#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr2 h PRO -1 N 0.00 0.00 -0.05 1.61 0.13 -2.12 -3.09 132.00 128.48 3mr2 h PRO -1 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3mr2 h PRO -1 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3mr2 h PRO -1 CO 0.00 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.49 3mr2 n HIS 0 N -2.92 0.04 -3.08 1.56 8.25 -1.26 -4.96 115.22 112.85 3mr2 n HIS 0 Ca 0.01 -0.03 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 3mr2 n HIS 0 Cb 0.30 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.35 3mr2 n HIS 0 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 3mr2 s MET 1 N -1.19 4.13 0.29 -0.41 0.00 -1.17 -5.02 119.30 115.93 3mr2 s MET 1 Ca 0.18 0.60 -0.29 0.00 0.00 0.00 0.00 55.69 56.18 3mr2 s MET 1 Cb 0.12 -3.64 -0.10 0.00 0.00 0.00 0.00 34.83 31.21 3mr2 s MET 1 CO 0.18 -0.40 1.38 0.00 0.00 0.00 0.00 175.02 176.18 3mr2 s ALA 2 N 2.47 3.56 -0.47 4.11 0.00 -1.26 -4.93 121.76 125.24 3mr2 s ALA 2 Ca 0.27 1.31 0.08 0.00 0.00 0.00 0.00 51.96 53.63 3mr2 s ALA 2 Cb -0.15 -3.52 0.23 0.00 0.00 0.00 0.00 23.12 19.67 3mr2 s ALA 2 CO 0.09 -0.71 1.18 0.25 0.00 0.00 0.00 175.76 176.57 3mr2 n THR 3 N 1.56 1.22 -3.34 0.00 -2.24 -1.26 -4.98 114.28 105.24 3mr2 n THR 3 Ca 0.03 -1.20 -0.24 0.00 -2.27 0.00 0.00 64.05 60.38 3mr2 n THR 3 Cb 0.41 0.35 0.05 0.00 -2.10 0.00 0.00 70.33 69.05 3mr2 n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mr2 n GLY 4 N -0.09 -0.53 0.41 3.38 0.00 -1.26 -4.84 105.19 102.26 3mr2 n GLY 4 Ca 0.09 0.19 0.09 0.00 0.00 0.00 0.00 46.02 46.39 3mr2 n GLY 4 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mr2 n GLN 5 N -4.47 2.01 0.12 1.61 6.02 -1.26 -4.74 117.38 116.67 3mr2 n GLN 5 Ca -0.05 -2.65 -0.02 0.00 -0.01 0.00 0.00 57.00 54.27 3mr2 n GLN 5 Cb 0.59 -1.62 0.09 0.00 1.02 0.00 0.00 30.24 30.31 3mr2 n GLN 5 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 3mr2 h ASP 6 N 0.76 0.00 -2.16 1.08 2.03 -1.90 -3.46 116.42 112.77 3mr2 h ASP 6 Ca 0.00 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.71 3mr2 h ASP 6 Cb 1.16 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.53 3mr2 h ASP 6 CO 0.09 0.72 -0.67 -0.13 -1.03 0.00 0.00 179.24 178.22 3mr2 s ARG 7 N -3.30 1.77 -0.22 4.15 0.52 -1.26 -5.02 118.95 115.59 3mr2 s ARG 7 Ca -0.00 -1.92 0.01 0.00 -0.52 0.00 0.00 55.73 53.29 3mr2 s ARG 7 Cb 0.11 -1.55 0.03 0.00 0.52 0.00 0.00 34.95 34.07 3mr2 s ARG 7 CO 0.77 0.09 -0.14 0.08 0.02 0.00 0.00 175.30 176.12 3mr2 s VAL 8 N -2.73 2.31 -0.02 3.52 1.01 -1.26 -4.35 120.40 118.88 3mr2 s VAL 8 Ca 0.32 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 61.19 3mr2 s VAL 8 Cb 0.04 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 3mr2 s VAL 8 CO 0.16 0.29 -0.15 -0.69 0.00 0.00 0.00 175.10 174.71 3mr2 s VAL 9 N 1.25 1.19 0.19 2.92 1.01 0.02 -0.42 120.40 126.55 3mr2 s VAL 9 Ca -0.00 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.45 3mr2 s VAL 9 Cb -0.16 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3mr2 s VAL 9 CO -0.08 0.34 -0.19 0.00 0.00 0.00 0.00 175.10 175.16 3mr2 s ALA 10 N -0.19 2.20 -0.19 5.51 0.00 -0.30 -1.03 121.76 127.76 3mr2 s ALA 10 Ca 0.02 -1.58 0.01 0.00 0.00 0.00 0.00 51.96 50.41 3mr2 s ALA 10 Cb -0.08 -0.21 0.04 0.00 0.00 0.00 0.00 23.12 22.87 3mr2 s ALA 10 CO 0.00 0.27 -0.13 -1.17 0.00 0.00 0.00 175.76 174.72 3mr2 s LEU 11 N -2.82 2.31 -0.24 0.00 0.20 -0.13 -0.42 118.68 117.58 3mr2 s LEU 11 Ca 0.19 -0.84 -0.09 0.00 0.69 0.00 0.00 54.13 54.09 3mr2 s LEU 11 Cb -0.06 -1.33 -0.04 0.00 -0.43 0.00 0.00 46.19 44.34 3mr2 s LEU 11 CO 0.08 -0.10 0.11 -0.69 -0.29 0.00 0.00 176.35 175.46 3mr2 s VAL 12 N 1.34 4.77 -0.06 1.68 1.01 -0.70 -0.96 120.40 127.49 3mr2 s VAL 12 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.00 3mr2 s VAL 12 Cb -0.15 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.01 3mr2 s VAL 12 CO -0.09 0.35 -0.17 -0.62 0.00 0.00 0.00 175.10 174.57 3mr2 s ASP 13 N 1.27 2.20 0.43 3.32 -1.08 -0.23 -2.00 116.67 120.58 3mr2 s ASP 13 Ca 0.06 -0.37 -0.24 0.00 -0.52 0.00 0.00 52.55 51.47 3mr2 s ASP 13 Cb -0.14 -0.83 -0.08 0.00 -1.46 0.00 0.00 42.92 40.40 3mr2 s ASP 13 CO 0.05 0.11 1.18 -0.04 0.52 0.00 0.00 175.17 176.99 3mr2 s MET 14 N 0.32 3.90 0.12 4.34 -1.94 -0.41 -1.27 119.30 124.36 3mr2 s MET 14 Ca -0.10 1.85 -0.29 0.00 -1.71 0.00 0.00 55.69 55.43 3mr2 s MET 14 Cb -0.14 -2.56 -0.06 0.00 2.01 0.00 0.00 34.83 34.07 3mr2 s MET 14 CO 0.04 -0.45 0.92 -0.51 -0.01 0.00 0.00 175.02 175.01 3mr2 s ASP 15 N -1.19 7.47 -0.33 3.03 1.01 -0.98 -4.15 116.67 121.53 3mr2 s ASP 15 Ca 0.60 1.76 -0.08 0.00 0.71 0.00 0.00 52.55 55.54 3mr2 s ASP 15 Cb -0.31 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.07 3mr2 s ASP 15 CO 0.38 -0.01 0.19 0.00 0.21 0.00 0.00 175.17 175.94 3mr2 h PHE 17 N 1.26 -1.18 -0.38 0.00 3.57 -1.94 -0.42 116.94 117.84 3mr2 h PHE 17 Ca -0.21 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.32 3mr2 h PHE 17 Cb 0.41 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 3mr2 h PHE 17 CO 0.10 -0.64 0.25 0.74 -2.23 0.00 0.00 178.31 176.53 3mr2 h PHE 18 N -1.02 0.37 -0.09 0.41 -1.00 -1.95 -1.30 116.94 112.35 3mr2 h PHE 18 Ca -0.08 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.71 3mr2 h PHE 18 Cb 0.85 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 40.28 3mr2 h PHE 18 CO -0.14 0.22 0.04 0.28 -1.61 0.00 0.00 178.31 177.09 3mr2 h VAL 19 N 0.39 1.15 -0.98 -0.55 2.07 -1.58 -2.36 116.25 114.38 3mr2 h VAL 19 Ca 0.15 -0.45 0.10 0.00 0.82 0.00 0.00 66.70 67.32 3mr2 h VAL 19 Cb 0.13 1.28 -0.08 0.00 -1.52 0.00 0.00 31.29 31.11 3mr2 h VAL 19 CO -0.04 0.13 0.62 1.56 0.02 0.00 0.00 177.57 179.86 3mr2 h GLN 20 N -0.02 0.99 -0.48 1.57 4.20 -0.21 0.27 115.11 121.44 3mr2 h GLN 20 Ca 0.03 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.73 3mr2 h GLN 20 Cb 0.18 -0.22 -0.05 0.00 0.30 0.00 0.00 27.48 27.69 3mr2 h GLN 20 CO -0.00 0.66 0.20 0.28 -0.67 0.00 0.00 178.83 179.30 3mr2 h VAL 21 N 1.02 0.90 -0.12 -0.54 2.07 -1.01 0.14 116.25 118.70 3mr2 h VAL 21 Ca 0.47 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 67.74 3mr2 h VAL 21 Cb 0.38 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3mr2 h VAL 21 CO -0.24 0.07 -0.42 -0.33 0.02 0.00 0.00 177.57 176.68 3mr2 h GLU 22 N 0.40 0.28 -0.17 1.57 4.39 -0.83 -2.71 114.58 117.51 3mr2 h GLU 22 Ca 0.22 -0.14 -0.17 0.00 0.34 0.00 0.00 59.36 59.61 3mr2 h GLU 22 Cb 0.18 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3mr2 h GLU 22 CO -0.19 0.65 -0.60 1.96 -1.16 0.00 0.00 179.01 179.67 3mr2 h GLN 23 N 0.23 0.58 -0.67 2.33 4.20 -0.15 0.13 115.11 121.77 3mr2 h GLN 23 Ca 0.02 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.33 3mr2 h GLN 23 Cb 0.84 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.64 3mr2 h GLN 23 CO 0.07 1.01 0.39 -0.09 -0.67 0.00 0.00 178.83 179.53 3mr2 h ARG 24 N 0.43 0.91 -0.24 1.46 2.43 -0.58 -3.20 114.38 115.59 3mr2 h ARG 24 Ca -0.00 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 58.98 3mr2 h ARG 24 Cb 1.17 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3mr2 h ARG 24 CO 0.11 0.67 -0.21 0.37 -1.51 0.00 0.00 179.97 179.40 3mr2 h GLN 25 N 0.91 0.57 -4.08 0.20 4.15 -1.36 -3.39 115.11 112.11 3mr2 h GLN 25 Ca 0.24 -0.29 -0.68 0.00 0.77 0.00 0.00 58.65 58.69 3mr2 h GLN 25 Cb 0.00 0.00 -0.37 0.00 0.21 0.00 0.00 27.48 27.32 3mr2 h GLN 25 CO -0.04 0.87 -0.55 1.21 -1.93 0.00 0.00 178.83 178.39 3mr2 s ASN 26 N -6.35 4.97 0.60 -0.69 3.84 0.45 -4.98 114.94 112.77 3mr2 s ASN 26 Ca -0.13 -2.47 0.29 0.00 0.21 0.00 0.00 52.86 50.76 3mr2 s ASN 26 Cb 0.07 -1.76 1.60 0.00 -0.55 0.00 0.00 41.25 40.61 3mr2 s ASN 26 CO 0.80 -0.40 2.00 -0.65 -2.79 0.00 0.00 177.10 176.05 3mr2 h PRO 27 N 7.38 0.00 0.00 0.43 0.11 -1.76 -0.57 132.00 137.59 3mr2 h PRO 27 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3mr2 h PRO 27 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3mr2 h PRO 27 CO 0.66 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.90 3mr2 h HIS 28 N 0.00 0.00 0.00 0.65 3.86 -1.94 -2.32 115.15 115.40 3mr2 h HIS 28 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3mr2 h HIS 28 Cb 0.78 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.25 3mr2 h HIS 28 CO 0.00 0.00 -0.82 1.28 0.86 0.00 0.00 177.93 179.25 3mr2 n LEU 29 N -2.91 0.64 -4.77 2.43 4.77 -0.22 -4.94 117.00 112.00 3mr2 n LEU 29 Ca -0.01 0.09 -0.39 0.00 -0.03 0.00 0.00 56.01 55.66 3mr2 n LEU 29 Cb 0.16 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3mr2 n LEU 29 CO 0.21 0.01 1.00 -0.13 -1.33 0.00 0.00 177.39 177.14 3mr2 s ARG 30 N -3.17 3.84 -1.49 3.23 0.52 -0.88 -3.14 118.95 117.87 3mr2 s ARG 30 Ca 0.05 2.24 -0.12 0.00 -0.52 0.00 0.00 55.73 57.38 3mr2 s ARG 30 Cb 0.14 -2.70 0.07 0.00 0.52 0.00 0.00 34.95 32.98 3mr2 s ARG 30 CO 0.76 -0.62 0.95 0.09 0.02 0.00 0.00 175.30 176.49 3mr2 n ASN 31 N -0.03 -5.13 -4.13 0.23 3.02 -1.26 -4.98 115.26 102.98 3mr2 n ASN 31 Ca 0.04 -0.66 -0.12 0.00 -0.03 0.00 0.00 54.58 53.81 3mr2 n ASN 31 Cb 0.43 -4.09 -0.11 0.00 -0.61 0.00 0.00 39.78 35.40 3mr2 n ASN 31 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mr2 s LYS 32 N -6.45 0.72 -0.02 3.52 1.02 -1.19 -5.06 119.74 112.29 3mr2 s LYS 32 Ca 0.60 -1.11 -0.30 0.00 0.02 0.00 0.00 55.97 55.19 3mr2 s LYS 32 Cb -0.30 -0.27 -0.06 0.00 -0.52 0.00 0.00 37.83 36.68 3mr2 s LYS 32 CO 0.75 0.02 1.65 -1.25 -0.92 0.00 0.00 175.35 175.59 3mr2 s PRO 33 N -2.91 4.19 0.25 -1.68 0.04 -1.26 -4.63 135.00 129.00 3mr2 s PRO 33 Ca 0.03 2.22 -0.20 0.00 0.04 0.00 0.00 61.00 63.09 3mr2 s PRO 33 Cb -0.01 -3.88 0.03 0.00 0.04 0.00 0.00 34.50 30.67 3mr2 s PRO 33 CO -0.02 -0.81 0.64 0.00 0.04 0.00 0.00 177.00 176.85 3mr2 s ALA 35 N -3.90 -0.65 -0.16 0.00 0.00 -0.12 -0.74 121.76 116.18 3mr2 s ALA 35 Ca 0.11 -0.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.95 3mr2 s ALA 35 Cb -0.04 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 3mr2 s ALA 35 CO 0.03 -0.43 0.05 0.08 0.00 0.00 0.00 175.76 175.48 3mr2 s VAL 36 N -2.73 4.68 0.16 0.00 1.01 -0.39 -1.17 120.40 121.94 3mr2 s VAL 36 Ca -0.04 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 61.93 3mr2 s VAL 36 Cb -0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 3mr2 s VAL 36 CO -0.04 0.49 -0.14 0.68 0.00 0.00 0.00 175.10 176.09 3mr2 s VAL 37 N 0.11 1.48 0.04 2.92 -7.23 0.06 -0.52 120.40 117.25 3mr2 s VAL 37 Ca 0.04 -1.95 0.08 0.00 -1.81 0.00 0.00 61.98 58.34 3mr2 s VAL 37 Cb -0.12 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 3mr2 s VAL 37 CO 0.01 -0.52 -0.23 0.00 -0.31 0.00 0.00 175.10 174.05 3mr2 s GLN 38 N -3.17 1.62 -0.46 4.82 -2.07 -0.37 -0.71 119.66 119.33 3mr2 s GLN 38 Ca 0.15 -1.00 -0.12 0.00 -1.82 0.00 0.00 55.36 52.57 3mr2 s GLN 38 Cb -0.02 -1.75 0.01 0.00 -1.09 0.00 0.00 33.01 30.17 3mr2 s GLN 38 CO 0.04 0.45 0.57 0.66 -1.32 0.00 0.00 175.29 175.70 3mr2 n TYR 39 N 1.90 -3.15 0.34 9.60 4.01 -1.26 -1.24 117.16 127.36 3mr2 n TYR 39 Ca -0.17 1.26 0.15 0.00 -0.16 0.00 0.00 57.90 58.98 3mr2 n TYR 39 Cb 0.53 -3.91 0.60 0.00 -0.31 0.00 0.00 39.34 36.24 3mr2 n TYR 39 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3mr2 h LYS 40 N 1.57 0.00 -0.09 -0.72 1.57 -1.92 -3.05 116.57 113.92 3mr2 h LYS 40 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 3mr2 h LYS 40 Cb 0.94 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 3mr2 h LYS 40 CO 0.20 0.00 -0.49 0.66 -0.57 0.00 0.00 179.45 179.26 3mr2 h SER 41 N 0.00 0.25 -3.47 0.86 4.64 -1.91 -2.84 113.55 111.08 3mr2 h SER 41 Ca 0.00 -0.12 -0.72 0.00 -0.47 0.00 0.00 61.79 60.48 3mr2 h SER 41 Cb 0.44 -0.07 -0.21 0.00 -0.31 0.00 0.00 62.40 62.24 3mr2 h SER 41 CO 0.00 0.70 -0.42 0.86 -0.87 0.00 0.00 176.83 177.10 3mr2 s TRP 42 N -3.99 3.24 -1.52 4.77 -0.11 -1.21 -4.44 118.94 115.68 3mr2 s TRP 42 Ca -0.04 -0.67 -0.02 0.00 1.22 0.00 0.00 56.10 56.58 3mr2 s TRP 42 Cb 0.13 -2.67 0.01 0.00 -1.50 0.00 0.00 33.47 29.43 3mr2 s TRP 42 CO 0.78 -0.63 0.23 1.63 -4.62 0.00 0.00 176.95 174.34 3mr2 n LYS 43 N 5.16 -2.93 -0.48 5.86 5.02 -1.26 -0.95 118.16 128.57 3mr2 n LYS 43 Ca -0.11 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 3mr2 n LYS 43 Cb 0.46 -5.56 0.00 0.00 -0.02 0.00 0.00 35.03 29.91 3mr2 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mr2 n GLY 44 N -1.14 1.56 0.00 0.72 0.00 -1.08 -0.79 105.19 104.46 3mr2 n GLY 44 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3mr2 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mr2 n GLY 45 N -2.00 2.55 3.72 -0.02 0.00 -0.13 -4.50 105.19 104.82 3mr2 n GLY 45 Ca 0.00 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 3mr2 n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mr2 s GLY 46 N 0.00 2.40 -0.03 -0.02 0.00 -0.37 -0.26 107.32 109.04 3mr2 s GLY 46 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 44.72 44.24 3mr2 s GLY 46 CO 0.00 0.77 0.96 -0.42 0.00 0.00 0.00 173.10 174.42 3mr2 s ILE 47 N 0.62 4.86 -0.19 0.90 1.01 -0.36 -1.24 121.20 126.81 3mr2 s ILE 47 Ca 0.26 2.01 0.05 0.00 0.00 0.00 0.00 60.65 62.97 3mr2 s ILE 47 Cb -0.15 -4.30 -0.06 0.00 0.01 0.00 0.00 42.46 37.96 3mr2 s ILE 47 CO 0.10 0.13 0.20 2.30 0.00 0.00 0.00 174.94 177.67 3mr2 n ILE 48 N 4.04 0.00 -3.70 2.92 -5.35 0.32 -0.81 119.36 116.78 3mr2 n ILE 48 Ca 0.06 -0.32 -0.14 0.00 -0.27 0.00 0.00 62.75 62.08 3mr2 n ILE 48 Cb 0.50 0.85 -0.08 0.00 -1.74 0.00 0.00 39.64 39.18 3mr2 n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mr2 s ALA 49 N -1.70 -1.05 -0.04 -1.28 0.00 -1.19 -4.91 121.76 111.59 3mr2 s ALA 49 Ca 0.01 0.68 -0.02 0.00 0.00 0.00 0.00 51.96 52.63 3mr2 s ALA 49 Cb 0.04 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.14 3mr2 s ALA 49 CO 0.22 -0.28 0.08 0.08 0.00 0.00 0.00 175.76 175.87 3mr2 s VAL 50 N -1.09 -0.08 0.78 0.00 1.01 -1.26 -1.27 120.40 118.49 3mr2 s VAL 50 Ca -0.11 0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 3mr2 s VAL 50 Cb -0.04 -0.16 0.07 0.00 0.00 0.00 0.00 36.38 36.25 3mr2 s VAL 50 CO 0.05 0.10 1.16 -0.94 0.00 0.00 0.00 175.10 175.47 3mr2 s SER 51 N 1.37 4.03 0.37 3.32 1.04 0.09 -4.73 113.70 119.17 3mr2 s SER 51 Ca -0.06 2.16 0.15 0.00 0.48 0.00 0.00 55.95 58.68 3mr2 s SER 51 Cb -0.12 -2.57 0.71 0.00 0.10 0.00 0.00 66.02 64.14 3mr2 s SER 51 CO -0.04 -2.37 1.78 1.88 0.98 0.00 0.00 173.24 175.47 3mr2 h TYR 52 N -0.84 0.00 -0.79 5.02 -1.99 -1.90 -1.11 116.97 115.37 3mr2 h TYR 52 Ca -0.45 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.25 3mr2 h TYR 52 Cb 1.27 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.96 3mr2 h TYR 52 CO 0.51 0.40 0.40 0.93 -0.00 0.00 0.00 178.16 180.40 3mr2 h GLU 53 N 0.00 1.12 -0.17 4.88 3.07 -1.91 -2.60 114.58 118.96 3mr2 h GLU 53 Ca -0.00 -0.15 -0.17 0.00 -0.50 0.00 0.00 59.36 58.54 3mr2 h GLU 53 Cb 0.78 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.47 3mr2 h GLU 53 CO 0.05 0.85 -0.60 0.00 -1.40 0.00 0.00 179.01 177.91 3mr2 h ALA 54 N 1.32 0.63 -0.26 3.43 0.00 -1.65 -3.14 119.26 119.58 3mr2 h ALA 54 Ca 0.28 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 54.70 3mr2 h ALA 54 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3mr2 h ALA 54 CO -0.04 0.70 0.18 0.00 0.00 0.00 0.00 179.25 180.09 3mr2 h ARG 55 N 0.43 0.10 0.00 0.00 3.08 -0.85 -1.60 114.38 115.55 3mr2 h ARG 55 Ca -0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3mr2 h ARG 55 Cb 1.16 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.19 3mr2 h ARG 55 CO 0.11 0.07 -0.04 0.00 -1.07 0.00 0.00 179.97 179.05 3mr2 h ALA 56 N 1.86 1.19 -0.01 0.04 0.00 -1.45 0.66 119.26 121.56 3mr2 h ALA 56 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mr2 h ALA 56 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3mr2 h ALA 56 CO -0.01 0.05 -0.24 1.19 0.00 0.00 0.00 179.25 180.23 3mr2 n PHE 57 N -3.41 0.00 -0.16 0.00 3.72 -0.61 -4.94 117.46 112.06 3mr2 n PHE 57 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3mr2 n PHE 57 Cb 0.16 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 3mr2 n PHE 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mr2 n GLY 58 N 1.33 0.81 3.74 1.37 0.00 0.22 -4.77 105.19 107.90 3mr2 n GLY 58 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3mr2 n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mr2 s VAL 59 N -2.11 3.33 0.13 1.61 1.01 -1.15 -5.01 120.40 118.22 3mr2 s VAL 59 Ca 0.00 1.16 -0.02 0.00 0.00 0.00 0.00 61.98 63.12 3mr2 s VAL 59 Cb 0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3mr2 s VAL 59 CO 0.00 0.21 0.08 0.42 0.00 0.00 0.00 175.10 175.80 3mr2 s THR 60 N -0.28 0.10 0.51 3.92 -4.23 -1.26 -4.31 115.64 110.09 3mr2 s THR 60 Ca 0.52 -1.85 -0.22 0.00 -1.18 0.00 0.00 61.69 58.96 3mr2 s THR 60 Cb -0.35 -2.01 -0.07 0.00 1.34 0.00 0.00 72.50 71.42 3mr2 s THR 60 CO 0.40 -0.46 1.24 -1.14 -0.54 0.00 0.00 174.62 174.12 3mr2 n ARG 61 N -0.10 1.62 -0.28 3.99 0.63 -1.26 -2.72 116.66 118.54 3mr2 n ARG 61 Ca -0.06 0.59 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 3mr2 n ARG 61 Cb 0.64 -2.42 0.00 0.00 0.45 0.00 0.00 32.46 31.13 3mr2 n ARG 61 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3mr2 n SER 62 N -0.49 0.00 -4.80 6.15 3.41 0.01 -4.99 113.62 112.91 3mr2 n SER 62 Ca 0.10 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.35 3mr2 n SER 62 Cb 0.43 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.32 3mr2 n SER 62 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3mr2 s MET 63 N -0.14 4.39 0.31 4.33 1.75 -1.10 -4.80 119.30 124.04 3mr2 s MET 63 Ca 0.00 1.27 -0.28 0.00 -1.25 0.00 0.00 55.69 55.43 3mr2 s MET 63 Cb 0.00 -2.53 -0.09 0.00 2.84 0.00 0.00 34.83 35.05 3mr2 s MET 63 CO 0.00 0.10 1.07 -1.58 -0.65 0.00 0.00 175.02 173.96 3mr2 s TRP 64 N -1.84 3.52 0.27 4.11 0.23 -1.26 -1.22 118.94 122.76 3mr2 s TRP 64 Ca 0.56 1.70 -0.03 0.00 -2.03 0.00 0.00 56.10 56.30 3mr2 s TRP 64 Cb -0.15 -3.22 0.38 0.00 0.03 0.00 0.00 33.47 30.51 3mr2 s TRP 64 CO 0.20 -0.49 1.91 0.00 0.96 0.00 0.00 176.95 179.53 3mr2 h ALA 65 N 3.47 1.37 -0.99 0.98 0.00 -0.52 0.21 119.26 123.78 3mr2 h ALA 65 Ca -0.47 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.44 3mr2 h ALA 65 Cb 1.21 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 3mr2 h ALA 65 CO 0.66 0.52 0.65 -0.44 0.00 0.00 0.00 179.25 180.64 3mr2 h ASP 66 N 1.22 1.07 -0.25 0.00 3.32 -1.22 -0.30 116.42 120.27 3mr2 h ASP 66 Ca 0.40 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.26 3mr2 h ASP 66 Cb 0.03 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.34 3mr2 h ASP 66 CO -0.13 0.73 -0.55 0.44 -1.72 0.00 0.00 179.24 178.01 3mr2 h ASP 67 N 1.24 0.91 -0.92 6.45 3.32 -1.35 -3.17 116.42 122.90 3mr2 h ASP 67 Ca 0.40 -0.55 0.04 0.00 0.02 0.00 0.00 57.03 56.94 3mr2 h ASP 67 Cb 0.02 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.25 3mr2 h ASP 67 CO -0.13 1.29 0.60 0.00 -1.72 0.00 0.00 179.24 179.28 3mr2 h ALA 68 N 0.64 1.24 0.00 3.45 0.00 -0.05 -1.58 119.26 122.95 3mr2 h ALA 68 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mr2 h ALA 68 Cb 1.16 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3mr2 h ALA 68 CO 0.12 0.44 -0.01 0.87 0.00 0.00 0.00 179.25 180.67 3mr2 h LYS 69 N 1.14 0.00 -0.43 0.00 1.79 -1.07 -0.26 116.57 117.74 3mr2 h LYS 69 Ca 0.38 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.74 3mr2 h LYS 69 Cb 0.05 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 3mr2 h LYS 69 CO -0.13 0.01 -0.16 0.87 -1.08 0.00 0.00 179.45 178.95 3mr2 h LYS 70 N 0.00 0.81 0.06 3.15 1.57 -1.26 -2.36 116.57 118.54 3mr2 h LYS 70 Ca -0.00 -0.30 -0.24 0.00 -1.87 0.00 0.00 60.65 58.24 3mr2 h LYS 70 Cb 0.02 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3mr2 h LYS 70 CO 0.00 0.92 -1.07 -0.07 -0.57 0.00 0.00 179.45 178.66 3mr2 h LEU 71 N 0.72 0.37 -6.60 2.94 3.38 -1.33 -3.41 115.31 111.38 3mr2 h LEU 71 Ca 0.11 -0.35 -0.59 0.00 0.09 0.00 0.00 57.88 57.14 3mr2 h LEU 71 Cb 0.67 -0.12 -0.39 0.00 0.09 0.00 0.00 40.66 40.91 3mr2 h LEU 71 CO 0.05 1.22 -0.86 0.00 0.09 0.00 0.00 178.44 178.94 3mr2 h PRO 73 N 6.57 0.50 -0.60 0.00 0.11 -1.68 -1.65 132.00 135.25 3mr2 h PRO 73 Ca 0.11 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3mr2 h PRO 73 Cb 0.94 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3mr2 h PRO 73 CO 0.34 0.33 0.00 -0.25 -0.21 0.00 0.00 178.00 178.21 3mr2 n ASP 74 N -4.49 3.53 -4.69 -2.05 10.43 -1.26 -4.95 116.55 113.07 3mr2 n ASP 74 Ca 0.13 -2.27 -0.44 0.00 2.57 0.00 0.00 54.79 54.78 3mr2 n ASP 74 Cb 0.42 -0.47 -0.04 0.00 1.84 0.00 0.00 41.12 42.87 3mr2 n ASP 74 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 3mr2 n LEU 75 N 0.84 3.60 -4.89 0.64 7.94 -0.62 -4.83 117.00 119.68 3mr2 n LEU 75 Ca 0.19 1.05 -0.32 0.00 -1.11 0.00 0.00 56.01 55.82 3mr2 n LEU 75 Cb 0.65 -1.50 -0.05 0.00 0.53 0.00 0.00 43.42 43.06 3mr2 n LEU 75 CO 0.17 -0.03 0.06 -0.76 -1.11 0.00 0.00 177.39 175.72 3mr2 s LEU 76 N 1.53 4.26 0.04 -1.96 1.43 0.01 -4.98 118.68 119.01 3mr2 s LEU 76 Ca 0.79 0.64 0.04 0.00 -1.03 0.00 0.00 54.13 54.57 3mr2 s LEU 76 Cb -0.59 -3.35 -0.02 0.00 0.03 0.00 0.00 46.19 42.27 3mr2 s LEU 76 CO 0.37 0.04 -0.13 -0.76 0.23 0.00 0.00 176.35 176.10 3mr2 s LEU 77 N -2.65 2.18 -0.05 1.79 1.43 -1.26 -0.95 118.68 119.18 3mr2 s LEU 77 Ca 0.42 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 53.11 3mr2 s LEU 77 Cb -0.12 -0.52 -0.01 0.00 0.03 0.00 0.00 46.19 45.58 3mr2 s LEU 77 CO 0.24 -0.00 -0.20 0.00 0.23 0.00 0.00 176.35 176.61 3mr2 s ALA 78 N -0.90 1.77 -0.09 4.21 0.00 -0.32 -4.96 121.76 121.47 3mr2 s ALA 78 Ca -0.00 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 3mr2 s ALA 78 Cb -0.08 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 3mr2 s ALA 78 CO 0.01 0.34 0.29 -0.65 0.00 0.00 0.00 175.76 175.74 3mr2 s GLN 79 N -0.06 3.89 0.35 0.00 -0.21 -1.26 -0.76 119.66 121.61 3mr2 s GLN 79 Ca -0.03 0.14 -0.28 0.00 0.02 0.00 0.00 55.36 55.21 3mr2 s GLN 79 Cb -0.12 -3.28 -0.10 0.00 1.00 0.00 0.00 33.01 30.51 3mr2 s GLN 79 CO 0.03 0.56 1.33 0.08 -2.12 0.00 0.00 175.29 175.17 3mr2 s VAL 80 N -0.53 2.60 0.53 1.09 1.01 0.11 -4.92 120.40 120.29 3mr2 s VAL 80 Ca 0.19 0.60 -0.22 0.00 0.00 0.00 0.00 61.98 62.54 3mr2 s VAL 80 Cb -0.14 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.80 3mr2 s VAL 80 CO 0.07 0.13 1.22 -1.14 0.00 0.00 0.00 175.10 175.38 3mr2 n ARG 81 N 0.63 1.50 -5.15 2.72 0.63 -1.26 -4.82 116.66 110.91 3mr2 n ARG 81 Ca 0.01 0.55 -0.31 0.00 -0.92 0.00 0.00 57.85 57.18 3mr2 n ARG 81 Cb 0.42 -2.39 -0.17 0.00 0.45 0.00 0.00 32.46 30.77 3mr2 n ARG 81 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 3mr2 s GLU 82 N -2.66 2.76 -0.02 -0.14 2.12 -1.26 -0.44 118.70 119.06 3mr2 s GLU 82 Ca 0.70 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 55.21 3mr2 s GLU 82 Cb -0.45 -2.15 0.02 0.00 0.26 0.00 0.00 34.13 31.82 3mr2 s GLU 82 CO 0.51 0.21 -0.00 -1.12 -0.54 0.00 0.00 175.26 174.31 3mr2 s SER 83 N 0.26 0.36 -1.57 -1.70 0.01 0.24 -4.82 113.70 106.47 3mr2 s SER 83 Ca -0.15 -0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.05 3mr2 s SER 83 Cb -0.17 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 65.89 3mr2 s SER 83 CO 0.07 -0.08 0.50 0.54 0.41 0.00 0.00 173.24 174.68 3mr2 n ARG 84 N 3.97 -4.31 -1.01 12.44 1.74 -1.26 -1.99 116.66 126.25 3mr2 n ARG 84 Ca -0.25 0.89 -0.00 0.00 -0.77 0.00 0.00 57.85 57.72 3mr2 n ARG 84 Cb 0.52 -5.72 -0.00 0.00 -1.02 0.00 0.00 32.46 26.24 3mr2 n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mr2 n GLY 85 N -1.42 0.47 3.17 -0.13 0.00 -1.26 -4.93 105.19 101.09 3mr2 n GLY 85 Ca -0.13 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 3mr2 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mr2 s LYS 86 N -0.55 0.96 0.29 1.61 -2.85 -0.84 -5.13 119.74 113.23 3mr2 s LYS 86 Ca 0.00 -1.46 -0.29 0.00 -1.00 0.00 0.00 55.97 53.22 3mr2 s LYS 86 Cb 0.00 0.14 -0.10 0.00 -2.06 0.00 0.00 37.83 35.81 3mr2 s LYS 86 CO 0.00 -0.23 1.39 0.00 0.10 0.00 0.00 175.35 176.61 3mr2 s ALA 87 N -3.97 3.57 -0.27 0.59 0.00 -1.26 -0.60 121.76 119.83 3mr2 s ALA 87 Ca 0.24 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.53 3mr2 s ALA 87 Cb 0.07 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.71 3mr2 s ALA 87 CO 0.02 -0.72 -0.08 1.21 0.00 0.00 0.00 175.76 176.18 3mr2 s ASN 88 N 0.03 4.49 -0.19 0.00 3.84 0.42 -4.79 114.94 118.73 3mr2 s ASN 88 Ca 0.55 -1.30 0.10 0.00 0.21 0.00 0.00 52.86 52.43 3mr2 s ASN 88 Cb -0.41 -1.60 0.62 0.00 -0.55 0.00 0.00 41.25 39.32 3mr2 s ASN 88 CO 0.48 -0.19 1.47 0.18 -2.79 0.00 0.00 177.10 176.25 3mr2 n LEU 89 N 4.50 4.73 -0.30 3.21 4.77 -1.26 -4.09 117.00 128.55 3mr2 n LEU 89 Ca -0.14 -2.41 -0.00 0.00 -0.03 0.00 0.00 56.01 53.43 3mr2 n LEU 89 Cb 0.43 -0.65 0.12 0.00 -2.33 0.00 0.00 43.42 40.99 3mr2 n LEU 89 CO 0.23 0.56 1.19 0.74 -1.33 0.00 0.00 177.39 178.79 3mr2 h THR 90 N 2.91 1.08 -0.91 -5.08 2.02 -1.96 -1.73 112.91 109.24 3mr2 h THR 90 Ca 0.03 -0.34 0.07 0.00 0.77 0.00 0.00 66.41 66.94 3mr2 h THR 90 Cb 1.69 -0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 68.04 3mr2 h THR 90 CO 0.41 0.18 0.59 0.50 0.37 0.00 0.00 175.52 177.57 3mr2 h LYS 91 N 0.99 1.00 0.04 6.66 3.64 -2.00 -0.19 116.57 126.71 3mr2 h LYS 91 Ca 0.35 -0.06 -0.22 0.00 -1.27 0.00 0.00 60.65 59.45 3mr2 h LYS 91 Cb 0.10 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3mr2 h LYS 91 CO -0.15 0.66 -1.02 1.88 -2.27 0.00 0.00 179.45 178.56 3mr2 h TYR 92 N 1.03 0.28 -0.52 1.91 -1.99 -1.70 -2.08 116.97 113.89 3mr2 h TYR 92 Ca 0.39 -0.18 -0.11 0.00 2.00 0.00 0.00 58.73 60.83 3mr2 h TYR 92 Cb 0.20 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 3mr2 h TYR 92 CO -0.00 1.07 -0.11 0.00 -0.00 0.00 0.00 178.16 179.12 3mr2 h ARG 93 N 0.07 0.99 -0.53 4.88 3.08 -0.89 0.49 114.38 122.47 3mr2 h ARG 93 Ca -0.06 -0.36 -0.07 0.00 0.07 0.00 0.00 59.98 59.56 3mr2 h ARG 93 Cb 1.71 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.67 3mr2 h ARG 93 CO 0.15 1.03 0.04 0.93 -1.07 0.00 0.00 179.97 181.06 3mr2 h GLU 94 N 0.88 0.90 -0.90 0.04 5.08 -1.03 -1.32 114.58 118.24 3mr2 h GLU 94 Ca 0.14 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3mr2 h GLU 94 Cb 0.66 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 3mr2 h GLU 94 CO 0.05 0.90 0.49 0.00 -1.00 0.00 0.00 179.01 179.45 3mr2 h ALA 95 N 0.96 1.18 -0.53 3.43 0.00 -1.18 -2.26 119.26 120.87 3mr2 h ALA 95 Ca 0.15 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3mr2 h ALA 95 Cb 0.47 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3mr2 h ALA 95 CO 0.02 0.66 0.30 1.03 0.00 0.00 0.00 179.25 181.26 3mr2 h SER 96 N 1.26 0.47 -0.80 0.00 0.87 -0.57 -2.29 113.55 112.48 3mr2 h SER 96 Ca 0.32 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.96 3mr2 h SER 96 Cb 0.02 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 61.84 3mr2 h SER 96 CO -0.05 0.33 0.47 0.58 -0.53 0.00 0.00 176.83 177.63 3mr2 h VAL 97 N 0.59 0.99 -0.48 2.23 2.07 -0.79 0.38 116.25 121.24 3mr2 h VAL 97 Ca 0.22 -0.29 0.10 0.00 0.82 0.00 0.00 66.70 67.54 3mr2 h VAL 97 Cb 0.06 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 29.81 3mr2 h VAL 97 CO -0.12 0.16 -0.06 -0.33 0.02 0.00 0.00 177.57 177.24 3mr2 h GLU 98 N 0.85 0.06 -0.10 1.57 5.08 -0.86 -0.91 114.58 120.27 3mr2 h GLU 98 Ca 0.36 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.65 3mr2 h GLU 98 Cb 0.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3mr2 h GLU 98 CO -0.19 0.04 -0.19 0.28 -1.00 0.00 0.00 179.01 177.94 3mr2 h VAL 99 N 0.06 1.39 -0.73 3.13 2.07 -1.10 -3.02 116.25 118.04 3mr2 h VAL 99 Ca 0.24 -1.47 0.03 0.00 0.82 0.00 0.00 66.70 66.31 3mr2 h VAL 99 Cb 0.37 2.11 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 3mr2 h VAL 99 CO -0.45 0.42 0.49 0.24 0.02 0.00 0.00 177.57 178.29 3mr2 h MET 100 N -0.14 0.90 -0.23 1.57 2.86 -0.79 -1.85 114.93 117.25 3mr2 h MET 100 Ca 0.00 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 3mr2 h MET 100 Cb 0.77 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 3mr2 h MET 100 CO 0.04 0.59 -0.28 0.93 1.06 0.00 0.00 176.91 179.25 3mr2 h GLU 101 N 0.92 0.46 -0.17 1.72 5.08 -1.19 -1.59 114.58 119.82 3mr2 h GLU 101 Ca 0.29 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3mr2 h GLU 101 Cb 0.00 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3mr2 h GLU 101 CO -0.08 0.70 -0.07 0.82 -1.00 0.00 0.00 179.01 179.38 3mr2 h ILE 102 N 0.40 1.31 -1.00 3.13 2.04 -1.27 -3.10 117.51 119.02 3mr2 h ILE 102 Ca 0.06 -1.11 0.03 0.00 1.00 0.00 0.00 64.86 64.83 3mr2 h ILE 102 Cb 0.70 1.69 -0.06 0.00 -0.74 0.00 0.00 36.82 38.42 3mr2 h ILE 102 CO 0.05 0.33 0.66 0.24 0.00 0.00 0.00 178.15 179.43 3mr2 h MET 103 N 0.03 1.25 0.00 2.37 2.86 -1.20 -2.27 114.93 117.97 3mr2 h MET 103 Ca 0.04 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3mr2 h MET 103 Cb 0.55 -0.28 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 3mr2 h MET 103 CO 0.02 0.83 -0.00 0.77 1.06 0.00 0.00 176.91 179.59 3mr2 h SER 104 N 1.29 0.00 0.20 1.22 0.02 -1.22 -1.30 113.55 113.77 3mr2 h SER 104 Ca 0.39 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.28 3mr2 h SER 104 Cb -0.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3mr2 h SER 104 CO -0.11 0.00 -0.24 0.03 -1.14 0.00 0.00 176.83 175.37 3mr2 h ARG 105 N 0.00 0.07 0.18 3.45 3.08 -1.40 -3.24 114.38 116.52 3mr2 h ARG 105 Ca -0.00 -0.02 -0.35 0.00 0.07 0.00 0.00 59.98 59.68 3mr2 h ARG 105 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3mr2 h ARG 105 CO 0.00 0.32 -1.80 0.74 -1.07 0.00 0.00 179.97 178.16 3mr2 h PHE 106 N 0.07 0.67 -2.64 3.04 -1.00 -1.38 -3.50 116.94 112.21 3mr2 h PHE 106 Ca 0.01 -0.49 0.12 0.00 2.81 0.00 0.00 57.97 60.42 3mr2 h PHE 106 Cb 0.47 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.97 3mr2 h PHE 106 CO 0.00 1.70 0.50 0.00 -1.61 0.00 0.00 178.31 178.90 3mr2 s ALA 107 N -2.58 -1.39 0.15 2.45 0.00 -1.17 -4.93 121.76 114.30 3mr2 s ALA 107 Ca -0.17 -0.40 -0.31 0.00 0.00 0.00 0.00 51.96 51.08 3mr2 s ALA 107 Cb 0.06 0.73 -0.09 0.00 0.00 0.00 0.00 23.12 23.82 3mr2 s ALA 107 CO 0.84 -1.04 1.48 0.08 0.00 0.00 0.00 175.76 177.11 3mr2 s VAL 108 N -2.33 2.93 0.19 0.00 1.01 -1.26 -4.41 120.40 116.54 3mr2 s VAL 108 Ca 0.19 0.68 0.07 0.00 0.00 0.00 0.00 61.98 62.92 3mr2 s VAL 108 Cb -0.03 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 3mr2 s VAL 108 CO 0.07 0.06 -0.14 0.27 0.00 0.00 0.00 175.10 175.35 3mr2 s ILE 109 N 1.03 1.67 -0.29 2.22 -4.36 -1.26 -2.05 121.20 118.15 3mr2 s ILE 109 Ca 0.67 -2.13 0.02 0.00 -0.26 0.00 0.00 60.65 58.94 3mr2 s ILE 109 Cb -0.40 -1.97 0.07 0.00 1.25 0.00 0.00 42.46 41.41 3mr2 s ILE 109 CO 0.32 -0.57 -0.04 -0.70 0.24 0.00 0.00 174.94 174.19 3mr2 s GLU 110 N -3.49 2.13 0.12 0.37 2.12 -0.39 -2.78 118.70 116.79 3mr2 s GLU 110 Ca 0.20 -1.45 -0.31 0.00 0.36 0.00 0.00 54.97 53.77 3mr2 s GLU 110 Cb -0.01 -3.05 -0.10 0.00 0.26 0.00 0.00 34.13 31.22 3mr2 s GLU 110 CO 0.06 -0.68 1.81 0.50 -0.54 0.00 0.00 175.26 176.41 3mr2 s ARG 111 N 1.10 4.14 -0.01 4.30 3.52 -0.15 -1.43 118.95 130.42 3mr2 s ARG 111 Ca -0.04 2.57 0.09 0.00 -0.13 0.00 0.00 55.73 58.22 3mr2 s ARG 111 Cb -0.20 -3.59 -0.13 0.00 -1.56 0.00 0.00 34.95 29.47 3mr2 s ARG 111 CO -0.05 -0.83 0.21 0.00 -0.81 0.00 0.00 175.30 173.82 3mr2 n ALA 112 N 5.66 2.41 -3.85 6.12 0.00 0.13 -4.94 120.51 126.04 3mr2 n ALA 112 Ca 0.17 -0.21 0.04 0.00 0.00 0.00 0.00 53.44 53.45 3mr2 n ALA 112 Cb 0.38 -0.30 0.02 0.00 0.00 0.00 0.00 19.45 19.56 3mr2 n ALA 112 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mr2 n SER 113 N -1.73 -1.99 0.30 0.00 3.41 -0.98 -4.94 113.62 107.69 3mr2 n SER 113 Ca -0.01 -2.21 0.18 0.00 -0.26 0.00 0.00 58.87 56.57 3mr2 n SER 113 Cb 0.22 3.28 0.91 0.00 -0.26 0.00 0.00 64.21 68.35 3mr2 n SER 113 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3mr2 h ILE 114 N 1.99 0.15 0.00 -1.33 2.10 -1.99 -3.22 117.51 115.21 3mr2 h ILE 114 Ca -0.30 -0.32 0.00 0.00 1.08 0.00 0.00 64.86 65.32 3mr2 h ILE 114 Cb 1.22 1.27 0.00 0.00 -1.09 0.00 0.00 36.82 38.22 3mr2 h ILE 114 CO 0.39 0.03 -0.08 -0.90 -1.08 0.00 0.00 178.15 176.51 3mr2 n ASP 115 N -3.23 1.87 -3.63 2.19 3.85 -1.26 -4.61 116.55 111.72 3mr2 n ASP 115 Ca -0.01 -2.73 -0.15 0.00 -0.71 0.00 0.00 54.79 51.19 3mr2 n ASP 115 Cb 0.20 -0.33 -0.07 0.00 -1.35 0.00 0.00 41.12 39.57 3mr2 n ASP 115 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 3mr2 s GLU 116 N -2.12 0.90 -0.01 0.11 -1.05 -1.22 -1.29 118.70 114.02 3mr2 s GLU 116 Ca 0.22 -0.07 -0.07 0.00 -0.15 0.00 0.00 54.97 54.90 3mr2 s GLU 116 Cb 0.19 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.30 3mr2 s GLU 116 CO 0.02 -0.28 0.15 0.00 0.95 0.00 0.00 175.26 176.09 3mr2 s ALA 117 N -1.62 -0.35 0.24 -0.84 0.00 -0.85 -0.69 121.76 117.66 3mr2 s ALA 117 Ca -0.10 -0.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.68 3mr2 s ALA 117 Cb -0.02 0.04 -0.08 0.00 0.00 0.00 0.00 23.12 23.06 3mr2 s ALA 117 CO 0.04 -0.19 0.67 0.71 0.00 0.00 0.00 175.76 177.00 3mr2 s TYR 118 N -1.13 3.51 -0.08 0.00 1.51 -0.51 -1.72 117.35 118.92 3mr2 s TYR 118 Ca -0.12 1.20 0.02 0.00 -1.01 0.00 0.00 57.07 57.16 3mr2 s TYR 118 Cb -0.06 -2.50 0.01 0.00 -0.11 0.00 0.00 41.96 39.30 3mr2 s TYR 118 CO 0.01 0.26 -0.13 0.08 -1.11 0.00 0.00 175.55 174.67 3mr2 s VAL 119 N -1.71 1.23 -0.57 0.71 1.01 0.44 -1.26 120.40 120.25 3mr2 s VAL 119 Ca 0.47 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 3mr2 s VAL 119 Cb -0.13 -1.14 0.09 0.00 0.00 0.00 0.00 36.38 35.20 3mr2 s VAL 119 CO 0.19 0.38 0.69 -0.62 0.00 0.00 0.00 175.10 175.75 3mr2 s ASP 120 N 0.89 6.19 0.00 3.32 -1.08 -0.87 -1.15 116.67 123.98 3mr2 s ASP 120 Ca -0.10 -1.26 0.20 0.00 -0.52 0.00 0.00 52.55 50.87 3mr2 s ASP 120 Cb -0.15 -2.30 0.55 0.00 -1.46 0.00 0.00 42.92 39.56 3mr2 s ASP 120 CO 0.01 -1.06 1.46 0.18 0.52 0.00 0.00 175.17 176.28 3mr2 n LEU 121 N 6.34 3.34 -0.06 -1.34 4.77 0.44 -4.37 117.00 126.11 3mr2 n LEU 121 Ca -0.08 -1.63 -0.08 0.00 -0.03 0.00 0.00 56.01 54.18 3mr2 n LEU 121 Cb 0.43 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 3mr2 n LEU 121 CO 0.57 0.82 0.90 0.74 -1.33 0.00 0.00 177.39 179.09 3mr2 h THR 122 N 3.76 0.90 -0.42 -5.08 2.02 -1.89 0.30 112.91 112.51 3mr2 h THR 122 Ca 0.00 -0.06 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 3mr2 h THR 122 Cb 0.86 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3mr2 h THR 122 CO 0.00 0.03 -0.08 0.28 0.37 0.00 0.00 175.52 176.12 3mr2 h SER 123 N 0.16 0.79 -0.48 4.18 0.02 -1.93 -2.63 113.55 113.67 3mr2 h SER 123 Ca 0.11 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 3mr2 h SER 123 Cb 0.10 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 3mr2 h SER 123 CO -0.14 0.96 0.20 0.00 -1.14 0.00 0.00 176.83 176.71 3mr2 h ALA 124 N 0.86 1.37 -0.47 3.77 0.00 -1.75 -1.54 119.26 121.51 3mr2 h ALA 124 Ca 0.11 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3mr2 h ALA 124 Cb 0.60 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3mr2 h ALA 124 CO 0.04 0.47 -0.23 -0.24 0.00 0.00 0.00 179.25 179.29 3mr2 h VAL 125 N 0.75 1.27 -0.57 0.00 3.04 -0.79 -0.90 116.25 119.04 3mr2 h VAL 125 Ca 0.18 -1.40 0.00 0.00 -1.01 0.00 0.00 66.70 64.48 3mr2 h VAL 125 Cb 0.16 1.15 -0.03 0.00 -2.01 0.00 0.00 31.29 30.56 3mr2 h VAL 125 CO -0.02 0.48 0.38 1.56 -1.01 0.00 0.00 177.57 178.96 3mr2 h GLN 126 N 0.84 0.76 -0.56 4.17 1.08 -1.07 0.91 115.11 121.24 3mr2 h GLN 126 Ca 0.11 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 3mr2 h GLN 126 Cb 0.81 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 28.05 3mr2 h GLN 126 CO 0.07 0.51 0.21 0.93 -0.95 0.00 0.00 178.83 179.59 3mr2 h GLU 127 N 0.78 0.85 -0.48 1.46 3.07 -1.10 -1.83 114.58 117.32 3mr2 h GLU 127 Ca 0.21 -0.16 -0.09 0.00 -0.50 0.00 0.00 59.36 58.82 3mr2 h GLU 127 Cb -0.08 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.68 3mr2 h GLU 127 CO -0.04 0.75 -0.06 -0.09 -1.40 0.00 0.00 179.01 178.17 3mr2 h ARG 128 N 0.77 0.84 -0.65 2.33 9.65 -0.71 -0.80 114.38 125.80 3mr2 h ARG 128 Ca 0.18 -0.26 -0.03 0.00 -1.10 0.00 0.00 59.98 58.78 3mr2 h ARG 128 Cb 0.23 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.70 3mr2 h ARG 128 CO -0.01 0.88 0.29 -0.07 2.80 0.00 0.00 179.97 183.85 3mr2 h LEU 129 N 0.77 0.84 -0.53 3.80 3.38 -0.57 -1.39 115.31 121.61 3mr2 h LEU 129 Ca 0.14 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 3mr2 h LEU 129 Cb 0.54 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3mr2 h LEU 129 CO 0.03 0.73 -0.52 1.56 0.09 0.00 0.00 178.44 180.33 3mr2 h GLN 130 N 0.92 0.58 -0.36 1.13 4.20 -1.03 -3.29 115.11 117.26 3mr2 h GLN 130 Ca 0.22 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3mr2 h GLN 130 Cb 0.13 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3mr2 h GLN 130 CO -0.03 0.96 0.20 0.87 -0.67 0.00 0.00 178.83 180.16 3mr2 h LYS 131 N 0.45 0.50 -4.60 1.46 1.57 -0.11 -3.35 116.57 112.49 3mr2 h LYS 131 Ca 0.01 -0.06 -0.70 0.00 -1.87 0.00 0.00 60.65 58.03 3mr2 h LYS 131 Cb 1.06 -0.10 -0.27 0.00 0.08 0.00 0.00 32.23 33.00 3mr2 h LYS 131 CO 0.10 0.41 -0.55 -0.48 -0.57 0.00 0.00 179.45 178.36 3mr2 s LEU 132 N -10.00 4.63 -0.31 2.94 0.05 -0.73 -5.06 118.68 110.20 3mr2 s LEU 132 Ca -0.13 -1.19 -0.20 0.00 0.05 0.00 0.00 54.13 52.66 3mr2 s LEU 132 Cb 0.10 -1.94 -0.01 0.00 -2.05 0.00 0.00 46.19 42.29 3mr2 s LEU 132 CO 0.73 -0.39 0.60 -1.10 -0.55 0.00 0.00 176.35 175.64 3mr2 s GLN 133 N 1.45 3.85 0.00 1.48 -1.52 -1.26 -4.24 119.66 119.42 3mr2 s GLN 133 Ca 0.01 0.20 0.00 0.00 -1.95 0.00 0.00 55.36 53.62 3mr2 s GLN 133 Cb -0.20 -3.74 0.00 0.00 -0.22 0.00 0.00 33.01 28.85 3mr2 s GLN 133 CO 0.04 -0.58 0.00 0.41 -0.25 0.00 0.00 175.29 174.90 3mr2 n GLY 134 N 4.51 0.36 3.62 3.09 0.00 -1.26 -4.95 105.19 110.57 3mr2 n GLY 134 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3mr2 n GLY 134 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mr2 s GLN 135 N -0.75 3.78 0.63 1.61 2.00 -1.26 -5.00 119.66 120.68 3mr2 s GLN 135 Ca 0.00 1.14 -0.18 0.00 -2.00 0.00 0.00 55.36 54.32 3mr2 s GLN 135 Cb 0.00 -3.94 -0.02 0.00 0.80 0.00 0.00 33.01 29.86 3mr2 s GLN 135 CO 0.00 -1.29 1.20 -1.25 -0.50 0.00 0.00 175.29 173.44 3mr2 s PRO 136 N 4.47 2.77 -0.26 1.67 0.04 -1.26 -4.98 135.00 137.45 3mr2 s PRO 136 Ca 0.58 1.77 -0.16 0.00 0.04 0.00 0.00 61.00 63.23 3mr2 s PRO 136 Cb -0.16 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 3mr2 s PRO 136 CO 0.27 -1.35 0.44 0.42 0.04 0.00 0.00 177.00 176.82 3mr2 s ILE 137 N -1.75 5.13 0.41 0.56 1.01 -1.26 -5.06 121.20 120.24 3mr2 s ILE 137 Ca 0.76 0.72 -0.20 0.00 0.00 0.00 0.00 60.65 61.93 3mr2 s ILE 137 Cb -0.29 -3.76 -0.11 0.00 0.01 0.00 0.00 42.46 38.31 3mr2 s ILE 137 CO 0.37 0.13 0.92 -0.55 0.00 0.00 0.00 174.94 175.81 3mr2 s SER 138 N 1.56 6.92 0.52 3.58 0.15 -1.26 -4.96 113.70 120.21 3mr2 s SER 138 Ca 0.18 1.64 0.20 0.00 0.70 0.00 0.00 55.95 58.67 3mr2 s SER 138 Cb -0.16 -2.52 1.35 0.00 -1.71 0.00 0.00 66.02 62.99 3mr2 s SER 138 CO 0.09 -0.34 2.13 0.00 1.20 0.00 0.00 173.24 176.32 3mr2 h ALA 139 N 1.96 1.74 0.00 5.45 0.00 -1.97 -0.98 119.26 125.46 3mr2 h ALA 139 Ca -0.49 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3mr2 h ALA 139 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3mr2 h ALA 139 CO 0.62 0.07 0.00 -0.44 0.00 0.00 0.00 179.25 179.50 3mr2 h ASP 140 N 0.00 0.00 1.05 0.00 3.32 -2.01 -0.38 116.42 118.40 3mr2 h ASP 140 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mr2 h ASP 140 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3mr2 h ASP 140 CO 0.01 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.71 3mr2 n LEU 141 N -2.96 0.12 -3.11 1.55 4.77 -0.37 -4.12 117.00 112.87 3mr2 n LEU 141 Ca -0.01 0.51 -0.21 0.00 -0.03 0.00 0.00 56.01 56.27 3mr2 n LEU 141 Cb 0.18 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 3mr2 n LEU 141 CO 0.22 -0.04 -0.11 0.18 -1.33 0.00 0.00 177.39 176.32 3mr2 n LEU 142 N -1.61 2.03 0.06 2.23 4.77 -0.15 -4.74 117.00 119.59 3mr2 n LEU 142 Ca 0.07 -5.23 0.10 0.00 -0.03 0.00 0.00 56.01 50.91 3mr2 n LEU 142 Cb 0.35 0.30 0.40 0.00 -2.33 0.00 0.00 43.42 42.14 3mr2 n LEU 142 CO 0.27 2.31 0.80 -0.81 -1.33 0.00 0.00 177.39 178.63 3mr2 n PRO 143 N 0.11 0.10 -0.32 3.23 -0.04 -1.24 -3.18 135.00 133.66 3mr2 n PRO 143 Ca 0.27 0.32 0.04 0.00 -0.04 0.00 0.00 63.50 64.09 3mr2 n PRO 143 Cb 0.57 -1.68 0.05 0.00 -0.04 0.00 0.00 33.50 32.40 3mr2 n PRO 143 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mr2 n SER 144 N -1.86 0.88 -4.77 3.54 3.41 -1.26 -5.07 113.62 108.49 3mr2 n SER 144 Ca 0.03 -2.35 -0.36 0.00 -0.26 0.00 0.00 58.87 55.94 3mr2 n SER 144 Cb 0.21 -0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 63.81 3mr2 n SER 144 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mr2 s THR 145 N -1.04 5.25 -0.10 6.66 2.01 -1.19 -1.10 115.64 126.12 3mr2 s THR 145 Ca 0.11 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.20 3mr2 s THR 145 Cb 0.10 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 3mr2 s THR 145 CO 0.01 0.53 0.05 -0.31 -0.69 0.00 0.00 174.62 174.21 3mr2 s TYR 146 N -0.27 3.32 -0.40 4.92 2.02 0.20 -4.86 117.35 122.28 3mr2 s TYR 146 Ca 0.10 0.30 -0.13 0.00 -0.37 0.00 0.00 57.07 56.97 3mr2 s TYR 146 Cb -0.12 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.61 3mr2 s TYR 146 CO 0.01 0.54 0.26 0.42 -1.57 0.00 0.00 175.55 175.21 3mr2 s ILE 147 N -0.85 4.97 0.22 2.71 -1.09 -1.26 -0.35 121.20 125.55 3mr2 s ILE 147 Ca 0.13 -0.75 -0.32 0.00 -2.23 0.00 0.00 60.65 57.48 3mr2 s ILE 147 Cb -0.12 -3.78 -0.12 0.00 -1.58 0.00 0.00 42.46 36.86 3mr2 s ILE 147 CO 0.03 -0.29 1.66 1.21 -1.23 0.00 0.00 174.94 176.32 3mr2 n GLU 148 N 5.09 2.63 0.00 2.79 4.07 -0.55 -2.22 120.64 132.45 3mr2 n GLU 148 Ca -0.11 0.95 0.00 0.00 -0.06 0.00 0.00 57.16 57.93 3mr2 n GLU 148 Cb 0.47 -2.76 0.00 0.00 -0.06 0.00 0.00 31.44 29.09 3mr2 n GLU 148 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mr2 n GLY 149 N 3.43 2.58 3.54 8.31 0.00 -1.26 -4.80 105.19 116.98 3mr2 n GLY 149 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 3mr2 n GLY 149 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mr2 s LEU 150 N 0.00 2.84 0.77 0.99 1.43 -0.94 -4.38 118.68 119.39 3mr2 s LEU 150 Ca 0.00 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.24 3mr2 s LEU 150 Cb 0.00 -1.46 0.06 0.00 0.03 0.00 0.00 46.19 44.82 3mr2 s LEU 150 CO 0.00 0.07 1.08 -2.16 0.23 0.00 0.00 176.35 175.57 3mr2 s PRO 151 N -3.16 2.28 0.03 1.29 0.04 -1.26 -4.60 135.00 129.62 3mr2 s PRO 151 Ca 0.27 0.94 0.02 0.00 0.04 0.00 0.00 61.00 62.27 3mr2 s PRO 151 Cb -0.07 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 3mr2 s PRO 151 CO 0.15 -1.56 -0.06 -1.14 0.04 0.00 0.00 177.00 174.43 3mr2 s GLN 152 N -5.00 0.45 1.43 4.56 0.74 -1.26 -4.98 119.66 115.59 3mr2 s GLN 152 Ca 0.60 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 55.39 3mr2 s GLN 152 Cb -0.16 -0.23 0.00 0.00 1.10 0.00 0.00 33.01 33.73 3mr2 s GLN 152 CO 0.56 0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.74 3mr2 n GLY 153 N 1.75 -1.67 3.81 2.59 0.00 -1.26 -5.14 105.19 105.27 3mr2 n GLY 153 Ca -0.21 -1.48 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 3mr2 n GLY 153 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mr2 s PRO 154 N 0.00 3.89 -0.02 1.61 0.04 -1.26 -5.24 135.00 134.02 3mr2 s PRO 154 Ca 0.00 1.23 0.20 0.00 0.04 0.00 0.00 61.00 62.47 3mr2 s PRO 154 Cb 0.00 -2.12 -0.28 0.00 0.04 0.00 0.00 34.50 32.15 3mr2 s PRO 154 CO 0.00 -0.34 0.54 0.39 0.04 0.00 0.00 177.00 177.63 3mr2 n GLU 158 N -1.05 0.62 0.29 4.56 -0.58 -1.26 -5.17 120.64 118.06 3mr2 n GLU 158 Ca 0.08 -0.13 0.20 0.00 -0.42 0.00 0.00 57.16 56.89 3mr2 n GLU 158 Cb 0.53 -1.45 1.05 0.00 -0.57 0.00 0.00 31.44 31.00 3mr2 n GLU 158 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 3mr2 h GLU 159 N 0.00 0.00 0.00 3.49 -0.00 -1.95 -0.96 114.58 115.15 3mr2 h GLU 159 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3mr2 h GLU 159 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.52 3mr2 h GLU 159 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 179.01 179.26 3mr2 n THR 160 N -2.86 0.24 0.27 -1.06 -2.24 -1.26 -2.49 114.28 104.88 3mr2 n THR 160 Ca -0.03 0.06 0.15 0.00 -2.27 0.00 0.00 64.05 61.97 3mr2 n THR 160 Cb 0.07 -0.65 0.72 0.00 -2.10 0.00 0.00 70.33 68.36 3mr2 n THR 160 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3mr2 h VAL 161 N 0.00 0.27 -2.62 2.28 -1.51 -1.57 -3.41 116.25 109.69 3mr2 h VAL 161 Ca 0.00 -0.59 -0.58 0.00 -1.23 0.00 0.00 66.70 64.30 3mr2 h VAL 161 Cb 0.26 1.46 -0.09 0.00 -2.13 0.00 0.00 31.29 30.78 3mr2 h VAL 161 CO 0.00 0.08 -0.62 -1.10 -1.23 0.00 0.00 177.57 174.70 3mr2 s GLN 162 N -3.86 2.52 0.16 5.19 -0.21 -1.04 -5.04 119.66 117.38 3mr2 s GLN 162 Ca -0.01 -1.13 -0.10 0.00 0.02 0.00 0.00 55.36 54.14 3mr2 s GLN 162 Cb 0.11 -2.38 0.00 0.00 1.00 0.00 0.00 33.01 31.74 3mr2 s GLN 162 CO 0.56 0.43 1.54 1.57 -2.12 0.00 0.00 175.29 177.27 3mr2 h LYS 163 N 2.33 0.99 -0.22 2.91 -0.00 -1.85 -1.52 116.57 119.20 3mr2 h LYS 163 Ca -0.47 -0.44 -0.07 0.00 -0.00 0.00 0.00 60.65 59.67 3mr2 h LYS 163 Cb 1.22 -0.02 -0.01 0.00 -0.00 0.00 0.00 32.23 33.41 3mr2 h LYS 163 CO 0.60 1.12 -0.16 1.49 -0.00 0.00 0.00 179.45 182.50 3mr2 h GLU 164 N 0.84 0.38 -0.61 0.07 4.57 -1.97 -0.12 114.58 117.74 3mr2 h GLU 164 Ca 0.10 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 3mr2 h GLU 164 Cb 0.84 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.36 3mr2 h GLU 164 CO 0.07 0.53 0.28 0.78 -1.18 0.00 0.00 179.01 179.50 3mr2 h GLY 165 N 0.90 0.96 0.97 1.92 0.00 -1.54 -0.44 103.07 105.84 3mr2 h GLY 165 Ca 0.06 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3mr2 h GLY 165 CO 0.03 0.46 0.22 -0.33 0.00 0.00 0.00 176.54 176.93 3mr2 h MET 166 N 0.84 0.55 -0.10 4.80 2.86 -0.71 -1.59 114.93 121.58 3mr2 h MET 166 Ca 0.21 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3mr2 h MET 166 Cb 0.14 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3mr2 h MET 166 CO -0.02 0.44 -0.00 -0.09 1.06 0.00 0.00 176.91 178.29 3mr2 h ARG 167 N 0.52 0.03 -0.50 1.72 2.43 -0.71 -0.80 114.38 117.06 3mr2 h ARG 167 Ca 0.14 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3mr2 h ARG 167 Cb 0.04 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3mr2 h ARG 167 CO -0.02 0.02 0.21 1.57 -1.51 0.00 0.00 179.97 180.24 3mr2 h LYS 168 N 0.03 0.74 -0.86 0.20 2.10 -1.04 -0.22 116.57 117.52 3mr2 h LYS 168 Ca 0.05 -0.13 -0.01 0.00 -2.00 0.00 0.00 60.65 58.56 3mr2 h LYS 168 Cb 0.06 -0.12 -0.04 0.00 -0.90 0.00 0.00 32.23 31.22 3mr2 h LYS 168 CO -0.08 0.64 0.49 0.37 -2.00 0.00 0.00 179.45 178.87 3mr2 h GLN 169 N 0.66 1.19 -0.63 0.07 4.15 -1.10 0.12 115.11 119.57 3mr2 h GLN 169 Ca 0.17 -0.13 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 3mr2 h GLN 169 Cb 0.17 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 3mr2 h GLN 169 CO -0.02 0.86 0.03 0.78 -1.93 0.00 0.00 178.83 178.55 3mr2 h GLY 170 N 1.19 1.17 0.97 2.39 0.00 -0.78 -1.49 103.07 106.53 3mr2 h GLY 170 Ca 0.30 -0.84 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 3mr2 h GLY 170 CO -0.05 0.77 0.12 -2.00 0.00 0.00 0.00 176.54 175.38 3mr2 h LEU 171 N 1.00 0.73 -0.28 3.11 5.85 -0.65 -1.36 115.31 123.71 3mr2 h LEU 171 Ca 0.18 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3mr2 h LEU 171 Cb 0.53 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3mr2 h LEU 171 CO 0.03 0.77 0.16 -0.26 -0.34 0.00 0.00 178.44 178.80 3mr2 h PHE 172 N 0.66 0.31 -0.74 1.25 0.04 -0.63 0.23 116.94 118.07 3mr2 h PHE 172 Ca 0.15 0.01 0.08 0.00 2.80 0.00 0.00 57.97 61.01 3mr2 h PHE 172 Cb 0.32 -0.10 -0.07 0.00 2.20 0.00 0.00 35.95 38.30 3mr2 h PHE 172 CO 0.02 0.18 0.40 1.96 -0.60 0.00 0.00 178.31 180.28 3mr2 h GLN 173 N 0.34 0.68 -0.08 1.51 4.20 -1.06 0.44 115.11 121.14 3mr2 h GLN 173 Ca 0.11 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3mr2 h GLN 173 Cb -0.00 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 3mr2 h GLN 173 CO -0.05 0.45 0.00 2.35 -0.67 0.00 0.00 178.83 180.91 3mr2 h TRP 174 N 0.70 0.15 -0.24 2.96 2.91 -0.76 -2.24 115.95 119.42 3mr2 h TRP 174 Ca 0.35 -0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.25 3mr2 h TRP 174 Cb 0.30 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.90 3mr2 h TRP 174 CO -0.08 0.39 -0.26 -0.07 -1.03 0.00 0.00 178.44 177.38 3mr2 h LEU 175 N -0.14 0.47 -1.08 0.65 3.38 -0.29 -0.58 115.31 117.73 3mr2 h LEU 175 Ca 0.02 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3mr2 h LEU 175 Cb 0.33 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3mr2 h LEU 175 CO 0.00 0.73 -0.03 0.44 0.09 0.00 0.00 178.44 179.68 3mr2 h ASP 176 N 0.41 0.59 0.35 -0.43 3.32 -0.07 -2.10 116.42 118.49 3mr2 h ASP 176 Ca 0.06 -0.13 -0.21 0.00 0.02 0.00 0.00 57.03 56.77 3mr2 h ASP 176 Cb 0.68 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 3mr2 h ASP 176 CO 0.05 0.68 -0.88 0.28 -1.72 0.00 0.00 179.24 177.65 3mr2 h SER 177 N 0.58 0.48 0.52 6.45 0.02 -0.88 -2.64 113.55 118.08 3mr2 h SER 177 Ca 0.12 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 3mr2 h SER 177 Cb 0.41 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3mr2 h SER 177 CO 0.02 1.15 -0.41 -0.07 -1.14 0.00 0.00 176.83 176.38 3mr2 h LEU 178 N 0.23 -1.07 -1.56 5.07 3.38 -0.72 -1.17 115.31 119.48 3mr2 h LEU 178 Ca -0.06 0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.13 3mr2 h LEU 178 Cb 1.49 0.34 -0.05 0.00 0.09 0.00 0.00 40.66 42.53 3mr2 h LEU 178 CO 0.15 -0.59 0.50 -0.61 0.09 0.00 0.00 178.44 177.98 3mr2 h GLN 179 N -0.91 0.43 0.00 1.13 4.15 -1.44 -0.75 115.11 117.72 3mr2 h GLN 179 Ca -0.06 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.34 3mr2 h GLN 179 Cb 0.77 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.37 3mr2 h GLN 179 CO 0.00 0.29 0.00 1.51 -1.93 0.00 0.00 178.83 178.70 3mr2 n ILE 180 N -4.48 0.48 -1.37 2.39 3.06 -1.00 -4.91 119.36 113.53 3mr2 n ILE 180 Ca 0.14 -0.04 -0.02 0.00 -2.50 0.00 0.00 62.75 60.32 3mr2 n ILE 180 Cb 0.50 -0.70 -0.01 0.00 0.54 0.00 0.00 39.64 39.97 3mr2 n ILE 180 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 3mr2 n ASP 181 N -1.91 -2.78 -1.04 9.51 2.03 -0.29 -4.92 116.55 117.15 3mr2 n ASP 181 Ca 0.05 0.04 0.12 0.00 0.52 0.00 0.00 54.79 55.52 3mr2 n ASP 181 Cb 0.34 -1.02 0.17 0.00 -0.72 0.00 0.00 41.12 39.89 3mr2 n ASP 181 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3mr2 n ASN 182 N 1.58 3.18 -4.19 1.67 3.02 -0.46 -4.88 115.26 115.18 3mr2 n ASN 182 Ca -0.03 -1.98 -0.29 0.00 -0.03 0.00 0.00 54.58 52.26 3mr2 n ASN 182 Cb 0.21 -0.12 -0.16 0.00 -0.61 0.00 0.00 39.78 39.10 3mr2 n ASN 182 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3mr2 s LEU 183 N -1.75 1.98 1.10 3.41 1.43 -1.19 -4.95 118.68 118.71 3mr2 s LEU 183 Ca 0.34 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.86 3mr2 s LEU 183 Cb 0.21 -1.15 0.17 0.00 0.03 0.00 0.00 46.19 45.45 3mr2 s LEU 183 CO 0.31 0.19 0.58 0.35 0.23 0.00 0.00 176.35 178.01 3mr2 n THR 184 N 3.08 0.00 -0.23 5.49 -2.24 -1.26 -4.71 114.28 114.41 3mr2 n THR 184 Ca -0.18 -0.31 -0.05 0.00 -2.27 0.00 0.00 64.05 61.25 3mr2 n THR 184 Cb 0.52 -0.80 0.06 0.00 -2.10 0.00 0.00 70.33 68.01 3mr2 n THR 184 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3mr2 h SER 185 N -2.22 0.69 -0.78 3.42 0.87 -2.00 -1.62 113.55 111.91 3mr2 h SER 185 Ca -0.54 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.04 3mr2 h SER 185 Cb 1.33 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 63.09 3mr2 h SER 185 CO 0.42 0.49 0.51 -0.65 -0.53 0.00 0.00 176.83 177.07 3mr2 h PRO 186 N 0.82 0.96 -0.55 2.24 0.11 -1.92 0.88 132.00 134.55 3mr2 h PRO 186 Ca 0.25 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 3mr2 h PRO 186 Cb -0.03 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 30.84 3mr2 h PRO 186 CO -0.08 0.64 0.17 -0.44 -0.21 0.00 0.00 178.00 178.08 3mr2 h ASP 187 N 0.99 0.79 -0.58 -2.05 3.32 -1.68 -0.60 116.42 116.61 3mr2 h ASP 187 Ca 0.30 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3mr2 h ASP 187 Cb -0.01 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 3mr2 h ASP 187 CO -0.08 0.79 0.32 0.25 -1.72 0.00 0.00 179.24 178.80 3mr2 h LEU 188 N 0.76 0.72 -0.63 1.55 5.85 -0.40 -1.66 115.31 121.49 3mr2 h LEU 188 Ca 0.18 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3mr2 h LEU 188 Cb 0.27 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3mr2 h LEU 188 CO -0.01 0.60 0.41 1.56 -0.34 0.00 0.00 178.44 180.66 3mr2 h GLN 189 N 0.78 0.79 -0.90 1.25 4.20 -0.53 -0.75 115.11 119.95 3mr2 h GLN 189 Ca 0.20 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.90 3mr2 h GLN 189 Cb 0.03 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.58 3mr2 h GLN 189 CO -0.03 0.52 0.58 -0.07 -0.67 0.00 0.00 178.83 179.16 3mr2 h LEU 190 N 0.82 0.98 -0.55 1.46 3.38 -0.92 0.87 115.31 121.35 3mr2 h LEU 190 Ca 0.24 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3mr2 h LEU 190 Cb -0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3mr2 h LEU 190 CO -0.07 0.68 0.24 0.74 0.09 0.00 0.00 178.44 180.11 3mr2 h THR 191 N 1.14 1.21 -0.58 0.22 2.02 -0.62 0.86 112.91 117.16 3mr2 h THR 191 Ca 0.35 -0.63 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 3mr2 h THR 191 Cb -0.02 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 3mr2 h THR 191 CO -0.11 0.25 0.04 0.58 0.37 0.00 0.00 175.52 176.65 3mr2 h VAL 192 N 0.74 1.26 -1.00 3.16 2.07 -0.81 -1.19 116.25 120.48 3mr2 h VAL 192 Ca 0.18 -1.05 0.07 0.00 0.82 0.00 0.00 66.70 66.73 3mr2 h VAL 192 Cb 0.16 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 3mr2 h VAL 192 CO -0.02 0.38 0.64 1.23 0.02 0.00 0.00 177.57 179.82 3mr2 h GLY 193 N 1.01 1.53 1.29 2.17 0.00 -0.51 -1.10 103.07 107.47 3mr2 h GLY 193 Ca 0.17 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 3mr2 h GLY 193 CO 0.02 0.31 0.01 0.00 0.00 0.00 0.00 176.54 176.88 3mr2 h ALA 194 N 1.46 1.05 -0.55 3.60 0.00 -0.24 -0.34 119.26 124.24 3mr2 h ALA 194 Ca 0.44 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3mr2 h ALA 194 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3mr2 h ALA 194 CO -0.18 0.60 0.24 0.28 0.00 0.00 0.00 179.25 180.18 3mr2 h VAL 195 N 0.80 1.21 -0.67 0.00 2.07 -0.39 -0.90 116.25 118.37 3mr2 h VAL 195 Ca 0.15 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 3mr2 h VAL 195 Cb 0.47 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3mr2 h VAL 195 CO 0.02 0.25 0.20 0.40 0.02 0.00 0.00 177.57 178.46 3mr2 h ILE 196 N 0.75 1.25 -0.28 4.57 2.04 -0.85 -2.07 117.51 122.92 3mr2 h ILE 196 Ca 0.19 -0.87 -0.09 0.00 1.00 0.00 0.00 64.86 65.08 3mr2 h ILE 196 Cb 0.16 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3mr2 h ILE 196 CO -0.02 0.34 -0.23 0.58 0.00 0.00 0.00 178.15 178.82 3mr2 h VAL 197 N 1.00 1.26 -0.43 1.67 2.07 -0.78 0.09 116.25 121.14 3mr2 h VAL 197 Ca 0.22 -1.24 0.05 0.00 0.82 0.00 0.00 66.70 66.54 3mr2 h VAL 197 Cb 0.30 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 3mr2 h VAL 197 CO -0.01 0.40 0.16 -0.33 0.02 0.00 0.00 177.57 177.81 3mr2 h GLU 198 N 0.47 0.32 -0.75 1.57 4.39 -0.76 0.30 114.58 120.13 3mr2 h GLU 198 Ca 0.07 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.77 3mr2 h GLU 198 Cb 0.65 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.19 3mr2 h GLU 198 CO 0.05 0.21 0.49 0.93 -1.16 0.00 0.00 179.01 179.53 3mr2 h GLU 199 N 0.33 0.95 -0.11 2.33 5.08 -0.74 0.27 114.58 122.70 3mr2 h GLU 199 Ca 0.20 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3mr2 h GLU 199 Cb 0.17 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3mr2 h GLU 199 CO -0.19 0.63 0.03 1.98 -1.00 0.00 0.00 179.01 180.46 3mr2 h MET 200 N 0.98 0.17 -0.57 2.33 4.05 -0.58 -0.24 114.93 121.09 3mr2 h MET 200 Ca 0.28 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.65 3mr2 h MET 200 Cb -0.08 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.67 3mr2 h MET 200 CO -0.08 0.33 0.29 0.00 0.23 0.00 0.00 176.91 177.69 3mr2 h ARG 201 N -0.01 0.79 -0.64 0.39 3.08 -0.18 -0.91 114.38 116.89 3mr2 h ARG 201 Ca 0.04 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 3mr2 h ARG 201 Cb 0.23 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3mr2 h ARG 201 CO -0.00 0.59 0.24 0.00 -1.07 0.00 0.00 179.97 179.73 3mr2 h ALA 202 N 1.53 0.84 -0.57 0.04 0.00 -0.21 -1.47 119.26 119.42 3mr2 h ALA 202 Ca 0.20 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3mr2 h ALA 202 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3mr2 h ALA 202 CO -0.03 0.48 -0.04 0.00 0.00 0.00 0.00 179.25 179.66 3mr2 h ALA 203 N 1.10 0.84 -0.28 0.00 0.00 -0.50 0.14 119.26 120.57 3mr2 h ALA 203 Ca 0.21 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3mr2 h ALA 203 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3mr2 h ALA 203 CO -0.01 0.66 0.08 0.82 0.00 0.00 0.00 179.25 180.80 3mr2 h ILE 204 N 0.93 1.20 -0.58 0.00 2.04 -0.98 0.42 117.51 120.55 3mr2 h ILE 204 Ca 0.16 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 3mr2 h ILE 204 Cb 0.59 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 3mr2 h ILE 204 CO 0.04 0.22 0.23 -0.08 0.00 0.00 0.00 178.15 178.55 3mr2 h GLU 205 N 0.29 0.87 -0.21 2.37 4.81 -1.07 0.22 114.58 121.85 3mr2 h GLU 205 Ca 0.09 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3mr2 h GLU 205 Cb 0.26 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3mr2 h GLU 205 CO -0.00 0.74 0.13 0.00 -0.73 0.00 0.00 179.01 179.15 3mr2 h ARG 206 N 0.80 0.28 0.00 1.92 3.08 -0.83 0.30 114.38 119.93 3mr2 h ARG 206 Ca 0.19 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3mr2 h ARG 206 Cb 0.20 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3mr2 h ARG 206 CO -0.02 0.21 -0.56 0.39 -1.07 0.00 0.00 179.97 178.93 3mr2 n GLU 207 N -4.93 0.27 0.00 0.04 1.02 0.13 -4.40 120.64 112.77 3mr2 n GLU 207 Ca -0.03 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3mr2 n GLU 207 Cb 0.04 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 3mr2 n GLU 207 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3mr2 n THR 208 N -2.10 0.00 -0.72 2.62 -2.24 0.05 -5.01 114.28 106.89 3mr2 n THR 208 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3mr2 n THR 208 Cb 0.43 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 3mr2 n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mr2 n GLY 209 N 1.71 0.80 3.83 3.38 0.00 0.11 -5.04 105.19 109.98 3mr2 n GLY 209 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3mr2 n GLY 209 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mr2 s PHE 210 N -3.05 3.62 0.20 1.61 2.99 -1.26 -4.98 117.98 117.11 3mr2 s PHE 210 Ca 0.00 0.72 -0.01 0.00 0.00 0.00 0.00 56.93 57.64 3mr2 s PHE 210 Cb 0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 43.02 40.81 3mr2 s PHE 210 CO 0.00 0.59 0.40 -0.65 -0.00 0.00 0.00 175.22 175.56 3mr2 s GLN 211 N -0.70 3.54 0.20 0.44 -0.21 -1.26 -3.34 119.66 118.33 3mr2 s GLN 211 Ca 0.19 -0.29 -0.10 0.00 0.02 0.00 0.00 55.36 55.17 3mr2 s GLN 211 Cb -0.14 -2.83 -0.01 0.00 1.00 0.00 0.00 33.01 31.03 3mr2 s GLN 211 CO 0.08 0.39 0.35 0.00 -2.12 0.00 0.00 175.29 173.99 3mr2 s SER 213 N -3.00 4.29 0.02 0.00 0.01 -0.39 -4.00 113.70 110.63 3mr2 s SER 213 Ca 0.21 -1.02 -0.18 0.00 1.31 0.00 0.00 55.95 56.27 3mr2 s SER 213 Cb 0.02 -0.53 0.03 0.00 0.21 0.00 0.00 66.02 65.75 3mr2 s SER 213 CO 0.04 -0.35 0.40 0.00 0.41 0.00 0.00 173.24 173.74 3mr2 s ALA 214 N -2.55 -0.98 -0.05 1.44 0.00 -1.05 -1.07 121.76 117.51 3mr2 s ALA 214 Ca 0.37 0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.76 3mr2 s ALA 214 Cb 0.02 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 3mr2 s ALA 214 CO 0.21 -0.39 -0.22 0.20 0.00 0.00 0.00 175.76 175.56 3mr2 s GLY 215 N -1.75 1.36 -0.14 0.00 0.00 -0.13 -0.66 107.32 106.00 3mr2 s GLY 215 Ca -0.08 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.62 3mr2 s GLY 215 CO 0.01 -0.74 -0.20 -0.42 0.00 0.00 0.00 173.10 171.75 3mr2 s ILE 216 N -0.41 1.90 0.00 0.90 1.09 -0.36 -0.96 121.20 123.36 3mr2 s ILE 216 Ca 0.04 -0.88 0.00 0.00 -1.10 0.00 0.00 60.65 58.71 3mr2 s ILE 216 Cb -0.12 -1.70 0.00 0.00 -1.06 0.00 0.00 42.46 39.58 3mr2 s ILE 216 CO 0.02 0.52 0.00 -0.24 -0.10 0.00 0.00 174.94 175.13 3mr2 n SER 217 N 4.20 0.00 -0.53 3.58 2.88 -0.20 -1.28 113.62 122.26 3mr2 n SER 217 Ca -0.20 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.45 3mr2 n SER 217 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 3mr2 n SER 217 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3mr2 n HIS 218 N 0.00 0.00 -3.91 0.66 8.25 -1.26 -0.80 115.22 118.15 3mr2 n HIS 218 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 3mr2 n HIS 218 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 3mr2 n HIS 218 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3mr2 s ASN 219 N -2.42 0.02 0.11 0.41 2.20 -1.26 -4.32 114.94 109.68 3mr2 s ASN 219 Ca 0.19 -0.97 -0.14 0.00 -0.94 0.00 0.00 52.86 51.00 3mr2 s ASN 219 Cb 0.18 0.72 -0.07 0.00 -2.00 0.00 0.00 41.25 40.08 3mr2 s ASN 219 CO 0.54 -1.38 1.45 0.11 -2.94 0.00 0.00 177.10 174.88 3mr2 h LYS 220 N 2.08 0.74 -0.40 3.55 1.57 -1.89 -0.69 116.57 121.53 3mr2 h LYS 220 Ca -0.26 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.15 3mr2 h LYS 220 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 3mr2 h LYS 220 CO 0.33 0.99 0.25 0.28 -0.57 0.00 0.00 179.45 180.73 3mr2 h VAL 221 N 0.51 1.12 -0.23 0.50 2.07 -1.96 0.61 116.25 118.87 3mr2 h VAL 221 Ca 0.06 -0.27 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 3mr2 h VAL 221 Cb 0.83 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3mr2 h VAL 221 CO 0.07 0.12 -0.41 -0.07 0.02 0.00 0.00 177.57 177.31 3mr2 h LEU 222 N 0.53 0.58 -0.56 2.57 3.38 -1.93 -1.16 115.31 118.73 3mr2 h LEU 222 Ca 0.15 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3mr2 h LEU 222 Cb -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3mr2 h LEU 222 CO -0.03 0.92 0.12 0.00 0.09 0.00 0.00 178.44 179.54 3mr2 h ALA 223 N 1.10 0.74 -0.43 1.53 0.00 -0.85 -0.19 119.26 121.16 3mr2 h ALA 223 Ca 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3mr2 h ALA 223 Cb 0.90 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3mr2 h ALA 223 CO 0.08 0.46 0.20 -0.22 0.00 0.00 0.00 179.25 179.76 3mr2 h LYS 224 N 0.81 0.63 -0.56 0.00 3.64 -0.73 -1.74 116.57 118.62 3mr2 h LYS 224 Ca 0.17 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3mr2 h LYS 224 Cb 0.37 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 3mr2 h LYS 224 CO 0.01 0.56 0.33 1.25 -2.27 0.00 0.00 179.45 179.32 3mr2 h LEU 225 N 0.56 0.69 -1.30 5.20 5.85 -1.08 -2.70 115.31 122.53 3mr2 h LEU 225 Ca 0.15 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3mr2 h LEU 225 Cb 0.14 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3mr2 h LEU 225 CO -0.02 0.56 0.33 0.00 -0.34 0.00 0.00 178.44 178.98 3mr2 h ALA 226 N 1.15 1.47 -1.00 1.25 0.00 -0.85 -2.58 119.26 118.70 3mr2 h ALA 226 Ca 0.20 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.10 3mr2 h ALA 226 Cb 0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.49 3mr2 h ALA 226 CO -0.04 0.45 0.64 0.00 0.00 0.00 0.00 179.25 180.30 3mr2 n GLY 228 N -1.36 -1.23 0.19 0.00 0.00 -0.98 -3.94 105.19 97.87 3mr2 n GLY 228 Ca 0.16 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 46.02 3mr2 n GLY 228 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mr2 h LEU 229 N 0.19 0.00 -2.95 0.99 3.38 -1.33 -3.28 115.31 112.31 3mr2 h LEU 229 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3mr2 h LEU 229 Cb 0.40 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.85 3mr2 h LEU 229 CO 0.00 0.38 -0.91 0.59 0.09 0.00 0.00 178.44 178.59 3mr2 n ASN 230 N -3.89 1.08 -4.75 -0.43 3.02 -1.25 -5.08 115.26 103.95 3mr2 n ASN 230 Ca -0.01 -2.33 -0.38 0.00 -0.03 0.00 0.00 54.58 51.83 3mr2 n ASN 230 Cb 0.44 -0.33 0.03 0.00 -0.61 0.00 0.00 39.78 39.30 3mr2 n ASN 230 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3mr2 s LYS 231 N -0.58 3.20 0.43 3.52 2.20 -1.24 -4.12 119.74 123.16 3mr2 s LYS 231 Ca 0.33 2.05 0.07 0.00 -0.36 0.00 0.00 55.97 58.06 3mr2 s LYS 231 Cb 0.36 -2.21 0.01 0.00 -1.51 0.00 0.00 37.83 34.49 3mr2 s LYS 231 CO -0.14 -1.08 0.59 -1.25 -0.36 0.00 0.00 175.35 173.11 3mr2 s PRO 232 N -2.96 2.82 -1.39 4.03 0.04 -1.26 -4.97 135.00 131.30 3mr2 s PRO 232 Ca 0.72 -1.15 -0.10 0.00 0.04 0.00 0.00 61.00 60.50 3mr2 s PRO 232 Cb -0.36 -2.73 0.08 0.00 0.04 0.00 0.00 34.50 31.53 3mr2 s PRO 232 CO 0.42 -0.30 0.60 -1.71 0.04 0.00 0.00 177.00 176.05 3mr2 n ASN 233 N -1.90 -4.11 -4.05 6.66 5.15 -1.26 -4.98 115.26 110.77 3mr2 n ASN 233 Ca 0.07 -0.49 -0.08 0.00 -0.60 0.00 0.00 54.58 53.49 3mr2 n ASN 233 Cb 0.59 -3.36 -0.10 0.00 -0.53 0.00 0.00 39.78 36.38 3mr2 n ASN 233 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3mr2 s ARG 234 N -6.15 0.58 0.10 1.20 1.81 -1.26 -4.97 118.95 110.26 3mr2 s ARG 234 Ca 0.46 -1.08 0.10 0.00 -1.72 0.00 0.00 55.73 53.49 3mr2 s ARG 234 Cb -0.24 0.20 -0.04 0.00 -0.45 0.00 0.00 34.95 34.43 3mr2 s ARG 234 CO 0.57 -0.11 -0.25 1.14 -0.68 0.00 0.00 175.30 175.96 3mr2 s GLN 235 N -3.46 1.45 -0.07 3.54 -2.07 -0.26 -2.52 119.66 116.26 3mr2 s GLN 235 Ca 0.03 -1.23 0.03 0.00 -1.82 0.00 0.00 55.36 52.37 3mr2 s GLN 235 Cb 0.05 -1.80 0.01 0.00 -1.09 0.00 0.00 33.01 30.17 3mr2 s GLN 235 CO -0.08 0.44 -0.15 0.99 -1.32 0.00 0.00 175.29 175.16 3mr2 s THR 236 N -0.99 1.38 -0.28 3.63 2.01 0.17 -0.63 115.64 120.92 3mr2 s THR 236 Ca 0.12 -0.62 -0.14 0.00 0.31 0.00 0.00 61.69 61.35 3mr2 s THR 236 Cb -0.10 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 3mr2 s THR 236 CO 0.04 0.41 0.34 -0.22 -0.69 0.00 0.00 174.62 174.50 3mr2 s LEU 237 N 0.56 4.09 -0.39 4.42 0.20 0.53 -1.23 118.68 126.86 3mr2 s LEU 237 Ca -0.15 0.17 -0.07 0.00 0.69 0.00 0.00 54.13 54.77 3mr2 s LEU 237 Cb -0.16 -2.36 0.07 0.00 -0.43 0.00 0.00 46.19 43.31 3mr2 s LEU 237 CO 0.05 -0.18 0.19 -0.69 -0.29 0.00 0.00 176.35 175.43 3mr2 s VAL 238 N 2.01 3.81 0.64 1.68 1.01 -0.41 -1.48 120.40 127.67 3mr2 s VAL 238 Ca 0.13 -1.48 -0.07 0.00 0.00 0.00 0.00 61.98 60.56 3mr2 s VAL 238 Cb -0.16 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 32.90 3mr2 s VAL 238 CO 0.10 -0.44 0.97 -0.94 0.00 0.00 0.00 175.10 174.80 3mr2 s SER 239 N 1.83 5.37 0.28 3.32 1.04 -1.26 -4.46 113.70 119.82 3mr2 s SER 239 Ca 0.02 0.75 -0.03 0.00 0.48 0.00 0.00 55.95 57.17 3mr2 s SER 239 Cb -0.22 -1.61 0.40 0.00 0.10 0.00 0.00 66.02 64.68 3mr2 s SER 239 CO 0.01 -1.26 1.95 -0.74 0.98 0.00 0.00 173.24 174.18 3mr2 h HIS 240 N -0.39 1.11 0.00 5.02 2.76 -1.96 -2.03 115.15 119.66 3mr2 h HIS 240 Ca -0.45 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 57.71 3mr2 h HIS 240 Cb 1.27 -0.37 -0.00 0.00 1.55 0.00 0.00 27.41 29.85 3mr2 h HIS 240 CO 0.44 0.69 -0.16 0.78 -1.30 0.00 0.00 177.93 178.38 3mr2 h GLY 241 N 1.19 0.00 2.00 5.26 0.00 -1.99 -2.35 103.07 107.17 3mr2 h GLY 241 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3mr2 h GLY 241 CO -0.08 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.32 3mr2 n SER 242 N -3.66 0.28 -0.09 0.19 3.41 -0.76 -4.23 113.62 108.76 3mr2 n SER 242 Ca -0.02 0.54 -0.13 0.00 -0.26 0.00 0.00 58.87 59.01 3mr2 n SER 242 Cb 0.28 -0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 63.58 3mr2 n SER 242 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3mr2 h VAL 243 N 0.00 1.30 -0.45 -3.33 2.07 -1.46 -1.97 116.25 112.41 3mr2 h VAL 243 Ca 0.00 -1.32 0.04 0.00 0.82 0.00 0.00 66.70 66.24 3mr2 h VAL 243 Cb 0.50 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 3mr2 h VAL 243 CO 0.00 0.42 0.21 -0.65 0.02 0.00 0.00 177.57 177.57 3mr2 h PRO 244 N 0.33 0.41 -0.26 1.57 0.11 -1.79 0.20 132.00 132.58 3mr2 h PRO 244 Ca 0.05 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.06 3mr2 h PRO 244 Cb 0.73 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3mr2 h PRO 244 CO 0.05 0.27 -0.14 1.96 -0.21 0.00 0.00 178.00 179.93 3mr2 h GLN 245 N 0.43 0.55 -0.76 1.05 1.08 -1.82 -1.84 115.11 113.79 3mr2 h GLN 245 Ca 0.20 -0.25 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3mr2 h GLN 245 Cb 0.12 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.50 3mr2 h GLN 245 CO -0.15 0.81 0.50 1.25 -0.95 0.00 0.00 178.83 180.30 3mr2 h LEU 246 N 0.27 0.88 -0.09 1.46 5.85 -0.90 -2.59 115.31 120.20 3mr2 h LEU 246 Ca 0.06 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3mr2 h LEU 246 Cb 0.66 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3mr2 h LEU 246 CO 0.04 0.64 0.00 -0.26 -0.34 0.00 0.00 178.44 178.52 3mr2 h PHE 247 N 1.03 0.00 -0.21 1.25 0.05 -0.56 -3.26 116.94 115.25 3mr2 h PHE 247 Ca 0.28 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 62.04 3mr2 h PHE 247 Cb -0.12 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.82 3mr2 h PHE 247 CO -0.02 0.00 0.01 0.66 -0.18 0.00 0.00 178.31 178.78 3mr2 h SER 248 N 0.00 0.27 0.00 2.17 4.64 -0.91 -0.27 113.55 119.45 3mr2 h SER 248 Ca 0.00 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 3mr2 h SER 248 Cb 0.74 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 3mr2 h SER 248 CO 0.00 0.32 -0.19 0.00 -0.87 0.00 0.00 176.83 176.09 3mr2 n GLN 249 N -4.38 1.18 -3.22 4.77 6.02 -1.24 -4.77 117.38 115.75 3mr2 n GLN 249 Ca 0.00 -2.57 -0.41 0.00 -0.01 0.00 0.00 57.00 54.01 3mr2 n GLN 249 Cb 0.18 -1.38 -0.08 0.00 1.02 0.00 0.00 30.24 29.98 3mr2 n GLN 249 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3mr2 s MET 250 N -2.59 3.67 0.33 -1.09 1.75 -1.12 -4.99 119.30 115.25 3mr2 s MET 250 Ca 0.30 -0.09 -0.29 0.00 -1.25 0.00 0.00 55.69 54.36 3mr2 s MET 250 Cb 0.28 -3.80 -0.12 0.00 2.84 0.00 0.00 34.83 34.03 3mr2 s MET 250 CO -0.00 -0.63 1.42 -2.30 -0.65 0.00 0.00 175.02 172.86 3mr2 n PRO 251 N 5.77 2.39 -0.28 4.11 -0.02 -1.26 -0.40 135.00 145.31 3mr2 n PRO 251 Ca -0.04 0.84 0.14 0.00 -2.02 0.00 0.00 63.50 62.41 3mr2 n PRO 251 Cb 0.49 -2.52 0.40 0.00 -0.02 0.00 0.00 33.50 31.85 3mr2 n PRO 251 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3mr2 h ILE 252 N 2.89 0.78 0.00 4.25 2.04 -1.72 -1.71 117.51 124.04 3mr2 h ILE 252 Ca -0.47 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3mr2 h ILE 252 Cb 1.26 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3mr2 h ILE 252 CO 0.68 0.12 0.00 -2.11 0.00 0.00 0.00 178.15 176.84 3mr2 n ARG 253 N -4.58 0.08 0.04 2.37 1.85 -1.26 -2.05 116.66 113.11 3mr2 n ARG 253 Ca 0.19 0.38 0.13 0.00 -1.00 0.00 0.00 57.85 57.55 3mr2 n ARG 253 Cb 0.53 -1.68 0.46 0.00 -1.05 0.00 0.00 32.46 30.73 3mr2 n ARG 253 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3mr2 n LYS 254 N -1.84 0.11 -3.24 2.89 4.76 -0.64 -3.89 118.16 116.31 3mr2 n LYS 254 Ca 0.02 0.07 -0.39 0.00 -2.87 0.00 0.00 58.31 55.15 3mr2 n LYS 254 Cb 0.16 -1.61 -0.06 0.00 -1.84 0.00 0.00 35.03 31.68 3mr2 n LYS 254 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3mr2 s ILE 255 N -3.05 4.82 0.05 -0.18 1.09 -0.87 -4.94 121.20 118.12 3mr2 s ILE 255 Ca 0.12 1.24 -0.35 0.00 -1.10 0.00 0.00 60.65 60.55 3mr2 s ILE 255 Cb 0.16 -3.92 -0.14 0.00 -1.06 0.00 0.00 42.46 37.50 3mr2 s ILE 255 CO 0.59 0.49 1.60 -1.14 -0.10 0.00 0.00 174.94 176.38 3mr2 n ARG 256 N 2.22 1.85 -0.50 2.79 0.00 -1.26 -0.68 116.66 121.07 3mr2 n ARG 256 Ca -0.09 0.67 0.00 0.00 -0.00 0.00 0.00 57.85 58.43 3mr2 n ARG 256 Cb 0.51 -2.42 0.00 0.00 0.00 0.00 0.00 32.46 30.55 3mr2 n ARG 256 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3mr2 n SER 257 N 4.08 0.00 -0.95 6.15 3.41 -1.26 -4.89 113.62 120.17 3mr2 n SER 257 Ca 0.19 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.88 3mr2 n SER 257 Cb 0.25 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.44 3mr2 n SER 257 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mr2 n LEU 258 N 0.00 3.58 -0.14 1.04 4.77 0.14 -4.53 117.00 121.87 3mr2 n LEU 258 Ca 0.00 -2.30 0.15 0.00 -0.03 0.00 0.00 56.01 53.84 3mr2 n LEU 258 Cb 0.00 -0.39 0.79 0.00 -2.33 0.00 0.00 43.42 41.50 3mr2 n LEU 258 CO 0.00 0.76 1.02 0.61 -1.33 0.00 0.00 177.39 178.45 3mr2 n GLY 259 N 0.54 -0.75 0.00 -0.72 0.00 -1.25 -3.61 105.19 99.40 3mr2 n GLY 259 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3mr2 n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mr2 n GLY 260 N 1.09 4.91 0.31 -0.02 0.00 -1.26 -4.95 105.19 105.27 3mr2 n GLY 260 Ca 0.21 -1.65 -0.04 0.00 0.00 0.00 0.00 46.02 44.54 3mr2 n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mr2 h LYS 261 N 0.00 1.07 -0.56 1.61 1.57 -1.93 -1.69 116.57 116.63 3mr2 h LYS 261 Ca 0.00 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3mr2 h LYS 261 Cb 0.00 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 3mr2 h LYS 261 CO 0.00 0.71 0.26 1.25 -0.57 0.00 0.00 179.45 181.10 3mr2 h LEU 262 N 1.10 0.75 -0.70 2.94 5.85 -1.89 -0.43 115.31 122.92 3mr2 h LEU 262 Ca 0.30 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3mr2 h LEU 262 Cb -0.12 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 3mr2 h LEU 262 CO -0.07 0.67 0.36 1.23 -0.34 0.00 0.00 178.44 180.30 3mr2 h GLY 263 N 0.76 1.07 1.02 3.75 0.00 -1.55 0.43 103.07 108.56 3mr2 h GLY 263 Ca 0.19 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3mr2 h GLY 263 CO -0.02 0.49 0.54 0.00 0.00 0.00 0.00 176.54 177.55 3mr2 h ALA 264 N 1.18 1.16 -0.38 3.60 0.00 -1.02 -2.05 119.26 121.75 3mr2 h ALA 264 Ca 0.24 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3mr2 h ALA 264 Cb 0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3mr2 h ALA 264 CO -0.03 0.63 0.11 0.66 0.00 0.00 0.00 179.25 180.61 3mr2 h SER 265 N 1.26 0.57 -0.47 0.00 4.64 -0.47 0.19 113.55 119.26 3mr2 h SER 265 Ca 0.33 -0.22 0.07 0.00 -0.47 0.00 0.00 61.79 61.50 3mr2 h SER 265 Cb -0.04 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 61.84 3mr2 h SER 265 CO -0.06 0.64 0.12 0.58 -0.87 0.00 0.00 176.83 177.24 3mr2 h VAL 266 N 0.47 0.78 -0.42 0.95 2.07 -0.55 0.39 116.25 119.94 3mr2 h VAL 266 Ca 0.12 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 3mr2 h VAL 266 Cb 0.28 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3mr2 h VAL 266 CO -0.00 0.05 0.12 0.40 0.02 0.00 0.00 177.57 178.16 3mr2 h ILE 267 N 0.27 1.23 -0.03 4.57 2.04 -1.14 -1.89 117.51 122.55 3mr2 h ILE 267 Ca 0.23 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 3mr2 h ILE 267 Cb 0.28 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3mr2 h ILE 267 CO -0.28 0.27 -0.05 -0.08 0.00 0.00 0.00 178.15 178.01 3mr2 h GLU 268 N 0.55 0.10 -0.12 2.37 4.81 -0.65 0.51 114.58 122.14 3mr2 h GLU 268 Ca 0.13 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 59.10 3mr2 h GLU 268 Cb 0.29 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3mr2 h GLU 268 CO -0.00 0.61 -0.77 0.82 -0.73 0.00 0.00 179.01 178.93 3mr2 h ILE 269 N -0.41 1.32 0.00 2.32 2.04 -0.26 -3.26 117.51 119.26 3mr2 h ILE 269 Ca 0.00 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.81 3mr2 h ILE 269 Cb 0.60 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 3mr2 h ILE 269 CO 0.01 0.64 -0.89 0.18 0.00 0.00 0.00 178.15 178.09 3mr2 n LEU 270 N -3.89 0.63 -2.16 1.44 4.77 -0.71 -4.97 117.00 112.10 3mr2 n LEU 270 Ca -0.06 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.80 3mr2 n LEU 270 Cb 0.74 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.74 3mr2 n LEU 270 CO 0.51 0.04 0.12 0.61 -1.33 0.00 0.00 177.39 177.34 3mr2 n GLY 271 N 1.38 0.11 3.43 -0.72 0.00 0.16 -5.04 105.19 104.50 3mr2 n GLY 271 Ca 0.03 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 3mr2 n GLY 271 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mr2 s ILE 272 N -3.14 1.48 0.00 -0.61 -4.36 -1.13 -5.07 121.20 108.38 3mr2 s ILE 272 Ca 0.31 -2.08 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 3mr2 s ILE 272 Cb -0.13 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.05 3mr2 s ILE 272 CO 0.38 -0.23 0.00 -0.62 0.24 0.00 0.00 174.94 174.71 3mr2 n GLU 273 N -0.60 2.75 -4.27 0.37 1.02 -1.26 -4.49 120.64 114.16 3mr2 n GLU 273 Ca -0.05 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.81 3mr2 n GLU 273 Cb 0.64 -0.96 -0.10 0.00 -0.02 0.00 0.00 31.44 31.01 3mr2 n GLU 273 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3mr2 s TYR 274 N -1.90 2.66 0.33 -0.32 4.12 -1.26 -2.04 117.35 118.95 3mr2 s TYR 274 Ca 0.00 -0.20 0.01 0.00 0.02 0.00 0.00 57.07 56.90 3mr2 s TYR 274 Cb 0.00 -1.34 0.57 0.00 -1.52 0.00 0.00 41.96 39.67 3mr2 s TYR 274 CO 0.00 0.47 1.97 1.98 0.02 0.00 0.00 175.55 179.99 3mr2 h MET 275 N 3.22 0.93 0.00 -0.62 1.85 -0.74 -1.78 114.93 117.78 3mr2 h MET 275 Ca -0.48 -0.06 -0.04 0.00 -0.61 0.00 0.00 59.70 58.52 3mr2 h MET 275 Cb 1.19 -0.21 -0.01 0.00 0.43 0.00 0.00 31.60 33.00 3mr2 h MET 275 CO 0.53 0.62 -0.17 0.78 -0.40 0.00 0.00 176.91 178.26 3mr2 h GLY 276 N 0.96 0.00 2.00 1.39 0.00 -1.31 -1.96 103.07 104.15 3mr2 h GLY 276 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3mr2 h GLY 276 CO -0.08 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.29 3mr2 h GLU 277 N 0.00 0.00 0.00 4.80 5.08 -1.59 -1.77 114.58 121.10 3mr2 h GLU 277 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mr2 h GLU 277 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3mr2 h GLU 277 CO 0.02 0.00 0.00 -0.07 -1.00 0.00 0.00 179.01 177.96 3mr2 h LEU 278 N 0.00 0.00 -1.10 1.33 3.38 -1.48 -3.00 115.31 114.44 3mr2 h LEU 278 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mr2 h LEU 278 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3mr2 h LEU 278 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 178.44 179.24 3mr2 h THR 279 N 0.00 0.00 -0.05 0.22 1.35 -1.53 -2.70 112.91 110.20 3mr2 h THR 279 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3mr2 h THR 279 Cb 0.28 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 3mr2 h THR 279 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3mr2 n GLN 280 N -2.44 1.40 -4.05 4.72 10.64 -1.13 -4.83 117.38 121.69 3mr2 n GLN 280 Ca 0.01 -0.59 -0.31 0.00 -1.83 0.00 0.00 57.00 54.29 3mr2 n GLN 280 Cb 0.20 -1.42 -0.06 0.00 -0.86 0.00 0.00 30.24 28.10 3mr2 n GLN 280 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3mr2 s PHE 281 N -1.94 3.21 0.60 2.61 0.08 -1.02 -5.11 117.98 116.42 3mr2 s PHE 281 Ca 0.36 0.09 -0.12 0.00 0.12 0.00 0.00 56.93 57.39 3mr2 s PHE 281 Cb 0.18 -1.63 -0.05 0.00 -0.57 0.00 0.00 43.02 40.96 3mr2 s PHE 281 CO 0.29 0.53 1.02 0.95 -0.10 0.00 0.00 175.22 177.91 3mr2 s THR 282 N -1.38 4.67 0.24 0.64 -4.23 -1.26 -4.92 115.64 109.41 3mr2 s THR 282 Ca 0.29 0.93 -0.06 0.00 -1.18 0.00 0.00 61.69 61.67 3mr2 s THR 282 Cb -0.12 -3.84 0.23 0.00 1.34 0.00 0.00 72.50 70.11 3mr2 s THR 282 CO 0.22 -1.07 1.89 -0.08 -0.54 0.00 0.00 174.62 175.03 3mr2 h GLU 283 N -0.14 1.13 -0.82 3.99 4.81 -1.98 -2.06 114.58 119.51 3mr2 h GLU 283 Ca -0.44 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 3mr2 h GLU 283 Cb 1.19 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 3mr2 h GLU 283 CO 0.62 0.75 0.46 0.77 -0.73 0.00 0.00 179.01 180.88 3mr2 h SER 284 N 1.16 1.01 -0.53 1.04 0.02 -1.94 0.92 113.55 115.23 3mr2 h SER 284 Ca 0.37 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3mr2 h SER 284 Cb 0.01 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 3mr2 h SER 284 CO -0.12 0.80 0.32 1.56 -1.14 0.00 0.00 176.83 178.25 3mr2 h GLN 285 N 1.13 0.73 -0.55 3.45 4.20 -1.79 0.40 115.11 122.68 3mr2 h GLN 285 Ca 0.29 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.82 3mr2 h GLN 285 Cb 0.01 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3mr2 h GLN 285 CO -0.05 0.53 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.50 3mr2 h LEU 286 N 0.71 1.01 -1.28 1.46 3.38 -0.99 -2.15 115.31 117.46 3mr2 h LEU 286 Ca 0.19 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3mr2 h LEU 286 Cb -0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3mr2 h LEU 286 CO -0.03 1.11 0.27 1.56 0.09 0.00 0.00 178.44 181.43 3mr2 h GLN 287 N 0.91 0.77 -0.39 1.13 4.20 -0.57 -0.60 115.11 120.56 3mr2 h GLN 287 Ca 0.15 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 3mr2 h GLN 287 Cb 0.64 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3mr2 h GLN 287 CO 0.04 0.59 -0.12 0.66 -0.67 0.00 0.00 178.83 179.34 3mr2 h SER 288 N 0.77 0.67 0.24 1.46 4.64 -0.29 0.19 113.55 121.23 3mr2 h SER 288 Ca 0.19 -0.19 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3mr2 h SER 288 Cb 0.07 -0.18 0.03 0.00 -0.31 0.00 0.00 62.40 62.01 3mr2 h SER 288 CO -0.03 0.82 -1.60 0.45 -0.87 0.00 0.00 176.83 175.60 3mr2 h HIS 289 N 0.62 0.86 -0.03 4.77 3.86 -1.02 -3.39 115.15 120.82 3mr2 h HIS 289 Ca 0.11 -0.63 0.00 0.00 -1.16 0.00 0.00 60.37 58.69 3mr2 h HIS 289 Cb 0.56 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.00 3mr2 h HIS 289 CO 0.03 1.61 0.00 1.19 0.86 0.00 0.00 177.93 181.62 3mr2 n PHE 290 N -3.66 0.04 0.00 2.45 3.72 -0.27 -5.10 117.46 114.64 3mr2 n PHE 290 Ca -0.20 -0.49 0.00 0.00 -0.05 0.00 0.00 57.45 56.70 3mr2 n PHE 290 Cb 1.09 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 3mr2 n PHE 290 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mr2 n GLY 291 N -0.41 1.18 0.12 1.37 0.00 0.66 -4.23 105.19 103.88 3mr2 n GLY 291 Ca 0.01 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 3mr2 n GLY 291 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3mr2 h GLU 292 N 0.00 -0.19 -0.02 1.61 4.81 -1.92 0.14 114.58 119.00 3mr2 h GLU 292 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3mr2 h GLU 292 Cb 0.00 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3mr2 h GLU 292 CO 0.00 -0.08 -0.02 -0.22 -0.73 0.00 0.00 179.01 177.96 3mr2 h LYS 293 N -0.26 0.05 -0.69 1.92 3.64 -1.94 -2.41 116.57 116.88 3mr2 h LYS 293 Ca -0.02 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 3mr2 h LYS 293 Cb 0.20 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 3mr2 h LYS 293 CO 0.03 0.51 0.19 -0.91 -2.27 0.00 0.00 179.45 177.01 3mr2 h ASN 294 N -0.40 1.03 -0.23 4.20 2.35 -1.73 -1.11 115.58 119.68 3mr2 h ASN 294 Ca 0.00 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.53 3mr2 h ASN 294 Cb 0.50 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3mr2 h ASN 294 CO 0.00 0.98 0.12 1.23 -1.65 0.00 0.00 177.43 178.11 3mr2 h GLY 295 N 1.03 0.36 1.00 2.83 0.00 -0.73 -0.21 103.07 107.34 3mr2 h GLY 295 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 3mr2 h GLY 295 CO -0.00 0.17 0.38 1.76 0.00 0.00 0.00 176.54 178.84 3mr2 h SER 296 N 0.25 0.82 -0.47 0.19 0.02 -1.36 -1.05 113.55 111.95 3mr2 h SER 296 Ca 0.08 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3mr2 h SER 296 Cb 0.11 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3mr2 h SER 296 CO -0.01 0.67 0.28 -0.25 -1.14 0.00 0.00 176.83 176.37 3mr2 h TRP 297 N 0.91 0.62 -0.64 3.45 7.01 -0.86 -2.14 115.95 124.29 3mr2 h TRP 297 Ca 0.24 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.19 3mr2 h TRP 297 Cb 0.02 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 26.85 3mr2 h TRP 297 CO -0.01 0.44 0.24 -0.07 -2.79 0.00 0.00 178.44 176.25 3mr2 h LEU 298 N 0.62 0.90 -0.63 0.65 3.38 -0.90 0.33 115.31 119.65 3mr2 h LEU 298 Ca 0.17 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3mr2 h LEU 298 Cb 0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3mr2 h LEU 298 CO -0.03 0.84 0.34 0.22 0.09 0.00 0.00 178.44 179.89 3mr2 h TYR 299 N 0.91 0.87 -0.05 1.13 3.20 -0.91 -1.13 116.97 120.99 3mr2 h TYR 299 Ca 0.21 -0.03 -0.23 0.00 3.14 0.00 0.00 58.73 61.82 3mr2 h TYR 299 Cb 0.23 -0.28 0.01 0.00 1.54 0.00 0.00 36.73 38.23 3mr2 h TYR 299 CO 0.01 0.64 -0.90 0.00 -1.64 0.00 0.00 178.16 176.27 3mr2 h ALA 300 N 1.16 0.31 -0.46 1.82 0.00 -1.21 -3.35 119.26 117.53 3mr2 h ALA 300 Ca 0.22 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 3mr2 h ALA 300 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3mr2 h ALA 300 CO -0.03 0.73 -0.24 1.98 0.00 0.00 0.00 179.25 181.69 3mr2 h MET 301 N 0.37 0.95 0.00 0.00 1.85 0.07 -0.26 114.93 117.92 3mr2 h MET 301 Ca -0.08 -0.42 0.00 0.00 -0.61 0.00 0.00 59.70 58.59 3mr2 h MET 301 Cb 1.53 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.54 3mr2 h MET 301 CO 0.17 1.08 0.00 0.00 -0.40 0.00 0.00 176.91 177.76 3mr2 n ARG 303 N -1.78 2.46 -0.67 0.00 1.74 -0.73 -4.77 116.66 112.91 3mr2 n ARG 303 Ca 0.02 -2.21 0.00 0.00 -0.77 0.00 0.00 57.85 54.89 3mr2 n ARG 303 Cb 0.12 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 3mr2 n ARG 303 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mr2 n GLY 304 N 1.49 0.62 3.30 -0.13 0.00 0.09 -4.99 105.19 105.56 3mr2 n GLY 304 Ca 0.19 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 3mr2 n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mr2 s ILE 305 N -2.00 2.46 -0.16 -0.61 1.01 -0.19 -4.90 121.20 116.81 3mr2 s ILE 305 Ca 0.00 -0.89 -0.18 0.00 0.00 0.00 0.00 60.65 59.58 3mr2 s ILE 305 Cb 0.00 -1.97 0.05 0.00 0.01 0.00 0.00 42.46 40.55 3mr2 s ILE 305 CO 0.00 0.55 0.49 -0.70 0.00 0.00 0.00 174.94 175.29 3mr2 s GLU 306 N 0.14 0.62 0.00 2.79 2.12 -1.26 -2.32 118.70 120.79 3mr2 s GLU 306 Ca -0.10 0.58 0.02 0.00 0.36 0.00 0.00 54.97 55.82 3mr2 s GLU 306 Cb -0.16 0.30 0.05 0.00 0.26 0.00 0.00 34.13 34.58 3mr2 s GLU 306 CO 0.06 -0.10 0.90 0.72 -0.54 0.00 0.00 175.26 176.30 3mr2 n HIS 307 N 2.53 0.06 -1.67 5.30 8.25 -1.26 -4.81 115.22 123.61 3mr2 n HIS 307 Ca -0.15 -0.35 -0.44 0.00 -0.26 0.00 0.00 57.72 56.53 3mr2 n HIS 307 Cb 0.57 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 3mr2 n HIS 307 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3mr2 n ASP 308 N -0.18 3.95 -4.78 0.41 4.64 -1.26 -4.92 116.55 114.40 3mr2 n ASP 308 Ca 0.02 0.95 -0.35 0.00 -1.38 0.00 0.00 54.79 54.03 3mr2 n ASP 308 Cb 0.21 -1.50 -0.02 0.00 -1.04 0.00 0.00 41.12 38.78 3mr2 n ASP 308 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3mr2 s PRO 309 N 3.68 3.61 -0.43 -0.67 0.04 -1.26 -4.68 135.00 135.28 3mr2 s PRO 309 Ca 0.87 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 63.15 3mr2 s PRO 309 Cb -0.51 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 31.93 3mr2 s PRO 309 CO 0.42 -0.62 1.49 0.08 0.04 0.00 0.00 177.00 178.41 3mr2 s VAL 310 N -1.83 3.80 0.26 -0.36 1.01 -1.26 -4.99 120.40 117.02 3mr2 s VAL 310 Ca 0.69 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 63.16 3mr2 s VAL 310 Cb -0.21 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 3mr2 s VAL 310 CO 0.25 -0.78 1.09 -0.54 0.00 0.00 0.00 175.10 175.12 3mr2 s LYS 311 N 5.23 4.64 -1.28 2.72 3.01 -1.26 -4.91 119.74 127.89 3mr2 s LYS 311 Ca 0.63 1.78 -0.18 0.00 -1.01 0.00 0.00 55.97 57.19 3mr2 s LYS 311 Cb -0.14 -3.21 0.08 0.00 -1.01 0.00 0.00 37.83 33.55 3mr2 s LYS 311 CO 0.31 0.20 1.71 -1.25 0.51 0.00 0.00 175.35 176.84 3mr2 s PRO 312 N -1.26 3.98 -0.15 -1.68 0.04 -1.26 -3.51 135.00 131.16 3mr2 s PRO 312 Ca 0.45 -2.00 -0.04 0.00 0.04 0.00 0.00 61.00 59.45 3mr2 s PRO 312 Cb -0.31 -5.50 0.07 0.00 0.04 0.00 0.00 34.50 28.79 3mr2 s PRO 312 CO 0.40 -2.23 0.17 0.50 0.04 0.00 0.00 177.00 175.88 3mr2 s ARG 313 N 4.09 0.11 -0.09 4.56 3.52 -1.12 -5.00 118.95 125.02 3mr2 s ARG 313 Ca 0.53 0.30 0.19 0.00 -0.13 0.00 0.00 55.73 56.62 3mr2 s ARG 313 Cb 0.03 -0.94 -0.25 0.00 -1.56 0.00 0.00 34.95 32.23 3mr2 s ARG 313 CO 0.07 -0.52 0.38 1.04 -0.81 0.00 0.00 175.30 175.46 3mr2 n GLN 314 N 5.31 0.66 -3.89 5.12 6.02 -1.26 -0.98 117.38 128.37 3mr2 n GLN 314 Ca -0.05 -0.01 -0.35 0.00 -0.01 0.00 0.00 57.00 56.57 3mr2 n GLN 314 Cb 0.50 -1.59 -0.05 0.00 1.02 0.00 0.00 30.24 30.11 3mr2 n GLN 314 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3mr2 s LEU 315 N -5.28 4.38 0.44 1.08 1.43 -1.26 -4.70 118.68 114.78 3mr2 s LEU 315 Ca -0.08 0.42 -0.25 0.00 -1.03 0.00 0.00 54.13 53.20 3mr2 s LEU 315 Cb 0.09 -2.31 -0.08 0.00 0.03 0.00 0.00 46.19 43.92 3mr2 s LEU 315 CO 0.85 0.35 1.33 -2.16 0.23 0.00 0.00 176.35 176.94 3mr2 s PRO 316 N -1.42 3.74 0.40 1.29 0.04 -1.26 -4.92 135.00 132.88 3mr2 s PRO 316 Ca 0.20 2.20 0.22 0.00 0.04 0.00 0.00 61.00 63.66 3mr2 s PRO 316 Cb -0.12 -2.62 0.37 0.00 0.04 0.00 0.00 34.50 32.17 3mr2 s PRO 316 CO 0.10 -0.69 1.60 0.87 0.04 0.00 0.00 177.00 178.93 3mr2 h LYS 317 N 2.33 0.00 -4.25 4.56 1.57 -1.98 -3.46 116.57 115.35 3mr2 h LYS 317 Ca -0.50 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.12 3mr2 h LYS 317 Cb 1.26 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.40 3mr2 h LYS 317 CO 0.61 0.15 -0.69 0.95 -0.57 0.00 0.00 179.45 179.90 3mr2 s THR 318 N -3.20 0.28 -0.11 -0.16 -4.23 -1.26 -4.44 115.64 102.52 3mr2 s THR 318 Ca 0.05 -1.54 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 3mr2 s THR 318 Cb 0.06 -1.15 0.02 0.00 1.34 0.00 0.00 72.50 72.78 3mr2 s THR 318 CO 0.68 -0.81 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.21 3mr2 s ILE 319 N -3.05 1.26 0.08 2.99 1.01 -0.38 -4.98 121.20 118.13 3mr2 s ILE 319 Ca 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 3mr2 s ILE 319 Cb 0.02 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 3mr2 s ILE 319 CO -0.06 0.40 0.08 -0.83 0.00 0.00 0.00 174.94 174.52 3mr2 s GLY 320 N 1.30 0.41 -0.05 6.18 0.00 -1.26 0.59 107.32 114.49 3mr2 s GLY 320 Ca -0.01 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 43.69 3mr2 s GLY 320 CO -0.05 -1.12 -0.07 0.00 0.00 0.00 0.00 173.10 171.86 3mr2 s SER 322 N 0.76 0.26 -0.10 0.00 1.04 -1.26 -0.86 113.70 113.54 3mr2 s SER 322 Ca -0.11 -0.68 -0.05 0.00 0.48 0.00 0.00 55.95 55.59 3mr2 s SER 322 Cb -0.14 0.23 0.05 0.00 0.10 0.00 0.00 66.02 66.25 3mr2 s SER 322 CO 0.01 -0.55 0.22 -0.75 0.98 0.00 0.00 173.24 173.15 3mr2 s LYS 323 N -3.07 0.17 0.26 4.02 2.20 -0.35 -4.94 119.74 118.03 3mr2 s LYS 323 Ca -0.01 0.51 -0.17 0.00 -0.36 0.00 0.00 55.97 55.94 3mr2 s LYS 323 Cb 0.02 -0.13 -0.09 0.00 -1.51 0.00 0.00 37.83 36.12 3mr2 s LYS 323 CO -0.07 -0.18 0.72 -0.80 -0.36 0.00 0.00 175.35 174.67 3mr2 s ASN 324 N 1.36 6.93 -0.52 1.43 -0.87 -1.26 -1.58 114.94 120.42 3mr2 s ASN 324 Ca -0.08 1.35 0.06 0.00 -1.57 0.00 0.00 52.86 52.62 3mr2 s ASN 324 Cb -0.11 -2.40 0.23 0.00 -0.02 0.00 0.00 41.25 38.95 3mr2 s ASN 324 CO -0.08 -0.07 0.57 0.49 -2.57 0.00 0.00 177.10 175.44 3mr2 n PHE 325 N 0.25 1.42 -1.91 2.20 3.01 0.84 -4.93 117.46 118.34 3mr2 n PHE 325 Ca 0.00 -3.83 -0.36 0.00 1.01 0.00 0.00 57.45 54.27 3mr2 n PHE 325 Cb 0.52 -0.37 0.05 0.00 -0.01 0.00 0.00 39.48 39.67 3mr2 n PHE 325 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3mr2 s PRO 326 N -1.48 2.84 2.50 -1.08 0.04 -1.26 -2.40 135.00 134.16 3mr2 s PRO 326 Ca 0.35 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.32 3mr2 s PRO 326 Cb 0.11 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.74 3mr2 s PRO 326 CO -0.10 -1.34 0.00 0.41 0.04 0.00 0.00 177.00 176.02 3mr2 n GLY 327 N 0.66 2.78 0.28 0.56 0.00 -1.26 -1.07 105.19 107.15 3mr2 n GLY 327 Ca 0.14 0.29 0.17 0.00 0.00 0.00 0.00 46.02 46.62 3mr2 n GLY 327 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mr2 h LYS 328 N 0.00 0.00 -0.00 1.61 3.64 -2.04 -2.85 116.57 116.93 3mr2 h LYS 328 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3mr2 h LYS 328 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3mr2 h LYS 328 CO 0.00 0.05 -0.05 0.25 -2.27 0.00 0.00 179.45 177.43 3mr2 n THR 329 N -3.23 0.00 -1.58 1.00 -2.24 -0.23 -4.90 114.28 103.10 3mr2 n THR 329 Ca -0.01 -0.05 -0.45 0.00 -2.27 0.00 0.00 64.05 61.27 3mr2 n THR 329 Cb 0.25 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.22 3mr2 n THR 329 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mr2 n ALA 330 N -0.94 -0.46 -2.18 6.98 0.00 -1.01 -4.79 120.51 118.11 3mr2 n ALA 330 Ca 0.17 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.60 3mr2 n ALA 330 Cb 0.23 -2.00 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 3mr2 n ALA 330 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mr2 s LEU 331 N 0.64 4.37 0.00 0.00 1.43 -0.67 -4.74 118.68 119.70 3mr2 s LEU 331 Ca 0.61 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 56.01 3mr2 s LEU 331 Cb -0.74 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 41.90 3mr2 s LEU 331 CO 0.58 -0.65 0.58 0.00 0.23 0.00 0.00 176.35 177.09 3mr2 n ALA 332 N 4.06 1.68 -2.79 4.21 0.00 -1.26 -1.46 120.51 124.95 3mr2 n ALA 332 Ca 0.11 -0.58 -0.15 0.00 0.00 0.00 0.00 53.44 52.82 3mr2 n ALA 332 Cb 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.76 3mr2 n ALA 332 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3mr2 s THR 333 N -0.32 0.79 0.14 0.00 -4.23 -1.26 -0.45 115.64 110.30 3mr2 s THR 333 Ca 0.00 -1.18 -0.21 0.00 -1.18 0.00 0.00 61.69 59.12 3mr2 s THR 333 Cb 0.00 -0.81 -0.00 0.00 1.34 0.00 0.00 72.50 73.03 3mr2 s THR 333 CO 0.00 -0.31 1.67 -0.09 -0.54 0.00 0.00 174.62 175.35 3mr2 h ARG 334 N 4.41 -0.12 -0.80 3.99 2.43 -1.36 -1.70 114.38 121.23 3mr2 h ARG 334 Ca -0.38 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 58.90 3mr2 h ARG 334 Cb 1.20 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.70 3mr2 h ARG 334 CO 0.40 -0.08 0.45 0.93 -1.51 0.00 0.00 179.97 180.16 3mr2 h GLU 335 N -0.12 0.72 -0.25 0.20 4.39 -1.97 0.13 114.58 117.68 3mr2 h GLU 335 Ca 0.11 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.80 3mr2 h GLU 335 Cb 0.29 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3mr2 h GLU 335 CO -0.27 0.48 0.07 1.96 -1.16 0.00 0.00 179.01 180.09 3mr2 h GLN 336 N 0.74 0.18 -0.25 2.33 4.20 -1.77 -0.20 115.11 120.33 3mr2 h GLN 336 Ca 0.39 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 59.10 3mr2 h GLN 336 Cb 0.39 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 3mr2 h GLN 336 CO -0.26 0.12 0.15 0.28 -0.67 0.00 0.00 178.83 178.45 3mr2 h VAL 337 N 0.18 1.03 -0.73 -0.54 2.07 -0.49 -1.62 116.25 116.15 3mr2 h VAL 337 Ca 0.11 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3mr2 h VAL 337 Cb 0.09 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3mr2 h VAL 337 CO -0.12 0.06 0.29 1.56 0.02 0.00 0.00 177.57 179.37 3mr2 h GLN 338 N 0.31 1.08 -0.27 1.57 4.20 -0.79 -1.27 115.11 119.93 3mr2 h GLN 338 Ca 0.10 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 3mr2 h GLN 338 Cb -0.01 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 3mr2 h GLN 338 CO -0.04 0.88 0.03 2.35 -0.67 0.00 0.00 178.83 181.37 3mr2 h TRP 339 N 1.05 0.50 -0.35 2.96 7.01 -0.66 -1.55 115.95 124.90 3mr2 h TRP 339 Ca 0.24 -0.07 -0.08 0.00 2.11 0.00 0.00 58.89 61.08 3mr2 h TRP 339 Cb 0.21 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 3mr2 h TRP 339 CO 0.02 0.58 -0.13 -1.49 -2.79 0.00 0.00 178.44 174.63 3mr2 h TRP 340 N 0.27 0.68 -0.97 2.65 4.06 -1.20 -0.86 115.95 120.58 3mr2 h TRP 340 Ca 0.08 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 60.92 3mr2 h TRP 340 Cb 0.36 -0.18 -0.05 0.00 -1.00 0.00 0.00 29.16 28.30 3mr2 h TRP 340 CO 0.03 0.73 0.62 -0.07 -3.56 0.00 0.00 178.44 176.18 3mr2 h LEU 341 N 0.57 1.14 -0.78 -4.49 3.38 -1.09 -1.08 115.31 112.96 3mr2 h LEU 341 Ca 0.10 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3mr2 h LEU 341 Cb 0.56 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3mr2 h LEU 341 CO 0.04 0.85 0.10 0.25 0.09 0.00 0.00 178.44 179.77 3mr2 h LEU 342 N 1.33 0.98 -0.35 1.67 5.85 -0.72 0.16 115.31 124.22 3mr2 h LEU 342 Ca 0.35 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3mr2 h LEU 342 Cb -0.11 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.65 3mr2 h LEU 342 CO -0.07 0.97 0.14 1.56 -0.34 0.00 0.00 178.44 180.71 3mr2 h GLN 343 N 0.96 0.52 -0.64 1.25 1.08 -0.58 -0.56 115.11 117.15 3mr2 h GLN 343 Ca 0.19 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 3mr2 h GLN 343 Cb 0.42 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 3mr2 h GLN 343 CO 0.01 0.50 0.35 -0.07 -0.95 0.00 0.00 178.83 178.67 3mr2 h LEU 344 N 0.42 0.80 -1.19 1.46 3.38 -0.96 -2.37 115.31 116.85 3mr2 h LEU 344 Ca 0.12 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3mr2 h LEU 344 Cb 0.17 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3mr2 h LEU 344 CO -0.01 0.67 0.08 0.00 0.09 0.00 0.00 178.44 179.27 3mr2 h ALA 345 N 1.16 1.34 -0.39 1.53 0.00 -0.44 -0.96 119.26 121.51 3mr2 h ALA 345 Ca 0.22 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3mr2 h ALA 345 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3mr2 h ALA 345 CO -0.04 0.46 -0.15 1.96 0.00 0.00 0.00 179.25 181.49 3mr2 h GLN 346 N 0.62 0.79 -0.39 0.00 4.20 -0.84 0.18 115.11 119.67 3mr2 h GLN 346 Ca 0.14 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 3mr2 h GLN 346 Cb 0.28 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 3mr2 h GLN 346 CO 0.00 0.95 0.18 1.49 -0.67 0.00 0.00 178.83 180.78 3mr2 h GLU 347 N 0.60 0.57 -0.49 1.46 4.81 -1.17 -2.47 114.58 117.89 3mr2 h GLU 347 Ca 0.09 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3mr2 h GLU 347 Cb 0.69 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 3mr2 h GLU 347 CO 0.05 0.52 0.26 1.25 -0.73 0.00 0.00 179.01 180.36 3mr2 h LEU 348 N 0.49 0.40 -0.64 1.64 5.85 -0.99 -1.55 115.31 120.50 3mr2 h LEU 348 Ca 0.13 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.94 3mr2 h LEU 348 Cb 0.14 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 3mr2 h LEU 348 CO -0.01 0.28 0.32 -0.08 -0.34 0.00 0.00 178.44 178.61 3mr2 h GLU 349 N 0.52 0.57 -0.03 1.25 4.81 -0.51 0.19 114.58 121.39 3mr2 h GLU 349 Ca 0.21 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3mr2 h GLU 349 Cb 0.09 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3mr2 h GLU 349 CO -0.13 0.38 -0.02 0.93 -0.73 0.00 0.00 179.01 179.44 3mr2 h GLU 350 N 0.59 -0.03 -0.54 1.92 5.08 -0.95 0.02 114.58 120.67 3mr2 h GLU 350 Ca 0.30 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.59 3mr2 h GLU 350 Cb 0.25 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3mr2 h GLU 350 CO -0.22 -0.02 0.04 0.00 -1.00 0.00 0.00 179.01 177.81 3mr2 h ARG 351 N -0.03 0.89 -0.41 2.33 3.08 -0.79 -2.26 114.38 117.18 3mr2 h ARG 351 Ca 0.02 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.73 3mr2 h ARG 351 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3mr2 h ARG 351 CO -0.05 0.86 -0.16 -0.07 -1.07 0.00 0.00 179.97 179.49 3mr2 h LEU 352 N 0.83 0.86 -0.74 3.04 3.38 -0.48 -0.88 115.31 121.33 3mr2 h LEU 352 Ca 0.16 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 3mr2 h LEU 352 Cb 0.44 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3mr2 h LEU 352 CO 0.02 1.05 0.34 0.74 0.09 0.00 0.00 178.44 180.68 3mr2 h THR 353 N 0.65 1.24 -0.49 0.22 2.02 -0.91 -0.04 112.91 115.60 3mr2 h THR 353 Ca 0.10 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 3mr2 h THR 353 Cb 0.71 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3mr2 h THR 353 CO 0.05 0.29 0.19 0.50 0.37 0.00 0.00 175.52 176.92 3mr2 h LYS 354 N 1.04 0.75 -0.73 6.66 3.64 -1.31 -2.60 116.57 124.02 3mr2 h LYS 354 Ca 0.25 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3mr2 h LYS 354 Cb 0.14 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 3mr2 h LYS 354 CO -0.03 0.67 0.46 0.22 -2.27 0.00 0.00 179.45 178.50 3mr2 h ASP 355 N 0.66 0.74 -0.67 4.20 3.58 -0.60 -0.21 116.42 124.12 3mr2 h ASP 355 Ca 0.16 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 3mr2 h ASP 355 Cb 0.21 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 3mr2 h ASP 355 CO -0.01 0.51 0.38 -0.09 -2.88 0.00 0.00 179.24 177.14 3mr2 h ARG 356 N 0.88 0.93 -0.29 0.28 2.43 -0.88 0.26 114.38 117.99 3mr2 h ARG 356 Ca 0.30 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 3mr2 h ARG 356 Cb 0.05 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3mr2 h ARG 356 CO -0.12 0.69 -0.17 -0.91 -1.51 0.00 0.00 179.97 177.95 3mr2 h ASN 357 N 0.91 0.64 -0.17 -3.80 2.35 -1.04 -1.90 115.58 112.57 3mr2 h ASN 357 Ca 0.24 -0.42 -0.22 0.00 -0.55 0.00 0.00 56.30 55.35 3mr2 h ASN 357 Cb 0.02 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.22 3mr2 h ASN 357 CO -0.04 0.93 -0.75 0.44 -1.65 0.00 0.00 177.43 176.36 3mr2 h ASP 358 N 0.36 0.95 -0.08 5.81 3.32 -0.90 -3.38 116.42 122.50 3mr2 h ASP 358 Ca 0.06 -0.62 0.00 0.00 0.02 0.00 0.00 57.03 56.49 3mr2 h ASP 358 Cb 0.70 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3mr2 h ASP 358 CO 0.05 1.41 0.00 0.59 -1.72 0.00 0.00 179.24 179.57 3mr2 n ASN 359 N -3.95 2.09 -3.65 6.45 3.02 0.89 -5.01 115.26 115.10 3mr2 n ASN 359 Ca -0.07 -1.86 -0.21 0.00 -0.03 0.00 0.00 54.58 52.40 3mr2 n ASN 359 Cb 0.73 -0.05 0.05 0.00 -0.61 0.00 0.00 39.78 39.90 3mr2 n ASN 359 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3mr2 n ASP 360 N -0.16 -2.14 -3.65 6.41 8.00 -0.71 -4.93 116.55 119.37 3mr2 n ASP 360 Ca 0.03 -0.75 -0.10 0.00 0.71 0.00 0.00 54.79 54.68 3mr2 n ASP 360 Cb 0.26 -4.38 -0.05 0.00 -0.02 0.00 0.00 41.12 36.94 3mr2 n ASP 360 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mr2 s ARG 361 N -5.92 1.04 -0.01 -1.24 1.70 -1.25 -1.26 118.95 112.02 3mr2 s ARG 361 Ca 0.12 -0.70 0.02 0.00 -0.47 0.00 0.00 55.73 54.70 3mr2 s ARG 361 Cb -0.06 0.46 -0.00 0.00 -0.57 0.00 0.00 34.95 34.78 3mr2 s ARG 361 CO 0.79 -0.40 -0.07 0.14 -1.08 0.00 0.00 175.30 174.68 3mr2 s VAL 362 N -3.70 0.58 0.43 4.99 -7.23 0.20 -4.00 120.40 111.67 3mr2 s VAL 362 Ca 0.02 -0.30 -0.23 0.00 -1.81 0.00 0.00 61.98 59.66 3mr2 s VAL 362 Cb 0.02 -0.50 -0.09 0.00 0.56 0.00 0.00 36.38 36.37 3mr2 s VAL 362 CO -0.11 0.17 1.03 0.00 -0.31 0.00 0.00 175.10 175.88 3mr2 s ALA 363 N -0.09 3.02 0.00 1.32 0.00 -1.26 -0.38 121.76 124.37 3mr2 s ALA 363 Ca 0.02 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.61 3mr2 s ALA 363 Cb -0.04 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3mr2 s ALA 363 CO -0.00 -0.19 0.29 0.25 0.00 0.00 0.00 175.76 176.11 3mr2 n THR 364 N -0.38 0.00 -4.22 0.00 -2.24 -0.52 -4.82 114.28 102.11 3mr2 n THR 364 Ca 0.06 -0.44 -0.17 0.00 -2.27 0.00 0.00 64.05 61.24 3mr2 n THR 364 Cb 0.51 1.08 -0.13 0.00 -2.10 0.00 0.00 70.33 69.69 3mr2 n THR 364 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3mr2 s GLN 365 N -0.29 0.65 -0.19 -0.78 0.74 -0.52 -1.46 119.66 117.81 3mr2 s GLN 365 Ca 0.00 -0.56 -0.02 0.00 0.05 0.00 0.00 55.36 54.83 3mr2 s GLN 365 Cb 0.00 -0.58 -0.01 0.00 1.10 0.00 0.00 33.01 33.53 3mr2 s GLN 365 CO 0.00 0.14 -0.09 -1.17 -0.55 0.00 0.00 175.29 173.62 3mr2 s LEU 366 N -0.89 2.75 -0.17 3.68 2.96 -0.05 -0.79 118.68 126.16 3mr2 s LEU 366 Ca -0.02 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.44 3mr2 s LEU 366 Cb -0.06 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 3mr2 s LEU 366 CO 0.00 0.03 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.35 3mr2 s VAL 367 N 1.16 3.98 -0.12 1.68 1.01 0.57 -1.34 120.40 127.33 3mr2 s VAL 367 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3mr2 s VAL 367 Cb -0.14 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 3mr2 s VAL 367 CO -0.02 0.48 -0.13 0.54 0.00 0.00 0.00 175.10 175.96 3mr2 s VAL 368 N 0.49 3.04 0.02 2.92 0.11 0.53 -0.68 120.40 126.83 3mr2 s VAL 368 Ca -0.02 -0.67 0.07 0.00 -2.93 0.00 0.00 61.98 58.42 3mr2 s VAL 368 Cb -0.14 -2.26 -0.02 0.00 -1.53 0.00 0.00 36.38 32.43 3mr2 s VAL 368 CO 0.02 0.53 -0.20 -0.55 -3.33 0.00 0.00 175.10 171.57 3mr2 s SER 369 N 0.23 2.41 0.06 3.54 0.15 -0.22 -0.81 113.70 119.06 3mr2 s SER 369 Ca -0.09 -0.47 0.03 0.00 0.70 0.00 0.00 55.95 56.12 3mr2 s SER 369 Cb -0.15 -0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 63.91 3mr2 s SER 369 CO 0.05 0.19 -0.08 0.27 1.20 0.00 0.00 173.24 174.86 3mr2 s ILE 370 N -0.69 0.67 -0.10 6.45 -4.36 -0.71 -1.02 121.20 121.44 3mr2 s ILE 370 Ca 0.07 -1.32 0.04 0.00 -0.26 0.00 0.00 60.65 59.18 3mr2 s ILE 370 Cb -0.08 -0.93 -0.00 0.00 1.25 0.00 0.00 42.46 42.69 3mr2 s ILE 370 CO 0.01 -0.47 -0.23 -0.60 0.24 0.00 0.00 174.94 173.89 3mr2 s ARG 371 N -2.14 3.06 0.09 0.37 3.52 -0.79 0.11 118.95 123.17 3mr2 s ARG 371 Ca -0.04 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 54.71 3mr2 s ARG 371 Cb -0.06 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.96 3mr2 s ARG 371 CO -0.00 0.20 0.24 0.14 -0.81 0.00 0.00 175.30 175.06 3mr2 s VAL 372 N 0.31 5.36 0.25 7.11 -7.23 -1.26 0.61 120.40 125.55 3mr2 s VAL 372 Ca -0.17 -0.44 -0.31 0.00 -1.81 0.00 0.00 61.98 59.25 3mr2 s VAL 372 Cb -0.18 -3.66 -0.14 0.00 0.56 0.00 0.00 36.38 32.97 3mr2 s VAL 372 CO 0.08 0.08 1.31 1.67 -0.31 0.00 0.00 175.10 177.93 3mr2 n GLN 373 N 0.08 1.84 -0.09 4.82 7.27 -0.06 -1.27 117.38 129.97 3mr2 n GLN 373 Ca -0.05 0.65 0.00 0.00 0.07 0.00 0.00 57.00 57.67 3mr2 n GLN 373 Cb 0.52 -2.24 0.00 0.00 2.41 0.00 0.00 30.24 30.92 3mr2 n GLN 373 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3mr2 n GLY 374 N 1.85 1.33 3.62 1.69 0.00 -1.26 -4.96 105.19 107.46 3mr2 n GLY 374 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3mr2 n GLY 374 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mr2 s ASP 375 N -2.97 6.25 0.36 1.61 -1.08 -0.40 -4.96 116.67 115.48 3mr2 s ASP 375 Ca 0.00 0.28 0.19 0.00 -0.52 0.00 0.00 52.55 52.51 3mr2 s ASP 375 Cb 0.00 -2.19 0.43 0.00 -1.46 0.00 0.00 42.92 39.70 3mr2 s ASP 375 CO 0.00 -0.12 1.61 0.11 0.52 0.00 0.00 175.17 177.30 3mr2 h LYS 376 N 7.95 0.00 -7.11 4.34 1.57 -1.96 -3.45 116.57 117.92 3mr2 h LYS 376 Ca -0.34 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.90 3mr2 h LYS 376 Cb 1.17 0.00 0.13 0.00 0.08 0.00 0.00 32.23 33.61 3mr2 h LYS 376 CO 0.65 0.35 0.49 1.03 -0.57 0.00 0.00 179.45 181.40 3mr2 s ARG 377 N -3.27 2.77 0.16 3.15 0.52 -1.26 -4.92 118.95 116.09 3mr2 s ARG 377 Ca 0.03 1.92 -0.19 0.00 -0.52 0.00 0.00 55.73 56.97 3mr2 s ARG 377 Cb 0.08 -1.89 0.06 0.00 0.52 0.00 0.00 34.95 33.72 3mr2 s ARG 377 CO 0.70 -1.39 1.67 -0.07 0.02 0.00 0.00 175.30 176.23 3mr2 h LEU 378 N 0.71 -0.41 -8.10 2.53 3.38 -1.98 -3.41 115.31 108.03 3mr2 h LEU 378 Ca -0.51 0.11 -0.63 0.00 0.09 0.00 0.00 57.88 56.95 3mr2 h LEU 378 Cb 1.31 0.24 -0.34 0.00 0.09 0.00 0.00 40.66 41.96 3mr2 h LEU 378 CO 0.54 -0.15 -0.85 -0.55 0.09 0.00 0.00 178.44 177.52 3mr2 s SER 379 N -5.17 2.77 0.09 -0.43 0.15 -1.26 -4.61 113.70 105.23 3mr2 s SER 379 Ca -0.14 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.01 3mr2 s SER 379 Cb 0.13 -1.26 -0.25 0.00 -1.71 0.00 0.00 66.02 62.93 3mr2 s SER 379 CO 0.70 0.05 1.17 0.28 1.20 0.00 0.00 173.24 176.64 3mr2 h SER 380 N 7.38 0.24 -4.29 5.45 0.02 -0.56 -3.48 113.55 118.30 3mr2 h SER 380 Ca -0.32 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.32 3mr2 h SER 380 Cb 1.18 -0.08 -0.21 0.00 0.14 0.00 0.00 62.40 63.44 3mr2 h SER 380 CO 0.52 1.20 0.10 -0.22 -1.14 0.00 0.00 176.83 177.30 3mr2 s LEU 381 N -6.93 -0.56 -0.03 5.07 2.96 -1.02 -5.00 118.68 113.16 3mr2 s LEU 381 Ca -0.02 1.15 0.04 0.00 -0.22 0.00 0.00 54.13 55.07 3mr2 s LEU 381 Cb 0.08 2.35 -0.00 0.00 0.50 0.00 0.00 46.19 49.12 3mr2 s LEU 381 CO 0.85 -0.34 -0.14 -0.13 -1.32 0.00 0.00 176.35 175.27 3mr2 s ARG 382 N -0.12 1.37 0.07 1.98 0.52 -1.26 -1.74 118.95 119.77 3mr2 s ARG 382 Ca -0.03 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 54.70 3mr2 s ARG 382 Cb -0.03 -1.24 -0.04 0.00 0.52 0.00 0.00 34.95 34.16 3mr2 s ARG 382 CO 0.04 0.21 -0.06 1.03 0.02 0.00 0.00 175.30 176.54 3mr2 s ARG 383 N 0.02 0.68 0.05 3.54 1.81 0.01 -4.99 118.95 120.06 3mr2 s ARG 383 Ca -0.02 -1.12 -0.02 0.00 -1.72 0.00 0.00 55.73 52.86 3mr2 s ARG 383 Cb -0.09 -0.12 -0.03 0.00 -0.45 0.00 0.00 34.95 34.25 3mr2 s ARG 383 CO 0.01 -0.02 -0.00 0.00 -0.68 0.00 0.00 175.30 174.61 3mr2 s ALA 386 N -3.92 3.47 -0.69 0.00 0.00 -1.26 -0.87 121.76 118.49 3mr2 s ALA 386 Ca 0.24 1.01 -0.15 0.00 0.00 0.00 0.00 51.96 53.06 3mr2 s ALA 386 Cb -0.00 -3.44 0.17 0.00 0.00 0.00 0.00 23.12 19.85 3mr2 s ALA 386 CO 0.10 -0.43 0.65 -1.17 0.00 0.00 0.00 175.76 174.91 3mr2 s LEU 387 N -0.26 6.39 -0.01 0.00 0.20 -0.54 -4.67 118.68 119.79 3mr2 s LEU 387 Ca 0.54 -2.20 0.16 0.00 0.69 0.00 0.00 54.13 53.32 3mr2 s LEU 387 Cb -0.34 -2.22 -0.22 0.00 -0.43 0.00 0.00 46.19 42.98 3mr2 s LEU 387 CO 0.38 -0.74 0.51 0.35 -0.29 0.00 0.00 176.35 176.55 3mr2 n THR 388 N 4.67 0.00 -3.84 3.68 -2.24 -1.26 -4.41 114.28 110.89 3mr2 n THR 388 Ca 0.00 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 3mr2 n THR 388 Cb 0.44 0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 69.06 3mr2 n THR 388 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3mr2 s ARG 389 N -2.84 0.05 -1.48 -0.78 0.52 -1.26 -5.05 118.95 108.12 3mr2 s ARG 389 Ca -0.00 0.11 -0.13 0.00 -0.52 0.00 0.00 55.73 55.18 3mr2 s ARG 389 Cb 0.11 -0.02 0.02 0.00 0.52 0.00 0.00 34.95 35.59 3mr2 s ARG 389 CO 0.67 -0.04 2.34 0.66 0.02 0.00 0.00 175.30 178.94 3mr2 n TYR 390 N 3.27 3.33 -3.98 -0.53 0.53 -1.26 -4.79 117.16 113.74 3mr2 n TYR 390 Ca -0.15 -2.99 -0.30 0.00 -1.02 0.00 0.00 57.90 53.44 3mr2 n TYR 390 Cb 0.58 -2.52 -0.16 0.00 -1.03 0.00 0.00 39.34 36.20 3mr2 n TYR 390 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3mr2 s ASP 391 N 2.93 3.10 0.22 7.72 -1.08 -1.26 -5.01 116.67 123.30 3mr2 s ASP 391 Ca 0.50 -0.74 -0.07 0.00 -0.52 0.00 0.00 52.55 51.72 3mr2 s ASP 391 Cb 0.15 -1.15 0.19 0.00 -1.46 0.00 0.00 42.92 40.65 3mr2 s ASP 391 CO -0.08 -0.13 1.78 0.00 0.52 0.00 0.00 175.17 177.26 3mr2 h ALA 392 N 8.02 1.06 -0.56 3.66 0.00 -1.89 0.02 119.26 129.58 3mr2 h ALA 392 Ca -0.29 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 3mr2 h ALA 392 Cb 1.11 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3mr2 h ALA 392 CO 0.47 0.66 0.15 0.45 0.00 0.00 0.00 179.25 180.98 3mr2 h HIS 393 N 1.12 0.93 -0.54 0.00 3.86 -1.94 -0.37 115.15 118.22 3mr2 h HIS 393 Ca 0.25 -0.10 -0.06 0.00 -1.16 0.00 0.00 60.37 59.30 3mr2 h HIS 393 Cb 0.23 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 3mr2 h HIS 393 CO 0.02 0.79 0.10 -0.22 0.86 0.00 0.00 177.93 179.49 3mr2 h LYS 394 N 0.80 0.88 -0.37 2.45 3.64 -1.83 -1.91 116.57 120.23 3mr2 h LYS 394 Ca 0.18 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3mr2 h LYS 394 Cb 0.32 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3mr2 h LYS 394 CO -0.00 0.85 0.12 0.52 -2.27 0.00 0.00 179.45 178.66 3mr2 h MET 395 N 0.77 0.57 -0.34 1.90 2.86 -0.77 0.51 114.93 120.43 3mr2 h MET 395 Ca 0.17 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 3mr2 h MET 395 Cb 0.38 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3mr2 h MET 395 CO 0.01 0.58 -0.19 0.66 1.06 0.00 0.00 176.91 179.03 3mr2 h SER 396 N 0.44 0.64 -0.34 1.22 4.64 -1.01 -0.14 113.55 119.00 3mr2 h SER 396 Ca 0.12 -0.21 -0.08 0.00 -0.47 0.00 0.00 61.79 61.15 3mr2 h SER 396 Cb 0.25 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3mr2 h SER 396 CO -0.00 0.84 -0.08 -0.74 -0.87 0.00 0.00 176.83 175.97 3mr2 h HIS 397 N 0.57 0.74 -0.63 4.77 6.17 -1.13 -1.37 115.15 124.27 3mr2 h HIS 397 Ca 0.09 -0.16 -0.06 0.00 0.71 0.00 0.00 60.37 60.95 3mr2 h HIS 397 Cb 0.65 -0.18 -0.03 0.00 2.52 0.00 0.00 27.41 30.37 3mr2 h HIS 397 CO 0.03 0.82 0.15 -0.44 0.71 0.00 0.00 177.93 179.20 3mr2 h ASP 398 N 0.44 0.94 -0.63 3.26 3.32 -0.72 -0.82 116.42 122.21 3mr2 h ASP 398 Ca 0.09 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 3mr2 h ASP 398 Cb 0.58 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3mr2 h ASP 398 CO 0.03 0.91 0.16 0.00 -1.72 0.00 0.00 179.24 178.62 3mr2 h ALA 399 N 1.21 1.05 -0.47 3.45 0.00 -0.87 -1.92 119.26 121.70 3mr2 h ALA 399 Ca 0.20 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3mr2 h ALA 399 Cb 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3mr2 h ALA 399 CO 0.00 0.63 -0.23 0.35 0.00 0.00 0.00 179.25 180.00 3mr2 h PHE 400 N 0.98 1.14 -0.92 0.00 3.04 -0.93 -2.78 116.94 117.47 3mr2 h PHE 400 Ca 0.21 -0.28 0.10 0.00 3.98 0.00 0.00 57.97 61.98 3mr2 h PHE 400 Cb 0.35 -0.26 -0.08 0.00 2.56 0.00 0.00 35.95 38.52 3mr2 h PHE 400 CO 0.02 1.11 0.56 1.15 -2.02 0.00 0.00 178.31 179.13 3mr2 h THR 401 N 0.85 0.94 0.00 4.41 2.02 -0.76 0.21 112.91 120.59 3mr2 h THR 401 Ca 0.11 -0.32 -0.09 0.00 0.77 0.00 0.00 66.41 66.88 3mr2 h THR 401 Cb 0.81 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3mr2 h THR 401 CO 0.07 0.17 -0.41 0.58 0.37 0.00 0.00 175.52 176.30 3mr2 h VAL 402 N 0.93 0.81 -0.01 3.16 2.07 -1.21 -3.30 116.25 118.70 3mr2 h VAL 402 Ca 0.44 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 66.18 3mr2 h VAL 402 Cb 0.37 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3mr2 h VAL 402 CO -0.24 0.40 -0.02 2.30 0.02 0.00 0.00 177.57 180.03 3mr2 n ILE 403 N -3.36 0.00 0.28 4.57 -5.35 -0.83 -4.71 119.36 109.95 3mr2 n ILE 403 Ca 0.01 -0.49 0.15 0.00 -0.27 0.00 0.00 62.75 62.14 3mr2 n ILE 403 Cb 0.60 1.11 0.81 0.00 -1.74 0.00 0.00 39.64 40.42 3mr2 n ILE 403 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3mr2 h LYS 404 N 1.06 0.00 0.00 6.28 2.10 -0.68 -0.79 116.57 124.53 3mr2 h LYS 404 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3mr2 h LYS 404 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 3mr2 h LYS 404 CO 0.00 0.08 0.00 0.27 -2.00 0.00 0.00 179.45 177.80 3mr2 n ASN 405 N -3.55 0.00 0.21 7.07 6.94 -1.26 -2.82 115.26 121.86 3mr2 n ASN 405 Ca -0.02 0.34 0.14 0.00 -0.02 0.00 0.00 54.58 55.02 3mr2 n ASN 405 Cb 0.20 -0.43 0.42 0.00 -2.36 0.00 0.00 39.78 37.61 3mr2 n ASN 405 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3mr2 s ASN 407 N -5.55 6.73 -0.02 0.00 2.47 -1.13 -4.64 114.94 112.80 3mr2 s ASN 407 Ca 0.05 1.44 -0.22 0.00 0.42 0.00 0.00 52.86 54.55 3mr2 s ASN 407 Cb 0.08 -2.54 -0.22 0.00 -1.45 0.00 0.00 41.25 37.12 3mr2 s ASN 407 CO 0.58 -0.99 1.10 0.71 -3.72 0.00 0.00 177.10 174.79 3mr2 h THR 408 N 5.81 1.48 -2.48 -5.21 1.35 -0.72 -3.48 112.91 109.67 3mr2 h THR 408 Ca -0.27 -1.88 0.02 0.00 -0.55 0.00 0.00 66.41 63.73 3mr2 h THR 408 Cb 1.11 2.57 -0.15 0.00 -1.73 0.00 0.00 68.15 69.94 3mr2 h THR 408 CO 1.01 0.53 0.31 -0.55 -0.25 0.00 0.00 175.52 176.57 3mr2 s SER 409 N -6.41 -0.52 0.00 5.36 0.15 -1.25 -5.02 113.70 106.02 3mr2 s SER 409 Ca -0.15 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.68 3mr2 s SER 409 Cb 0.02 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 3mr2 s SER 409 CO 0.77 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 175.07 3mr2 n GLY 410 N 0.01 3.64 4.91 9.45 0.00 -1.26 -3.67 105.19 118.28 3mr2 n GLY 410 Ca -0.15 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3mr2 n GLY 410 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3mr2 n THR 413 N 0.00 0.00 -2.39 2.61 -1.04 -1.26 -5.06 114.28 107.14 3mr2 n THR 413 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 3mr2 n THR 413 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 3mr2 n THR 413 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3mr2 s GLU 414 N 0.00 3.88 -0.15 -2.82 0.41 -1.26 -1.17 118.70 117.60 3mr2 s GLU 414 Ca 0.00 0.87 -0.00 0.00 -0.41 0.00 0.00 54.97 55.42 3mr2 s GLU 414 Cb 0.00 -2.16 0.03 0.00 -1.78 0.00 0.00 34.13 30.22 3mr2 s GLU 414 CO 0.00 -0.28 -0.08 -0.46 -0.49 0.00 0.00 175.26 173.95 3mr2 s TRP 415 N -2.66 1.75 -0.00 1.61 -0.11 0.40 -4.46 118.94 115.46 3mr2 s TRP 415 Ca 0.57 -1.02 -0.07 0.00 1.22 0.00 0.00 56.10 56.81 3mr2 s TRP 415 Cb -0.10 -1.35 0.00 0.00 -1.50 0.00 0.00 33.47 30.52 3mr2 s TRP 415 CO 0.34 -0.60 0.13 -1.54 -4.62 0.00 0.00 176.95 170.67 3mr2 s SER 416 N 1.62 0.02 0.53 5.86 1.04 -1.24 -3.94 113.70 117.59 3mr2 s SER 416 Ca 0.03 -0.16 -0.20 0.00 0.48 0.00 0.00 55.95 56.09 3mr2 s SER 416 Cb -0.14 0.21 -0.06 0.00 0.10 0.00 0.00 66.02 66.13 3mr2 s SER 416 CO -0.08 -0.33 1.11 -2.16 0.98 0.00 0.00 173.24 172.76 3mr2 s PRO 417 N -1.22 3.47 0.57 4.02 0.04 -1.26 -0.01 135.00 140.61 3mr2 s PRO 417 Ca -0.13 1.57 -0.20 0.00 0.04 0.00 0.00 61.00 62.29 3mr2 s PRO 417 Cb -0.07 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 3mr2 s PRO 417 CO 0.01 -0.74 0.98 -2.30 0.04 0.00 0.00 177.00 174.99 3mr2 n PRO 418 N -1.17 1.01 -3.46 0.56 -0.02 -1.25 -4.74 135.00 125.92 3mr2 n PRO 418 Ca 0.11 0.38 -0.37 0.00 -2.02 0.00 0.00 63.50 61.60 3mr2 n PRO 418 Cb 0.51 -2.16 -0.07 0.00 -0.02 0.00 0.00 33.50 31.77 3mr2 n PRO 418 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mr2 s LEU 419 N -1.77 4.25 0.00 2.45 1.43 -0.53 -0.88 118.68 123.63 3mr2 s LEU 419 Ca 0.73 0.61 0.20 0.00 -1.03 0.00 0.00 54.13 54.65 3mr2 s LEU 419 Cb -0.44 -2.48 0.23 0.00 0.03 0.00 0.00 46.19 43.53 3mr2 s LEU 419 CO 0.49 0.07 1.20 0.35 0.23 0.00 0.00 176.35 178.69 3mr2 n THR 420 N 3.60 0.16 -3.60 5.49 -2.24 0.20 -1.68 114.28 116.21 3mr2 n THR 420 Ca -0.10 -0.58 -0.14 0.00 -2.27 0.00 0.00 64.05 60.95 3mr2 n THR 420 Cb 0.52 1.28 -0.07 0.00 -2.10 0.00 0.00 70.33 69.96 3mr2 n THR 420 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3mr2 s MET 421 N -1.60 0.85 -0.05 -0.78 -2.45 -1.16 -0.11 119.30 114.00 3mr2 s MET 421 Ca 0.27 0.76 0.05 0.00 -1.25 0.00 0.00 55.69 55.53 3mr2 s MET 421 Cb 0.18 0.41 -0.01 0.00 1.25 0.00 0.00 34.83 36.66 3mr2 s MET 421 CO 0.26 -0.15 -0.22 -0.51 1.05 0.00 0.00 175.02 175.45 3mr2 s LEU 422 N -0.04 2.01 -0.08 4.11 1.43 -0.62 -1.88 118.68 123.60 3mr2 s LEU 422 Ca -0.02 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 3mr2 s LEU 422 Cb -0.04 -1.21 0.05 0.00 0.03 0.00 0.00 46.19 45.02 3mr2 s LEU 422 CO 0.02 0.21 0.15 0.12 0.23 0.00 0.00 176.35 177.09 3mr2 s PHE 423 N -0.09 -0.17 -0.18 0.29 5.99 -0.19 -1.21 117.98 122.44 3mr2 s PHE 423 Ca -0.04 0.59 -0.05 0.00 0.00 0.00 0.00 56.93 57.43 3mr2 s PHE 423 Cb -0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 43.02 42.59 3mr2 s PHE 423 CO 0.03 -0.27 0.01 -0.51 -0.00 0.00 0.00 175.22 174.48 3mr2 s LEU 424 N 2.29 3.44 -0.07 6.12 1.43 -0.04 -1.05 118.68 130.79 3mr2 s LEU 424 Ca 0.03 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3mr2 s LEU 424 Cb -0.12 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.26 3mr2 s LEU 424 CO -0.06 0.14 -0.08 0.00 0.23 0.00 0.00 176.35 176.58 3mr2 s ALA 426 N 1.08 3.49 0.22 0.00 0.00 0.20 -0.32 121.76 126.43 3mr2 s ALA 426 Ca -0.07 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.72 3mr2 s ALA 426 Cb -0.14 -2.63 -0.01 0.00 0.00 0.00 0.00 23.12 20.34 3mr2 s ALA 426 CO -0.01 0.03 0.23 2.41 0.00 0.00 0.00 175.76 178.42 3mr2 n THR 427 N 3.58 0.00 -3.40 0.00 -1.04 0.03 -1.25 114.28 112.20 3mr2 n THR 427 Ca -0.08 -1.45 -0.20 0.00 -2.04 0.00 0.00 64.05 60.28 3mr2 n THR 427 Cb 0.52 0.77 0.06 0.00 -1.82 0.00 0.00 70.33 69.86 3mr2 n THR 427 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3mr2 n LYS 428 N -0.40 -1.85 -2.34 -2.82 5.02 -1.26 -1.44 118.16 113.07 3mr2 n LYS 428 Ca 0.03 0.75 -0.38 0.00 -2.02 0.00 0.00 58.31 56.69 3mr2 n LYS 428 Cb 0.39 -5.21 -0.02 0.00 -0.02 0.00 0.00 35.03 30.17 3mr2 n LYS 428 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3mr2 s PHE 429 N -3.40 3.11 0.05 2.13 0.08 -1.26 -1.99 117.98 116.70 3mr2 s PHE 429 Ca 0.45 1.57 0.02 0.00 0.12 0.00 0.00 56.93 59.09 3mr2 s PHE 429 Cb -0.10 -3.35 -0.03 0.00 -0.57 0.00 0.00 43.02 38.98 3mr2 s PHE 429 CO 0.78 -1.19 -0.07 -1.54 -0.10 0.00 0.00 175.22 173.10 3mr2 s SER 430 N -1.20 0.87 0.56 1.36 1.04 0.49 -4.94 113.70 111.88 3mr2 s SER 430 Ca 0.57 -0.65 -0.21 0.00 0.48 0.00 0.00 55.95 56.14 3mr2 s SER 430 Cb -0.29 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 3mr2 s SER 430 CO 0.37 -0.27 1.30 0.00 0.98 0.00 0.00 173.24 175.62 3mr2 s ALA 431 N -1.87 2.74 0.00 5.32 0.00 -1.26 -0.63 121.76 126.05 3mr2 s ALA 431 Ca -0.06 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.12 3mr2 s ALA 431 Cb -0.07 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3mr2 s ALA 431 CO -0.01 -1.29 0.00 -1.13 0.00 0.00 0.00 175.76 173.33