02 0.10 -0.28 0.00 1.01 0.00 0.00 57.45 58.30 3f29 n PHE 172 Cb 0.49 -0.77 -0.14 0.00 -0.01 0.00 0.00 39.48 39.05 3f29 n PHE 172 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3f29 s LEU 173 N -5.06 2.20 0.19 4.37 1.43 -1.09 -5.02 118.68 115.70 3f29 s LEU 173 Ca -0.06 -0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 3f29 s LEU 173 Cb 0.11 -1.14 0.12 0.00 0.03 0.00 0.00 46.19 45.31 3f29 s LEU 173 CO 0.86 0.20 1.84 0.77 0.23 0.00 0.00 176.35 180.25 3f29 h SER 174 N 4.64 0.80 -2.37 2.29 4.64 -1.91 -3.23 113.55 118.40 3f29 h SER 174 Ca -0.46 -0.05 -0.76 0.00 -0.47 0.00 0.00 61.79 60.05 3f29 h SER 174 Cb 1.15 -0.20 -0.31 0.00 -0.31 0.00 0.00 62.40 62.74 3f29 h SER 174 CO 0.43 0.62 0.60 0.00 -0.87 0.00 0.00 176.83 177.60 3f29 n GLN 175 N -4.58 4.72 -4.37 4.77 1.13 -1.26 -4.94 117.38 112.86 3f29 n GLN 175 Ca 0.05 -4.69 -0.18 0.00 -1.94 0.00 0.00 57.00 50.24 3f29 n GLN 175 Cb 0.05 -2.42 -0.10 0.00 0.11 0.00 0.00 30.24 27.87 3f29 n GLN 175 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3f29 s THR 176 N -3.99 0.86 0.29 5.09 -4.23 -1.22 -4.92 115.64 107.52 3f29 s THR 176 Ca 0.39 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.92 3f29 s THR 176 Cb 0.18 -2.64 -0.06 0.00 1.34 0.00 0.00 72.50 71.32 3f29 s THR 176 CO -0.08 -0.06 0.08 0.00 -0.54 0.00 0.00 174.62 174.02 3f29 s ALA 177 N -3.54 1.99 -0.50 3.99 0.00 -0.15 -4.90 121.76 118.65 3f29 s ALA 177 Ca 0.36 -1.95 0.06 0.00 0.00 0.00 0.00 51.96 50.43 3f29 s ALA 177 Cb 0.08 0.88 0.38 0.00 0.00 0.00 0.00 23.12 24.46 3f29 s ALA 177 CO 0.13 -0.39 1.01 0.25 0.00 0.00 0.00 175.76 176.76 3f29 n THR 178 N -0.56 2.56 0.33 0.00 -2.24 -1.22 -0.65 114.28 112.50 3f29 n THR 178 Ca -0.01 -5.16 0.13 0.00 -2.27 0.00 0.00 64.05 56.74 3f29 n THR 178 Cb 0.66 -1.22 0.32 0.00 -2.10 0.00 0.00 70.33 67.99 3f29 n THR 178 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f29 h ALA 179 N 2.80 1.00 -2.91 6.98 0.00 -0.71 -3.46 119.26 122.96 3f29 h ALA 179 Ca 0.20 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.57 3f29 h ALA 179 Cb 0.73 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.63 3f29 h ALA 179 CO 0.81 0.00 0.58 0.00 0.00 0.00 0.00 179.25 180.64 3f29 s ALA 180 N -3.26 2.94 0.25 0.00 0.00 -0.26 -5.00 121.76 116.43 3f29 s ALA 180 Ca 0.07 1.22 -0.08 0.00 0.00 0.00 0.00 51.96 53.17 3f29 s ALA 180 Cb 0.08 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3f29 s ALA 180 CO 0.62 -1.10 0.39 0.54 0.00 0.00 0.00 175.76 176.21 3f29 s ASN 181 N -1.01 0.15 0.54 0.00 2.20 -1.26 -4.92 114.94 110.64 3f29 s ASN 181 Ca 0.67 -1.14 0.25 0.00 -0.94 0.00 0.00 52.86 51.69 3f29 s ASN 181 Cb -0.37 0.55 1.54 0.00 -2.00 0.00 0.00 41.25 40.97 3f29 s ASN 181 CO 0.45 -1.09 2.16 -0.65 -2.94 0.00 0.00 177.10 175.03 3f29 h PRO 182 N 2.32 0.00 -0.60 3.55 0.11 -1.84 -2.71 132.00 132.82 3f29 h PRO 182 Ca -0.29 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 3f29 h PRO 182 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3f29 h PRO 182 CO 0.40 0.05 0.15 0.28 -0.21 0.00 0.00 178.00 178.68 3f29 h VAL 183 N 0.00 1.24 -0.94 3.15 2.07 -1.88 -2.88 116.25 117.01 3f29 h VAL 183 Ca -0.00 -0.86 0.28 0.00 0.82 0.00 0.00 66.70 66.93 3f29 h VAL 183 Cb 0.12 0.62 -0.15 0.00 -1.52 0.00 0.00 31.29 30.36 3f29 h VAL 183 CO 0.01 0.33 0.38 0.00 0.02 0.00 0.00 177.57 178.30 3f29 h LEU 185 N 0.24 0.00 -2.64 0.00 -0.00 -1.67 -1.85 115.31 109.39 3f29 h LEU 185 Ca 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.52 3f29 h LEU 185 Cb 1.38 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.04 3f29 h LEU 185 CO -0.65 0.13 -0.01 0.78 -0.00 0.00 0.00 178.44 178.69 3f29 h ASN 186 N 0.00 0.00 -0.56 -0.43 2.35 -1.51 -0.19 115.58 115.23 3f29 h ASN 186 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3f29 h ASN 186 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3f29 h ASN 186 CO 0.02 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 3f29 n LYS 188 N 0.90 2.59 -3.48 0.00 4.76 -0.20 -4.96 118.16 117.77 3f29 n LYS 188 Ca 0.22 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.55 3f29 n LYS 188 Cb 0.76 -0.94 -0.03 0.00 -1.84 0.00 0.00 35.03 32.98 3f29 n LYS 188 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3f29 s THR 189 N -1.85 0.00 -0.14 -0.18 -1.32 -0.55 -2.33 115.64 109.28 3f29 s THR 189 Ca 0.00 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.65 3f29 s THR 189 Cb 0.00 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.42 3f29 s THR 189 CO 0.00 0.00 1.19 0.00 -2.21 0.00 0.00 174.62 173.60 3f29 n GLN 190 N -0.03 1.16 0.00 7.08 1.13 -1.26 -4.32 117.38 121.15 3f29 n GLN 190 Ca -0.13 -2.91 0.20 0.00 -1.94 0.00 0.00 57.00 52.22 3f29 n GLN 190 Cb 0.62 -1.08 0.69 0.00 0.11 0.00 0.00 30.24 30.58 3f29 n GLN 190 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 3f29 h ASP 191 N 1.15 0.00 -0.34 1.08 3.32 -1.92 -1.45 116.42 118.27 3f29 h ASP 191 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3f29 h ASP 191 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 3f29 h ASP 191 CO 0.10 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.62 3f29 n HIS 192 N -4.35 0.48 -0.15 4.55 1.44 -1.26 -4.56 115.22 111.37 3f29 n HIS 192 Ca 0.10 -0.23 0.27 0.00 -2.01 0.00 0.00 57.72 55.84 3f29 n HIS 192 Cb 0.61 -0.01 0.71 0.00 0.12 0.00 0.00 29.99 31.41 3f29 n HIS 192 CO 0.00 0.00 0.00 0.97 -2.81 0.00 0.00 176.34 174.50 3f29 h ILE 193 N 1.99 0.59 -0.32 0.61 2.10 -1.62 0.13 117.51 120.99 3f29 h ILE 193 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 3f29 h ILE 193 Cb 0.49 0.56 0.00 0.00 -1.09 0.00 0.00 36.82 36.78 3f29 h ILE 193 CO 0.01 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.27 3f29 n LEU 194 N -4.30 3.36 -0.02 2.19 4.77 -1.26 -4.34 117.00 117.40 3f29 n LEU 194 Ca 0.17 -1.41 0.01 0.00 -0.03 0.00 0.00 56.01 54.75 3f29 n LEU 194 Cb 0.89 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.79 3f29 n LEU 194 CO 0.38 0.70 0.45 0.47 -1.33 0.00 0.00 177.39 178.06 3f29 n ASP 195 N 1.45 1.59 -3.73 -1.43 8.00 0.42 -4.91 116.55 117.93 3f29 n ASP 195 Ca 0.18 -1.90 -0.22 0.00 0.71 0.00 0.00 54.79 53.56 3f29 n ASP 195 Cb 0.60 -0.04 -0.18 0.00 -0.02 0.00 0.00 41.12 41.48 3f29 n ASP 195 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3f29 s TRP 196 N -0.94 0.43 0.57 1.24 -0.11 -1.01 -1.39 118.94 117.72 3f29 s TRP 196 Ca 0.03 0.00 -0.16 0.00 1.22 0.00 0.00 56.10 57.19 3f29 s TRP 196 Cb 0.02 -0.67 -0.05 0.00 -1.50 0.00 0.00 33.47 31.27 3f29 s TRP 196 CO 0.00 -0.27 1.04 0.00 -4.62 0.00 0.00 176.95 173.10 3f29 s ALA 197 N 2.04 2.84 -0.24 5.86 0.00 -1.26 -4.76 121.76 126.24 3f29 s ALA 197 Ca 0.05 0.34 -0.41 0.00 0.00 0.00 0.00 51.96 51.94 3f29 s ALA 197 Cb -0.12 -3.20 -0.17 0.00 0.00 0.00 0.00 23.12 19.62 3f29 s ALA 197 CO -0.04 -0.62 1.56 0.98 0.00 0.00 0.00 175.76 177.63 3f29 n TYR 198 N -1.85 1.72 -0.47 0.00 9.36 0.08 0.14 117.16 126.14 3f29 n TYR 198 Ca 0.08 0.77 0.00 0.00 3.32 0.00 0.00 57.90 62.07 3f29 n TYR 198 Cb 0.53 -2.33 0.00 0.00 -0.63 0.00 0.00 39.34 36.91 3f29 n TYR 198 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3f29 n MET 199 N 4.06 0.00 -1.04 2.98 2.81 -1.26 -3.30 117.12 121.37 3f29 n MET 199 Ca 0.25 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 56.13 3f29 n MET 199 Cb 0.09 -2.22 -0.01 0.00 -0.71 0.00 0.00 33.22 30.37 3f29 n MET 199 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3f29 n GLY 200 N -2.00 0.49 3.73 3.03 0.00 0.12 -4.80 105.19 105.76 3f29 n GLY 200 Ca 0.00 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 3f29 n GLY 200 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f29 s ASP 201 N -2.97 4.39 0.38 1.61 1.01 -1.21 -1.30 116.67 118.59 3f29 s ASP 201 Ca 0.00 2.25 -0.28 0.00 0.71 0.00 0.00 52.55 55.23 3f29 s ASP 201 Cb 0.00 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.24 3f29 s ASP 201 CO 0.00 -2.13 1.48 -1.61 0.21 0.00 0.00 175.17 173.12 3f29 s GLU 202 N -3.99 4.08 -0.27 8.23 0.41 -1.26 -4.57 118.70 121.33 3f29 s GLU 202 Ca 0.72 2.56 -0.21 0.00 -0.41 0.00 0.00 54.97 57.63 3f29 s GLU 202 Cb -0.27 -2.95 0.08 0.00 -1.78 0.00 0.00 34.13 29.21 3f29 s GLU 202 CO 0.45 -0.55 0.71 -1.58 -0.49 0.00 0.00 175.26 173.80 3f29 s HIS 203 N -1.13 -0.91 0.47 1.61 2.46 -1.26 -5.04 115.29 111.49 3f29 s HIS 203 Ca 0.53 2.01 0.13 0.00 0.47 0.00 0.00 55.06 58.20 3f29 s HIS 203 Cb -0.46 0.44 1.11 0.00 -0.13 0.00 0.00 32.58 33.54 3f29 s HIS 203 CO 0.63 -0.44 2.09 1.05 -2.47 0.00 0.00 174.74 175.60 3f29 h GLU 204 N 5.90 0.22 -0.00 2.88 9.09 -2.00 -1.88 114.58 128.79 3f29 h GLU 204 Ca -0.29 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.10 3f29 h GLU 204 Cb 1.19 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 3f29 h GLU 204 CO 0.10 0.15 -0.21 0.00 0.05 0.00 0.00 179.01 179.10 3f29 n ALA 205 N -2.52 2.94 -2.62 1.06 0.00 -1.26 -4.85 120.51 113.26 3f29 n ALA 205 Ca 0.01 -0.30 -0.39 0.00 0.00 0.00 0.00 53.44 52.76 3f29 n ALA 205 Cb 0.14 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.25 3f29 n ALA 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f29 s ALA 206 N -2.64 3.57 0.27 0.00 0.00 -0.71 -4.87 121.76 117.39 3f29 s ALA 206 Ca 0.23 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 3f29 s ALA 206 Cb 0.19 -2.76 0.36 0.00 0.00 0.00 0.00 23.12 20.92 3f29 s ALA 206 CO 0.53 -0.62 1.81 -0.22 0.00 0.00 0.00 175.76 177.27 3f29 h LYS 207 N 7.97 0.87 -6.14 0.00 3.64 -1.75 -3.45 116.57 117.70 3f29 h LYS 207 Ca -0.31 -0.18 -0.55 0.00 -1.27 0.00 0.00 60.65 58.33 3f29 h LYS 207 Cb 1.15 -0.13 -0.21 0.00 -0.41 0.00 0.00 32.23 32.63 3f29 h LYS 207 CO 0.68 0.78 -0.82 -1.58 -2.27 0.00 0.00 179.45 176.24 3f29 s TRP 208 N -5.22 1.80 0.35 1.91 0.52 -0.49 -5.03 118.94 112.78 3f29 s TRP 208 Ca -0.10 -0.42 -0.11 0.00 0.02 0.00 0.00 56.10 55.48 3f29 s TRP 208 Cb 0.15 -0.97 0.03 0.00 -1.15 0.00 0.00 33.47 31.53 3f29 s TRP 208 CO 0.81 0.22 0.65 -1.54 0.02 0.00 0.00 176.95 177.11 3f29 s SER 209 N -2.01 0.31 0.53 2.95 1.04 -1.26 -4.30 113.70 110.97 3f29 s SER 209 Ca 0.08 -1.22 0.29 0.00 0.48 0.00 0.00 55.95 55.58 3f29 s SER 209 Cb -0.09 0.76 1.44 0.00 0.10 0.00 0.00 66.02 68.23 3f29 s SER 209 CO 0.05 -1.49 1.94 0.03 0.98 0.00 0.00 173.24 174.74 3f29 h ARG 210 N 2.06 0.00 -0.16 4.02 3.08 -1.51 -1.85 114.38 120.02 3f29 h ARG 210 Ca -0.29 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 3f29 h ARG 210 Cb 1.25 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3f29 h ARG 210 CO 0.38 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.53 3f29 n THR 211 N -4.32 0.20 -0.98 2.04 -2.24 -1.26 -4.45 114.28 103.27 3f29 n THR 211 Ca 0.15 -0.47 -0.31 0.00 -2.27 0.00 0.00 64.05 61.14 3f29 n THR 211 Cb 0.80 0.83 0.13 0.00 -2.10 0.00 0.00 70.33 69.99 3f29 n THR 211 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3f29 s SER 212 N -1.74 3.69 -0.35 3.42 0.01 -0.70 -4.94 113.70 113.10 3f29 s SER 212 Ca 0.34 2.03 -0.29 0.00 1.31 0.00 0.00 55.95 59.35 3f29 s SER 212 Cb 0.20 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.88 3f29 s SER 212 CO 0.30 -2.59 1.66 -1.61 0.41 0.00 0.00 173.24 171.41 3f29 s GLU 213 N -4.73 3.45 0.43 12.44 2.02 -1.26 -4.71 118.70 126.34 3f29 s GLU 213 Ca 0.64 1.29 0.11 0.00 0.02 0.00 0.00 54.97 57.03 3f29 s GLU 213 Cb -0.20 -4.13 0.94 0.00 0.10 0.00 0.00 34.13 30.84 3f29 s GLU 213 CO 0.56 -1.71 2.01 -0.24 0.02 0.00 0.00 175.26 175.90 3f29 h VAL 214 N 6.65 1.12 -0.70 2.63 3.04 -1.91 -1.68 116.25 125.40 3f29 h VAL 214 Ca -0.32 -0.47 -0.05 0.00 -1.01 0.00 0.00 66.70 64.85 3f29 h VAL 214 Cb 1.15 1.04 -0.03 0.00 -2.01 0.00 0.00 31.29 31.44 3f29 h VAL 214 CO 1.05 0.15 0.23 0.58 -1.01 0.00 0.00 177.57 178.57 3f29 h VAL 215 N 0.21 1.25 -0.25 1.51 2.07 -1.91 0.24 116.25 119.37 3f29 h VAL 215 Ca 0.05 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 3f29 h VAL 215 Cb 0.20 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3f29 h VAL 215 CO 0.01 0.33 -0.06 -0.33 0.02 0.00 0.00 177.57 177.54 3f29 h GLU 216 N 1.03 0.48 -0.29 1.57 4.39 -1.56 -2.91 114.58 117.28 3f29 h GLU 216 Ca 0.23 -0.18 0.05 0.00 0.34 0.00 0.00 59.36 59.80 3f29 h GLU 216 Cb 0.27 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 3f29 h GLU 216 CO -0.01 0.70 0.01 0.35 -1.16 0.00 0.00 179.01 178.90 3f29 h PHE 217 N 0.22 -0.00 -0.71 4.33 3.57 -1.13 -2.93 116.94 120.28 3f29 h PHE 217 Ca 0.06 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.71 3f29 h PHE 217 Cb 0.53 0.05 -0.09 0.00 2.79 0.00 0.00 35.95 39.23 3f29 h PHE 217 CO 0.05 -0.04 0.28 0.00 -2.23 0.00 0.00 178.31 176.37 3f29 h ALA 218 N 1.25 0.97 0.00 2.41 0.00 -0.47 -1.59 119.26 121.83 3f29 h ALA 218 Ca 0.14 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3f29 h ALA 218 Cb 0.18 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3f29 h ALA 218 CO -0.23 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 178.83 3f29 h ARG 219 N 0.45 0.00 -0.01 0.00 3.08 -1.32 -1.62 114.38 114.96 3f29 h ARG 219 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 3f29 h ARG 219 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3f29 h ARG 219 CO -0.36 0.00 -0.08 -0.25 -1.07 0.00 0.00 179.97 178.21 3f29 n ASP 220 N -2.81 1.39 -4.40 7.04 9.92 -0.60 -4.94 116.55 122.16 3f29 n ASP 220 Ca -0.01 -1.33 -0.31 0.00 -0.53 0.00 0.00 54.79 52.62 3f29 n ASP 220 Cb 0.15 0.04 -0.14 0.00 -0.64 0.00 0.00 41.12 40.53 3f29 n ASP 220 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3f29 s LEU 221 N -2.16 2.38 0.00 0.64 1.43 -0.61 -4.94 118.68 115.43 3f29 s LEU 221 Ca 0.33 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3f29 s LEU 221 Cb 0.20 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 45.01 3f29 s LEU 221 CO 0.39 0.28 0.00 0.59 0.23 0.00 0.00 176.35 177.84 3f29 n ASN 222 N 1.87 1.03 -4.62 2.29 4.13 -1.26 -4.68 115.26 114.01 3f29 n ASN 222 Ca -0.16 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.76 3f29 n ASN 222 Cb 0.52 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.65 3f29 n ASN 222 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3f29 s HIS 223 N -1.50 3.01 0.43 3.10 3.76 -1.26 -0.49 115.29 122.33 3f29 s HIS 223 Ca 0.00 0.07 -0.16 0.00 -0.15 0.00 0.00 55.06 54.82 3f29 s HIS 223 Cb 0.00 -1.72 -0.08 0.00 1.11 0.00 0.00 32.58 31.89 3f29 s HIS 223 CO 0.00 0.39 0.87 -1.25 -0.85 0.00 0.00 174.74 173.89 3f29 s PRO 224 N -0.96 3.98 -0.34 8.40 0.04 -1.26 -4.42 135.00 140.43 3f29 s PRO 224 Ca 0.14 0.80 -0.00 0.00 0.04 0.00 0.00 61.00 61.98 3f29 s PRO 224 Cb -0.11 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.15 3f29 s PRO 224 CO 0.03 -0.06 0.25 -0.11 0.04 0.00 0.00 177.00 177.15 3f29 n LEU 225 N -1.04 -0.75 -4.75 -3.56 7.94 -0.98 -4.77 117.00 109.08 3f29 n LEU 225 Ca 0.05 -0.41 -0.39 0.00 -1.11 0.00 0.00 56.01 54.15 3f29 n LEU 225 Cb 0.54 -0.67 0.03 0.00 0.53 0.00 0.00 43.42 43.85 3f29 n LEU 225 CO 0.44 0.17 1.02 0.59 -1.11 0.00 0.00 177.39 178.50 3f29 n ASN 226 N -0.79 2.98 -0.09 1.96 4.13 -1.26 -4.85 115.26 117.34 3f29 n ASN 226 Ca -0.14 1.04 0.16 0.00 1.68 0.00 0.00 54.58 57.33 3f29 n ASN 226 Cb 0.29 -1.59 0.56 0.00 -1.54 0.00 0.00 39.78 37.51 3f29 n ASN 226 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3f29 n PHE 228 N -4.44 0.00 0.24 0.00 1.16 -1.26 -3.00 117.46 110.16 3f29 n PHE 228 Ca 0.12 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.80 3f29 n PHE 228 Cb 0.52 -0.01 0.63 0.00 -1.61 0.00 0.00 39.48 39.01 3f29 n PHE 228 CO 0.00 0.00 0.00 0.52 -1.87 0.00 0.00 176.76 175.41 3f29 h MET 229 N 0.00 0.00 0.00 3.97 2.86 -1.49 -3.25 114.93 117.02 3f29 h MET 229 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3f29 h MET 229 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3f29 h MET 229 CO 0.00 0.17 -0.21 0.00 1.06 0.00 0.00 176.91 177.93 3f29 s HIS 231 N -1.26 1.33 0.08 0.00 3.76 -1.19 -1.61 115.29 116.40 3f29 s HIS 231 Ca 0.00 -0.60 -0.31 0.00 -0.15 0.00 0.00 55.06 54.01 3f29 s HIS 231 Cb 0.01 -1.11 -0.08 0.00 1.11 0.00 0.00 32.58 32.51 3f29 s HIS 231 CO 0.05 -0.43 1.54 0.34 -0.85 0.00 0.00 174.74 175.39 3f29 s ASP 232 N 1.50 6.68 0.55 1.40 2.15 0.08 -4.31 116.67 124.72 3f29 s ASP 232 Ca 0.00 2.41 0.33 0.00 0.43 0.00 0.00 52.55 55.73 3f29 s ASP 232 Cb -0.13 -2.57 1.35 0.00 -0.30 0.00 0.00 42.92 41.26 3f29 s ASP 232 CO -0.05 -0.80 1.98 1.55 -0.17 0.00 0.00 175.17 177.67 3f29 h PRO 233 N 7.67 0.00 0.03 4.34 0.13 -1.90 0.47 132.00 142.75 3f29 h PRO 233 Ca -0.42 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.48 3f29 h PRO 233 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3f29 h PRO 233 CO 0.91 0.01 -1.24 0.45 -0.23 0.00 0.00 178.00 177.91 3f29 h HIS 234 N 0.00 0.13 0.00 1.56 3.86 -1.95 -3.39 115.15 115.37 3f29 h HIS 234 Ca -0.00 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 3f29 h HIS 234 Cb 0.52 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.99 3f29 h HIS 234 CO 0.00 1.48 -1.00 -1.13 0.86 0.00 0.00 177.93 178.14 3f29 n SER 235 N -4.26 0.67 0.00 2.45 3.41 -1.23 -3.97 113.62 110.69 3f29 n SER 235 Ca -0.29 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 3f29 n SER 235 Cb 0.74 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 65.31 3f29 n SER 235 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f29 n ALA 236 N -1.99 0.00 -1.98 7.33 0.00 0.17 -2.58 120.51 121.45 3f29 n ALA 236 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.17 3f29 n ALA 236 Cb 0.49 -1.25 0.04 0.00 0.00 0.00 0.00 19.45 18.72 3f29 n ALA 236 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3f29 s GLY 237 N -2.00 1.61 0.34 0.00 0.00 -1.25 -4.57 107.32 101.46 3f29 s GLY 237 Ca 0.00 -0.50 -0.27 0.00 0.00 0.00 0.00 44.72 43.95 3f29 s GLY 237 CO 0.00 -0.18 1.14 2.56 0.00 0.00 0.00 173.10 176.62 3f29 s PRO 238 N -5.17 4.35 0.31 2.90 0.04 -1.26 -0.74 135.00 135.43 3f29 s PRO 238 Ca 0.56 1.82 -0.15 0.00 0.04 0.00 0.00 61.00 63.27 3f29 s PRO 238 Cb -0.11 -2.92 0.02 0.00 0.04 0.00 0.00 34.50 31.54 3f29 s PRO 238 CO 0.49 -0.06 0.65 -0.98 0.04 0.00 0.00 177.00 177.14 3f29 s ARG 239 N -1.92 1.86 0.21 4.56 1.70 -0.63 -1.25 118.95 123.48 3f29 s ARG 239 Ca 0.51 -1.26 0.10 0.00 -0.47 0.00 0.00 55.73 54.60 3f29 s ARG 239 Cb -0.31 0.56 -0.05 0.00 -0.57 0.00 0.00 34.95 34.58 3f29 s ARG 239 CO 0.40 -0.83 -0.19 0.14 -1.08 0.00 0.00 175.30 173.74 3f29 s VAL 240 N -3.42 2.09 0.00 4.99 -7.23 0.33 -4.22 120.40 112.94 3f29 s VAL 240 Ca 0.17 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 3f29 s VAL 240 Cb -0.04 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.83 3f29 s VAL 240 CO 0.10 -0.36 0.02 1.33 -0.31 0.00 0.00 175.10 175.88 3f29 n VAL 241 N -0.12 0.00 -2.26 1.32 0.24 -1.24 -0.46 118.33 115.80 3f29 n VAL 241 Ca -0.10 -0.47 -0.43 0.00 -2.04 0.00 0.00 64.34 61.31 3f29 n VAL 241 Cb 0.58 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.93 3f29 n VAL 241 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3f29 s ARG 242 N -0.89 4.14 0.14 7.34 6.06 -1.26 -4.82 118.95 129.66 3f29 s ARG 242 Ca 0.00 1.78 -0.18 0.00 -2.50 0.00 0.00 55.73 54.83 3f29 s ARG 242 Cb 0.00 -3.87 -0.01 0.00 0.06 0.00 0.00 34.95 31.13 3f29 s ARG 242 CO 0.00 -0.85 1.77 0.38 -2.50 0.00 0.00 175.30 174.10 3f29 h ASP 243 N 8.98 0.23 -0.71 -2.12 3.04 -1.96 -2.37 116.42 121.50 3f29 h ASP 243 Ca -0.31 0.01 0.09 0.00 -3.24 0.00 0.00 57.03 53.58 3f29 h ASP 243 Cb 1.13 -0.04 -0.05 0.00 -1.04 0.00 0.00 39.33 39.34 3f29 h ASP 243 CO 0.97 0.17 0.47 1.23 -2.04 0.00 0.00 179.24 180.04 3f29 h GLY 244 N 0.31 0.87 0.63 7.15 0.00 -1.91 0.73 103.07 110.86 3f29 h GLY 244 Ca 0.11 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 3f29 h GLY 244 CO -0.07 0.16 -0.16 -2.00 0.00 0.00 0.00 176.54 174.47 3f29 h LEU 245 N 0.63 0.28 -0.78 3.11 5.85 -1.79 -2.40 115.31 120.21 3f29 h LEU 245 Ca 0.32 -0.57 0.06 0.00 0.84 0.00 0.00 57.88 58.54 3f29 h LEU 245 Cb 0.43 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 3f29 h LEU 245 CO -0.11 0.79 0.47 0.40 -0.34 0.00 0.00 178.44 179.65 3f29 h ILE 246 N -0.22 1.00 -0.39 4.05 2.04 -0.95 -0.66 117.51 122.39 3f29 h ILE 246 Ca 0.00 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.60 3f29 h ILE 246 Cb 0.75 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3f29 h ILE 246 CO 0.04 0.15 0.18 -1.13 0.00 0.00 0.00 178.15 177.39 3f29 h ASN 247 N 0.85 0.26 -0.01 1.72 -0.73 -0.85 0.22 115.58 117.04 3f29 h ASN 247 Ca 0.35 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.54 3f29 h ASN 247 Cb 0.19 -0.02 -0.00 0.00 0.27 0.00 0.00 38.32 38.76 3f29 h ASN 247 CO -0.18 0.19 0.00 0.00 -0.37 0.00 0.00 177.43 177.07 3f29 h ALA 248 N 1.21 0.01 -0.13 1.57 0.00 -1.06 -0.50 119.26 120.36 3f29 h ALA 248 Ca 0.17 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3f29 h ALA 248 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3f29 h ALA 248 CO -0.13 -0.34 -0.27 0.28 0.00 0.00 0.00 179.25 178.80 3f29 h VAL 249 N -0.28 1.37 0.00 0.00 2.07 -0.98 -2.90 116.25 115.52 3f29 h VAL 249 Ca 0.00 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 65.98 3f29 h VAL 249 Cb 0.30 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3f29 h VAL 249 CO 0.00 0.45 -0.82 0.52 0.02 0.00 0.00 177.57 177.75 3f29 n VAL 250 N -4.43 1.37 -0.36 2.57 0.31 0.76 -1.96 118.33 116.58 3f29 n VAL 250 Ca -0.07 0.19 -0.02 0.00 -0.01 0.00 0.00 64.34 64.44 3f29 n VAL 250 Cb 0.45 -2.20 0.11 0.00 -0.91 0.00 0.00 33.84 31.30 3f29 n VAL 250 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3f29 h ASP 251 N -0.82 1.10 -0.18 4.52 3.32 -1.30 -0.82 116.42 122.25 3f29 h ASP 251 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3f29 h ASP 251 Cb 0.82 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3f29 h ASP 251 CO 0.00 0.78 0.00 0.54 -1.72 0.00 0.00 179.24 178.84 3f29 n ARG 252 N -4.42 1.95 -1.78 3.56 1.74 -0.23 -4.95 116.66 112.52 3f29 n ARG 252 Ca 0.12 -1.42 -0.19 0.00 -0.77 0.00 0.00 57.85 55.59 3f29 n ARG 252 Cb 0.03 -1.44 -0.06 0.00 -1.02 0.00 0.00 32.46 29.97 3f29 n ARG 252 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f29 n GLY 253 N 1.24 1.19 0.20 -0.13 0.00 -0.32 -4.86 105.19 102.52 3f29 n GLY 253 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 3f29 n GLY 253 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3f29 h LEU 254 N 0.00 0.00 0.00 0.99 3.38 -1.33 -3.48 115.31 114.87 3f29 h LEU 254 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3f29 h LEU 254 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3f29 h LEU 254 CO 0.56 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.93 3f29 n GLY 255 N 0.74 -0.99 0.17 0.83 0.00 -0.83 -3.90 105.19 101.21 3f29 n GLY 255 Ca 0.02 -1.62 0.02 0.00 0.00 0.00 0.00 46.02 44.44 3f29 n GLY 255 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3f29 h THR 256 N 0.00 1.28 -2.97 2.61 1.35 -1.84 -3.35 112.91 109.99 3f29 h THR 256 Ca 0.00 -1.60 -0.61 0.00 -0.55 0.00 0.00 66.41 63.65 3f29 h THR 256 Cb 0.00 1.87 -0.40 0.00 -1.73 0.00 0.00 68.15 67.89 3f29 h THR 256 CO 0.00 0.45 -0.72 -0.31 -0.25 0.00 0.00 175.52 174.68 3f29 s TYR 257 N -3.92 2.31 0.63 4.73 1.51 -1.26 -4.98 117.35 116.37 3f29 s TYR 257 Ca -0.02 -2.68 0.37 0.00 -1.01 0.00 0.00 57.07 53.74 3f29 s TYR 257 Cb 0.13 -2.02 2.12 0.00 -0.11 0.00 0.00 41.96 42.08 3f29 s TYR 257 CO 0.73 -0.74 2.31 -1.35 -1.11 0.00 0.00 175.55 175.39 3f29 h PRO 258 N 6.30 0.00 -0.00 -1.71 0.11 -1.70 0.21 132.00 135.20 3f29 h PRO 258 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3f29 h PRO 258 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3f29 h PRO 258 CO 0.54 0.00 -0.20 -2.39 -0.21 0.00 0.00 178.00 175.74 3f29 n HIS 259 N -3.47 0.00 -3.40 0.65 1.44 -1.26 -4.71 115.22 104.48 3f29 n HIS 259 Ca -0.03 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.46 3f29 n HIS 259 Cb 0.08 -0.18 -0.09 0.00 0.12 0.00 0.00 29.99 29.92 3f29 n HIS 259 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3f29 s ASP 260 N -2.56 1.87 0.49 4.39 -1.08 0.73 -5.00 116.67 115.51 3f29 s ASP 260 Ca 0.25 -1.86 0.14 0.00 -0.52 0.00 0.00 52.55 50.56 3f29 s ASP 260 Cb 0.19 0.17 1.18 0.00 -1.46 0.00 0.00 42.92 43.01 3f29 s ASP 260 CO 0.52 -0.27 2.12 1.55 0.52 0.00 0.00 175.17 179.61 3f29 h PRO 261 N 6.99 0.13 0.11 4.34 0.13 -1.84 0.14 132.00 142.00 3f29 h PRO 261 Ca 0.06 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 3f29 h PRO 261 Cb 1.02 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3f29 h PRO 261 CO 0.22 0.08 -0.05 0.28 -0.23 0.00 0.00 178.00 178.30 3f29 h VAL 262 N 0.13 1.09 -0.87 1.56 2.07 -1.94 -2.08 116.25 116.21 3f29 h VAL 262 Ca 0.04 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 3f29 h VAL 262 Cb 0.01 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3f29 h VAL 262 CO -0.01 0.22 0.50 0.50 0.02 0.00 0.00 177.57 178.81 3f29 h LYS 263 N -0.61 1.19 -0.84 1.57 3.64 -1.88 -1.34 116.57 118.30 3f29 h LYS 263 Ca -0.02 -0.12 0.09 0.00 -1.27 0.00 0.00 60.65 59.33 3f29 h LYS 263 Cb 0.48 -0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 3f29 h LYS 263 CO 0.03 0.85 0.55 0.77 -2.27 0.00 0.00 179.45 179.37 3f29 h SER 264 N 1.21 0.75 -0.00 4.20 0.02 -0.94 0.96 113.55 119.74 3f29 h SER 264 Ca 0.31 0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 61.09 3f29 h SER 264 Cb -0.02 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.40 3f29 h SER 264 CO -0.05 0.46 -0.73 -0.08 -1.14 0.00 0.00 176.83 175.28 3f29 h GLU 265 N 0.84 0.50 -0.11 3.45 4.22 -0.62 -2.94 114.58 119.92 3f29 h GLU 265 Ca 0.38 -0.53 -0.11 0.00 0.08 0.00 0.00 59.36 59.18 3f29 h GLU 265 Cb 0.38 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3f29 h GLU 265 CO -0.15 1.17 -0.42 1.96 -2.18 0.00 0.00 179.01 179.39 3f29 h GLN 266 N 0.05 0.24 -2.18 1.92 4.20 -1.02 -3.33 115.11 114.99 3f29 h GLN 266 Ca -0.09 -0.12 -0.56 0.00 0.06 0.00 0.00 58.65 57.94 3f29 h GLN 266 Cb 1.42 -0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.79 3f29 h GLN 266 CO 0.14 0.62 -0.80 1.04 -0.67 0.00 0.00 178.83 179.17 3f29 n GLN 267 N -4.02 2.38 -1.31 1.46 6.02 0.31 -4.74 117.38 117.48 3f29 n GLN 267 Ca -0.02 -4.35 -0.02 0.00 -0.01 0.00 0.00 57.00 52.60 3f29 n GLN 267 Cb 0.48 -2.03 0.01 0.00 1.02 0.00 0.00 30.24 29.71 3f29 n GLN 267 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3f29 n GLY 268 N 0.21 2.11 2.99 1.08 0.00 -1.11 -4.70 105.19 105.77 3f29 n GLY 268 Ca 0.29 -2.15 -0.19 0.00 0.00 0.00 0.00 46.02 43.97 3f29 n GLY 268 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3f29 s MET 269 N -2.29 0.73 -0.21 1.61 1.75 -1.26 -1.47 119.30 118.16 3f29 s MET 269 Ca 0.06 -0.27 -0.02 0.00 -1.25 0.00 0.00 55.69 54.21 3f29 s MET 269 Cb -0.01 -0.70 -0.00 0.00 2.84 0.00 0.00 34.83 36.96 3f29 s MET 269 CO 0.04 0.14 -0.09 0.99 -0.65 0.00 0.00 175.02 175.45 3f29 s THR 270 N -0.01 3.00 -0.12 10.11 2.01 0.86 -4.91 115.64 126.58 3f29 s THR 270 Ca 0.00 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 3f29 s THR 270 Cb -0.05 -2.34 -0.01 0.00 0.01 0.00 0.00 72.50 70.10 3f29 s THR 270 CO -0.00 0.46 1.07 -0.75 -0.69 0.00 0.00 174.62 174.70 3f29 s LYS 271 N 1.41 4.37 -0.15 4.92 2.20 -1.26 -0.51 119.74 130.71 3f29 s LYS 271 Ca 0.05 1.46 -0.00 0.00 -0.36 0.00 0.00 55.97 57.12 3f29 s LYS 271 Cb -0.14 -3.57 -0.01 0.00 -1.51 0.00 0.00 37.83 32.60 3f29 s LYS 271 CO -0.06 -0.42 -0.14 0.08 -0.36 0.00 0.00 175.35 174.46 3f29 s VAL 272 N 2.33 2.84 -0.08 4.02 1.01 -0.04 -4.98 120.40 125.51 3f29 s VAL 272 Ca 0.50 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 3f29 s VAL 272 Cb -0.19 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 3f29 s VAL 272 CO 0.17 0.51 -0.04 -0.89 0.00 0.00 0.00 175.10 174.85 3f29 s THR 273 N 0.68 3.98 -0.01 3.92 2.01 -1.26 -1.14 115.64 123.83 3f29 s THR 273 Ca -0.07 -0.37 0.05 0.00 0.31 0.00 0.00 61.69 61.61 3f29 s THR 273 Cb -0.16 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 3f29 s THR 273 CO 0.02 0.60 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.05 3f29 s PHE 274 N -0.80 2.70 0.18 4.92 0.08 -0.06 -5.00 117.98 120.01 3f29 s PHE 274 Ca 0.12 -0.16 0.08 0.00 0.12 0.00 0.00 56.93 57.09 3f29 s PHE 274 Cb -0.11 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 3f29 s PHE 274 CO 0.02 0.26 -0.03 -0.65 -0.10 0.00 0.00 175.22 174.71 3f29 s GLN 275 N -1.14 2.29 -0.10 0.44 -0.21 -1.26 -0.86 119.66 118.83 3f29 s GLN 275 Ca 0.14 -1.18 0.02 0.00 0.02 0.00 0.00 55.36 54.36 3f29 s GLN 275 Cb -0.11 -2.28 0.01 0.00 1.00 0.00 0.00 33.01 31.64 3f29 s GLN 275 CO 0.04 0.44 -0.16 1.03 -2.12 0.00 0.00 175.29 174.52 3f29 s ARG 276 N -2.98 2.20 -1.46 2.91 1.81 0.00 -4.76 118.95 116.67 3f29 s ARG 276 Ca 0.27 -0.57 -0.06 0.00 -1.72 0.00 0.00 55.73 53.65 3f29 s ARG 276 Cb -0.09 -1.82 0.03 0.00 -0.45 0.00 0.00 34.95 32.62 3f29 s ARG 276 CO 0.18 -0.00 0.59 0.41 -0.68 0.00 0.00 175.30 175.80 3f29 n GLY 277 N 4.00 -0.51 2.42 -3.53 0.00 -1.26 -1.59 105.19 104.72 3f29 n GLY 277 Ca -0.20 0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 3f29 n GLY 277 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f29 n ARG 278 N -3.98 -1.09 -5.16 1.61 3.00 -1.26 -5.01 116.66 104.77 3f29 n ARG 278 Ca -0.07 0.99 -0.32 0.00 -0.01 0.00 0.00 57.85 58.44 3f29 n ARG 278 Cb 0.59 -5.17 -0.15 0.00 0.00 0.00 0.00 32.46 27.73 3f29 n ARG 278 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 3f29 s GLU 279 N -3.55 2.39 0.22 5.56 2.12 -0.62 -5.08 118.70 119.74 3f29 s GLU 279 Ca 0.00 -0.85 -0.31 0.00 0.36 0.00 0.00 54.97 54.17 3f29 s GLU 279 Cb 0.00 -2.19 -0.14 0.00 0.26 0.00 0.00 34.13 32.06 3f29 s GLU 279 CO 0.00 0.52 1.23 -0.25 -0.54 0.00 0.00 175.26 176.22 3f29 n ASP 280 N 2.58 1.89 0.08 -1.70 8.00 -1.26 -0.82 116.55 125.32 3f29 n ASP 280 Ca -0.17 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.48 3f29 n ASP 280 Cb 0.52 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.30 3f29 n ASP 280 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3f29 n PHE 281 N 1.40 -0.79 -4.31 1.24 7.35 -0.04 -4.74 117.46 117.57 3f29 n PHE 281 Ca 0.13 0.14 -0.16 0.00 -0.76 0.00 0.00 57.45 56.79 3f29 n PHE 281 Cb 0.29 0.19 -0.10 0.00 0.35 0.00 0.00 39.48 40.21 3f29 n PHE 281 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 3f29 s ARG 282 N -1.91 1.35 0.04 -4.13 1.70 -0.88 -0.74 118.95 114.39 3f29 s ARG 282 Ca 0.00 -1.71 -0.11 0.00 -0.47 0.00 0.00 55.73 53.44 3f29 s ARG 282 Cb 0.00 -0.36 0.01 0.00 -0.57 0.00 0.00 34.95 34.03 3f29 s ARG 282 CO 0.00 -0.22 0.23 0.00 -1.08 0.00 0.00 175.30 174.22 3f29 s ALA 283 N -3.65 -0.45 0.27 7.88 0.00 -1.26 -0.88 121.76 123.66 3f29 s ALA 283 Ca 0.33 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.11 3f29 s ALA 283 Cb 0.07 0.31 -0.06 0.00 0.00 0.00 0.00 23.12 23.44 3f29 s ALA 283 CO 0.11 -0.39 0.03 0.96 0.00 0.00 0.00 175.76 176.48 3f29 s ILE 284 N -2.63 1.00 -0.28 0.00 -4.36 -0.29 -4.85 121.20 109.78 3f29 s ILE 284 Ca -0.04 -2.02 0.02 0.00 -0.26 0.00 0.00 60.65 58.35 3f29 s ILE 284 Cb -0.01 -2.54 0.08 0.00 1.25 0.00 0.00 42.46 41.24 3f29 s ILE 284 CO -0.04 -0.16 -0.01 -0.83 0.24 0.00 0.00 174.94 174.13 3f29 s GLY 285 N -3.36 1.54 0.09 6.27 0.00 0.40 -0.86 107.32 111.40 3f29 s GLY 285 Ca 0.33 -1.85 -0.30 0.00 0.00 0.00 0.00 44.72 42.89 3f29 s GLY 285 CO 0.12 0.95 1.08 1.08 0.00 0.00 0.00 173.10 176.33 3f29 s LEU 286 N 1.21 4.43 0.04 0.66 1.43 0.33 -0.51 118.68 126.26 3f29 s LEU 286 Ca 0.01 1.92 -0.13 0.00 -1.03 0.00 0.00 54.13 54.89 3f29 s LEU 286 Cb -0.19 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.39 3f29 s LEU 286 CO -0.09 -0.28 0.43 -0.76 0.23 0.00 0.00 176.35 175.88 3f29 s LEU 287 N 0.46 4.42 0.36 1.79 1.43 -0.38 -0.10 118.68 126.67 3f29 s LEU 287 Ca 0.53 0.94 0.06 0.00 -1.03 0.00 0.00 54.13 54.63 3f29 s LEU 287 Cb -0.26 -2.80 0.69 0.00 0.03 0.00 0.00 46.19 43.84 3f29 s LEU 287 CO 0.31 0.25 1.91 0.44 0.23 0.00 0.00 176.35 179.48 3f29 h ASP 288 N 4.26 0.40 -4.32 2.29 3.32 -1.57 -3.43 116.42 117.36 3f29 h ASP 288 Ca -0.50 -0.07 -0.31 0.00 0.02 0.00 0.00 57.03 56.16 3f29 h ASP 288 Cb 1.21 -0.10 -0.15 0.00 0.22 0.00 0.00 39.33 40.51 3f29 h ASP 288 CO 0.63 0.48 -0.66 0.42 -1.72 0.00 0.00 179.24 178.39 3f29 s THR 289 N -4.93 0.79 -1.30 0.35 -4.23 -1.26 -5.01 115.64 100.06 3f29 s THR 289 Ca -0.07 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.28 3f29 s THR 289 Cb 0.16 -2.16 -0.01 0.00 1.34 0.00 0.00 72.50 71.83 3f29 s THR 289 CO 0.75 -0.45 2.16 0.00 -0.54 0.00 0.00 174.62 176.53 3f29 n ALA 290 N -0.28 5.01 -3.09 3.99 0.00 -1.26 -4.84 120.51 120.03 3f29 n ALA 290 Ca -0.06 -3.75 -0.45 0.00 0.00 0.00 0.00 53.44 49.18 3f29 n ALA 290 Cb 0.63 -3.56 -0.05 0.00 0.00 0.00 0.00 19.45 16.47 3f29 n ALA 290 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3f29 s ASP 291 N 3.64 6.19 0.51 0.00 -1.08 -1.26 -4.92 116.67 119.74 3f29 s ASP 291 Ca 0.50 -1.42 0.18 0.00 -0.52 0.00 0.00 52.55 51.28 3f29 s ASP 291 Cb 0.14 -2.28 1.27 0.00 -1.46 0.00 0.00 42.92 40.59 3f29 s ASP 291 CO -0.04 -1.03 2.12 0.77 0.52 0.00 0.00 175.17 177.50 3f29 h SER 292 N 9.11 0.00 -0.83 -0.34 4.64 -1.97 -2.18 113.55 121.97 3f29 h SER 292 Ca -0.29 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.16 3f29 h SER 292 Cb 1.09 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.09 3f29 h SER 292 CO 1.07 0.06 0.43 0.78 -0.87 0.00 0.00 176.83 178.30 3f29 h ASN 293 N 0.00 0.54 0.41 4.97 2.35 -1.92 0.18 115.58 122.11 3f29 h ASN 293 Ca -0.00 0.08 -0.31 0.00 -0.55 0.00 0.00 56.30 55.52 3f29 h ASN 293 Cb 0.11 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.48 3f29 h ASN 293 CO 0.01 0.25 -1.47 0.58 -1.65 0.00 0.00 177.43 175.14 3f29 h VAL 294 N 0.64 1.25 -0.26 2.81 2.07 -1.80 -2.70 116.25 118.27 3f29 h VAL 294 Ca 0.44 -2.80 0.02 0.00 0.82 0.00 0.00 66.70 65.18 3f29 h VAL 294 Cb 0.58 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 33.23 3f29 h VAL 294 CO -0.34 0.84 0.11 0.24 0.02 0.00 0.00 177.57 178.44 3f29 h MET 295 N 0.10 0.23 -0.01 1.57 2.86 -0.95 -2.78 114.93 115.95 3f29 h MET 295 Ca -0.23 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.30 3f29 h MET 295 Cb 2.07 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.66 3f29 h MET 295 CO 0.21 0.15 -0.45 0.00 1.06 0.00 0.00 176.91 177.88 3f29 n ALA 297 N -2.46 1.66 0.27 0.00 0.00 -1.02 -1.70 120.51 117.27 3f29 n ALA 297 Ca -0.02 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.49 3f29 n ALA 297 Cb 0.47 -1.14 0.76 0.00 0.00 0.00 0.00 19.45 19.54 3f29 n ALA 297 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3f29 h GLN 298 N 0.00 0.00 0.00 0.00 4.20 -1.47 -3.39 115.11 114.46 3f29 h GLN 298 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3f29 h GLN 298 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3f29 h GLN 298 CO 0.00 0.04 -0.31 0.00 -0.67 0.00 0.00 178.83 177.89 3f29 n HIS 300 N -1.23 2.61 -4.14 0.00 8.25 -0.69 -4.85 115.22 115.18 3f29 n HIS 300 Ca 0.00 -2.91 -0.09 0.00 -0.26 0.00 0.00 57.72 54.46 3f29 n HIS 300 Cb 0.15 -2.07 -0.10 0.00 1.12 0.00 0.00 29.99 29.10 3f29 n HIS 300 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3f29 s VAL 301 N 0.12 0.26 0.16 1.59 -7.23 -0.69 -1.47 120.40 113.13 3f29 s VAL 301 Ca 0.57 -1.89 -0.26 0.00 -1.81 0.00 0.00 61.98 58.59 3f29 s VAL 301 Cb 0.17 -1.85 -0.08 0.00 0.56 0.00 0.00 36.38 35.19 3f29 s VAL 301 CO -0.08 -0.68 0.81 -0.70 -0.31 0.00 0.00 175.10 174.14 3f29 s GLU 302 N -3.97 4.61 0.18 4.82 2.56 -1.14 -4.42 118.70 121.35 3f29 s GLU 302 Ca 0.17 1.22 -0.14 0.00 0.00 0.00 0.00 54.97 56.22 3f29 s GLU 302 Cb 0.07 -3.28 0.01 0.00 2.00 0.00 0.00 34.13 32.93 3f29 s GLU 302 CO -0.02 0.52 0.42 1.52 -0.56 0.00 0.00 175.26 177.13 3f29 s TYR 303 N -0.98 0.10 -0.16 5.30 1.13 -1.26 -3.51 117.35 117.96 3f29 s TYR 303 Ca 0.37 -0.45 -0.06 0.00 -1.41 0.00 0.00 57.07 55.52 3f29 s TYR 303 Cb -0.23 0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 40.79 3f29 s TYR 303 CO 0.27 -0.83 0.03 1.21 -2.51 0.00 0.00 175.55 173.73 3f29 s ASN 304 N -2.91 5.42 -0.38 -0.18 2.47 0.88 -4.83 114.94 115.40 3f29 s ASN 304 Ca 0.12 0.06 0.12 0.00 0.42 0.00 0.00 52.86 53.57 3f29 s ASN 304 Cb 0.01 -1.87 0.39 0.00 -1.45 0.00 0.00 41.25 38.33 3f29 s ASN 304 CO -0.02 0.21 1.08 0.00 -3.72 0.00 0.00 177.10 174.65 3f29 s ASN 306 N -2.00 -0.11 0.89 0.00 4.22 -1.11 -4.54 114.94 112.29 3f29 s ASN 306 Ca 0.27 0.01 -0.12 0.00 -2.14 0.00 0.00 52.86 50.88 3f29 s ASN 306 Cb 0.39 0.11 0.13 0.00 1.28 0.00 0.00 41.25 43.16 3f29 s ASN 306 CO -0.04 -0.17 1.10 -2.16 -2.04 0.00 0.00 177.10 173.79 3f29 s PRO 307 N -2.21 1.28 0.00 3.55 0.04 -1.26 -4.49 135.00 131.90 3f29 s PRO 307 Ca 0.10 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.71 3f29 s PRO 307 Cb -0.01 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.70 3f29 s PRO 307 CO -0.04 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.24 3f29 n GLY 308 N -1.64 2.91 3.13 0.56 0.00 -0.06 -4.93 105.19 105.16 3f29 n GLY 308 Ca 0.06 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 3f29 n GLY 308 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f29 s TYR 309 N -0.76 0.32 0.11 1.61 2.02 -0.50 -0.16 117.35 119.99 3f29 s TYR 309 Ca 0.00 -0.75 -0.25 0.00 -0.37 0.00 0.00 57.07 55.70 3f29 s TYR 309 Cb 0.00 -0.22 -0.07 0.00 -0.40 0.00 0.00 41.96 41.27 3f29 s TYR 309 CO 0.00 -0.41 0.78 -0.65 -1.57 0.00 0.00 175.55 173.69 3f29 s GLN 310 N -3.43 4.54 0.24 -0.62 -0.21 0.46 -0.46 119.66 120.18 3f29 s GLN 310 Ca 0.02 1.13 -0.05 0.00 0.02 0.00 0.00 55.36 56.48 3f29 s GLN 310 Cb 0.04 -3.31 0.26 0.00 1.00 0.00 0.00 33.01 31.00 3f29 s GLN 310 CO -0.08 0.43 1.82 -0.07 -2.12 0.00 0.00 175.29 175.27 3f29 h LEU 311 N 4.95 1.00 0.35 2.90 3.38 -1.82 0.82 115.31 126.88 3f29 h LEU 311 Ca -0.46 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 3f29 h LEU 311 Cb 1.21 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3f29 h LEU 311 CO 0.68 0.88 -0.17 0.77 0.09 0.00 0.00 178.44 180.70 3f29 h SER 312 N 1.07 -0.39 0.00 -0.43 4.64 -1.93 -3.38 113.55 113.12 3f29 h SER 312 Ca 0.25 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3f29 h SER 312 Cb 0.19 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3f29 h SER 312 CO -0.02 -0.24 0.00 -0.90 -0.87 0.00 0.00 176.83 174.80 3f29 n ASP 313 N -5.27 0.74 -0.04 4.97 5.75 -1.25 -5.02 116.55 116.44 3f29 n ASP 313 Ca -0.10 -1.17 -0.01 0.00 -0.01 0.00 0.00 54.79 53.50 3f29 n ASP 313 Cb 0.22 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.30 3f29 n ASP 313 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3f29 n GLY 314 N -0.09 0.35 3.81 6.12 0.00 0.28 -4.97 105.19 110.70 3f29 n GLY 314 Ca 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3f29 n GLY 314 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f29 s SER 315 N -2.06 6.15 0.21 1.61 1.04 -1.26 -4.52 113.70 114.86 3f29 s SER 315 Ca 0.00 1.75 -0.31 0.00 0.48 0.00 0.00 55.95 57.87 3f29 s SER 315 Cb 0.00 -2.53 -0.10 0.00 0.10 0.00 0.00 66.02 63.49 3f29 s SER 315 CO 0.00 -0.92 1.47 -0.60 0.98 0.00 0.00 173.24 174.17 3f29 s ARG 316 N -3.95 4.26 -0.34 4.02 3.00 -1.26 -0.40 118.95 124.29 3f29 s ARG 316 Ca 0.63 2.28 -0.06 0.00 -1.00 0.00 0.00 55.73 57.58 3f29 s ARG 316 Cb -0.14 -3.14 0.04 0.00 0.00 0.00 0.00 34.95 31.71 3f29 s ARG 316 CO 0.32 -0.47 0.09 0.08 0.00 0.00 0.00 175.30 175.33 3f29 s VAL 317 N 0.46 3.65 0.69 7.11 1.01 0.78 -4.86 120.40 129.24 3f29 s VAL 317 Ca 0.63 -1.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 3f29 s VAL 317 Cb -0.42 -3.09 0.10 0.00 0.00 0.00 0.00 36.38 32.97 3f29 s VAL 317 CO 0.38 -0.19 0.96 -0.83 0.00 0.00 0.00 175.10 175.42 3f29 s GLY 318 N 1.42 1.77 0.57 4.51 0.00 -1.26 -0.88 107.32 113.44 3f29 s GLY 318 Ca -0.02 -1.44 0.26 0.00 0.00 0.00 0.00 44.72 43.53 3f29 s GLY 318 CO 0.02 -0.96 2.06 -0.33 0.00 0.00 0.00 173.10 173.89 3f29 h MET 319 N -0.46 0.00 0.00 2.90 2.86 -1.89 -1.71 114.93 116.62 3f29 h MET 319 Ca -0.40 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.22 3f29 h MET 319 Cb 1.28 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.94 3f29 h MET 319 CO 0.47 0.00 -0.09 0.38 1.06 0.00 0.00 176.91 178.72 3f29 h ASP 320 N 0.00 0.00 -3.75 1.22 2.03 -1.93 -3.43 116.42 110.56 3f29 h ASP 320 Ca 0.13 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.94 3f29 h ASP 320 Cb 0.65 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.13 3f29 h ASP 320 CO -0.00 0.09 0.38 -0.62 -1.03 0.00 0.00 179.24 178.06 3f29 s ASP 321 N -5.92 7.55 0.54 4.15 -1.08 -0.64 -4.94 116.67 116.33 3f29 s ASP 321 Ca -0.02 2.02 0.28 0.00 -0.52 0.00 0.00 52.55 54.31 3f29 s ASP 321 Cb 0.12 -2.61 1.44 0.00 -1.46 0.00 0.00 42.92 40.40 3f29 s ASP 321 CO 0.56 0.07 1.96 0.03 0.52 0.00 0.00 175.17 178.31 3f29 h ARG 322 N 4.17 0.00 0.00 4.34 2.47 -1.87 -1.82 114.38 121.67 3f29 h ARG 322 Ca -0.45 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 3f29 h ARG 322 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 3f29 h ARG 322 CO 0.68 0.00 0.00 0.00 0.56 0.00 0.00 179.97 181.21 3f29 h ARG 323 N 0.00 0.00 0.00 0.04 3.08 -1.92 -1.40 114.38 114.18 3f29 h ARG 323 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3f29 h ARG 323 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3f29 h ARG 323 CO -0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3f29 n ALA 324 N -1.81 2.07 -3.60 0.04 0.00 -0.68 -4.05 120.51 112.47 3f29 n ALA 324 Ca 0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 3f29 n ALA 324 Cb 0.14 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.10 3f29 n ALA 324 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3f29 s ASN 325 N -2.85 3.34 -0.06 0.00 2.47 -0.53 -2.74 114.94 114.58 3f29 s ASN 325 Ca 0.15 -2.44 -0.02 0.00 0.42 0.00 0.00 52.86 50.96 3f29 s ASN 325 Cb 0.15 -0.76 0.04 0.00 -1.45 0.00 0.00 41.25 39.22 3f29 s ASN 325 CO 0.38 -0.28 0.11 -2.28 -3.72 0.00 0.00 177.10 171.32 3f29 s HIS 326 N 0.65 -0.11 -0.29 0.43 2.46 -0.67 -4.89 115.29 112.88 3f29 s HIS 326 Ca 0.18 0.40 -0.11 0.00 0.47 0.00 0.00 55.06 56.00 3f29 s HIS 326 Cb -0.23 -0.16 -0.04 0.00 -0.13 0.00 0.00 32.58 32.02 3f29 s HIS 326 CO 0.00 -0.16 0.18 -0.06 -2.47 0.00 0.00 174.74 172.24 3f29 s PHE 327 N 1.32 3.20 0.30 3.88 0.40 -1.26 -0.09 117.98 125.73 3f29 s PHE 327 Ca -0.07 -0.05 0.03 0.00 -0.60 0.00 0.00 56.93 56.24 3f29 s PHE 327 Cb -0.12 -2.38 0.47 0.00 0.51 0.00 0.00 43.02 41.50 3f29 s PHE 327 CO -0.05 -0.24 1.78 0.74 0.70 0.00 0.00 175.22 178.15 3f29 h PHE 328 N 8.38 0.55 -6.17 0.36 0.04 -1.93 -3.45 116.94 114.71 3f29 h PHE 328 Ca -0.34 -0.09 -0.44 0.00 2.80 0.00 0.00 57.97 59.89 3f29 h PHE 328 Cb 1.18 -0.14 0.02 0.00 2.20 0.00 0.00 35.95 39.21 3f29 h PHE 328 CO 0.72 0.64 -0.81 1.87 -0.60 0.00 0.00 178.31 180.13 3f29 n TRP 329 N -4.18 -2.01 -3.84 -0.55 -0.00 -1.26 -4.97 117.44 100.63 3f29 n TRP 329 Ca 0.00 0.85 -0.12 0.00 -0.00 0.00 0.00 57.50 58.23 3f29 n TRP 329 Cb 0.34 -4.24 -0.14 0.00 -0.00 0.00 0.00 31.31 27.28 3f29 n TRP 329 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3f29 s ALA 330 N -3.58 -0.16 1.08 5.87 0.00 -1.26 -5.01 121.76 118.70 3f29 s ALA 330 Ca 0.19 0.22 -0.16 0.00 0.00 0.00 0.00 51.96 52.21 3f29 s ALA 330 Cb -0.10 -0.14 0.23 0.00 0.00 0.00 0.00 23.12 23.12 3f29 s ALA 330 CO 0.82 -0.04 1.15 0.54 0.00 0.00 0.00 175.76 178.23 3f29 s ASN 331 N 0.16 2.02 0.35 0.00 2.20 -1.26 -4.69 114.94 113.71 3f29 s ASN 331 Ca -0.01 0.69 0.04 0.00 -0.94 0.00 0.00 52.86 52.64 3f29 s ASN 331 Cb -0.02 -1.01 0.68 0.00 -2.00 0.00 0.00 41.25 38.91 3f29 s ASN 331 CO -0.00 -3.45 1.96 1.62 -2.94 0.00 0.00 177.10 174.28 3f29 h VAL 332 N -2.12 1.05 0.00 3.54 3.04 -1.98 -0.24 116.25 119.54 3f29 h VAL 332 Ca -0.47 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 3f29 h VAL 332 Cb 1.29 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 3f29 h VAL 332 CO 0.43 0.15 -0.14 0.49 -1.01 0.00 0.00 177.57 177.49 3f29 n PHE 333 N -4.47 0.15 0.73 3.17 3.72 -1.26 -2.88 117.46 116.62 3f29 n PHE 333 Ca 0.11 0.04 0.08 0.00 -0.05 0.00 0.00 57.45 57.64 3f29 n PHE 333 Cb 0.20 -0.52 0.03 0.00 -0.94 0.00 0.00 39.48 38.25 3f29 n PHE 333 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3f29 n ASP 334 N -1.63 1.98 -0.09 4.37 8.00 -0.49 -4.73 116.55 123.96 3f29 n ASP 334 Ca 0.06 -1.49 -0.11 0.00 0.71 0.00 0.00 54.79 53.96 3f29 n ASP 334 Cb 0.36 0.28 -0.04 0.00 -0.02 0.00 0.00 41.12 41.70 3f29 n ASP 334 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3f29 h TYR 335 N 2.49 0.55 -0.76 1.24 3.20 -0.95 -1.87 116.97 120.87 3f29 h TYR 335 Ca 0.00 -0.11 0.04 0.00 3.14 0.00 0.00 58.73 61.80 3f29 h TYR 335 Cb 0.63 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 3f29 h TYR 335 CO 0.00 0.68 0.47 -0.22 -1.64 0.00 0.00 178.16 177.45 3f29 h LYS 336 N 0.26 0.87 -0.67 1.82 3.64 -1.85 0.11 116.57 120.74 3f29 h LYS 336 Ca 0.07 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 3f29 h LYS 336 Cb 0.49 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3f29 h LYS 336 CO 0.02 0.57 0.15 1.49 -2.27 0.00 0.00 179.45 179.41 3f29 h GLU 337 N 0.89 1.07 -0.63 1.90 4.81 -1.87 -0.88 114.58 119.87 3f29 h GLU 337 Ca 0.31 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3f29 h GLU 337 Cb 0.08 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 3f29 h GLU 337 CO -0.14 0.95 0.24 0.00 -0.73 0.00 0.00 179.01 179.34 3f29 h ALA 338 N 1.14 1.23 -0.15 2.92 0.00 -0.38 0.13 119.26 124.14 3f29 h ALA 338 Ca 0.21 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 3f29 h ALA 338 Cb 0.38 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.92 3f29 h ALA 338 CO 0.00 0.56 -0.75 0.00 0.00 0.00 0.00 179.25 179.06 3f29 h ALA 339 N 1.35 0.38 -0.54 0.00 0.00 -0.57 -3.10 119.26 116.77 3f29 h ALA 339 Ca 0.21 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3f29 h ALA 339 Cb 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3f29 h ALA 339 CO -0.02 0.70 0.11 1.96 0.00 0.00 0.00 179.25 182.00 3f29 h GLN 340 N 0.51 0.84 -0.98 0.00 4.20 -0.97 -0.21 115.11 118.50 3f29 h GLN 340 Ca -0.04 -0.18 0.18 0.00 0.06 0.00 0.00 58.65 58.67 3f29 h GLN 340 Cb 1.37 -0.12 -0.09 0.00 0.30 0.00 0.00 27.48 28.93 3f29 h GLN 340 CO 0.15 0.77 0.61 1.49 -0.67 0.00 0.00 178.83 181.18 3f29 h GLU 341 N 0.80 0.69 -0.38 1.46 4.81 -0.68 -1.17 114.58 120.12 3f29 h GLU 341 Ca 0.17 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3f29 h GLU 341 Cb 0.32 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3f29 h GLU 341 CO 0.00 0.46 0.00 0.44 -0.73 0.00 0.00 179.01 179.18 3f29 n ILE 342 N -4.68 0.70 -3.49 2.32 -5.35 -1.05 -5.02 119.36 102.78 3f29 n ILE 342 Ca 0.22 -0.85 -0.24 0.00 -0.27 0.00 0.00 62.75 61.61 3f29 n ILE 342 Cb 0.58 0.76 0.05 0.00 -1.74 0.00 0.00 39.64 39.29 3f29 n ILE 342 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3f29 n ASP 343 N 1.02 -5.94 -3.82 7.28 2.03 -0.14 -4.98 116.55 112.00 3f29 n ASP 343 Ca 0.15 -0.87 -0.12 0.00 0.52 0.00 0.00 54.79 54.47 3f29 n ASP 343 Cb 0.49 -4.16 -0.13 0.00 -0.72 0.00 0.00 41.12 36.60 3f29 n ASP 343 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3f29 s PHE 344 N -3.42 -0.12 0.16 -0.67 2.19 -0.92 -3.18 117.98 112.02 3f29 s PHE 344 Ca 0.46 0.32 0.01 0.00 0.33 0.00 0.00 56.93 58.04 3f29 s PHE 344 Cb -0.12 0.02 -0.04 0.00 -1.31 0.00 0.00 43.02 41.57 3f29 s PHE 344 CO 0.81 -0.07 0.02 -0.59 1.83 0.00 0.00 175.22 177.22 3f29 s PHE 345 N 0.20 1.12 -0.19 10.12 -0.71 0.39 -4.67 117.98 124.24 3f29 s PHE 345 Ca -0.01 -1.09 -0.18 0.00 -1.04 0.00 0.00 56.93 54.61 3f29 s PHE 345 Cb -0.02 -0.64 -0.21 0.00 -1.21 0.00 0.00 43.02 40.94 3f29 s PHE 345 CO -0.01 -0.31 0.24 -0.25 -1.34 0.00 0.00 175.22 173.55 3f29 n ASP 346 N -0.21 1.93 -3.74 1.98 9.92 -0.51 -1.40 116.55 124.52 3f29 n ASP 346 Ca -0.06 0.36 -0.10 0.00 -0.53 0.00 0.00 54.79 54.47 3f29 n ASP 346 Cb 0.63 -0.94 -0.04 0.00 -0.64 0.00 0.00 41.12 40.14 3f29 n ASP 346 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3f29 s PHE 347 N -2.42 -0.09 -0.19 1.24 -0.71 -1.00 -4.62 117.98 110.20 3f29 s PHE 347 Ca -0.27 -0.25 -0.09 0.00 -1.04 0.00 0.00 56.93 55.28 3f29 s PHE 347 Cb 0.06 0.34 -0.04 0.00 -1.21 0.00 0.00 43.02 42.16 3f29 s PHE 347 CO 0.64 -0.87 0.09 1.03 -1.34 0.00 0.00 175.22 174.77 3f29 s ARG 348 N -3.87 4.05 0.26 1.99 0.52 -1.26 -0.53 118.95 120.10 3f29 s ARG 348 Ca 0.09 -0.30 -0.31 0.00 -0.52 0.00 0.00 55.73 54.69 3f29 s ARG 348 Cb -0.00 -3.31 -0.12 0.00 0.52 0.00 0.00 34.95 32.04 3f29 s ARG 348 CO -0.04 0.25 1.65 -1.58 0.02 0.00 0.00 175.30 175.61 3f29 s HIS 349 N 0.45 2.80 0.37 -0.53 5.65 0.34 -4.67 115.29 119.72 3f29 s HIS 349 Ca 0.05 0.59 0.25 0.00 0.25 0.00 0.00 55.06 56.20 3f29 s HIS 349 Cb -0.12 -4.11 1.31 0.00 -1.18 0.00 0.00 32.58 28.48 3f29 s HIS 349 CO -0.00 -3.94 2.02 0.00 -0.65 0.00 0.00 174.74 172.17 3f29 h ALA 350 N 5.65 1.27 0.00 1.58 0.00 -1.43 -0.69 119.26 125.64 3f29 h ALA 350 Ca -0.45 -0.14 -0.46 0.00 0.00 0.00 0.00 54.91 53.86 3f29 h ALA 350 Cb 1.21 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 3f29 h ALA 350 CO 0.86 0.19 -2.50 2.41 0.00 0.00 0.00 179.25 180.22 3f29 n THR 351 N -3.66 1.53 0.15 0.00 -1.04 -1.26 -4.66 114.28 105.33 3f29 n THR 351 Ca -0.02 -0.37 0.10 0.00 -2.04 0.00 0.00 64.05 61.73 3f29 n THR 351 Cb 0.28 -1.89 0.07 0.00 -1.82 0.00 0.00 70.33 66.96 3f29 n THR 351 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3f29 h THR 352 N -1.00 0.09 0.00 12.58 1.35 -1.87 -3.44 112.91 120.62 3f29 h THR 352 Ca -0.69 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.03 3f29 h THR 352 Cb 1.60 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 3f29 h THR 352 CO -0.42 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.51 3f29 n GLY 353 N 1.16 0.68 3.77 5.82 0.00 -0.27 -4.93 105.19 111.42 3f29 n GLY 353 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3f29 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f29 s ALA 354 N -3.01 3.41 0.07 4.61 0.00 -1.26 -4.54 121.76 121.04 3f29 s ALA 354 Ca 0.00 1.29 -0.31 0.00 0.00 0.00 0.00 51.96 52.95 3f29 s ALA 354 Cb 0.00 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 3f29 s ALA 354 CO 0.00 -0.78 1.33 0.00 0.00 0.00 0.00 175.76 176.32 3f29 s ALA 355 N -1.19 3.53 0.07 0.00 0.00 -1.26 -0.50 121.76 122.41 3f29 s ALA 355 Ca 0.53 0.97 0.04 0.00 0.00 0.00 0.00 51.96 53.50 3f29 s ALA 355 Cb -0.40 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.16 3f29 s ALA 355 CO 0.53 -0.64 -0.11 -0.51 0.00 0.00 0.00 175.76 175.02 3f29 s LEU 356 N 1.45 2.31 0.44 0.00 1.43 0.31 -4.48 118.68 120.15 3f29 s LEU 356 Ca 0.63 -0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 52.98 3f29 s LEU 356 Cb -0.33 -0.36 -0.05 0.00 0.03 0.00 0.00 46.19 45.48 3f29 s LEU 356 CO 0.29 -0.17 0.78 -2.16 0.23 0.00 0.00 176.35 175.32 3f29 s PRO 357 N -2.03 3.68 -0.21 1.29 0.04 -1.26 -1.42 135.00 135.08 3f29 s PRO 357 Ca -0.02 0.37 -0.04 0.00 0.04 0.00 0.00 61.00 61.36 3f29 s PRO 357 Cb -0.08 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 3f29 s PRO 357 CO 0.01 -0.11 -0.05 0.21 0.04 0.00 0.00 177.00 177.10 3f29 s LYS 358 N -4.22 3.39 -0.06 4.56 2.47 -1.26 -4.87 119.74 119.76 3f29 s LYS 358 Ca 0.50 -0.62 -0.07 0.00 -1.56 0.00 0.00 55.97 54.22 3f29 s LYS 358 Cb -0.10 -2.99 -0.04 0.00 -1.46 0.00 0.00 37.83 33.24 3f29 s LYS 358 CO 0.37 -0.15 0.21 -0.51 0.16 0.00 0.00 175.35 175.43 3f29 s LEU 359 N 1.36 4.39 -0.04 5.43 2.01 -1.26 -4.90 118.68 125.68 3f29 s LEU 359 Ca 0.04 0.53 0.01 0.00 0.01 0.00 0.00 54.13 54.73 3f29 s LEU 359 Cb -0.14 -2.36 0.02 0.00 0.01 0.00 0.00 46.19 43.71 3f29 s LEU 359 CO -0.02 0.34 -0.05 -1.10 1.01 0.00 0.00 176.35 176.52 3f29 s GLN 360 N -1.36 0.84 0.00 1.70 1.11 -1.26 -4.82 119.66 115.87 3f29 s GLN 360 Ca 0.21 -0.15 0.00 0.00 0.01 0.00 0.00 55.36 55.43 3f29 s GLN 360 Cb -0.13 -0.82 0.00 0.00 -1.01 0.00 0.00 33.01 31.05 3f29 s GLN 360 CO 0.10 -0.03 0.00 -2.39 0.01 0.00 0.00 175.29 172.99 3f29 n HIS 361 N 3.81 0.00 -1.51 0.91 1.44 -1.17 -2.86 115.22 115.82 3f29 n HIS 361 Ca -0.23 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.19 3f29 n HIS 361 Cb 0.52 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.57 3f29 n HIS 361 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3f29 n PRO 362 N -0.40 2.96 -0.24 -1.40 -0.04 -1.26 -1.71 135.00 132.91 3f29 n PRO 362 Ca 0.00 -2.37 -0.06 0.00 -0.04 0.00 0.00 63.50 61.03 3f29 n PRO 362 Cb 0.00 -2.28 0.05 0.00 -0.04 0.00 0.00 33.50 31.22 3f29 n PRO 362 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3f29 h GLU 363 N 3.53 0.93 -0.32 0.54 3.07 -1.81 -1.80 114.58 118.72 3f29 h GLU 363 Ca 0.47 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 59.22 3f29 h GLU 363 Cb 0.73 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 3f29 h GLU 363 CO 0.97 0.69 0.17 0.00 -1.40 0.00 0.00 179.01 179.44 3f29 h ALA 364 N 1.19 0.41 0.00 3.43 0.00 -1.53 -1.09 119.26 121.66 3f29 h ALA 364 Ca 0.24 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3f29 h ALA 364 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3f29 h ALA 364 CO -0.04 -0.05 -0.44 0.93 0.00 0.00 0.00 179.25 179.64 3f29 h GLU 365 N 0.39 0.00 -0.08 0.00 3.07 -1.79 -2.99 114.58 113.18 3f29 h GLU 365 Ca 0.11 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.76 3f29 h GLU 365 Cb 0.07 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.99 3f29 h GLU 365 CO -0.02 0.44 -0.79 1.15 -1.40 0.00 0.00 179.01 178.39 3f29 h THR 366 N 0.00 1.31 -0.13 1.13 2.02 -1.08 -3.28 112.91 112.88 3f29 h THR 366 Ca -0.00 -2.04 -0.02 0.00 0.77 0.00 0.00 66.41 65.11 3f29 h THR 366 Cb 0.92 2.21 -0.01 0.00 -1.74 0.00 0.00 68.15 69.54 3f29 h THR 366 CO 0.06 0.63 -0.03 0.15 0.37 0.00 0.00 175.52 176.70 3f29 h PHE 367 N 0.35 0.19 -2.13 3.16 3.57 -1.10 -3.41 116.94 117.57 3f29 h PHE 367 Ca -0.08 -0.01 -0.61 0.00 3.53 0.00 0.00 57.97 60.81 3f29 h PHE 367 Cb 1.44 -0.06 0.06 0.00 2.79 0.00 0.00 35.95 40.18 3f29 h PHE 367 CO 0.10 0.23 0.71 0.91 -2.23 0.00 0.00 178.31 178.04 3f29 n TRP 368 N -4.39 2.09 -0.38 0.41 8.01 -1.14 -1.82 117.44 120.22 3f29 n TRP 368 Ca -0.01 0.36 0.00 0.00 -1.31 0.00 0.00 57.50 56.54 3f29 n TRP 368 Cb 0.18 -2.49 0.00 0.00 -2.01 0.00 0.00 31.31 26.99 3f29 n TRP 368 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3f29 n GLY 369 N 3.19 1.86 3.73 6.99 0.00 -1.26 -5.02 105.19 114.69 3f29 n GLY 369 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3f29 n GLY 369 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f29 s SER 370 N -3.41 3.87 0.23 1.61 1.04 -0.76 -4.78 113.70 111.51 3f29 s SER 370 Ca 0.00 1.91 -0.06 0.00 0.48 0.00 0.00 55.95 58.28 3f29 s SER 370 Cb 0.00 -2.51 0.32 0.00 0.10 0.00 0.00 66.02 63.94 3f29 s SER 370 CO 0.00 -2.45 1.82 0.58 0.98 0.00 0.00 173.24 174.17 3f29 h VAL 371 N -1.42 0.97 -0.21 5.02 2.07 -1.88 -0.44 116.25 120.37 3f29 h VAL 371 Ca -0.44 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 3f29 h VAL 371 Cb 1.25 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3f29 h VAL 371 CO 0.48 0.15 -0.05 0.45 0.02 0.00 0.00 177.57 178.62 3f29 h HIS 372 N 0.82 0.46 -0.84 1.57 3.86 -1.91 -2.09 115.15 117.01 3f29 h HIS 372 Ca 0.36 -0.10 0.02 0.00 -1.16 0.00 0.00 60.37 59.48 3f29 h HIS 372 Cb 0.24 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.55 3f29 h HIS 372 CO -0.06 0.65 0.55 1.49 0.86 0.00 0.00 177.93 181.43 3f29 h GLU 373 N 0.14 1.08 0.00 2.45 4.22 -1.66 -1.44 114.58 119.37 3f29 h GLU 373 Ca 0.05 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.40 3f29 h GLU 373 Cb 0.50 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3f29 h GLU 373 CO 0.02 0.71 -0.16 0.00 -2.18 0.00 0.00 179.01 177.41 3f29 h ARG 374 N 1.11 0.00 -0.36 1.92 2.47 -0.98 -1.53 114.38 117.02 3f29 h ARG 374 Ca 0.32 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 3f29 h ARG 374 Cb -0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 3f29 h ARG 374 CO -0.08 0.16 0.00 0.09 0.56 0.00 0.00 179.97 180.70 3f29 n ASN 375 N -3.56 2.09 0.00 7.04 3.02 -0.68 -4.92 115.26 118.25 3f29 n ASN 375 Ca -0.01 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 3f29 n ASN 375 Cb 0.30 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 3f29 n ASN 375 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f29 n GLY 376 N 1.14 0.52 3.83 7.41 0.00 -0.57 -5.04 105.19 112.47 3f29 n GLY 376 Ca 0.14 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 3f29 n GLY 376 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f29 s VAL 377 N -2.00 4.47 0.18 1.61 1.01 -0.63 -5.02 120.40 120.01 3f29 s VAL 377 Ca 0.00 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.35 3f29 s VAL 377 Cb 0.00 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 3f29 s VAL 377 CO 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 175.10 174.84 3f29 s ALA 378 N -2.09 1.40 0.29 5.51 0.00 -1.26 -4.31 121.76 121.29 3f29 s ALA 378 Ca 0.59 -1.60 0.03 0.00 0.00 0.00 0.00 51.96 50.98 3f29 s ALA 378 Cb -0.10 0.50 0.72 0.00 0.00 0.00 0.00 23.12 24.23 3f29 s ALA 378 CO 0.15 -0.29 1.66 0.00 0.00 0.00 0.00 175.76 177.27 3f29 h ALA 380 N 1.76 1.55 -0.49 0.00 0.00 -1.88 0.07 119.26 120.26 3f29 h ALA 380 Ca 0.55 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3f29 h ALA 380 Cb 1.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3f29 h ALA 380 CO -0.62 0.30 0.29 -0.44 0.00 0.00 0.00 179.25 178.78 3f29 h ASP 381 N 0.00 0.58 0.00 0.00 3.32 -1.41 -0.03 116.42 118.88 3f29 h ASP 381 Ca -0.00 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 3f29 h ASP 381 Cb 0.44 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3f29 h ASP 381 CO 0.03 0.45 -2.06 0.00 -1.72 0.00 0.00 179.24 175.94 3f29 n HIS 383 N -2.36 0.00 -2.87 0.00 8.25 -0.03 -3.73 115.22 114.47 3f29 n HIS 383 Ca -0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.22 3f29 n HIS 383 Cb 0.71 -0.07 0.03 0.00 1.12 0.00 0.00 29.99 31.77 3f29 n HIS 383 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3f29 n MET 384 N -1.43 0.82 -1.68 -0.41 -0.00 -0.07 -2.64 117.12 111.71 3f29 n MET 384 Ca -0.00 -2.20 -0.29 0.00 -0.00 0.00 0.00 57.70 55.21 3f29 n MET 384 Cb 0.12 -1.36 0.10 0.00 -0.00 0.00 0.00 33.22 32.08 3f29 n MET 384 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3f29 s PRO 385 N 0.01 1.78 0.51 3.17 0.04 -0.92 -4.43 135.00 135.16 3f29 s PRO 385 Ca 0.32 0.34 -0.23 0.00 0.04 0.00 0.00 61.00 61.46 3f29 s PRO 385 Cb 0.23 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.80 3f29 s PRO 385 CO -0.17 -1.77 1.37 0.15 0.04 0.00 0.00 177.00 176.62 3f29 s LYS 386 N -5.34 3.38 0.24 4.56 1.02 -1.26 -1.44 119.74 120.89 3f29 s LYS 386 Ca 0.62 2.27 -0.30 0.00 0.02 0.00 0.00 55.97 58.58 3f29 s LYS 386 Cb -0.13 -2.41 -0.09 0.00 -0.52 0.00 0.00 37.83 34.68 3f29 s LYS 386 CO 0.52 -1.01 0.96 0.08 -0.92 0.00 0.00 175.35 174.98 3f29 s VAL 387 N -1.28 4.01 -0.23 3.17 1.01 -0.07 -4.79 120.40 122.22 3f29 s VAL 387 Ca 0.67 2.01 -0.10 0.00 0.00 0.00 0.00 61.98 64.56 3f29 s VAL 387 Cb -0.41 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.65 3f29 s VAL 387 CO 0.50 0.47 0.14 0.00 0.00 0.00 0.00 175.10 176.21 3f29 s GLN 388 N -1.15 4.02 -0.03 2.72 0.00 -1.26 -4.57 119.66 119.39 3f29 s GLN 388 Ca 0.42 -0.30 0.05 0.00 -0.00 0.00 0.00 55.36 55.52 3f29 s GLN 388 Cb -0.27 -3.47 -0.01 0.00 0.00 0.00 0.00 33.01 29.27 3f29 s GLN 388 CO 0.33 0.08 -0.16 -0.51 0.00 0.00 0.00 175.29 175.03 3f29 s LEU 389 N 0.99 1.96 0.26 2.60 1.43 -1.26 -5.02 118.68 119.65 3f29 s LEU 389 Ca 0.07 -0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 52.81 3f29 s LEU 389 Cb -0.13 -0.87 0.33 0.00 0.03 0.00 0.00 46.19 45.54 3f29 s LEU 389 CO 0.04 0.17 1.93 -0.33 0.23 0.00 0.00 176.35 178.39 3f29 h GLU 390 N 6.00 1.25 -2.62 1.70 5.08 -2.03 -3.40 114.58 120.56 3f29 h GLU 390 Ca -0.34 -0.07 -0.26 0.00 -1.00 0.00 0.00 59.36 57.68 3f29 h GLU 390 Cb 1.16 -0.28 -0.34 0.00 0.50 0.00 0.00 28.75 29.79 3f29 h GLU 390 CO 0.48 0.82 -0.58 -0.80 -1.00 0.00 0.00 179.01 177.94 3f29 s ASN 391 N -6.13 0.83 0.00 1.42 0.01 -1.26 -5.15 114.94 104.66 3f29 s ASN 391 Ca -0.13 0.16 0.00 0.00 -0.71 0.00 0.00 52.86 52.19 3f29 s ASN 391 Cb 0.18 0.57 0.00 0.00 0.41 0.00 0.00 41.25 42.42 3f29 s ASN 391 CO 0.81 -0.29 0.00 0.61 -1.51 0.00 0.00 177.10 176.73 3f29 n GLY 392 N 5.34 1.09 3.65 0.66 0.00 -1.26 -5.10 105.19 109.57 3f29 n GLY 392 Ca -0.05 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 3f29 n GLY 392 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f29 s LYS 393 N -2.00 4.23 0.37 1.61 2.20 -1.26 -4.94 119.74 119.96 3f29 s LYS 393 Ca 0.00 1.00 -0.27 0.00 -0.36 0.00 0.00 55.97 56.34 3f29 s LYS 393 Cb 0.00 -3.62 -0.09 0.00 -1.51 0.00 0.00 37.83 32.61 3f29 s LYS 393 CO 0.00 -0.46 1.27 0.08 -0.36 0.00 0.00 175.35 175.89 3f29 s VAL 394 N 2.61 2.77 0.19 4.02 1.01 -1.26 -5.04 120.40 124.71 3f29 s VAL 394 Ca 0.37 0.72 -0.03 0.00 0.00 0.00 0.00 61.98 63.04 3f29 s VAL 394 Cb -0.16 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3f29 s VAL 394 CO 0.09 0.13 0.16 -0.72 0.00 0.00 0.00 175.10 174.75 3f29 s TYR 395 N -1.24 0.99 -0.17 5.22 1.13 -1.26 -5.02 117.35 116.99 3f29 s TYR 395 Ca 0.53 -1.26 -0.19 0.00 -1.41 0.00 0.00 57.07 54.74 3f29 s TYR 395 Cb -0.37 -0.45 -0.03 0.00 -1.10 0.00 0.00 41.96 40.01 3f29 s TYR 395 CO 0.48 -0.65 0.54 0.99 -2.51 0.00 0.00 175.55 174.40 3f29 s THR 396 N -4.11 5.11 0.26 -3.49 2.01 -1.26 -0.89 115.64 113.25 3f29 s THR 396 Ca 0.33 1.03 -0.31 0.00 0.31 0.00 0.00 61.69 63.05 3f29 s THR 396 Cb 0.06 -3.87 -0.12 0.00 0.01 0.00 0.00 72.50 68.58 3f29 s THR 396 CO 0.09 0.20 1.57 -0.24 -0.69 0.00 0.00 174.62 175.55 3f29 n SER 397 N 4.51 3.55 -1.02 3.53 2.88 -0.52 -4.81 113.62 121.74 3f29 n SER 397 Ca -0.04 1.13 0.08 0.00 -1.33 0.00 0.00 58.87 58.70 3f29 n SER 397 Cb 0.51 -1.54 0.27 0.00 -0.75 0.00 0.00 64.21 62.70 3f29 n SER 397 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3f29 n HIS 398 N 2.47 1.03 -3.03 0.66 8.25 -1.26 -4.47 115.22 118.88 3f29 n HIS 398 Ca 0.11 -0.77 -0.44 0.00 -0.26 0.00 0.00 57.72 56.36 3f29 n HIS 398 Cb 0.34 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 3f29 n HIS 398 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3f29 s SER 399 N -1.55 6.43 -0.41 0.41 0.15 -1.22 -3.68 113.70 113.84 3f29 s SER 399 Ca 0.41 -1.77 -0.29 0.00 0.70 0.00 0.00 55.95 55.00 3f29 s SER 399 Cb 0.31 -2.35 0.02 0.00 -1.71 0.00 0.00 66.02 62.29 3f29 s SER 399 CO 0.12 -1.08 1.28 -1.10 1.20 0.00 0.00 173.24 173.67 3f29 s GLN 400 N 2.57 3.70 0.32 5.44 1.11 -1.26 -4.63 119.66 126.92 3f29 s GLN 400 Ca 0.22 0.87 -0.15 0.00 0.01 0.00 0.00 55.36 56.31 3f29 s GLN 400 Cb -0.13 -3.95 0.03 0.00 -1.01 0.00 0.00 33.01 27.95 3f29 s GLN 400 CO -0.01 -1.40 0.67 -0.98 0.01 0.00 0.00 175.29 173.58 3f29 s ARG 401 N 4.59 1.94 0.43 2.91 1.70 -1.08 -4.79 118.95 124.64 3f29 s ARG 401 Ca 0.55 -1.32 -0.25 0.00 -0.47 0.00 0.00 55.73 54.24 3f29 s ARG 401 Cb -0.12 0.57 -0.09 0.00 -0.57 0.00 0.00 34.95 34.74 3f29 s ARG 401 CO 0.30 -0.88 1.34 -2.37 -1.08 0.00 0.00 175.30 172.61 3f29 n THR 402 N -0.49 2.63 0.28 4.99 5.66 -1.26 -4.50 114.28 121.59 3f29 n THR 402 Ca -0.05 -0.50 0.18 0.00 -3.05 0.00 0.00 64.05 60.63 3f29 n THR 402 Cb 0.60 -1.68 0.89 0.00 -1.55 0.00 0.00 70.33 68.59 3f29 n THR 402 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 3f29 h PRO 403 N 2.19 0.00 -0.54 1.09 0.13 -1.93 -2.90 132.00 130.03 3f29 h PRO 403 Ca -0.49 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.80 3f29 h PRO 403 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 3f29 h PRO 403 CO 0.60 0.00 0.43 0.00 -0.23 0.00 0.00 178.00 178.80 3f29 h ARG 404 N 0.00 0.00 -0.00 0.86 3.08 -1.91 -0.24 114.38 116.18 3f29 h ARG 404 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3f29 h ARG 404 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3f29 h ARG 404 CO 0.00 0.00 -0.07 -0.25 -1.07 0.00 0.00 179.97 178.58 3f29 n ASP 405 N -4.19 0.08 -2.76 7.04 9.92 -1.10 -4.26 116.55 121.29 3f29 n ASP 405 Ca 0.10 0.35 -0.09 0.00 -0.53 0.00 0.00 54.79 54.62 3f29 n ASP 405 Cb 0.65 -0.38 0.07 0.00 -0.64 0.00 0.00 41.12 40.83 3f29 n ASP 405 CO 0.00 0.00 0.00 1.15 0.13 0.00 0.00 177.20 178.48 3f29 n MET 406 N -1.48 1.12 -0.01 -1.24 0.00 -0.17 -5.00 117.12 110.33 3f29 n MET 406 Ca 0.07 -2.36 0.03 0.00 0.00 0.00 0.00 57.70 55.44 3f29 n MET 406 Cb 0.33 -0.74 0.38 0.00 0.00 0.00 0.00 33.22 33.19 3f29 n MET 406 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 3f29 h MET 407 N 2.58 0.55 -0.36 3.17 2.86 -1.55 0.20 114.93 122.39 3f29 h MET 407 Ca -0.15 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.47 3f29 h MET 407 Cb 1.19 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 3f29 h MET 407 CO 0.17 0.42 0.16 0.78 1.06 0.00 0.00 176.91 179.51 3f29 h GLY 408 N 0.65 0.48 1.47 8.32 0.00 -1.94 0.02 103.07 112.06 3f29 h GLY 408 Ca 0.15 -0.11 -0.25 0.00 0.00 0.00 0.00 47.33 47.11 3f29 h GLY 408 CO -0.02 0.08 -1.37 1.46 0.00 0.00 0.00 176.54 176.69 3f29 h GLN 409 N 0.34 0.02 -0.62 4.80 1.08 -1.81 -1.88 115.11 117.03 3f29 h GLN 409 Ca 0.15 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3f29 h GLN 409 Cb 0.08 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3f29 h GLN 409 CO -0.12 0.77 0.00 0.00 -0.95 0.00 0.00 178.83 178.53 3f29 n ALA 410 N -2.47 2.40 0.20 3.87 0.00 0.01 -4.71 120.51 119.81 3f29 n ALA 410 Ca -0.09 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.17 3f29 n ALA 410 Cb 1.00 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3f29 n ALA 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f29 h LEU 412 N 0.00 0.00 -1.18 0.00 3.38 -1.02 0.06 115.31 116.54 3f29 h LEU 412 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3f29 h LEU 412 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3f29 h LEU 412 CO 0.00 0.21 0.35 0.78 0.09 0.00 0.00 178.44 179.87 3f29 h ASN 413 N 0.00 0.82 0.35 -0.43 -0.26 -1.58 -2.77 115.58 111.71 3f29 h ASN 413 Ca -0.00 -0.07 -0.32 0.00 -0.56 0.00 0.00 56.30 55.35 3f29 h ASN 413 Cb 0.88 -0.21 0.02 0.00 -1.06 0.00 0.00 38.32 37.95 3f29 h ASN 413 CO 0.03 0.67 -1.49 0.00 -1.06 0.00 0.00 177.43 175.57 3f29 n HIS 415 N -3.62 2.65 0.30 0.00 8.25 -0.02 -4.85 115.22 117.93 3f29 n HIS 415 Ca -0.17 -2.96 0.18 0.00 -0.26 0.00 0.00 57.72 54.52 3f29 n HIS 415 Cb 1.08 -1.13 0.95 0.00 1.12 0.00 0.00 29.99 32.01 3f29 n HIS 415 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3f29 h ALA 416 N 5.23 1.18 0.00 -1.41 0.00 -1.77 -2.46 119.26 120.03 3f29 h ALA 416 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3f29 h ALA 416 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3f29 h ALA 416 CO 1.22 0.04 0.00 -0.85 0.00 0.00 0.00 179.25 179.66 3f29 n GLU 417 N -3.39 0.04 -4.39 0.00 0.00 -1.26 -4.85 120.64 106.80 3f29 n GLU 417 Ca -0.02 0.08 -0.30 0.00 0.00 0.00 0.00 57.16 56.91 3f29 n GLU 417 Cb 0.15 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 29.99 3f29 n GLU 417 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3f29 s TRP 418 N -2.95 2.72 0.71 -1.84 0.51 -0.93 -5.12 118.94 112.03 3f29 s TRP 418 Ca 0.13 -0.16 -0.08 0.00 -2.12 0.00 0.00 56.10 53.87 3f29 s TRP 418 Cb 0.16 -1.47 0.05 0.00 -0.81 0.00 0.00 33.47 31.40 3f29 s TRP 418 CO 0.43 0.37 1.04 0.95 -0.51 0.00 0.00 176.95 179.24 3f29 s THR 419 N -1.09 2.61 0.19 2.01 -4.23 -1.26 -4.93 115.64 108.94 3f29 s THR 419 Ca 0.19 -0.06 -0.12 0.00 -1.18 0.00 0.00 61.69 60.51 3f29 s THR 419 Cb -0.11 -3.14 0.11 0.00 1.34 0.00 0.00 72.50 70.70 3f29 s THR 419 CO 0.10 -0.17 1.73 -0.08 -0.54 0.00 0.00 174.62 175.67 3f29 h GLU 420 N -0.64 0.31 -0.90 3.99 4.81 -1.97 -1.91 114.58 118.27 3f29 h GLU 420 Ca -0.45 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.79 3f29 h GLU 420 Cb 1.30 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.56 3f29 h GLU 420 CO 0.62 0.20 0.59 -0.44 -0.73 0.00 0.00 179.01 179.26 3f29 h ASP 421 N 0.32 0.99 -0.46 1.04 3.32 -1.99 -0.61 116.42 119.04 3f29 h ASP 421 Ca 0.26 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.16 3f29 h ASP 421 Cb 0.31 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3f29 h ASP 421 CO -0.29 0.70 -0.24 1.56 -1.72 0.00 0.00 179.24 179.25 3f29 h GLN 422 N 1.16 0.97 -0.44 3.56 4.20 -1.85 -1.19 115.11 121.52 3f29 h GLN 422 Ca 0.34 -0.43 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 3f29 h GLN 422 Cb -0.05 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3f29 h GLN 422 CO -0.09 1.10 0.12 0.00 -0.67 0.00 0.00 178.83 179.29 3f29 h ALA 423 N 0.85 0.58 -0.85 3.87 0.00 -0.87 -1.50 119.26 121.34 3f29 h ALA 423 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3f29 h ALA 423 Cb 0.82 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3f29 h ALA 423 CO 0.07 0.26 0.54 -0.07 0.00 0.00 0.00 179.25 180.05 3f29 h LEU 424 N 0.58 0.99 -0.77 0.00 3.38 -1.07 -1.99 115.31 116.43 3f29 h LEU 424 Ca 0.14 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3f29 h LEU 424 Cb 0.31 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3f29 h LEU 424 CO 0.00 0.74 0.47 0.22 0.09 0.00 0.00 178.44 179.96 3f29 h TYR 425 N 1.15 1.01 -0.53 1.13 3.20 -0.92 -0.59 116.97 121.43 3f29 h TYR 425 Ca 0.31 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 3f29 h TYR 425 Cb -0.10 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 37.82 3f29 h TYR 425 CO -0.01 0.68 0.24 0.00 -1.64 0.00 0.00 178.16 177.43 3f29 h ALA 426 N 1.25 0.68 -0.06 1.82 0.00 -1.02 1.00 119.26 122.92 3f29 h ALA 426 Ca 0.28 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3f29 h ALA 426 Cb -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3f29 h ALA 426 CO -0.05 0.25 0.02 0.82 0.00 0.00 0.00 179.25 180.29 3f29 h ILE 427 N 0.70 0.98 -0.32 0.00 2.04 -1.03 -2.98 117.51 116.91 3f29 h ILE 427 Ca 0.18 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.94 3f29 h ILE 427 Cb 0.14 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3f29 h ILE 427 CO -0.02 0.01 -0.12 0.44 0.00 0.00 0.00 178.15 178.45 3f29 h ASP 428 N 0.05 0.54 -0.21 1.72 3.32 -0.87 -1.15 116.42 119.82 3f29 h ASP 428 Ca 0.03 -0.15 0.06 0.00 0.02 0.00 0.00 57.03 56.99 3f29 h ASP 428 Cb 0.01 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.36 3f29 h ASP 428 CO -0.03 0.70 -0.19 0.22 -1.72 0.00 0.00 179.24 178.22 3f29 h TYR 429 N 0.51 -0.50 -0.18 4.55 5.03 -0.73 0.22 116.97 125.86 3f29 h TYR 429 Ca 0.09 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 3f29 h TYR 429 Cb 0.52 0.26 -0.01 0.00 1.55 0.00 0.00 36.73 39.05 3f29 h TYR 429 CO 0.02 -0.27 0.05 0.82 -1.32 0.00 0.00 178.16 177.46 3f29 h ILE 430 N -0.21 1.20 -0.63 1.81 2.04 -1.30 -1.91 117.51 118.51 3f29 h ILE 430 Ca 0.13 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 3f29 h ILE 430 Cb 0.40 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 3f29 h ILE 430 CO -0.33 0.20 0.25 0.11 0.00 0.00 0.00 178.15 178.37 3f29 h LYS 431 N 0.11 0.95 -0.29 2.37 1.57 -1.05 -0.24 116.57 119.99 3f29 h LYS 431 Ca 0.06 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3f29 h LYS 431 Cb 0.26 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3f29 h LYS 431 CO 0.00 0.80 0.09 -0.91 -0.57 0.00 0.00 179.45 178.86 3f29 h ASN 432 N 0.89 0.42 -0.21 0.86 2.35 -0.55 -0.50 115.58 118.84 3f29 h ASN 432 Ca 0.21 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3f29 h ASN 432 Cb 0.21 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3f29 h ASN 432 CO -0.02 0.51 0.12 0.22 -1.65 0.00 0.00 177.43 176.61 3f29 h TYR 433 N 0.30 0.29 -0.34 1.19 3.20 -1.20 -2.07 116.97 118.33 3f29 h TYR 433 Ca 0.09 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3f29 h TYR 433 Cb 0.24 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3f29 h TYR 433 CO 0.00 0.25 0.16 1.15 -1.64 0.00 0.00 178.16 178.09 3f29 h THR 434 N 0.24 1.17 -0.85 1.81 2.02 -0.94 -2.58 112.91 113.78 3f29 h THR 434 Ca 0.07 -0.50 0.04 0.00 0.77 0.00 0.00 66.41 66.79 3f29 h THR 434 Cb 0.06 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 3f29 h THR 434 CO -0.01 0.18 0.54 -0.74 0.37 0.00 0.00 175.52 175.86 3f29 h HIS 435 N 0.42 1.02 -1.00 3.16 -0.00 -1.03 0.00 115.15 117.72 3f29 h HIS 435 Ca 0.12 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.58 3f29 h HIS 435 Cb 0.14 -0.34 -0.07 0.00 -0.00 0.00 0.00 27.41 27.15 3f29 h HIS 435 CO -0.01 0.58 0.64 0.78 -0.00 0.00 0.00 177.93 179.92 3f29 h GLY 436 N 1.05 1.52 1.92 5.26 0.00 -1.13 0.31 103.07 112.01 3f29 h GLY 436 Ca 0.34 -0.47 -0.16 0.00 0.00 0.00 0.00 47.33 47.04 3f29 h GLY 436 CO -0.12 0.33 -0.74 0.50 0.00 0.00 0.00 176.54 176.51 3f29 h LYS 437 N 1.17 0.07 -0.13 4.80 1.79 -0.92 -1.18 116.57 122.18 3f29 h LYS 437 Ca 0.43 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.83 3f29 h LYS 437 Cb 0.17 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 3f29 h LYS 437 CO -0.17 0.78 0.06 0.82 -1.08 0.00 0.00 179.45 179.86 3f29 h ILE 438 N 0.05 1.12 -0.34 1.86 2.04 -0.50 0.06 117.51 121.79 3f29 h ILE 438 Ca -0.01 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 3f29 h ILE 438 Cb 1.30 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 3f29 h ILE 438 CO 0.10 0.11 0.21 0.58 0.00 0.00 0.00 178.15 179.15 3f29 h VAL 439 N 0.08 1.11 -0.81 1.67 2.07 -0.81 -0.70 116.25 118.86 3f29 h VAL 439 Ca 0.04 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3f29 h VAL 439 Cb 0.12 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3f29 h VAL 439 CO -0.01 0.11 0.44 0.11 0.02 0.00 0.00 177.57 178.24 3f29 h LYS 440 N 0.45 1.13 -0.83 1.57 1.57 -1.18 -0.46 116.57 118.82 3f29 h LYS 440 Ca 0.12 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3f29 h LYS 440 Cb -0.00 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.04 3f29 h LYS 440 CO -0.02 0.84 0.53 0.77 -0.57 0.00 0.00 179.45 180.99 3f29 h SER 441 N 1.13 0.87 -0.59 0.86 0.02 -0.63 -2.09 113.55 113.12 3f29 h SER 441 Ca 0.28 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.13 3f29 h SER 441 Cb 0.04 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3f29 h SER 441 CO -0.04 0.60 -0.02 -0.33 -1.14 0.00 0.00 176.83 175.90 3f29 h GLU 442 N 1.02 1.06 -0.29 3.45 5.08 -0.68 -0.75 114.58 123.48 3f29 h GLU 442 Ca 0.33 -0.34 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3f29 h GLU 442 Cb 0.02 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 3f29 h GLU 442 CO -0.12 1.04 0.05 -0.92 -1.00 0.00 0.00 179.01 178.06 3f29 h TYR 443 N 0.97 0.07 -0.32 4.33 3.20 -0.76 0.28 116.97 124.74 3f29 h TYR 443 Ca 0.17 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.90 3f29 h TYR 443 Cb 0.58 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 3f29 h TYR 443 CO 0.04 0.01 -0.41 -1.49 -1.64 0.00 0.00 178.16 174.67 3f29 h TRP 444 N 0.15 1.03 -0.44 -3.82 4.06 -1.26 -1.01 115.95 114.65 3f29 h TRP 444 Ca 0.14 -0.33 0.04 0.00 2.06 0.00 0.00 58.89 60.80 3f29 h TRP 444 Cb 0.15 -0.21 -0.04 0.00 -1.00 0.00 0.00 29.16 28.06 3f29 h TRP 444 CO -0.18 1.14 0.20 -0.07 -3.56 0.00 0.00 178.44 175.97 3f29 h LEU 445 N 0.62 0.27 -0.78 -4.49 3.38 -1.02 -1.52 115.31 111.77 3f29 h LEU 445 Ca 0.04 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3f29 h LEU 445 Cb 1.01 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 3f29 h LEU 445 CO 0.10 0.19 0.12 0.00 0.09 0.00 0.00 178.44 178.95 3f29 h ALA 446 N 1.25 1.00 -0.44 1.53 0.00 -0.80 0.14 119.26 121.95 3f29 h ALA 446 Ca 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3f29 h ALA 446 Cb 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3f29 h ALA 446 CO -0.16 0.64 0.25 -0.22 0.00 0.00 0.00 179.25 179.76 3f29 h LYS 447 N 0.98 0.61 0.03 0.00 3.64 -0.96 -0.62 116.57 120.25 3f29 h LYS 447 Ca 0.20 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3f29 h LYS 447 Cb 0.40 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3f29 h LYS 447 CO 0.01 0.48 -0.01 1.98 -2.27 0.00 0.00 179.45 179.63 3f29 h MET 448 N 0.57 -0.04 -0.67 1.90 4.05 -1.08 -2.98 114.93 116.68 3f29 h MET 448 Ca 0.15 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.67 3f29 h MET 448 Cb 0.04 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 30.78 3f29 h MET 448 CO -0.03 0.12 0.32 0.82 0.23 0.00 0.00 176.91 178.37 3f29 h ILE 449 N -0.19 0.84 0.00 1.77 2.04 -0.82 -1.46 117.51 119.69 3f29 h ILE 449 Ca -0.00 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3f29 h ILE 449 Cb 0.18 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3f29 h ILE 449 CO 0.01 0.10 -0.08 0.44 0.00 0.00 0.00 178.15 178.62 3f29 h ASP 450 N 0.55 0.00 1.54 1.72 3.32 -1.08 -2.44 116.42 120.03 3f29 h ASP 450 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3f29 h ASP 450 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3f29 h ASP 450 CO -0.27 0.08 0.00 -0.07 -1.72 0.00 0.00 179.24 177.26 3f29 h LEU 451 N 0.00 0.00 -0.03 1.55 3.38 -1.11 -3.37 115.31 115.73 3f29 h LEU 451 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3f29 h LEU 451 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3f29 h LEU 451 CO 0.01 0.00 0.01 -0.26 0.09 0.00 0.00 178.44 178.29 3f29 h PHE 452 N 0.00 0.05 -0.95 1.13 -1.00 -1.40 0.83 116.94 115.60 3f29 h PHE 452 Ca 0.00 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3f29 h PHE 452 Cb 0.77 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 40.27 3f29 h PHE 452 CO 0.00 0.25 0.61 -1.35 -1.61 0.00 0.00 178.31 176.20 3f29 h PRO 453 N -0.16 1.27 -0.21 1.51 0.11 -1.75 0.05 132.00 132.81 3f29 h PRO 453 Ca 0.01 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 3f29 h PRO 453 Cb 0.22 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 3f29 h PRO 453 CO -0.00 0.86 0.12 0.28 -0.21 0.00 0.00 178.00 179.05 3f29 h VAL 454 N 1.30 1.10 -0.09 3.15 2.07 -1.69 -0.51 116.25 121.57 3f29 h VAL 454 Ca 0.35 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 3f29 h VAL 454 Cb -0.11 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3f29 h VAL 454 CO -0.07 0.10 0.05 0.00 0.02 0.00 0.00 177.57 177.67 3f29 h ALA 455 N 1.02 0.12 -0.55 1.67 0.00 -0.59 -0.45 119.26 120.48 3f29 h ALA 455 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3f29 h ALA 455 Cb 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3f29 h ALA 455 CO -0.01 -0.35 0.26 1.57 0.00 0.00 0.00 179.25 180.72 3f29 h LYS 456 N 0.07 0.79 0.00 0.00 2.10 -0.90 -1.21 116.57 117.41 3f29 h LYS 456 Ca 0.03 -0.12 -0.06 0.00 -2.00 0.00 0.00 60.65 58.51 3f29 h LYS 456 Cb 0.06 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.24 3f29 h LYS 456 CO -0.01 0.65 -0.27 0.00 -2.00 0.00 0.00 179.45 177.83 3f29 h ARG 457 N 0.74 0.00 -0.00 0.07 3.08 -0.98 -2.16 114.38 115.13 3f29 h ARG 457 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3f29 h ARG 457 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3f29 h ARG 457 CO -0.02 0.27 -0.06 0.00 -1.07 0.00 0.00 179.97 179.09 3f29 n ALA 458 N -2.28 2.61 -0.85 0.04 0.00 -0.19 -4.93 120.51 114.90 3f29 n ALA 458 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3f29 n ALA 458 Cb 0.42 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3f29 n ALA 458 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f29 n GLY 459 N 1.31 0.62 3.72 0.00 0.00 -0.81 -4.87 105.19 105.16 3f29 n GLY 459 Ca 0.13 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 3f29 n GLY 459 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3f29 n VAL 460 N -2.79 1.87 -2.02 1.61 0.31 -0.51 -4.93 118.33 111.87 3f29 n VAL 460 Ca 0.00 -0.47 -0.35 0.00 -0.01 0.00 0.00 64.34 63.51 3f29 n VAL 460 Cb 0.07 -1.71 0.03 0.00 -0.91 0.00 0.00 33.84 31.33 3f29 n VAL 460 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3f29 s SER 461 N -0.17 5.25 0.42 4.52 1.04 -1.26 -4.77 113.70 118.74 3f29 s SER 461 Ca 0.56 2.30 0.12 0.00 0.48 0.00 0.00 55.95 59.41 3f29 s SER 461 Cb -0.54 -2.59 0.98 0.00 0.10 0.00 0.00 66.02 63.96 3f29 s SER 461 CO 0.61 -1.54 1.99 -0.33 0.98 0.00 0.00 173.24 174.95 3f29 h GLU 462 N 0.82 0.45 -0.46 4.02 4.39 -1.99 -1.65 114.58 120.17 3f29 h GLU 462 Ca -0.50 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.19 3f29 h GLU 462 Cb 1.28 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 3f29 h GLU 462 CO 0.55 0.30 0.28 -0.44 -1.16 0.00 0.00 179.01 178.54 3f29 h ASP 463 N 0.46 0.46 -0.39 1.42 5.19 -1.99 0.22 116.42 121.79 3f29 h ASP 463 Ca 0.26 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.56 3f29 h ASP 463 Cb 0.41 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 3f29 h ASP 463 CO -0.07 0.33 -0.19 0.58 -3.12 0.00 0.00 179.24 176.77 3f29 h VAL 464 N 0.56 1.28 -0.80 -1.35 2.07 -1.79 -2.00 116.25 114.22 3f29 h VAL 464 Ca 0.18 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 3f29 h VAL 464 Cb -0.00 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3f29 h VAL 464 CO -0.08 0.44 0.43 -0.07 0.02 0.00 0.00 177.57 178.31 3f29 h LEU 465 N 0.62 1.00 -0.86 2.57 3.38 -1.02 -1.38 115.31 119.62 3f29 h LEU 465 Ca 0.09 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3f29 h LEU 465 Cb 0.74 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3f29 h LEU 465 CO 0.06 0.82 -0.17 0.78 0.09 0.00 0.00 178.44 180.01 3f29 h ASN 466 N 1.11 0.65 -0.40 -0.43 -0.26 -0.49 0.26 115.58 116.02 3f29 h ASN 466 Ca 0.28 -0.20 0.03 0.00 -0.56 0.00 0.00 56.30 55.84 3f29 h ASN 466 Cb 0.05 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.10 3f29 h ASN 466 CO -0.04 0.83 0.21 1.56 -1.06 0.00 0.00 177.43 178.92 3f29 h GLN 467 N 0.58 0.41 -0.57 0.81 4.20 -0.93 -1.14 115.11 118.47 3f29 h GLN 467 Ca 0.09 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 3f29 h GLN 467 Cb 0.63 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 3f29 h GLN 467 CO 0.04 0.27 0.12 0.00 -0.67 0.00 0.00 178.83 178.59 3f29 h ALA 468 N 1.20 1.14 -0.43 3.87 0.00 -0.89 -2.24 119.26 121.91 3f29 h ALA 468 Ca 0.17 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3f29 h ALA 468 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3f29 h ALA 468 CO -0.11 0.58 -0.01 0.00 0.00 0.00 0.00 179.25 179.71 3f29 h ARG 469 N 0.85 0.70 -0.50 0.00 3.08 -0.57 0.72 114.38 118.67 3f29 h ARG 469 Ca 0.18 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 3f29 h ARG 469 Cb 0.33 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3f29 h ARG 469 CO 0.00 0.72 -0.11 1.49 -1.07 0.00 0.00 179.97 181.00 3f29 h GLU 470 N 0.66 0.92 -0.47 0.04 4.81 -0.98 -2.34 114.58 117.22 3f29 h GLU 470 Ca 0.13 -0.33 -0.09 0.00 -0.13 0.00 0.00 59.36 58.95 3f29 h GLU 470 Cb 0.43 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3f29 h GLU 470 CO 0.02 0.98 -0.06 -0.07 -0.73 0.00 0.00 179.01 179.15 3f29 h LEU 471 N 0.82 0.80 -0.44 1.64 3.38 -0.87 -3.07 115.31 117.57 3f29 h LEU 471 Ca 0.13 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3f29 h LEU 471 Cb 0.64 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3f29 h LEU 471 CO 0.04 0.90 0.25 -0.74 0.09 0.00 0.00 178.44 178.98 3f29 h HIS 472 N 0.75 0.46 -0.41 1.13 2.76 -0.63 0.36 115.15 119.57 3f29 h HIS 472 Ca 0.13 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.40 3f29 h HIS 472 Cb 0.54 -0.14 -0.09 0.00 1.55 0.00 0.00 27.41 29.26 3f29 h HIS 472 CO 0.03 0.26 -0.28 -0.92 -1.30 0.00 0.00 177.93 175.72 3f29 h TYR 473 N 0.50 -0.74 -0.26 5.26 5.03 -1.33 0.21 116.97 125.65 3f29 h TYR 473 Ca 0.18 0.05 -0.08 0.00 2.58 0.00 0.00 58.73 61.46 3f29 h TYR 473 Cb 0.04 0.39 -0.01 0.00 1.55 0.00 0.00 36.73 38.70 3f29 h TYR 473 CO -0.08 -0.35 -0.17 -0.44 -1.32 0.00 0.00 178.16 175.80 3f29 h ASP 474 N -0.20 0.59 -0.91 -2.11 3.32 -1.45 -1.24 116.42 114.42 3f29 h ASP 474 Ca 0.19 -0.44 0.03 0.00 0.02 0.00 0.00 57.03 56.83 3f29 h ASP 474 Cb 0.50 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 3f29 h ASP 474 CO -0.53 0.90 0.60 0.00 -1.72 0.00 0.00 179.24 178.49 3f29 h ALA 475 N 0.71 1.19 0.13 3.45 0.00 -0.65 -1.92 119.26 122.17 3f29 h ALA 475 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3f29 h ALA 475 Cb 0.70 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3f29 h ALA 475 CO 0.05 0.48 -0.06 1.25 0.00 0.00 0.00 179.25 180.97 3f29 h HIS 476 N 1.17 -0.16 -0.27 0.00 -0.00 -0.46 -2.81 115.15 112.62 3f29 h HIS 476 Ca 0.36 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.78 3f29 h HIS 476 Cb -0.04 0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 27.37 3f29 h HIS 476 CO -0.01 0.12 -0.07 1.25 -0.00 0.00 0.00 177.93 179.21 3f29 h LEU 477 N -0.43 -0.27 -0.23 0.26 5.85 -1.02 0.28 115.31 119.75 3f29 h LEU 477 Ca -0.02 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3f29 h LEU 477 Cb 0.34 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3f29 h LEU 477 CO 0.03 -0.10 0.00 -1.22 -0.34 0.00 0.00 178.44 176.81 3f29 n TYR 478 N -5.24 0.50 -0.08 1.25 4.01 -0.74 -2.42 117.16 114.44 3f29 n TYR 478 Ca -0.01 0.17 -0.09 0.00 -0.16 0.00 0.00 57.90 57.82 3f29 n TYR 478 Cb 0.16 -0.78 -0.04 0.00 -0.31 0.00 0.00 39.34 38.37 3f29 n TYR 478 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 3f29 n TRP 479 N -1.94 0.80 0.24 -0.72 -0.00 -0.94 -3.71 117.44 111.18 3f29 n TRP 479 Ca 0.04 0.35 0.08 0.00 -0.00 0.00 0.00 57.50 57.97 3f29 n TRP 479 Cb 0.29 -0.81 0.60 0.00 -0.00 0.00 0.00 31.31 31.39 3f29 n TRP 479 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 3f29 h GLU 480 N -1.00 0.00 -0.99 5.87 4.81 -0.44 -0.69 114.58 122.13 3f29 h GLU 480 Ca -0.09 0.00 0.30 0.00 -0.13 0.00 0.00 59.36 59.44 3f29 h GLU 480 Cb 0.75 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.99 3f29 h GLU 480 CO -0.05 0.12 0.54 2.35 -0.73 0.00 0.00 179.01 181.25 3f29 h TRP 481 N 0.00 0.90 0.00 0.92 2.91 -1.69 -0.96 115.95 118.03 3f29 h TRP 481 Ca -0.00 0.04 -0.12 0.00 1.13 0.00 0.00 58.89 59.94 3f29 h TRP 481 Cb 0.24 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.63 3f29 h TRP 481 CO 0.00 -0.13 -1.19 -1.49 -1.03 0.00 0.00 178.44 174.60 3f29 h TRP 482 N 0.37 0.00 0.00 2.65 4.06 -1.41 -0.79 115.95 120.83 3f29 h TRP 482 Ca 0.70 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 61.46 3f29 h TRP 482 Cb 1.53 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.66 3f29 h TRP 482 CO -0.03 0.43 -0.92 1.79 -3.56 0.00 0.00 178.44 176.15 3f29 h THR 483 N 0.00 1.64 -0.20 1.49 1.35 -1.54 -3.30 112.91 112.36 3f29 h THR 483 Ca -0.11 -3.17 -0.13 0.00 -0.55 0.00 0.00 66.41 62.46 3f29 h THR 483 Cb 1.42 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 70.56 3f29 h THR 483 CO 0.04 0.90 -0.39 0.00 -0.25 0.00 0.00 175.52 175.82 3f29 h ALA 484 N 1.08 0.32 -2.75 6.62 0.00 -1.18 -3.45 119.26 119.90 3f29 h ALA 484 Ca -0.01 -0.45 -0.50 0.00 0.00 0.00 0.00 54.91 53.96 3f29 h ALA 484 Cb 1.64 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.39 3f29 h ALA 484 CO 0.12 0.41 0.44 -2.00 0.00 0.00 0.00 179.25 178.22 3f29 s GLU 485 N -4.06 4.60 0.00 0.00 -6.30 -0.31 -3.07 118.70 109.57 3f29 s GLU 485 Ca -0.12 1.70 0.24 0.00 -2.50 0.00 0.00 54.97 54.29 3f29 s GLU 485 Cb 0.07 -3.10 0.40 0.00 0.00 0.00 0.00 34.13 31.50 3f29 s GLU 485 CO 0.83 0.21 1.34 0.09 0.02 0.00 0.00 175.26 177.75 3f29 n ASN 486 N 1.04 0.88 -0.32 -1.70 3.02 -1.26 -4.02 115.26 112.90 3f29 n ASN 486 Ca -0.00 -0.68 0.13 0.00 -0.03 0.00 0.00 54.58 53.99 3f29 n ASN 486 Cb 0.46 0.37 0.36 0.00 -0.61 0.00 0.00 39.78 40.36 3f29 n ASN 486 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3f29 n SER 487 N -1.12 1.22 -3.86 6.41 3.41 -1.26 -4.94 113.62 113.48 3f29 n SER 487 Ca 0.07 -1.06 -0.25 0.00 -0.26 0.00 0.00 58.87 57.37 3f29 n SER 487 Cb 0.35 0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.45 3f29 n SER 487 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3f29 n VAL 488 N -0.42 -3.40 0.00 -3.33 0.31 -1.26 -1.90 118.33 108.33 3f29 n VAL 488 Ca 0.13 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 3f29 n VAL 488 Cb 0.36 -3.08 0.00 0.00 -0.91 0.00 0.00 33.84 30.21 3f29 n VAL 488 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f29 n GLY 489 N -1.74 3.30 0.37 2.92 0.00 -1.26 -4.00 105.19 104.77 3f29 n GLY 489 Ca -0.24 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.81 3f29 n GLY 489 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3f29 h PHE 490 N 0.00 1.09 0.00 1.61 3.57 -1.70 -1.56 116.94 119.95 3f29 h PHE 490 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3f29 h PHE 490 Cb 0.00 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.38 3f29 h PHE 490 CO 0.00 0.59 -0.08 0.45 -2.23 0.00 0.00 178.31 177.04 3f29 h HIS 491 N 1.09 0.00 -0.55 0.41 3.86 -1.92 -3.37 115.15 114.67 3f29 h HIS 491 Ca 0.39 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.46 3f29 h HIS 491 Cb 0.15 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.46 3f29 h HIS 491 CO -0.00 0.08 -0.41 -1.71 0.86 0.00 0.00 177.93 176.75 3f29 n ASN 492 N -3.63 -2.90 -0.26 2.45 2.85 -0.72 -4.52 115.26 108.53 3f29 n ASN 492 Ca -0.02 -2.68 -0.04 0.00 -0.11 0.00 0.00 54.58 51.72 3f29 n ASN 492 Cb 0.19 1.57 0.11 0.00 1.24 0.00 0.00 39.78 42.89 3f29 n ASN 492 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3f29 h PRO 493 N 4.49 1.13 -0.47 1.20 0.13 -1.49 -1.91 132.00 135.08 3f29 h PRO 493 Ca -0.03 -0.19 -0.07 0.00 -0.87 0.00 0.00 66.00 64.85 3f29 h PRO 493 Cb 1.10 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 3f29 h PRO 493 CO 0.07 0.90 0.01 -0.44 -0.23 0.00 0.00 178.00 178.31 3f29 h ASP 494 N 1.11 0.73 -0.34 1.44 3.32 -1.97 -1.96 116.42 118.75 3f29 h ASP 494 Ca 0.26 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 3f29 h ASP 494 Cb 0.18 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3f29 h ASP 494 CO -0.03 0.79 -0.18 -0.61 -1.72 0.00 0.00 179.24 177.49 3f29 h GLN 495 N 0.72 0.72 -0.49 3.56 4.15 -1.85 -1.59 115.11 120.33 3f29 h GLN 495 Ca 0.14 -0.32 0.03 0.00 0.77 0.00 0.00 58.65 59.27 3f29 h GLN 495 Cb 0.42 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.06 3f29 h GLN 495 CO 0.02 0.93 0.28 0.00 -1.93 0.00 0.00 178.83 178.12 3f29 h ALA 496 N 0.77 0.63 -0.33 3.38 0.00 -1.20 -0.10 119.26 122.41 3f29 h ALA 496 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3f29 h ALA 496 Cb 0.73 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3f29 h ALA 496 CO 0.05 -0.04 0.13 -0.09 0.00 0.00 0.00 179.25 179.30 3f29 h ARG 497 N 0.55 0.49 -0.49 0.00 2.43 -1.29 -0.09 114.38 115.97 3f29 h ARG 497 Ca 0.20 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3f29 h ARG 497 Cb 0.06 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3f29 h ARG 497 CO -0.11 0.49 0.14 1.49 -1.51 0.00 0.00 179.97 180.46 3f29 h GLU 498 N 0.38 0.78 -0.12 0.20 4.81 -1.06 -1.59 114.58 117.98 3f29 h GLU 498 Ca 0.11 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3f29 h GLU 498 Cb 0.18 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3f29 h GLU 498 CO -0.01 0.75 0.04 1.03 -0.73 0.00 0.00 179.01 180.09 3f29 h SER 499 N 0.67 0.17 -0.33 1.04 0.87 -0.83 -1.47 113.55 113.68 3f29 h SER 499 Ca 0.16 -0.19 -0.10 0.00 -1.23 0.00 0.00 61.79 60.43 3f29 h SER 499 Cb 0.31 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 3f29 h SER 499 CO -0.00 0.31 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.39 3f29 h LEU 500 N 0.02 0.78 -1.15 2.23 3.38 -0.99 0.23 115.31 119.81 3f29 h LEU 500 Ca 0.04 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3f29 h LEU 500 Cb 0.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3f29 h LEU 500 CO -0.00 0.94 0.09 0.24 0.09 0.00 0.00 178.44 179.80 3f29 h MET 501 N 0.70 0.69 -0.44 1.13 2.86 -1.22 -2.05 114.93 116.60 3f29 h MET 501 Ca 0.11 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 3f29 h MET 501 Cb 0.64 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 3f29 h MET 501 CO 0.05 0.64 0.12 1.15 1.06 0.00 0.00 176.91 179.92 3f29 h THR 502 N 0.67 1.23 -0.18 2.22 2.02 -0.54 -1.56 112.91 116.76 3f29 h THR 502 Ca 0.15 -0.77 0.04 0.00 0.77 0.00 0.00 66.41 66.60 3f29 h THR 502 Cb 0.28 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 3f29 h THR 502 CO 0.00 0.27 -0.08 -1.28 0.37 0.00 0.00 175.52 174.80 3f29 h SER 503 N 0.57 -0.28 -0.86 4.18 0.87 -0.64 -0.90 113.55 116.50 3f29 h SER 503 Ca 0.14 0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.79 3f29 h SER 503 Cb 0.29 0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.36 3f29 h SER 503 CO -0.00 -0.11 0.56 0.40 -0.53 0.00 0.00 176.83 177.15 3f29 h ILE 504 N -0.06 1.17 -0.42 2.23 2.04 -1.32 -0.97 117.51 120.17 3f29 h ILE 504 Ca 0.10 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.60 3f29 h ILE 504 Cb 0.21 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 3f29 h ILE 504 CO -0.22 0.20 0.23 0.28 0.00 0.00 0.00 178.15 178.65 3f29 h SER 505 N 1.11 0.36 -0.17 1.72 0.02 -0.72 -0.08 113.55 115.80 3f29 h SER 505 Ca 0.33 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 3f29 h SER 505 Cb -0.05 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3f29 h SER 505 CO -0.10 0.26 0.06 0.11 -1.14 0.00 0.00 176.83 176.02 3f29 h LYS 506 N 0.47 0.26 -0.50 3.45 1.79 -0.66 -1.62 116.57 119.76 3f29 h LYS 506 Ca 0.17 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.61 3f29 h LYS 506 Cb 0.04 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 3f29 h LYS 506 CO -0.10 0.36 0.31 0.77 -1.08 0.00 0.00 179.45 179.71 3f29 h SER 507 N 0.11 0.51 -0.84 0.86 0.02 -1.03 -1.42 113.55 111.77 3f29 h SER 507 Ca 0.06 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3f29 h SER 507 Cb 0.20 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 3f29 h SER 507 CO -0.00 0.36 0.56 0.11 -1.14 0.00 0.00 176.83 176.72 3f29 h LYS 508 N 0.62 1.11 -0.65 3.45 1.57 -0.90 0.11 116.57 121.88 3f29 h LYS 508 Ca 0.20 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3f29 h LYS 508 Cb -0.00 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.02 3f29 h LYS 508 CO -0.08 0.73 0.40 1.49 -0.57 0.00 0.00 179.45 181.42 3f29 h GLU 509 N 1.14 0.88 -0.45 3.15 4.81 -0.92 -1.87 114.58 121.31 3f29 h GLU 509 Ca 0.31 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.33 3f29 h GLU 509 Cb -0.13 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.05 3f29 h GLU 509 CO -0.07 0.62 -0.24 0.00 -0.73 0.00 0.00 179.01 178.59 3f29 h ALA 510 N 1.21 0.72 -0.38 2.92 0.00 -0.69 -1.65 119.26 121.37 3f29 h ALA 510 Ca 0.23 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3f29 h ALA 510 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3f29 h ALA 510 CO -0.05 0.67 0.24 0.28 0.00 0.00 0.00 179.25 180.40 3f29 h VAL 511 N 0.81 1.11 -0.50 0.00 2.07 -0.60 -0.72 116.25 118.42 3f29 h VAL 511 Ca 0.10 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 3f29 h VAL 511 Cb 0.81 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3f29 h VAL 511 CO 0.07 0.11 0.13 -1.28 0.02 0.00 0.00 177.57 176.62 3f29 h SER 512 N 0.51 0.75 -0.01 0.57 0.87 -1.27 0.92 113.55 115.90 3f29 h SER 512 Ca 0.14 -0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.49 3f29 h SER 512 Cb -0.04 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 3f29 h SER 512 CO -0.03 0.78 -0.09 0.25 -0.53 0.00 0.00 176.83 177.21 3f29 h LEU 513 N 0.69 -0.26 -0.29 2.23 5.85 -1.08 -1.44 115.31 121.01 3f29 h LEU 513 Ca 0.16 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 3f29 h LEU 513 Cb 0.31 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3f29 h LEU 513 CO -0.00 -0.13 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.68 3f29 h LEU 514 N -0.15 0.70 -0.62 2.25 3.38 -0.99 -1.84 115.31 118.05 3f29 h LEU 514 Ca 0.04 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.58 3f29 h LEU 514 Cb 0.20 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3f29 h LEU 514 CO -0.10 1.00 0.39 0.78 0.09 0.00 0.00 178.44 180.61 3f29 h ASN 515 N 0.41 0.66 -0.23 -0.43 2.35 -0.78 0.39 115.58 117.95 3f29 h ASN 515 Ca 0.06 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3f29 h ASN 515 Cb 0.78 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 3f29 h ASN 515 CO 0.06 0.47 0.04 0.44 -1.65 0.00 0.00 177.43 176.79 3f29 h ASP 516 N 0.79 0.36 -0.66 5.81 3.32 -1.22 -0.49 116.42 124.33 3f29 h ASP 516 Ca 0.24 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 57.04 3f29 h ASP 516 Cb -0.03 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3f29 h ASP 516 CO -0.08 0.53 0.44 0.00 -1.72 0.00 0.00 179.24 178.40 3f29 h ALA 517 N 0.85 0.84 -0.18 3.45 0.00 -1.14 -0.82 119.26 122.26 3f29 h ALA 517 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3f29 h ALA 517 Cb 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3f29 h ALA 517 CO 0.00 0.26 0.12 0.82 0.00 0.00 0.00 179.25 180.45 3f29 h ILE 518 N 0.89 1.05 -0.47 0.00 2.04 -0.77 -2.34 117.51 117.90 3f29 h ILE 518 Ca 0.24 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 3f29 h ILE 518 Cb -0.09 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3f29 h ILE 518 CO -0.06 0.05 0.17 0.44 0.00 0.00 0.00 178.15 178.75 3f29 h ASP 519 N 0.24 0.62 -0.04 1.72 3.32 -0.80 -1.78 116.42 119.70 3f29 h ASP 519 Ca 0.07 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 3f29 h ASP 519 Cb -0.03 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3f29 h ASP 519 CO -0.01 0.57 -0.25 0.00 -1.72 0.00 0.00 179.24 177.83 3f29 h ALA 520 N 1.52 1.12 -0.03 3.45 0.00 -0.96 -1.54 119.26 122.83 3f29 h ALA 520 Ca 0.16 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3f29 h ALA 520 Cb 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3f29 h ALA 520 CO -0.01 0.55 -0.59 1.96 0.00 0.00 0.00 179.25 181.15 3f29 h GLN 521 N 0.41 0.09 -0.09 0.00 1.08 -0.82 -2.79 115.11 112.99 3f29 h GLN 521 Ca 0.06 -0.06 -0.23 0.00 -1.45 0.00 0.00 58.65 56.97 3f29 h GLN 521 Cb 0.65 0.01 0.01 0.00 -0.05 0.00 0.00 27.48 28.10 3f29 h GLN 521 CO 0.05 0.66 -0.84 0.28 -0.95 0.00 0.00 178.83 178.02 3f29 h VAL 522 N 0.07 1.31 0.00 -0.54 2.07 -1.11 -2.42 116.25 115.63 3f29 h VAL 522 Ca -0.01 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.40 3f29 h VAL 522 Cb 1.07 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 3f29 h VAL 522 CO 0.08 0.66 0.00 0.00 0.02 0.00 0.00 177.57 178.33 3f29 n ALA 523 N -2.59 2.35 -0.43 1.67 0.00 -0.60 -5.11 120.51 115.80 3f29 n ALA 523 Ca -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3f29 n ALA 523 Cb 0.78 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3f29 n ALA 523 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37