#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr6 h PRO -1 N 0.00 1.02 -0.19 1.61 0.13 -2.11 -2.83 132.00 129.62 3mr6 h PRO -1 Ca 0.00 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3mr6 h PRO -1 Cb 0.00 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 30.93 3mr6 h PRO -1 CO 0.00 0.76 0.00 0.72 -0.23 0.00 0.00 178.00 179.25 3mr6 n HIS 0 N -4.35 0.23 -2.62 1.56 8.25 -1.26 -4.87 115.22 112.16 3mr6 n HIS 0 Ca 0.07 -0.12 -0.43 0.00 -0.26 0.00 0.00 57.72 56.99 3mr6 n HIS 0 Cb 0.11 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 3mr6 n HIS 0 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 3mr6 s MET 1 N -1.77 4.18 0.31 -0.41 0.00 -1.07 -5.01 119.30 115.53 3mr6 s MET 1 Ca 0.34 1.28 -0.29 0.00 0.00 0.00 0.00 55.69 57.03 3mr6 s MET 1 Cb 0.21 -3.69 -0.10 0.00 0.00 0.00 0.00 34.83 31.24 3mr6 s MET 1 CO 0.30 -0.75 1.27 0.00 0.00 0.00 0.00 175.02 175.85 3mr6 s ALA 2 N 3.42 3.49 -0.74 4.11 0.00 -1.26 -4.94 121.76 125.84 3mr6 s ALA 2 Ca 0.46 1.19 0.06 0.00 0.00 0.00 0.00 51.96 53.67 3mr6 s ALA 2 Cb -0.15 -3.45 0.06 0.00 0.00 0.00 0.00 23.12 19.58 3mr6 s ALA 2 CO 0.11 -0.55 0.73 0.25 0.00 0.00 0.00 175.76 176.30 3mr6 n THR 3 N 1.04 0.09 -3.63 0.00 -2.24 -1.26 -5.01 114.28 103.28 3mr6 n THR 3 Ca 0.00 -0.55 -0.23 0.00 -2.27 0.00 0.00 64.05 61.01 3mr6 n THR 3 Cb 0.42 1.07 0.07 0.00 -2.10 0.00 0.00 70.33 69.79 3mr6 n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mr6 n GLY 4 N 0.32 -0.47 0.49 3.38 0.00 -1.26 -4.82 105.19 102.83 3mr6 n GLY 4 Ca 0.04 0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.33 3mr6 n GLY 4 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mr6 n GLN 5 N -4.68 1.80 0.11 1.61 6.02 -1.26 -4.76 117.38 116.24 3mr6 n GLN 5 Ca -0.09 -2.83 -0.02 0.00 -0.01 0.00 0.00 57.00 54.04 3mr6 n GLN 5 Cb 0.59 -1.64 0.08 0.00 1.02 0.00 0.00 30.24 30.29 3mr6 n GLN 5 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 3mr6 h ASP 6 N 0.72 0.00 -2.46 1.08 -0.00 -1.90 -3.46 116.42 110.40 3mr6 h ASP 6 Ca 0.03 0.00 -0.56 0.00 -0.00 0.00 0.00 57.03 56.50 3mr6 h ASP 6 Cb 1.19 0.00 -0.14 0.00 -0.00 0.00 0.00 39.33 40.38 3mr6 h ASP 6 CO 0.10 0.72 -0.70 -0.13 -0.00 0.00 0.00 179.24 179.23 3mr6 s ARG 7 N -3.28 1.65 -0.27 4.15 0.52 -1.26 -5.03 118.95 115.43 3mr6 s ARG 7 Ca -0.00 -1.81 -0.02 0.00 -0.52 0.00 0.00 55.73 53.38 3mr6 s ARG 7 Cb 0.11 -1.48 0.04 0.00 0.52 0.00 0.00 34.95 34.14 3mr6 s ARG 7 CO 0.78 0.16 -0.03 0.08 0.02 0.00 0.00 175.30 176.30 3mr6 s VAL 8 N -2.76 2.93 -0.03 3.52 1.01 -1.26 -4.19 120.40 119.63 3mr6 s VAL 8 Ca 0.30 -1.21 0.07 0.00 0.00 0.00 0.00 61.98 61.14 3mr6 s VAL 8 Cb 0.01 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 3mr6 s VAL 8 CO 0.14 0.04 -0.24 -0.69 0.00 0.00 0.00 175.10 174.35 3mr6 s VAL 9 N 1.29 1.90 0.14 2.92 1.01 0.58 -0.17 120.40 128.07 3mr6 s VAL 9 Ca -0.03 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 61.02 3mr6 s VAL 9 Cb -0.18 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3mr6 s VAL 9 CO -0.03 0.54 -0.20 0.00 0.00 0.00 0.00 175.10 175.41 3mr6 s ALA 10 N -0.43 2.00 -0.18 5.51 0.00 -0.30 -1.00 121.76 127.36 3mr6 s ALA 10 Ca 0.06 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.60 3mr6 s ALA 10 Cb -0.10 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 22.83 3mr6 s ALA 10 CO 0.00 0.31 -0.10 -1.17 0.00 0.00 0.00 175.76 174.80 3mr6 s LEU 11 N -2.38 1.97 -0.25 0.00 2.96 -0.09 -0.40 118.68 120.49 3mr6 s LEU 11 Ca 0.13 -0.73 -0.09 0.00 -0.22 0.00 0.00 54.13 53.23 3mr6 s LEU 11 Cb -0.08 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 3mr6 s LEU 11 CO 0.06 -0.13 0.11 -0.69 -1.32 0.00 0.00 176.35 174.38 3mr6 s VAL 12 N 1.48 4.73 -0.09 1.68 1.01 -0.87 -1.15 120.40 127.19 3mr6 s VAL 12 Ca 0.01 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3mr6 s VAL 12 Cb -0.15 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.03 3mr6 s VAL 12 CO -0.09 0.33 -0.13 -0.62 0.00 0.00 0.00 175.10 174.60 3mr6 s ASP 13 N 1.43 2.08 0.43 3.32 -1.08 -0.61 -1.85 116.67 120.38 3mr6 s ASP 13 Ca 0.06 -0.35 -0.25 0.00 -0.52 0.00 0.00 52.55 51.49 3mr6 s ASP 13 Cb -0.15 -0.93 -0.08 0.00 -1.46 0.00 0.00 42.92 40.30 3mr6 s ASP 13 CO 0.05 0.01 1.31 -0.04 0.52 0.00 0.00 175.17 177.03 3mr6 s MET 14 N 0.90 3.86 0.14 4.34 -1.94 -0.44 -1.84 119.30 124.31 3mr6 s MET 14 Ca -0.10 2.17 -0.30 0.00 -1.71 0.00 0.00 55.69 55.75 3mr6 s MET 14 Cb -0.15 -2.68 -0.06 0.00 2.01 0.00 0.00 34.83 33.94 3mr6 s MET 14 CO 0.01 -0.59 0.98 -0.51 -0.01 0.00 0.00 175.02 174.90 3mr6 s ASP 15 N -0.77 7.48 -0.25 3.03 1.01 -1.00 -4.13 116.67 122.04 3mr6 s ASP 15 Ca 0.59 1.86 -0.07 0.00 0.71 0.00 0.00 52.55 55.64 3mr6 s ASP 15 Cb -0.38 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 40.96 3mr6 s ASP 15 CO 0.49 -0.06 0.12 0.00 0.21 0.00 0.00 175.17 175.92 3mr6 h PHE 17 N 1.84 -0.72 -0.84 0.00 3.57 -1.95 -1.30 116.94 117.55 3mr6 h PHE 17 Ca -0.14 0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.51 3mr6 h PHE 17 Cb 0.28 0.34 -0.06 0.00 2.79 0.00 0.00 35.95 39.30 3mr6 h PHE 17 CO 0.08 -0.20 0.54 0.74 -2.23 0.00 0.00 178.31 177.24 3mr6 h PHE 18 N -0.15 0.80 -0.20 0.41 -1.00 -1.95 -1.32 116.94 113.54 3mr6 h PHE 18 Ca 0.03 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 3mr6 h PHE 18 Cb 0.24 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 3mr6 h PHE 18 CO -0.69 0.34 0.11 0.28 -1.61 0.00 0.00 178.31 176.74 3mr6 h VAL 19 N 0.72 1.11 -0.92 -0.55 2.07 -1.61 -2.25 116.25 114.81 3mr6 h VAL 19 Ca 0.40 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.65 3mr6 h VAL 19 Cb 0.55 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 3mr6 h VAL 19 CO -0.17 0.10 0.61 1.56 0.02 0.00 0.00 177.57 179.69 3mr6 h GLN 20 N 0.21 1.17 -0.53 1.57 4.20 -0.32 0.32 115.11 121.73 3mr6 h GLN 20 Ca 0.07 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.71 3mr6 h GLN 20 Cb 0.07 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 3mr6 h GLN 20 CO -0.01 0.77 0.35 0.28 -0.67 0.00 0.00 178.83 179.55 3mr6 h VAL 21 N 1.20 1.14 -0.08 -0.54 2.07 -1.03 0.76 116.25 119.77 3mr6 h VAL 21 Ca 0.35 -0.25 -0.14 0.00 0.82 0.00 0.00 66.70 67.48 3mr6 h VAL 21 Cb -0.07 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3mr6 h VAL 21 CO -0.09 0.13 -0.57 -0.33 0.02 0.00 0.00 177.57 176.73 3mr6 h GLU 22 N 0.72 0.24 -0.20 1.57 4.39 -0.80 -2.88 114.58 117.62 3mr6 h GLU 22 Ca 0.19 -0.16 -0.17 0.00 0.34 0.00 0.00 59.36 59.57 3mr6 h GLU 22 Cb -0.08 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3mr6 h GLU 22 CO -0.04 0.75 -0.56 1.96 -1.16 0.00 0.00 179.01 179.96 3mr6 h GLN 23 N 0.19 0.62 -0.81 2.33 4.20 0.03 0.25 115.11 121.92 3mr6 h GLN 23 Ca -0.00 -0.40 -0.04 0.00 0.06 0.00 0.00 58.65 58.27 3mr6 h GLN 23 Cb 1.06 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.85 3mr6 h GLN 23 CO 0.09 1.01 0.35 -0.09 -0.67 0.00 0.00 178.83 179.53 3mr6 h ARG 24 N 0.48 1.19 -0.18 1.46 2.43 -0.81 -3.11 114.38 115.83 3mr6 h ARG 24 Ca 0.01 -0.20 -0.16 0.00 -0.81 0.00 0.00 59.98 58.82 3mr6 h ARG 24 Cb 1.12 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3mr6 h ARG 24 CO 0.11 0.94 -0.51 0.37 -1.51 0.00 0.00 179.97 179.37 3mr6 h GLN 25 N 1.16 0.67 -3.82 0.20 4.15 -1.35 -3.39 115.11 112.73 3mr6 h GLN 25 Ca 0.27 -0.47 -0.65 0.00 0.77 0.00 0.00 58.65 58.57 3mr6 h GLN 25 Cb 0.17 0.08 -0.41 0.00 0.21 0.00 0.00 27.48 27.53 3mr6 h GLN 25 CO -0.03 1.09 -0.66 1.21 -1.93 0.00 0.00 178.83 178.51 3mr6 s ASN 26 N -6.76 4.46 0.61 -0.69 3.84 0.06 -4.98 114.94 111.48 3mr6 s ASN 26 Ca -0.12 -2.71 0.27 0.00 0.21 0.00 0.00 52.86 50.51 3mr6 s ASN 26 Cb 0.08 -1.62 1.39 0.00 -0.55 0.00 0.00 41.25 40.54 3mr6 s ASN 26 CO 0.85 -0.28 1.80 -0.65 -2.79 0.00 0.00 177.10 176.03 3mr6 h PRO 27 N 6.89 0.00 0.00 0.43 0.11 -1.77 -0.40 132.00 137.26 3mr6 h PRO 27 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3mr6 h PRO 27 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3mr6 h PRO 27 CO 0.63 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.87 3mr6 h HIS 28 N 0.00 0.00 0.00 0.65 3.86 -1.94 -2.36 115.15 115.37 3mr6 h HIS 28 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3mr6 h HIS 28 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 3mr6 h HIS 28 CO 0.00 0.00 -1.00 1.28 0.86 0.00 0.00 177.93 179.07 3mr6 n LEU 29 N -2.57 0.63 -4.77 2.43 4.77 -0.16 -4.94 117.00 112.39 3mr6 n LEU 29 Ca -0.00 -0.08 -0.40 0.00 -0.03 0.00 0.00 56.01 55.50 3mr6 n LEU 29 Cb 0.15 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3mr6 n LEU 29 CO 0.18 0.08 1.04 -0.13 -1.33 0.00 0.00 177.39 177.22 3mr6 s ARG 30 N -3.16 4.01 -1.45 3.23 0.52 -0.89 -3.15 118.95 118.06 3mr6 s ARG 30 Ca 0.05 2.34 -0.11 0.00 -0.52 0.00 0.00 55.73 57.49 3mr6 s ARG 30 Cb 0.15 -2.85 0.04 0.00 0.52 0.00 0.00 34.95 32.82 3mr6 s ARG 30 CO 0.80 -0.52 1.04 0.09 0.02 0.00 0.00 175.30 176.73 3mr6 n ASN 31 N 0.26 -5.65 -4.11 0.23 3.02 -1.26 -4.98 115.26 102.78 3mr6 n ASN 31 Ca 0.03 -0.62 -0.08 0.00 -0.03 0.00 0.00 54.58 53.87 3mr6 n ASN 31 Cb 0.42 -4.48 -0.10 0.00 -0.61 0.00 0.00 39.78 35.01 3mr6 n ASN 31 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mr6 s LYS 32 N -6.40 0.78 -0.36 3.52 1.02 -1.19 -5.08 119.74 112.04 3mr6 s LYS 32 Ca 0.60 -1.31 -0.29 0.00 0.02 0.00 0.00 55.97 54.99 3mr6 s LYS 32 Cb -0.28 0.23 -0.01 0.00 -0.52 0.00 0.00 37.83 37.25 3mr6 s LYS 32 CO 0.74 -0.19 1.63 -1.25 -0.92 0.00 0.00 175.35 175.36 3mr6 s PRO 33 N -3.98 3.46 0.03 -1.68 0.04 -1.26 -4.59 135.00 127.02 3mr6 s PRO 33 Ca 0.15 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.44 3mr6 s PRO 33 Cb 0.08 -4.12 -0.02 0.00 0.04 0.00 0.00 34.50 30.47 3mr6 s PRO 33 CO -0.04 -1.70 -0.05 0.00 0.04 0.00 0.00 177.00 175.25 3mr6 s ALA 35 N -1.75 0.07 -0.18 0.00 0.00 -0.39 -0.45 121.76 119.06 3mr6 s ALA 35 Ca -0.11 -0.79 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 3mr6 s ALA 35 Cb -0.08 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 3mr6 s ALA 35 CO -0.01 -0.40 0.05 0.08 0.00 0.00 0.00 175.76 175.47 3mr6 s VAL 36 N -3.47 4.69 0.11 0.00 1.01 -0.39 -1.17 120.40 121.18 3mr6 s VAL 36 Ca 0.02 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.00 3mr6 s VAL 36 Cb 0.04 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 3mr6 s VAL 36 CO -0.09 0.47 -0.15 0.68 0.00 0.00 0.00 175.10 176.01 3mr6 s VAL 37 N 0.35 1.36 -0.06 2.92 -7.23 -0.23 -0.72 120.40 116.78 3mr6 s VAL 37 Ca 0.02 -1.63 0.05 0.00 -1.81 0.00 0.00 61.98 58.61 3mr6 s VAL 37 Cb -0.12 -1.46 -0.01 0.00 0.56 0.00 0.00 36.38 35.35 3mr6 s VAL 37 CO 0.00 -0.33 -0.22 0.00 -0.31 0.00 0.00 175.10 174.24 3mr6 s GLN 38 N -2.41 2.41 0.26 4.82 -2.07 -0.93 -0.74 119.66 121.00 3mr6 s GLN 38 Ca 0.07 -0.80 0.00 0.00 -1.82 0.00 0.00 55.36 52.81 3mr6 s GLN 38 Cb -0.06 -2.00 0.00 0.00 -1.09 0.00 0.00 33.01 29.86 3mr6 s GLN 38 CO 0.03 0.29 0.00 0.66 -1.32 0.00 0.00 175.29 174.95 3mr6 n TYR 39 N 3.14 -1.85 0.00 9.60 4.01 -1.26 -2.79 117.16 128.01 3mr6 n TYR 39 Ca -0.18 0.99 0.00 0.00 -0.16 0.00 0.00 57.90 58.55 3mr6 n TYR 39 Cb 0.52 -1.69 0.00 0.00 -0.31 0.00 0.00 39.34 37.87 3mr6 n TYR 39 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3mr6 n LYS 40 N -3.30 0.07 -0.01 -0.72 5.02 -1.26 -4.10 118.16 113.85 3mr6 n LYS 40 Ca -0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.16 3mr6 n LYS 40 Cb 0.33 -0.40 -0.04 0.00 -0.02 0.00 0.00 35.03 34.91 3mr6 n LYS 40 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3mr6 h SER 41 N 0.00 -1.01 -3.66 4.39 4.64 -1.94 -2.66 113.55 113.31 3mr6 h SER 41 Ca 0.00 0.15 -0.60 0.00 -0.47 0.00 0.00 61.79 60.88 3mr6 h SER 41 Cb 0.00 0.43 -0.10 0.00 -0.31 0.00 0.00 62.40 62.42 3mr6 h SER 41 CO 0.00 -0.35 0.63 0.86 -0.87 0.00 0.00 176.83 177.09 3mr6 s TRP 42 N -6.00 2.92 -1.23 4.77 -0.11 -1.26 -4.02 118.94 114.01 3mr6 s TRP 42 Ca -0.15 0.45 -0.01 0.00 1.22 0.00 0.00 56.10 57.61 3mr6 s TRP 42 Cb 0.11 -4.00 0.01 0.00 -1.50 0.00 0.00 33.47 28.08 3mr6 s TRP 42 CO 0.66 -1.10 0.09 1.63 -4.62 0.00 0.00 176.95 173.61 3mr6 n LYS 43 N 7.22 -2.42 0.00 5.86 5.02 -1.26 -1.03 118.16 131.55 3mr6 n LYS 43 Ca 0.07 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 3mr6 n LYS 43 Cb 0.49 -5.31 0.00 0.00 -0.02 0.00 0.00 35.03 30.19 3mr6 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mr6 n GLY 44 N -0.92 2.22 0.00 0.72 0.00 -1.00 -1.78 105.19 104.43 3mr6 n GLY 44 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3mr6 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mr6 n GLY 45 N -2.00 2.53 3.71 -0.02 0.00 -0.19 -4.46 105.19 104.75 3mr6 n GLY 45 Ca 0.00 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 3mr6 n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mr6 s GLY 46 N 0.00 2.41 -0.00 -0.02 0.00 -1.12 0.30 107.32 108.90 3mr6 s GLY 46 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 44.72 44.33 3mr6 s GLY 46 CO 0.00 1.03 1.06 -0.42 0.00 0.00 0.00 173.10 174.77 3mr6 s ILE 47 N 0.94 4.59 -0.01 0.90 1.01 0.12 -2.19 121.20 126.56 3mr6 s ILE 47 Ca 0.31 1.86 0.00 0.00 0.00 0.00 0.00 60.65 62.82 3mr6 s ILE 47 Cb -0.16 -4.19 -0.00 0.00 0.01 0.00 0.00 42.46 38.11 3mr6 s ILE 47 CO 0.13 0.11 0.07 2.30 0.00 0.00 0.00 174.94 177.56 3mr6 n ILE 48 N 4.05 0.00 -3.78 2.92 -5.35 0.10 -1.42 119.36 115.88 3mr6 n ILE 48 Ca 0.08 -0.50 -0.13 0.00 -0.27 0.00 0.00 62.75 61.93 3mr6 n ILE 48 Cb 0.49 1.00 -0.10 0.00 -1.74 0.00 0.00 39.64 39.29 3mr6 n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mr6 s ALA 49 N -0.90 -0.71 -0.03 -1.28 0.00 -1.18 -4.93 121.76 112.74 3mr6 s ALA 49 Ca 0.00 0.55 -0.00 0.00 0.00 0.00 0.00 51.96 52.51 3mr6 s ALA 49 Cb 0.00 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.92 3mr6 s ALA 49 CO 0.01 -0.19 0.02 0.08 0.00 0.00 0.00 175.76 175.68 3mr6 s VAL 50 N -0.53 0.06 0.70 0.00 1.01 -1.26 -1.26 120.40 119.12 3mr6 s VAL 50 Ca -0.06 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.97 3mr6 s VAL 50 Cb -0.04 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 36.15 3mr6 s VAL 50 CO 0.02 0.15 1.17 -0.94 0.00 0.00 0.00 175.10 175.49 3mr6 s SER 51 N 1.40 4.58 0.45 3.32 1.04 0.40 -4.73 113.70 120.15 3mr6 s SER 51 Ca -0.05 2.21 0.15 0.00 0.48 0.00 0.00 55.95 58.75 3mr6 s SER 51 Cb -0.13 -2.57 1.03 0.00 0.10 0.00 0.00 66.02 64.44 3mr6 s SER 51 CO -0.03 -2.00 1.99 1.88 0.98 0.00 0.00 173.24 176.06 3mr6 h TYR 52 N -0.14 0.00 -0.47 5.02 -1.99 -1.90 -1.13 116.97 116.37 3mr6 h TYR 52 Ca -0.47 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.18 3mr6 h TYR 52 Cb 1.28 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.99 3mr6 h TYR 52 CO 0.50 0.19 -0.03 0.93 -0.00 0.00 0.00 178.16 179.75 3mr6 h GLU 53 N 0.00 0.79 -0.06 4.88 3.07 -1.91 -2.76 114.58 118.59 3mr6 h GLU 53 Ca -0.00 -0.23 -0.16 0.00 -0.50 0.00 0.00 59.36 58.47 3mr6 h GLU 53 Cb 0.34 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 3mr6 h GLU 53 CO 0.02 0.82 -0.66 0.00 -1.40 0.00 0.00 179.01 177.79 3mr6 h ALA 54 N 1.23 0.77 0.00 3.43 0.00 -1.50 -3.06 119.26 120.13 3mr6 h ALA 54 Ca 0.14 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3mr6 h ALA 54 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3mr6 h ALA 54 CO 0.03 0.77 -0.18 0.00 0.00 0.00 0.00 179.25 179.87 3mr6 h ARG 55 N 0.17 0.00 0.00 0.00 3.08 -0.99 -1.64 114.38 115.00 3mr6 h ARG 55 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3mr6 h ARG 55 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 3mr6 h ARG 55 CO 0.10 0.18 -0.01 0.00 -1.07 0.00 0.00 179.97 179.17 3mr6 h ALA 56 N 1.82 1.32 -0.01 0.04 0.00 -1.41 0.98 119.26 122.01 3mr6 h ALA 56 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mr6 h ALA 56 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3mr6 h ALA 56 CO 0.02 0.02 -0.33 1.19 0.00 0.00 0.00 179.25 180.15 3mr6 n PHE 57 N -3.56 0.00 -0.07 0.00 3.72 -0.63 -4.94 117.46 111.99 3mr6 n PHE 57 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3mr6 n PHE 57 Cb 0.10 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 3mr6 n PHE 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mr6 n GLY 58 N 1.36 0.61 3.76 1.37 0.00 0.34 -4.74 105.19 107.91 3mr6 n GLY 58 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3mr6 n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mr6 s VAL 59 N -2.11 2.60 0.26 1.61 1.01 -1.15 -5.00 120.40 117.62 3mr6 s VAL 59 Ca 0.00 0.56 0.02 0.00 0.00 0.00 0.00 61.98 62.56 3mr6 s VAL 59 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 3mr6 s VAL 59 CO 0.00 0.12 0.22 0.42 0.00 0.00 0.00 175.10 175.86 3mr6 s THR 60 N -0.73 0.00 0.61 3.92 -4.23 -1.26 -4.37 115.64 109.58 3mr6 s THR 60 Ca 0.53 -1.95 -0.18 0.00 -1.18 0.00 0.00 61.69 58.91 3mr6 s THR 60 Cb -0.41 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 3mr6 s THR 60 CO 0.51 0.00 1.17 -0.60 -0.54 0.00 0.00 174.62 175.16 3mr6 s ARG 61 N -3.79 2.94 -1.32 3.99 3.00 -1.26 -3.46 118.95 119.04 3mr6 s ARG 61 Ca 0.39 1.70 -0.03 0.00 -1.00 0.00 0.00 55.73 56.78 3mr6 s ARG 61 Cb 0.04 -1.94 0.00 0.00 0.00 0.00 0.00 34.95 33.06 3mr6 s ARG 61 CO 0.19 -1.20 0.46 0.43 0.00 0.00 0.00 175.30 175.18 3mr6 n SER 62 N -1.78 -5.36 -4.32 -2.12 7.64 -0.50 -5.00 113.62 102.17 3mr6 n SER 62 Ca 0.13 -0.22 -0.31 0.00 1.01 0.00 0.00 58.87 59.48 3mr6 n SER 62 Cb 0.50 -4.22 -0.16 0.00 -1.01 0.00 0.00 64.21 59.33 3mr6 n SER 62 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 3mr6 s MET 63 N -5.43 2.03 0.27 1.43 0.00 -1.22 -4.93 119.30 111.44 3mr6 s MET 63 Ca 0.23 -0.98 -0.29 0.00 0.00 0.00 0.00 55.69 54.64 3mr6 s MET 63 Cb -0.10 -2.03 -0.09 0.00 0.00 0.00 0.00 34.83 32.61 3mr6 s MET 63 CO 0.28 0.55 1.24 -1.58 0.00 0.00 0.00 175.02 175.50 3mr6 s TRP 64 N -0.67 3.30 0.29 4.11 0.52 -1.26 -0.70 118.94 124.52 3mr6 s TRP 64 Ca 0.11 1.45 0.00 0.00 0.02 0.00 0.00 56.10 57.68 3mr6 s TRP 64 Cb -0.10 -3.52 0.51 0.00 -1.15 0.00 0.00 33.47 29.21 3mr6 s TRP 64 CO -0.00 -1.41 1.88 0.00 0.02 0.00 0.00 176.95 177.44 3mr6 h ALA 65 N 4.22 1.50 -0.90 0.98 0.00 -0.15 -0.25 119.26 124.66 3mr6 h ALA 65 Ca -0.47 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.48 3mr6 h ALA 65 Cb 1.22 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3mr6 h ALA 65 CO 0.70 0.34 0.57 -0.44 0.00 0.00 0.00 179.25 180.42 3mr6 h ASP 66 N 1.06 0.93 -0.31 0.00 3.32 -1.61 0.12 116.42 119.93 3mr6 h ASP 66 Ca 0.43 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.32 3mr6 h ASP 66 Cb 0.28 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3mr6 h ASP 66 CO -0.18 0.62 -0.45 0.44 -1.72 0.00 0.00 179.24 177.95 3mr6 h ASP 67 N 1.08 0.93 -0.76 6.45 3.32 -1.52 -3.04 116.42 122.88 3mr6 h ASP 67 Ca 0.37 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3mr6 h ASP 67 Cb 0.09 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 3mr6 h ASP 67 CO -0.14 1.26 0.43 0.00 -1.72 0.00 0.00 179.24 179.07 3mr6 h ALA 68 N 0.70 1.32 0.00 3.45 0.00 -0.45 -1.58 119.26 122.70 3mr6 h ALA 68 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3mr6 h ALA 68 Cb 1.05 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3mr6 h ALA 68 CO 0.10 0.57 -0.09 0.87 0.00 0.00 0.00 179.25 180.70 3mr6 h LYS 69 N 1.07 0.00 -0.38 0.00 1.79 -0.70 0.65 116.57 119.00 3mr6 h LYS 69 Ca 0.27 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.59 3mr6 h LYS 69 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3mr6 h LYS 69 CO -0.05 0.09 -0.38 0.87 -1.08 0.00 0.00 179.45 178.90 3mr6 h LYS 70 N 0.00 0.91 -0.09 3.15 1.57 -1.18 -2.34 116.57 118.59 3mr6 h LYS 70 Ca -0.00 -0.48 -0.23 0.00 -1.87 0.00 0.00 60.65 58.07 3mr6 h LYS 70 Cb 0.20 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.53 3mr6 h LYS 70 CO 0.01 1.13 -0.86 -0.07 -0.57 0.00 0.00 179.45 179.09 3mr6 h LEU 71 N 0.74 0.83 -6.91 2.94 3.38 -1.23 -3.40 115.31 111.66 3mr6 h LEU 71 Ca 0.06 -0.59 -0.60 0.00 0.09 0.00 0.00 57.88 56.84 3mr6 h LEU 71 Cb 0.97 -0.25 -0.40 0.00 0.09 0.00 0.00 40.66 41.07 3mr6 h LEU 71 CO 0.09 1.38 -0.76 0.00 0.09 0.00 0.00 178.44 179.25 3mr6 h PRO 73 N 6.85 0.64 -0.63 0.00 0.11 -1.65 -1.91 132.00 135.40 3mr6 h PRO 73 Ca -0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3mr6 h PRO 73 Cb 0.94 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3mr6 h PRO 73 CO 0.43 0.42 0.00 -0.25 -0.21 0.00 0.00 178.00 178.40 3mr6 n ASP 74 N -4.57 4.01 -4.67 -2.05 8.00 -1.26 -4.96 116.55 111.06 3mr6 n ASP 74 Ca 0.18 -2.33 -0.47 0.00 0.71 0.00 0.00 54.79 52.88 3mr6 n ASP 74 Cb 0.51 -0.52 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 3mr6 n ASP 74 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3mr6 n LEU 75 N 0.98 3.08 -4.85 0.64 7.94 -0.72 -4.84 117.00 119.24 3mr6 n LEU 75 Ca 0.22 1.06 -0.35 0.00 -1.11 0.00 0.00 56.01 55.83 3mr6 n LEU 75 Cb 0.74 -1.39 -0.06 0.00 0.53 0.00 0.00 43.42 43.24 3mr6 n LEU 75 CO 0.20 -0.28 0.21 -0.76 -1.11 0.00 0.00 177.39 175.65 3mr6 s LEU 76 N 1.77 4.32 -0.04 -1.96 1.43 0.20 -4.99 118.68 119.42 3mr6 s LEU 76 Ca 0.83 1.03 0.03 0.00 -1.03 0.00 0.00 54.13 54.99 3mr6 s LEU 76 Cb -0.71 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.23 3mr6 s LEU 76 CO 0.43 0.09 -0.14 -0.76 0.23 0.00 0.00 176.35 176.20 3mr6 s LEU 77 N -2.06 1.84 -0.12 1.79 1.43 -1.26 -1.26 118.68 119.04 3mr6 s LEU 77 Ca 0.38 -0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 53.20 3mr6 s LEU 77 Cb -0.14 -0.80 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 3mr6 s LEU 77 CO 0.19 0.11 -0.11 0.00 0.23 0.00 0.00 176.35 176.78 3mr6 s ALA 78 N 0.14 2.74 -0.10 4.21 0.00 -0.32 -4.97 121.76 123.46 3mr6 s ALA 78 Ca -0.04 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 50.93 3mr6 s ALA 78 Cb -0.11 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.71 3mr6 s ALA 78 CO 0.02 0.31 0.23 -0.65 0.00 0.00 0.00 175.76 175.66 3mr6 s GLN 79 N 0.12 3.72 0.31 0.00 -0.21 -1.26 -1.07 119.66 121.27 3mr6 s GLN 79 Ca -0.05 0.03 -0.29 0.00 0.02 0.00 0.00 55.36 55.07 3mr6 s GLN 79 Cb -0.14 -3.24 -0.11 0.00 1.00 0.00 0.00 33.01 30.52 3mr6 s GLN 79 CO 0.04 0.66 1.47 0.08 -2.12 0.00 0.00 175.29 175.42 3mr6 s VAL 80 N -0.76 2.35 0.51 1.09 1.01 0.08 -4.94 120.40 119.74 3mr6 s VAL 80 Ca 0.17 0.32 -0.23 0.00 0.00 0.00 0.00 61.98 62.24 3mr6 s VAL 80 Cb -0.13 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 3mr6 s VAL 80 CO 0.06 0.06 1.35 -1.14 0.00 0.00 0.00 175.10 175.43 3mr6 n ARG 81 N 1.49 1.84 -5.03 2.72 0.63 -1.25 -4.77 116.66 112.30 3mr6 n ARG 81 Ca 0.04 0.67 -0.31 0.00 -0.92 0.00 0.00 57.85 57.34 3mr6 n ARG 81 Cb 0.39 -2.55 -0.17 0.00 0.45 0.00 0.00 32.46 30.59 3mr6 n ARG 81 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3mr6 s GLU 82 N -2.67 2.77 -0.01 -0.14 2.02 -1.26 0.23 118.70 119.64 3mr6 s GLU 82 Ca 0.68 -0.78 -0.02 0.00 0.02 0.00 0.00 54.97 54.87 3mr6 s GLU 82 Cb -0.44 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 31.66 3mr6 s GLU 82 CO 0.52 0.13 0.04 -1.12 0.02 0.00 0.00 175.26 174.85 3mr6 s SER 83 N 0.47 0.00 -1.36 -0.19 0.01 0.52 -4.85 113.70 108.29 3mr6 s SER 83 Ca -0.17 -0.02 -0.07 0.00 1.31 0.00 0.00 55.95 57.00 3mr6 s SER 83 Cb -0.17 0.10 0.04 0.00 0.21 0.00 0.00 66.02 66.21 3mr6 s SER 83 CO 0.07 -0.08 0.49 0.54 0.41 0.00 0.00 173.24 174.67 3mr6 n ARG 84 N 2.72 -3.83 -0.99 12.44 1.74 -1.26 -1.66 116.66 125.82 3mr6 n ARG 84 Ca -0.15 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 3mr6 n ARG 84 Cb 0.59 -5.39 0.00 0.00 -1.02 0.00 0.00 32.46 26.64 3mr6 n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mr6 n GLY 85 N -1.27 0.46 3.27 -0.13 0.00 -1.26 -4.86 105.19 101.41 3mr6 n GLY 85 Ca -0.06 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 3mr6 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mr6 s LYS 86 N -0.70 1.01 0.34 1.61 -2.85 -0.67 -5.13 119.74 113.35 3mr6 s LYS 86 Ca 0.00 -1.11 -0.29 0.00 -1.00 0.00 0.00 55.97 53.58 3mr6 s LYS 86 Cb 0.00 0.35 -0.11 0.00 -2.06 0.00 0.00 37.83 36.01 3mr6 s LYS 86 CO 0.00 -0.35 1.50 0.00 0.10 0.00 0.00 175.35 176.61 3mr6 s ALA 87 N -3.93 3.63 -0.18 0.59 0.00 -1.26 -0.35 121.76 120.26 3mr6 s ALA 87 Ca 0.13 1.53 0.01 0.00 0.00 0.00 0.00 51.96 53.63 3mr6 s ALA 87 Cb 0.04 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 19.57 3mr6 s ALA 87 CO -0.04 -0.98 -0.20 1.21 0.00 0.00 0.00 175.76 175.75 3mr6 s ASN 88 N 0.08 3.09 -0.15 0.00 3.04 0.14 -4.78 114.94 116.36 3mr6 s ASN 88 Ca 0.56 -0.64 0.15 0.00 0.04 0.00 0.00 52.86 52.98 3mr6 s ASN 88 Cb -0.46 -1.46 0.71 0.00 -1.54 0.00 0.00 41.25 38.50 3mr6 s ASN 88 CO 0.56 0.00 1.61 0.18 -3.04 0.00 0.00 177.10 176.40 3mr6 n LEU 89 N 4.60 4.84 -0.19 3.21 7.99 -1.26 -3.97 117.00 132.22 3mr6 n LEU 89 Ca -0.21 -2.45 -0.00 0.00 -0.01 0.00 0.00 56.01 53.35 3mr6 n LEU 89 Cb 0.50 -0.60 0.10 0.00 -0.11 0.00 0.00 43.42 43.30 3mr6 n LEU 89 CO 0.26 0.70 0.90 0.74 -1.51 0.00 0.00 177.39 178.48 3mr6 h THR 90 N 3.79 0.63 -1.00 -5.08 2.02 -1.96 -1.16 112.91 110.15 3mr6 h THR 90 Ca 0.00 -0.08 0.10 0.00 0.77 0.00 0.00 66.41 67.20 3mr6 h THR 90 Cb 1.57 0.39 -0.08 0.00 -1.74 0.00 0.00 68.15 68.29 3mr6 h THR 90 CO 0.31 0.04 0.64 0.50 0.37 0.00 0.00 175.52 177.38 3mr6 h LYS 91 N 0.22 1.04 -0.08 6.66 3.64 -2.00 -1.01 116.57 125.04 3mr6 h LYS 91 Ca 0.30 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.41 3mr6 h LYS 91 Cb 0.45 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3mr6 h LYS 91 CO -0.41 0.69 -0.80 1.88 -2.27 0.00 0.00 179.45 178.54 3mr6 h TYR 92 N 1.07 0.76 -0.59 1.91 -1.99 -1.60 -1.82 116.97 114.71 3mr6 h TYR 92 Ca 0.47 -0.35 -0.05 0.00 2.00 0.00 0.00 58.73 60.80 3mr6 h TYR 92 Cb 0.35 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 38.95 3mr6 h TYR 92 CO -0.00 1.15 0.19 0.00 -0.00 0.00 0.00 178.16 179.50 3mr6 h ARG 93 N 0.36 0.91 -0.40 4.88 3.08 -0.73 -0.34 114.38 122.14 3mr6 h ARG 93 Ca -0.05 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 59.69 3mr6 h ARG 93 Cb 1.41 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 3mr6 h ARG 93 CO 0.15 0.81 -0.23 0.93 -1.07 0.00 0.00 179.97 180.56 3mr6 h GLU 94 N 0.83 0.80 -0.70 0.04 5.08 -1.18 -1.39 114.58 118.07 3mr6 h GLU 94 Ca 0.19 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 3mr6 h GLU 94 Cb 0.28 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3mr6 h GLU 94 CO -0.01 0.95 0.15 0.00 -1.00 0.00 0.00 179.01 179.10 3mr6 h ALA 95 N 1.04 0.94 -0.69 3.43 0.00 -1.15 -2.35 119.26 120.48 3mr6 h ALA 95 Ca 0.09 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3mr6 h ALA 95 Cb 0.75 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3mr6 h ALA 95 CO 0.06 0.67 0.44 1.03 0.00 0.00 0.00 179.25 181.45 3mr6 h SER 96 N 1.06 0.73 -0.85 0.00 0.87 -0.68 -2.17 113.55 112.51 3mr6 h SER 96 Ca 0.22 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.80 3mr6 h SER 96 Cb 0.40 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 3mr6 h SER 96 CO 0.01 0.52 0.55 0.58 -0.53 0.00 0.00 176.83 177.95 3mr6 h VAL 97 N 0.87 1.14 -0.59 2.23 2.07 -0.97 0.83 116.25 121.83 3mr6 h VAL 97 Ca 0.27 -0.37 0.10 0.00 0.82 0.00 0.00 66.70 67.52 3mr6 h VAL 97 Cb -0.03 -0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 29.64 3mr6 h VAL 97 CO -0.09 0.20 0.19 -0.33 0.02 0.00 0.00 177.57 177.55 3mr6 h GLU 98 N 1.07 0.33 -0.09 1.57 5.08 -0.87 -1.10 114.58 120.57 3mr6 h GLU 98 Ca 0.34 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.61 3mr6 h GLU 98 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3mr6 h GLU 98 CO -0.11 0.22 -0.21 0.28 -1.00 0.00 0.00 179.01 178.19 3mr6 h VAL 99 N 0.34 1.40 -0.84 3.13 2.07 -1.09 -3.09 116.25 118.18 3mr6 h VAL 99 Ca 0.30 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 3mr6 h VAL 99 Cb 0.40 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 3mr6 h VAL 99 CO -0.34 0.43 0.49 0.24 0.02 0.00 0.00 177.57 178.41 3mr6 h MET 100 N -0.15 1.14 -0.61 1.57 2.86 -0.61 -2.23 114.93 116.91 3mr6 h MET 100 Ca 0.00 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 3mr6 h MET 100 Cb 0.80 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 3mr6 h MET 100 CO 0.05 0.81 0.08 0.93 1.06 0.00 0.00 176.91 179.84 3mr6 h GLU 101 N 1.16 0.99 -0.29 1.72 5.08 -1.26 -1.16 114.58 120.82 3mr6 h GLU 101 Ca 0.30 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3mr6 h GLU 101 Cb -0.02 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3mr6 h GLU 101 CO -0.05 0.93 0.09 0.82 -1.00 0.00 0.00 179.01 179.80 3mr6 h ILE 102 N 0.93 1.20 -0.57 3.13 2.04 -1.35 -2.96 117.51 119.93 3mr6 h ILE 102 Ca 0.19 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 3mr6 h ILE 102 Cb 0.43 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3mr6 h ILE 102 CO 0.01 0.21 0.11 0.24 0.00 0.00 0.00 178.15 178.73 3mr6 h MET 103 N 0.30 0.89 0.00 2.37 2.86 -1.23 -2.42 114.93 117.70 3mr6 h MET 103 Ca 0.09 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3mr6 h MET 103 Cb 0.23 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3mr6 h MET 103 CO -0.00 0.81 0.00 -1.13 1.06 0.00 0.00 176.91 177.65 3mr6 n SER 104 N -4.25 0.53 -0.01 1.22 3.41 -0.46 -1.52 113.62 112.55 3mr6 n SER 104 Ca 0.04 0.68 -0.04 0.00 -0.26 0.00 0.00 58.87 59.29 3mr6 n SER 104 Cb 0.25 -0.78 0.19 0.00 -0.26 0.00 0.00 64.21 63.61 3mr6 n SER 104 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3mr6 h ARG 105 N 0.00 0.54 0.13 4.33 3.08 -1.38 -3.28 114.38 117.80 3mr6 h ARG 105 Ca 0.00 -0.20 -0.31 0.00 0.07 0.00 0.00 59.98 59.55 3mr6 h ARG 105 Cb 0.18 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 3mr6 h ARG 105 CO 0.00 0.72 -1.50 0.74 -1.07 0.00 0.00 179.97 178.86 3mr6 h PHE 106 N 0.48 0.50 -2.36 3.04 -1.00 -1.42 -3.49 116.94 112.69 3mr6 h PHE 106 Ca 0.07 -0.36 0.21 0.00 2.81 0.00 0.00 57.97 60.70 3mr6 h PHE 106 Cb 0.64 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 40.13 3mr6 h PHE 106 CO 0.02 1.39 0.66 0.00 -1.61 0.00 0.00 178.31 178.78 3mr6 s ALA 107 N -2.62 -1.82 0.22 2.45 0.00 -1.19 -4.93 121.76 113.86 3mr6 s ALA 107 Ca -0.09 -0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.42 3mr6 s ALA 107 Cb 0.07 0.75 -0.10 0.00 0.00 0.00 0.00 23.12 23.83 3mr6 s ALA 107 CO 0.86 -1.08 1.50 0.14 0.00 0.00 0.00 175.76 177.18 3mr6 s VAL 108 N -2.26 2.60 0.08 0.00 -7.23 -1.26 -4.38 120.40 107.95 3mr6 s VAL 108 Ca 0.22 0.47 0.06 0.00 -1.81 0.00 0.00 61.98 60.92 3mr6 s VAL 108 Cb -0.02 -3.30 -0.03 0.00 0.56 0.00 0.00 36.38 33.59 3mr6 s VAL 108 CO 0.03 0.06 -0.15 0.27 -0.31 0.00 0.00 175.10 175.00 3mr6 s ILE 109 N 0.46 1.19 -0.28 -0.62 -4.36 -1.26 -3.13 121.20 113.20 3mr6 s ILE 109 Ca 0.64 -1.34 -0.03 0.00 -0.26 0.00 0.00 60.65 59.65 3mr6 s ILE 109 Cb -0.43 -1.14 0.03 0.00 1.25 0.00 0.00 42.46 42.17 3mr6 s ILE 109 CO 0.39 -0.21 0.00 -0.70 0.24 0.00 0.00 174.94 174.66 3mr6 s GLU 110 N -1.77 2.75 -0.24 0.37 2.12 -0.73 -2.00 118.70 119.19 3mr6 s GLU 110 Ca -0.01 -1.06 -0.29 0.00 0.36 0.00 0.00 54.97 53.98 3mr6 s GLU 110 Cb -0.10 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 3mr6 s GLU 110 CO 0.03 -0.50 1.77 0.50 -0.54 0.00 0.00 175.26 176.51 3mr6 s ARG 111 N 1.35 3.60 0.09 4.30 3.52 0.40 -1.36 118.95 130.85 3mr6 s ARG 111 Ca -0.01 1.69 0.22 0.00 -0.13 0.00 0.00 55.73 57.51 3mr6 s ARG 111 Cb -0.18 -4.13 -0.16 0.00 -1.56 0.00 0.00 34.95 28.92 3mr6 s ARG 111 CO -0.01 -1.54 0.78 0.00 -0.81 0.00 0.00 175.30 173.72 3mr6 n ALA 112 N 9.32 2.69 -3.89 6.12 0.00 -0.59 -4.98 120.51 129.19 3mr6 n ALA 112 Ca 0.21 -0.37 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 3mr6 n ALA 112 Cb 0.45 -0.93 0.02 0.00 0.00 0.00 0.00 19.45 18.99 3mr6 n ALA 112 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3mr6 s SER 113 N -4.91 0.02 0.62 0.00 1.04 -1.07 -4.95 113.70 104.45 3mr6 s SER 113 Ca -0.04 -0.75 0.41 0.00 0.48 0.00 0.00 55.95 56.04 3mr6 s SER 113 Cb 0.12 0.54 2.08 0.00 0.10 0.00 0.00 66.02 68.87 3mr6 s SER 113 CO 0.85 -1.09 2.24 -0.29 0.98 0.00 0.00 173.24 175.93 3mr6 h ILE 114 N 2.00 0.00 0.00 -1.02 2.10 -1.99 -3.18 117.51 115.42 3mr6 h ILE 114 Ca -0.28 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.51 3mr6 h ILE 114 Cb 1.22 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 38.07 3mr6 h ILE 114 CO 0.37 0.00 -0.12 -0.90 -1.08 0.00 0.00 178.15 176.42 3mr6 n ASP 115 N -3.04 1.31 -3.66 2.19 3.85 -1.26 -4.61 116.55 111.33 3mr6 n ASP 115 Ca -0.02 -2.23 -0.12 0.00 -0.71 0.00 0.00 54.79 51.71 3mr6 n ASP 115 Cb 0.14 -0.20 -0.06 0.00 -1.35 0.00 0.00 41.12 39.64 3mr6 n ASP 115 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 3mr6 s GLU 116 N -1.27 0.96 -0.05 0.11 -1.05 -1.20 -1.33 118.70 114.87 3mr6 s GLU 116 Ca 0.12 -0.49 -0.17 0.00 -0.15 0.00 0.00 54.97 54.28 3mr6 s GLU 116 Cb 0.10 0.43 0.03 0.00 -0.44 0.00 0.00 34.13 34.25 3mr6 s GLU 116 CO 0.01 -0.35 0.38 0.00 0.95 0.00 0.00 175.26 176.25 3mr6 s ALA 117 N -2.94 -0.96 0.15 -0.84 0.00 -0.77 -1.55 121.76 114.86 3mr6 s ALA 117 Ca -0.02 0.63 -0.15 0.00 0.00 0.00 0.00 51.96 52.42 3mr6 s ALA 117 Cb 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 23.12 22.95 3mr6 s ALA 117 CO -0.06 -0.26 0.57 0.71 0.00 0.00 0.00 175.76 176.73 3mr6 s TYR 118 N -0.96 3.63 -0.10 0.00 1.51 -0.46 -2.06 117.35 118.91 3mr6 s TYR 118 Ca -0.10 1.12 0.03 0.00 -1.01 0.00 0.00 57.07 57.11 3mr6 s TYR 118 Cb -0.04 -2.41 0.01 0.00 -0.11 0.00 0.00 41.96 39.40 3mr6 s TYR 118 CO 0.04 0.43 -0.18 0.08 -1.11 0.00 0.00 175.55 174.81 3mr6 s VAL 119 N -1.45 1.65 -0.55 0.71 1.01 0.46 -1.78 120.40 120.45 3mr6 s VAL 119 Ca 0.38 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 3mr6 s VAL 119 Cb -0.16 -1.47 0.09 0.00 0.00 0.00 0.00 36.38 34.84 3mr6 s VAL 119 CO 0.19 0.47 0.65 -0.62 0.00 0.00 0.00 175.10 175.79 3mr6 s ASP 120 N 0.66 6.20 -0.04 3.32 -1.08 -1.18 -1.15 116.67 123.40 3mr6 s ASP 120 Ca -0.13 -1.24 0.20 0.00 -0.52 0.00 0.00 52.55 50.86 3mr6 s ASP 120 Cb -0.16 -2.29 0.66 0.00 -1.46 0.00 0.00 42.92 39.67 3mr6 s ASP 120 CO 0.03 -0.99 1.55 0.18 0.52 0.00 0.00 175.17 176.47 3mr6 n LEU 121 N 6.17 4.12 -0.05 -1.34 4.77 0.76 -4.54 117.00 126.88 3mr6 n LEU 121 Ca -0.09 -2.07 -0.08 0.00 -0.03 0.00 0.00 56.01 53.75 3mr6 n LEU 121 Cb 0.44 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 3mr6 n LEU 121 CO 0.56 0.89 0.76 0.74 -1.33 0.00 0.00 177.39 179.01 3mr6 h THR 122 N 4.11 0.56 -0.36 -5.08 2.02 -1.89 -0.28 112.91 111.99 3mr6 h THR 122 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 3mr6 h THR 122 Cb 1.12 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3mr6 h THR 122 CO 0.08 0.00 -0.15 0.28 0.37 0.00 0.00 175.52 176.10 3mr6 h SER 123 N -0.13 0.75 -0.80 4.18 0.02 -1.93 -2.84 113.55 112.79 3mr6 h SER 123 Ca 0.13 -0.40 0.03 0.00 -0.84 0.00 0.00 61.79 60.72 3mr6 h SER 123 Cb 0.34 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 3mr6 h SER 123 CO -0.33 0.98 0.51 0.00 -1.14 0.00 0.00 176.83 176.86 3mr6 h ALA 124 N 0.80 1.05 -0.52 3.77 0.00 -1.77 -1.82 119.26 120.78 3mr6 h ALA 124 Ca 0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3mr6 h ALA 124 Cb 0.68 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3mr6 h ALA 124 CO 0.05 0.34 -0.10 -0.39 0.00 0.00 0.00 179.25 179.15 3mr6 h VAL 125 N 1.01 1.26 -0.79 0.00 -1.51 -1.02 -0.10 116.25 115.10 3mr6 h VAL 125 Ca 0.32 -1.23 -0.03 0.00 -1.23 0.00 0.00 66.70 64.54 3mr6 h VAL 125 Cb -0.00 0.97 -0.04 0.00 -2.13 0.00 0.00 31.29 30.09 3mr6 h VAL 125 CO -0.11 0.43 0.39 -0.61 -1.23 0.00 0.00 177.57 176.44 3mr6 h GLN 126 N 0.86 1.13 -0.41 5.19 5.75 -1.21 0.59 115.11 127.00 3mr6 h GLN 126 Ca 0.14 -0.16 -0.09 0.00 -0.15 0.00 0.00 58.65 58.39 3mr6 h GLN 126 Cb 0.64 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 3mr6 h GLN 126 CO 0.04 0.86 -0.10 1.49 -2.65 0.00 0.00 178.83 178.47 3mr6 h GLU 127 N 1.11 0.79 -0.37 1.69 4.81 -1.15 -1.71 114.58 119.75 3mr6 h GLU 127 Ca 0.27 -0.31 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 3mr6 h GLU 127 Cb 0.10 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3mr6 h GLU 127 CO -0.04 0.92 -0.17 -0.09 -0.73 0.00 0.00 179.01 178.91 3mr6 h ARG 128 N 0.61 0.69 -0.62 1.92 9.65 -0.57 -2.22 114.38 123.84 3mr6 h ARG 128 Ca 0.10 -0.24 -0.04 0.00 -1.10 0.00 0.00 59.98 58.70 3mr6 h ARG 128 Cb 0.63 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.13 3mr6 h ARG 128 CO 0.04 0.82 0.22 -0.07 2.80 0.00 0.00 179.97 183.77 3mr6 h LEU 129 N 0.61 0.88 -0.39 3.80 3.38 0.36 -2.75 115.31 121.21 3mr6 h LEU 129 Ca 0.10 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3mr6 h LEU 129 Cb 0.63 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3mr6 h LEU 129 CO 0.04 0.84 0.24 1.56 0.09 0.00 0.00 178.44 181.21 3mr6 h GLN 130 N 0.87 0.48 -7.12 1.13 4.20 -1.10 -3.23 115.11 110.34 3mr6 h GLN 130 Ca 0.20 -0.03 -0.51 0.00 0.06 0.00 0.00 58.65 58.37 3mr6 h GLN 130 Cb 0.26 -0.11 0.09 0.00 0.30 0.00 0.00 27.48 28.01 3mr6 h GLN 130 CO -0.01 0.32 0.42 0.21 -0.67 0.00 0.00 178.83 179.10 3mr6 s LYS 131 N -6.16 3.12 -1.33 1.46 2.20 -0.86 -3.58 119.74 114.60 3mr6 s LYS 131 Ca -0.13 1.59 -0.11 0.00 -0.36 0.00 0.00 55.97 56.96 3mr6 s LYS 131 Cb 0.11 -1.98 0.00 0.00 -1.51 0.00 0.00 37.83 34.46 3mr6 s LYS 131 CO 0.72 -1.03 0.50 1.47 -0.36 0.00 0.00 175.35 176.65 3mr6 n LEU 132 N -1.67 -1.91 -4.75 5.43 -0.00 -1.26 -4.82 117.00 108.01 3mr6 n LEU 132 Ca 0.12 -1.09 -0.40 0.00 -0.00 0.00 0.00 56.01 54.63 3mr6 n LEU 132 Cb 0.51 -2.09 -0.04 0.00 -0.00 0.00 0.00 43.42 41.80 3mr6 n LEU 132 CO 0.44 0.51 0.78 -1.10 -0.00 0.00 0.00 177.39 178.02 3mr6 s GLN 133 N -6.65 4.65 0.00 1.47 -0.21 -1.22 -3.83 119.66 113.86 3mr6 s GLN 133 Ca 0.20 1.75 0.00 0.00 0.02 0.00 0.00 55.36 57.33 3mr6 s GLN 133 Cb -0.09 -3.22 0.00 0.00 1.00 0.00 0.00 33.01 30.71 3mr6 s GLN 133 CO 0.91 0.22 0.00 0.41 -2.12 0.00 0.00 175.29 174.70 3mr6 n GLY 134 N 1.41 0.00 3.77 3.09 0.00 -1.26 -4.94 105.19 107.26 3mr6 n GLY 134 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3mr6 n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mr6 s GLN 135 N -1.69 4.06 0.29 1.61 -2.07 -1.25 -5.04 119.66 115.57 3mr6 s GLN 135 Ca 0.00 0.14 -0.29 0.00 -1.82 0.00 0.00 55.36 53.39 3mr6 s GLN 135 Cb 0.00 -3.35 -0.13 0.00 -1.09 0.00 0.00 33.01 28.44 3mr6 s GLN 135 CO 0.00 0.42 1.21 -0.35 -1.32 0.00 0.00 175.29 175.25 3mr6 n PRO 136 N 2.96 1.77 -2.95 9.60 -0.04 -1.26 -4.94 135.00 140.14 3mr6 n PRO 136 Ca -0.13 0.62 -0.43 0.00 -0.04 0.00 0.00 63.50 63.52 3mr6 n PRO 136 Cb 0.52 -2.15 -0.05 0.00 -0.04 0.00 0.00 33.50 31.79 3mr6 n PRO 136 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3mr6 s ILE 137 N -0.77 4.67 0.49 0.52 1.01 -1.26 -5.04 121.20 120.82 3mr6 s ILE 137 Ca 0.61 0.65 -0.21 0.00 0.00 0.00 0.00 60.65 61.70 3mr6 s ILE 137 Cb -0.65 -4.28 -0.07 0.00 0.01 0.00 0.00 42.46 37.46 3mr6 s ILE 137 CO 0.58 -0.60 1.11 -0.55 0.00 0.00 0.00 174.94 175.47 3mr6 s SER 138 N 2.02 6.11 0.50 3.58 0.15 -1.26 -4.92 113.70 119.88 3mr6 s SER 138 Ca 0.31 2.13 0.22 0.00 0.70 0.00 0.00 55.95 59.31 3mr6 s SER 138 Cb -0.12 -2.58 1.31 0.00 -1.71 0.00 0.00 66.02 62.91 3mr6 s SER 138 CO 0.20 -0.95 2.06 0.00 1.20 0.00 0.00 173.24 175.75 3mr6 h ALA 139 N 1.65 1.49 0.00 5.45 0.00 -1.96 -1.88 119.26 124.00 3mr6 h ALA 139 Ca -0.50 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 3mr6 h ALA 139 Cb 1.24 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3mr6 h ALA 139 CO 0.59 0.17 -0.01 -0.44 0.00 0.00 0.00 179.25 179.55 3mr6 h ASP 140 N 0.00 0.00 1.00 0.00 3.32 -2.01 0.11 116.42 118.84 3mr6 h ASP 140 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mr6 h ASP 140 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3mr6 h ASP 140 CO 0.02 0.01 0.00 0.18 -1.72 0.00 0.00 179.24 177.73 3mr6 n LEU 141 N -3.74 0.26 -3.13 1.55 4.77 -0.71 -3.93 117.00 112.08 3mr6 n LEU 141 Ca -0.03 0.53 -0.24 0.00 -0.03 0.00 0.00 56.01 56.25 3mr6 n LEU 141 Cb 0.10 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 40.68 3mr6 n LEU 141 CO 0.27 -0.14 -0.05 0.18 -1.33 0.00 0.00 177.39 176.32 3mr6 n LEU 142 N -1.76 2.58 0.27 2.23 4.77 0.38 -4.73 117.00 120.74 3mr6 n LEU 142 Ca 0.06 -5.29 0.13 0.00 -0.03 0.00 0.00 56.01 50.87 3mr6 n LEU 142 Cb 0.32 0.02 0.75 0.00 -2.33 0.00 0.00 43.42 42.18 3mr6 n LEU 142 CO 0.25 2.25 1.00 1.55 -1.33 0.00 0.00 177.39 181.11 3mr6 h PRO 143 N 3.29 0.00 0.00 3.23 0.13 -1.68 -3.15 132.00 133.82 3mr6 h PRO 143 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 3mr6 h PRO 143 Cb 0.73 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 3mr6 h PRO 143 CO 0.67 0.10 -0.21 -1.13 -0.23 0.00 0.00 178.00 177.20 3mr6 n SER 144 N -3.71 1.83 -4.77 1.44 3.41 -1.26 -5.05 113.62 105.50 3mr6 n SER 144 Ca -0.02 -3.03 -0.36 0.00 -0.26 0.00 0.00 58.87 55.20 3mr6 n SER 144 Cb 0.21 -0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 63.67 3mr6 n SER 144 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mr6 s THR 145 N -2.40 5.25 -0.13 6.66 2.01 -1.19 -1.86 115.64 123.99 3mr6 s THR 145 Ca 0.28 0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.38 3mr6 s THR 145 Cb 0.26 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 3mr6 s THR 145 CO -0.00 0.54 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.12 3mr6 s TYR 146 N -0.35 3.03 -0.41 4.92 2.02 0.31 -4.84 117.35 122.02 3mr6 s TYR 146 Ca 0.11 -0.15 -0.16 0.00 -0.37 0.00 0.00 57.07 56.49 3mr6 s TYR 146 Cb -0.12 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.58 3mr6 s TYR 146 CO 0.01 0.12 0.38 0.42 -1.57 0.00 0.00 175.55 174.91 3mr6 s ILE 147 N -0.07 5.16 0.25 2.71 -1.09 -1.26 0.11 121.20 127.01 3mr6 s ILE 147 Ca 0.02 -0.47 -0.31 0.00 -2.23 0.00 0.00 60.65 57.66 3mr6 s ILE 147 Cb -0.13 -3.99 -0.13 0.00 -1.58 0.00 0.00 42.46 36.64 3mr6 s ILE 147 CO 0.03 -0.37 1.51 1.21 -1.23 0.00 0.00 174.94 176.09 3mr6 n GLU 148 N 5.41 2.33 -0.11 2.79 4.07 -0.27 -2.17 120.64 132.69 3mr6 n GLU 148 Ca -0.09 0.83 0.00 0.00 -0.06 0.00 0.00 57.16 57.84 3mr6 n GLU 148 Cb 0.47 -2.56 0.00 0.00 -0.06 0.00 0.00 31.44 29.30 3mr6 n GLU 148 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mr6 n GLY 149 N 2.37 1.14 3.45 8.31 0.00 -1.26 -4.83 105.19 114.37 3mr6 n GLY 149 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 3mr6 n GLY 149 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mr6 s LEU 150 N 0.00 2.53 0.63 0.99 1.43 -0.92 -4.28 118.68 119.05 3mr6 s LEU 150 Ca 0.00 -0.82 -0.13 0.00 -1.03 0.00 0.00 54.13 52.15 3mr6 s LEU 150 Cb 0.00 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 3mr6 s LEU 150 CO 0.00 0.12 1.04 -2.16 0.23 0.00 0.00 176.35 175.58 3mr6 s PRO 151 N -2.70 3.30 0.05 1.29 0.04 -1.26 -4.56 135.00 131.16 3mr6 s PRO 151 Ca 0.21 1.01 -0.02 0.00 0.04 0.00 0.00 61.00 62.25 3mr6 s PRO 151 Cb -0.08 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3mr6 s PRO 151 CO 0.11 -0.81 -0.01 1.14 0.04 0.00 0.00 177.00 177.46 3mr6 s GLN 152 N -4.61 0.60 0.78 4.56 -2.07 -1.26 -4.97 119.66 112.69 3mr6 s GLN 152 Ca 0.60 -1.15 0.00 0.00 -1.82 0.00 0.00 55.36 52.99 3mr6 s GLN 152 Cb -0.14 0.21 0.00 0.00 -1.09 0.00 0.00 33.01 32.00 3mr6 s GLN 152 CO 0.46 -0.12 0.00 0.41 -1.32 0.00 0.00 175.29 174.72 3mr6 n GLY 153 N 0.22 -2.05 3.56 2.60 0.00 -1.26 -5.15 105.19 103.10 3mr6 n GLY 153 Ca -0.15 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 3mr6 n GLY 153 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mr6 s PRO 154 N -0.04 3.39 0.00 1.61 0.04 -1.26 -5.28 135.00 133.47 3mr6 s PRO 154 Ca 0.00 -0.72 0.00 0.00 0.04 0.00 0.00 61.00 60.32 3mr6 s PRO 154 Cb 0.00 -4.86 0.00 0.00 0.04 0.00 0.00 34.50 29.68 3mr6 s PRO 154 CO 0.00 -2.21 0.00 1.33 0.04 0.00 0.00 177.00 176.16 3mr6 n VAL 161 N 6.70 0.00 -4.77 -0.36 0.24 -1.26 -5.28 118.33 113.61 3mr6 n VAL 161 Ca 0.21 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.20 3mr6 n VAL 161 Cb 0.50 1.85 -0.13 0.00 -1.47 0.00 0.00 33.84 34.59 3mr6 n VAL 161 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mr6 s GLN 162 N 0.00 2.04 0.17 7.34 -2.07 -1.26 -5.05 119.66 120.83 3mr6 s GLN 162 Ca 0.00 -0.99 -0.13 0.00 -1.82 0.00 0.00 55.36 52.42 3mr6 s GLN 162 Cb 0.00 -2.14 0.06 0.00 -1.09 0.00 0.00 33.01 29.84 3mr6 s GLN 162 CO 0.00 0.54 1.74 -0.22 -1.32 0.00 0.00 175.29 176.03 3mr6 h LYS 163 N 4.71 0.82 -0.60 9.60 3.64 -2.05 0.38 116.57 133.07 3mr6 h LYS 163 Ca -0.47 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 58.73 3mr6 h LYS 163 Cb 1.15 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 3mr6 h LYS 163 CO 0.47 0.69 0.17 1.49 -2.27 0.00 0.00 179.45 180.00 3mr6 h GLU 164 N 0.76 0.91 -0.76 1.90 4.57 -1.99 0.49 114.58 120.46 3mr6 h GLU 164 Ca 0.19 -0.18 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 3mr6 h GLU 164 Cb 0.16 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 3mr6 h GLU 164 CO -0.02 0.80 0.29 0.78 -1.18 0.00 0.00 179.01 179.67 3mr6 h GLY 165 N 1.01 1.24 1.00 1.92 0.00 -1.81 -1.73 103.07 104.69 3mr6 h GLY 165 Ca 0.20 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3mr6 h GLY 165 CO -0.01 0.65 0.36 1.98 0.00 0.00 0.00 176.54 179.52 3mr6 h MET 166 N 1.11 0.86 -0.34 4.80 1.85 -0.19 -1.57 114.93 121.46 3mr6 h MET 166 Ca 0.25 -0.09 -0.01 0.00 -0.61 0.00 0.00 59.70 59.25 3mr6 h MET 166 Cb 0.24 -0.17 -0.02 0.00 0.43 0.00 0.00 31.60 32.08 3mr6 h MET 166 CO -0.02 0.64 0.19 -0.09 -0.40 0.00 0.00 176.91 177.23 3mr6 h ARG 167 N 0.85 0.47 -0.39 0.39 2.43 -0.52 -2.10 114.38 115.51 3mr6 h ARG 167 Ca 0.22 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3mr6 h ARG 167 Cb 0.01 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3mr6 h ARG 167 CO -0.04 0.39 0.17 0.87 -1.51 0.00 0.00 179.97 179.86 3mr6 h LYS 168 N 0.43 0.58 -0.14 0.20 1.57 -1.14 -0.94 116.57 117.13 3mr6 h LYS 168 Ca 0.12 -0.10 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 3mr6 h LYS 168 Cb 0.06 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.21 3mr6 h LYS 168 CO -0.02 0.53 -0.31 1.96 -0.57 0.00 0.00 179.45 181.04 3mr6 h GLN 169 N 0.49 -0.36 -0.38 3.15 1.08 -1.11 0.29 115.11 118.26 3mr6 h GLN 169 Ca 0.13 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.40 3mr6 h GLN 169 Cb 0.15 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 3mr6 h GLN 169 CO -0.01 -0.24 0.15 0.78 -0.95 0.00 0.00 178.83 178.56 3mr6 h GLY 170 N -0.38 0.50 0.99 3.46 0.00 -1.21 -1.28 103.07 105.14 3mr6 h GLY 170 Ca 0.10 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.35 3mr6 h GLY 170 CO -0.35 0.05 0.51 -2.00 0.00 0.00 0.00 176.54 174.74 3mr6 h LEU 171 N 0.32 0.87 -0.64 3.11 5.85 -0.55 -1.90 115.31 122.38 3mr6 h LEU 171 Ca 0.17 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3mr6 h LEU 171 Cb 0.13 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3mr6 h LEU 171 CO -0.16 0.63 0.29 -0.26 -0.34 0.00 0.00 178.44 178.59 3mr6 h PHE 172 N 1.03 0.94 -0.75 1.25 0.04 0.11 -1.41 116.94 118.15 3mr6 h PHE 172 Ca 0.28 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.99 3mr6 h PHE 172 Cb -0.10 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 37.72 3mr6 h PHE 172 CO -0.02 0.73 0.44 1.96 -0.60 0.00 0.00 178.31 180.82 3mr6 h GLN 173 N 0.89 1.02 0.35 1.51 4.20 -0.86 -0.53 115.11 121.68 3mr6 h GLN 173 Ca 0.22 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 3mr6 h GLN 173 Cb 0.16 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3mr6 h GLN 173 CO -0.02 0.72 -0.17 2.35 -0.67 0.00 0.00 178.83 181.04 3mr6 h TRP 174 N 1.02 -0.43 -0.55 2.96 2.91 -1.00 -2.31 115.95 118.55 3mr6 h TRP 174 Ca 0.27 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.20 3mr6 h TRP 174 Cb -0.03 0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.74 3mr6 h TRP 174 CO -0.01 -0.22 0.02 -0.07 -1.03 0.00 0.00 178.44 177.13 3mr6 h LEU 175 N -0.54 0.89 -1.19 0.65 3.38 -1.20 -1.46 115.31 115.84 3mr6 h LEU 175 Ca -0.05 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.74 3mr6 h LEU 175 Cb 0.41 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3mr6 h LEU 175 CO 0.08 0.94 0.56 0.44 0.09 0.00 0.00 178.44 180.55 3mr6 h ASP 176 N 0.86 0.90 0.85 -0.43 3.32 -1.02 -2.03 116.42 118.87 3mr6 h ASP 176 Ca 0.16 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.02 3mr6 h ASP 176 Cb 0.48 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3mr6 h ASP 176 CO 0.02 0.61 -0.88 0.77 -1.72 0.00 0.00 179.24 178.04 3mr6 h SER 177 N 1.04 0.02 0.68 6.45 4.64 -0.90 -2.96 113.55 122.52 3mr6 h SER 177 Ca 0.34 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.61 3mr6 h SER 177 Cb 0.06 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3mr6 h SER 177 CO -0.11 0.89 -0.33 -0.07 -0.87 0.00 0.00 176.83 176.34 3mr6 h LEU 178 N 0.01 -0.77 -1.76 5.97 3.38 -0.90 0.55 115.31 121.78 3mr6 h LEU 178 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3mr6 h LEU 178 Cb 1.55 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.49 3mr6 h LEU 178 CO 0.12 -0.50 -0.16 0.06 0.09 0.00 0.00 178.44 178.05 3mr6 h GLN 179 N -1.00 0.00 -0.00 1.13 3.07 -1.42 0.15 115.11 117.03 3mr6 h GLN 179 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.65 3mr6 h GLN 179 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.29 3mr6 h GLN 179 CO 0.15 0.16 -0.00 -0.89 0.09 0.00 0.00 178.83 178.34 3mr6 n ILE 180 N -3.72 0.00 -2.90 1.86 5.41 -1.12 -4.88 119.36 114.01 3mr6 n ILE 180 Ca -0.02 -0.06 -0.12 0.00 1.00 0.00 0.00 62.75 63.55 3mr6 n ILE 180 Cb 0.27 -0.25 0.03 0.00 -0.71 0.00 0.00 39.64 38.98 3mr6 n ILE 180 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3mr6 n ASP 181 N -0.71 -4.15 -1.07 4.38 8.00 0.54 -4.93 116.55 118.62 3mr6 n ASP 181 Ca 0.23 -0.23 0.09 0.00 0.71 0.00 0.00 54.79 55.59 3mr6 n ASP 181 Cb 0.17 -2.85 0.25 0.00 -0.02 0.00 0.00 41.12 38.68 3mr6 n ASP 181 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3mr6 n ASN 182 N -0.69 3.54 0.00 -2.24 3.02 0.19 -4.91 115.26 114.17 3mr6 n ASN 182 Ca -0.02 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 3mr6 n ASN 182 Cb 0.54 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 3mr6 n ASN 182 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3mr6 n LEU 183 N 1.20 0.00 -4.38 3.41 4.77 -1.16 -4.88 117.00 115.96 3mr6 n LEU 183 Ca 0.19 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.98 3mr6 n LEU 183 Cb 0.54 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 3mr6 n LEU 183 CO 0.13 0.00 -0.34 0.42 -1.33 0.00 0.00 177.39 176.28 3mr6 s THR 184 N 3.90 1.26 0.38 -5.08 -4.23 -1.26 -4.99 115.64 105.62 3mr6 s THR 184 Ca 0.00 -2.06 0.06 0.00 -1.18 0.00 0.00 61.69 58.51 3mr6 s THR 184 Cb 0.00 -2.42 0.29 0.00 1.34 0.00 0.00 72.50 71.70 3mr6 s THR 184 CO 0.00 -0.29 1.99 0.77 -0.54 0.00 0.00 174.62 176.55 3mr6 h SER 185 N 2.37 0.61 -0.73 3.99 4.64 -2.00 -0.76 113.55 121.67 3mr6 h SER 185 Ca -0.39 -0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.95 3mr6 h SER 185 Cb 1.23 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 63.14 3mr6 h SER 185 CO 0.66 0.41 0.47 -0.65 -0.87 0.00 0.00 176.83 176.85 3mr6 h PRO 186 N 0.70 0.89 -0.48 4.77 0.11 -1.95 0.33 132.00 136.39 3mr6 h PRO 186 Ca 0.27 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.29 3mr6 h PRO 186 Cb 0.17 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 3mr6 h PRO 186 CO -0.08 0.59 0.15 -0.44 -0.21 0.00 0.00 178.00 178.01 3mr6 h ASP 187 N 0.92 0.69 -0.67 -2.05 3.32 -1.74 -1.00 116.42 115.89 3mr6 h ASP 187 Ca 0.28 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 57.14 3mr6 h ASP 187 Cb -0.02 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3mr6 h ASP 187 CO -0.09 0.71 0.44 0.25 -1.72 0.00 0.00 179.24 178.83 3mr6 h LEU 188 N 0.63 0.77 -0.56 1.55 5.85 -0.54 -1.34 115.31 121.68 3mr6 h LEU 188 Ca 0.15 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3mr6 h LEU 188 Cb 0.27 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3mr6 h LEU 188 CO -0.00 0.56 0.33 1.56 -0.34 0.00 0.00 178.44 180.55 3mr6 h GLN 189 N 0.91 0.76 -0.77 1.25 4.20 -0.05 -1.23 115.11 120.18 3mr6 h GLN 189 Ca 0.25 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.89 3mr6 h GLN 189 Cb -0.10 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.48 3mr6 h GLN 189 CO -0.05 0.56 0.51 -0.07 -0.67 0.00 0.00 178.83 179.11 3mr6 h LEU 190 N 0.75 0.88 -0.24 1.46 3.38 -0.88 -0.34 115.31 120.32 3mr6 h LEU 190 Ca 0.20 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.16 3mr6 h LEU 190 Cb 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3mr6 h LEU 190 CO -0.04 0.63 0.12 0.74 0.09 0.00 0.00 178.44 179.98 3mr6 h THR 191 N 1.03 1.00 -0.90 0.22 2.02 -0.64 0.15 112.91 115.79 3mr6 h THR 191 Ca 0.29 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 3mr6 h THR 191 Cb -0.10 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 3mr6 h THR 191 CO -0.07 0.05 0.50 0.58 0.37 0.00 0.00 175.52 176.94 3mr6 h VAL 192 N 0.25 1.26 -1.00 3.16 2.07 -1.02 -1.16 116.25 119.81 3mr6 h VAL 192 Ca 0.10 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.01 3mr6 h VAL 192 Cb 0.02 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 29.77 3mr6 h VAL 192 CO -0.07 0.29 0.66 1.23 0.02 0.00 0.00 177.57 179.71 3mr6 h GLY 193 N 1.27 1.47 1.01 2.17 0.00 -0.23 -1.46 103.07 107.28 3mr6 h GLY 193 Ca 0.32 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3mr6 h GLY 193 CO -0.05 0.43 0.45 0.00 0.00 0.00 0.00 176.54 177.37 3mr6 h ALA 194 N 1.41 0.92 -0.42 3.60 0.00 0.16 -0.68 119.26 124.25 3mr6 h ALA 194 Ca 0.40 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.26 3mr6 h ALA 194 Cb -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3mr6 h ALA 194 CO -0.12 0.36 0.24 0.28 0.00 0.00 0.00 179.25 180.01 3mr6 h VAL 195 N 0.98 1.02 -0.61 0.00 2.07 -0.32 -0.39 116.25 119.00 3mr6 h VAL 195 Ca 0.26 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 3mr6 h VAL 195 Cb -0.07 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 3mr6 h VAL 195 CO -0.05 0.09 0.31 0.40 0.02 0.00 0.00 177.57 178.33 3mr6 h ILE 196 N 0.48 1.21 -0.31 4.57 2.04 -0.90 -2.51 117.51 122.09 3mr6 h ILE 196 Ca 0.17 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 3mr6 h ILE 196 Cb 0.03 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 3mr6 h ILE 196 CO -0.09 0.24 -0.01 0.58 0.00 0.00 0.00 178.15 178.86 3mr6 h VAL 197 N 0.83 1.19 -0.59 1.67 2.07 -0.74 0.17 116.25 120.86 3mr6 h VAL 197 Ca 0.21 -0.77 0.05 0.00 0.82 0.00 0.00 66.70 67.01 3mr6 h VAL 197 Cb 0.09 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3mr6 h VAL 197 CO -0.03 0.26 0.31 -0.33 0.02 0.00 0.00 177.57 177.80 3mr6 h GLU 198 N 0.47 0.56 -0.32 1.57 4.39 -0.67 0.63 114.58 121.21 3mr6 h GLU 198 Ca 0.10 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 3mr6 h GLU 198 Cb 0.33 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3mr6 h GLU 198 CO 0.01 0.37 0.18 0.93 -1.16 0.00 0.00 179.01 179.35 3mr6 h GLU 199 N 0.58 0.45 -0.11 2.33 5.08 -0.77 -0.07 114.58 122.07 3mr6 h GLU 199 Ca 0.26 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 3mr6 h GLU 199 Cb 0.17 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3mr6 h GLU 199 CO -0.18 0.37 -0.04 0.52 -1.00 0.00 0.00 179.01 178.68 3mr6 h MET 200 N 0.40 -0.03 -0.30 2.33 2.86 -0.26 -0.83 114.93 119.11 3mr6 h MET 200 Ca 0.11 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 3mr6 h MET 200 Cb 0.05 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3mr6 h MET 200 CO -0.02 -0.02 -0.12 0.00 1.06 0.00 0.00 176.91 177.82 3mr6 h ARG 201 N -0.03 0.51 -0.55 1.72 3.08 -0.70 -0.96 114.38 117.44 3mr6 h ARG 201 Ca 0.06 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 3mr6 h ARG 201 Cb 0.12 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3mr6 h ARG 201 CO -0.13 0.62 0.09 0.00 -1.07 0.00 0.00 179.97 179.48 3mr6 h ALA 202 N 1.41 0.73 -0.37 0.04 0.00 -0.63 -2.02 119.26 118.42 3mr6 h ALA 202 Ca 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3mr6 h ALA 202 Cb 0.49 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3mr6 h ALA 202 CO 0.03 0.48 0.19 0.00 0.00 0.00 0.00 179.25 179.94 3mr6 h ALA 203 N 0.99 0.48 -0.43 0.00 0.00 -0.63 0.56 119.26 120.24 3mr6 h ALA 203 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3mr6 h ALA 203 Cb 0.41 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3mr6 h ALA 203 CO 0.01 0.03 0.27 0.82 0.00 0.00 0.00 179.25 180.39 3mr6 h ILE 204 N 0.47 1.12 -0.35 0.00 2.04 -1.07 -0.63 117.51 119.09 3mr6 h ILE 204 Ca 0.13 -0.24 -0.11 0.00 1.00 0.00 0.00 64.86 65.64 3mr6 h ILE 204 Cb 0.10 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3mr6 h ILE 204 CO -0.02 0.12 -0.21 -0.08 0.00 0.00 0.00 178.15 177.96 3mr6 h GLU 205 N 0.57 0.76 -0.75 2.37 4.81 -1.15 0.09 114.58 121.28 3mr6 h GLU 205 Ca 0.16 -0.35 -0.06 0.00 -0.13 0.00 0.00 59.36 58.98 3mr6 h GLU 205 Cb -0.04 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 3mr6 h GLU 205 CO -0.03 0.97 0.25 0.00 -0.73 0.00 0.00 179.01 179.47 3mr6 h ARG 206 N 0.54 1.15 0.00 1.92 3.08 -0.74 0.15 114.38 120.47 3mr6 h ARG 206 Ca 0.07 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3mr6 h ARG 206 Cb 0.76 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3mr6 h ARG 206 CO 0.06 0.97 -0.88 0.39 -1.07 0.00 0.00 179.97 179.44 3mr6 n GLU 207 N -4.27 0.45 0.00 0.04 1.02 -0.26 -4.43 120.64 113.19 3mr6 n GLU 207 Ca 0.06 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 3mr6 n GLU 207 Cb 0.22 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 3mr6 n GLU 207 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3mr6 n THR 208 N -2.38 0.00 -0.18 2.62 -2.24 0.01 -5.00 114.28 107.11 3mr6 n THR 208 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3mr6 n THR 208 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 3mr6 n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mr6 n GLY 209 N 2.15 1.20 3.79 3.38 0.00 0.52 -5.03 105.19 111.19 3mr6 n GLY 209 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3mr6 n GLY 209 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mr6 s PHE 210 N -2.67 3.73 0.17 1.61 2.99 -1.26 -4.96 117.98 117.59 3mr6 s PHE 210 Ca 0.00 1.17 -0.01 0.00 0.00 0.00 0.00 56.93 58.09 3mr6 s PHE 210 Cb 0.00 -2.51 -0.04 0.00 0.00 0.00 0.00 43.02 40.46 3mr6 s PHE 210 CO 0.00 0.48 0.36 -0.65 -0.00 0.00 0.00 175.22 175.41 3mr6 s GLN 211 N -0.62 3.53 0.16 0.44 -0.21 -1.26 -3.33 119.66 118.37 3mr6 s GLN 211 Ca 0.29 -0.30 -0.10 0.00 0.02 0.00 0.00 55.36 55.26 3mr6 s GLN 211 Cb -0.18 -2.87 -0.00 0.00 1.00 0.00 0.00 33.01 30.96 3mr6 s GLN 211 CO 0.17 0.44 0.32 0.00 -2.12 0.00 0.00 175.29 174.10 3mr6 s SER 213 N -2.94 4.31 0.07 0.00 0.01 -0.77 -4.15 113.70 110.23 3mr6 s SER 213 Ca 0.15 -0.94 -0.16 0.00 1.31 0.00 0.00 55.95 56.30 3mr6 s SER 213 Cb 0.03 -0.58 0.03 0.00 0.21 0.00 0.00 66.02 65.71 3mr6 s SER 213 CO -0.01 -0.26 0.38 0.00 0.41 0.00 0.00 173.24 173.75 3mr6 s ALA 214 N -2.50 -0.89 -0.04 1.44 0.00 -1.07 -1.58 121.76 117.13 3mr6 s ALA 214 Ca 0.36 0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.49 3mr6 s ALA 214 Cb -0.01 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.54 3mr6 s ALA 214 CO 0.20 -0.50 -0.23 0.20 0.00 0.00 0.00 175.76 175.43 3mr6 s GLY 215 N -2.26 1.19 -0.13 0.00 0.00 -0.30 -0.14 107.32 105.69 3mr6 s GLY 215 Ca -0.03 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.73 3mr6 s GLY 215 CO -0.05 -0.66 -0.20 -0.42 0.00 0.00 0.00 173.10 171.77 3mr6 s ILE 216 N -0.24 1.88 0.00 0.90 1.09 -0.07 -0.91 121.20 123.85 3mr6 s ILE 216 Ca 0.00 -0.87 0.00 0.00 -1.10 0.00 0.00 60.65 58.68 3mr6 s ILE 216 Cb -0.12 -1.68 0.00 0.00 -1.06 0.00 0.00 42.46 39.60 3mr6 s ILE 216 CO 0.02 0.52 0.00 -0.24 -0.10 0.00 0.00 174.94 175.14 3mr6 n SER 217 N 4.13 0.00 -0.46 3.58 2.88 -0.17 -1.51 113.62 122.07 3mr6 n SER 217 Ca -0.20 -0.15 0.12 0.00 -1.33 0.00 0.00 58.87 57.31 3mr6 n SER 217 Cb 0.51 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.10 3mr6 n SER 217 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3mr6 n HIS 218 N 0.00 0.00 -3.92 0.66 8.25 -1.26 -0.31 115.22 118.64 3mr6 n HIS 218 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 3mr6 n HIS 218 Cb 0.00 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.04 3mr6 n HIS 218 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3mr6 s ASN 219 N -2.43 -0.18 0.10 0.41 2.20 -1.26 -4.35 114.94 109.42 3mr6 s ASN 219 Ca 0.21 -0.75 -0.18 0.00 -0.94 0.00 0.00 52.86 51.21 3mr6 s ASN 219 Cb 0.19 0.66 -0.06 0.00 -2.00 0.00 0.00 41.25 40.04 3mr6 s ASN 219 CO 0.53 -1.25 1.55 0.11 -2.94 0.00 0.00 177.10 175.10 3mr6 h LYS 220 N 2.12 0.50 -0.29 3.55 1.57 -1.90 -1.18 116.57 120.94 3mr6 h LYS 220 Ca -0.22 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.42 3mr6 h LYS 220 Cb 1.25 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 3mr6 h LYS 220 CO 0.29 0.63 0.17 0.28 -0.57 0.00 0.00 179.45 180.25 3mr6 h VAL 221 N 0.30 1.04 -0.46 0.50 2.07 -1.97 -0.08 116.25 117.64 3mr6 h VAL 221 Ca 0.09 -0.12 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 3mr6 h VAL 221 Cb 0.39 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3mr6 h VAL 221 CO 0.01 0.06 -0.16 -0.07 0.02 0.00 0.00 177.57 177.43 3mr6 h LEU 222 N 0.36 0.90 -0.26 2.57 3.38 -1.94 -1.04 115.31 119.28 3mr6 h LEU 222 Ca 0.11 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3mr6 h LEU 222 Cb -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3mr6 h LEU 222 CO -0.05 1.06 0.13 0.00 0.09 0.00 0.00 178.44 179.67 3mr6 h ALA 223 N 1.02 0.34 -0.60 1.53 0.00 -0.93 0.70 119.26 121.31 3mr6 h ALA 223 Ca 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3mr6 h ALA 223 Cb 0.70 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3mr6 h ALA 223 CO 0.05 -0.11 0.36 -0.22 0.00 0.00 0.00 179.25 179.34 3mr6 h LYS 224 N 0.30 0.82 -0.44 0.00 1.63 -0.88 -0.82 116.57 117.17 3mr6 h LYS 224 Ca 0.09 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 3mr6 h LYS 224 Cb 0.11 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 3mr6 h LYS 224 CO -0.01 0.59 0.18 1.25 -3.45 0.00 0.00 179.45 178.01 3mr6 h LEU 225 N 0.81 0.60 -1.24 5.20 5.85 -1.03 -2.87 115.31 122.63 3mr6 h LEU 225 Ca 0.22 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3mr6 h LEU 225 Cb -0.02 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3mr6 h LEU 225 CO -0.04 0.59 0.41 0.00 -0.34 0.00 0.00 178.44 179.06 3mr6 h ALA 226 N 1.03 1.44 -0.82 1.25 0.00 -0.47 -2.78 119.26 118.90 3mr6 h ALA 226 Ca 0.15 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3mr6 h ALA 226 Cb 0.17 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3mr6 h ALA 226 CO -0.01 0.49 0.52 0.00 0.00 0.00 0.00 179.25 180.24 3mr6 n GLY 228 N -1.32 -1.52 0.29 0.00 0.00 -1.05 -3.76 105.19 97.83 3mr6 n GLY 228 Ca 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 3mr6 n GLY 228 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mr6 h LEU 229 N 0.00 0.63 -2.78 0.99 3.38 -1.43 -3.30 115.31 112.80 3mr6 h LEU 229 Ca 0.00 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3mr6 h LEU 229 Cb 0.57 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.03 3mr6 h LEU 229 CO 0.00 0.65 -0.57 0.59 0.09 0.00 0.00 178.44 179.20 3mr6 n ASN 230 N -4.28 1.24 -4.75 -0.43 3.02 -1.25 -5.06 115.26 103.74 3mr6 n ASN 230 Ca 0.03 -2.74 -0.37 0.00 -0.03 0.00 0.00 54.58 51.47 3mr6 n ASN 230 Cb 0.23 -0.37 0.04 0.00 -0.61 0.00 0.00 39.78 39.07 3mr6 n ASN 230 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mr6 s LYS 231 N -1.45 3.12 0.37 3.52 1.02 -1.25 -3.98 119.74 121.10 3mr6 s LYS 231 Ca 0.27 2.05 0.07 0.00 0.02 0.00 0.00 55.97 58.38 3mr6 s LYS 231 Cb 0.28 -2.15 -0.00 0.00 -0.52 0.00 0.00 37.83 35.43 3mr6 s LYS 231 CO -0.07 -1.15 0.51 -1.25 -0.92 0.00 0.00 175.35 172.48 3mr6 s PRO 232 N -3.03 3.00 -1.40 -1.68 0.04 -1.26 -4.95 135.00 125.72 3mr6 s PRO 232 Ca 0.73 -1.10 -0.08 0.00 0.04 0.00 0.00 61.00 60.60 3mr6 s PRO 232 Cb -0.36 -2.79 0.05 0.00 0.04 0.00 0.00 34.50 31.43 3mr6 s PRO 232 CO 0.41 -0.07 0.57 -1.71 0.04 0.00 0.00 177.00 176.24 3mr6 n ASN 233 N -1.73 -4.72 -4.00 6.66 5.15 -1.26 -4.96 115.26 110.40 3mr6 n ASN 233 Ca 0.03 -0.37 -0.08 0.00 -0.60 0.00 0.00 54.58 53.55 3mr6 n ASN 233 Cb 0.58 -3.85 -0.10 0.00 -0.53 0.00 0.00 39.78 35.89 3mr6 n ASN 233 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3mr6 s ARG 234 N -5.94 0.56 0.09 1.20 1.81 -1.26 -4.97 118.95 110.45 3mr6 s ARG 234 Ca 0.38 -0.93 0.09 0.00 -1.72 0.00 0.00 55.73 53.55 3mr6 s ARG 234 Cb -0.19 0.21 -0.03 0.00 -0.45 0.00 0.00 34.95 34.48 3mr6 s ARG 234 CO 0.47 -0.12 -0.23 1.14 -0.68 0.00 0.00 175.30 175.88 3mr6 s GLN 235 N -2.99 1.31 -0.05 3.54 -2.07 -0.78 -2.60 119.66 116.02 3mr6 s GLN 235 Ca -0.02 -1.15 0.03 0.00 -1.82 0.00 0.00 55.36 52.40 3mr6 s GLN 235 Cb 0.01 -1.58 0.01 0.00 -1.09 0.00 0.00 33.01 30.36 3mr6 s GLN 235 CO -0.06 0.38 -0.14 0.99 -1.32 0.00 0.00 175.29 175.14 3mr6 s THR 236 N -1.02 1.21 -0.31 3.63 2.01 0.80 -0.53 115.64 121.43 3mr6 s THR 236 Ca 0.09 -0.56 -0.13 0.00 0.31 0.00 0.00 61.69 61.40 3mr6 s THR 236 Cb -0.10 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 3mr6 s THR 236 CO 0.04 0.36 0.29 -0.22 -0.69 0.00 0.00 174.62 174.40 3mr6 s LEU 237 N 0.36 4.23 -0.36 4.42 0.20 0.12 -0.90 118.68 126.75 3mr6 s LEU 237 Ca -0.09 -0.08 -0.03 0.00 0.69 0.00 0.00 54.13 54.63 3mr6 s LEU 237 Cb -0.13 -2.25 0.08 0.00 -0.43 0.00 0.00 46.19 43.45 3mr6 s LEU 237 CO 0.03 -0.19 0.12 -0.69 -0.29 0.00 0.00 176.35 175.32 3mr6 s VAL 238 N 1.90 3.20 0.70 1.68 1.01 -0.57 -1.12 120.40 127.20 3mr6 s VAL 238 Ca 0.10 -1.74 -0.11 0.00 0.00 0.00 0.00 61.98 60.23 3mr6 s VAL 238 Cb -0.16 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.19 3mr6 s VAL 238 CO 0.11 -0.43 1.07 -0.94 0.00 0.00 0.00 175.10 174.91 3mr6 s SER 239 N 1.55 5.46 0.29 3.32 1.04 -1.26 -4.46 113.70 119.64 3mr6 s SER 239 Ca 0.03 1.37 0.00 0.00 0.48 0.00 0.00 55.95 57.83 3mr6 s SER 239 Cb -0.21 -2.25 0.51 0.00 0.10 0.00 0.00 66.02 64.17 3mr6 s SER 239 CO -0.03 -1.36 1.90 -0.74 0.98 0.00 0.00 173.24 173.99 3mr6 h HIS 240 N -0.66 1.08 -0.01 5.02 2.76 -1.96 -2.53 115.15 118.85 3mr6 h HIS 240 Ca -0.45 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 57.70 3mr6 h HIS 240 Cb 1.23 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.82 3mr6 h HIS 240 CO 0.57 0.56 -0.26 0.78 -1.30 0.00 0.00 177.93 178.28 3mr6 h GLY 241 N 1.06 0.01 1.79 5.26 0.00 -2.00 -2.72 103.07 106.48 3mr6 h GLY 241 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3mr6 h GLY 241 CO -0.16 0.01 0.00 -1.14 0.00 0.00 0.00 176.54 175.25 3mr6 n SER 242 N -4.23 0.00 -0.00 0.19 3.41 -0.95 -4.15 113.62 107.89 3mr6 n SER 242 Ca -0.02 0.20 -0.12 0.00 -0.26 0.00 0.00 58.87 58.67 3mr6 n SER 242 Cb 0.31 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.79 3mr6 n SER 242 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3mr6 h VAL 243 N 0.00 1.19 -0.36 -3.33 2.07 -1.55 -1.24 116.25 113.02 3mr6 h VAL 243 Ca 0.00 -0.56 0.08 0.00 0.82 0.00 0.00 66.70 67.04 3mr6 h VAL 243 Cb 0.37 1.48 -0.08 0.00 -1.52 0.00 0.00 31.29 31.54 3mr6 h VAL 243 CO 0.00 0.15 -0.15 -0.65 0.02 0.00 0.00 177.57 176.95 3mr6 h PRO 244 N -0.14 -0.07 -0.32 1.57 0.11 -1.80 0.24 132.00 131.58 3mr6 h PRO 244 Ca 0.01 0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.95 3mr6 h PRO 244 Cb 0.23 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 3mr6 h PRO 244 CO 0.00 -0.05 -0.49 0.37 -0.21 0.00 0.00 178.00 177.62 3mr6 h GLN 245 N -0.08 0.90 -0.62 1.05 5.75 -1.83 -2.17 115.11 118.13 3mr6 h GLN 245 Ca 0.18 -0.54 0.02 0.00 -0.15 0.00 0.00 58.65 58.16 3mr6 h GLN 245 Cb 0.35 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 3mr6 h GLN 245 CO -0.41 1.18 0.39 1.25 -2.65 0.00 0.00 178.83 178.59 3mr6 h LEU 246 N 0.70 0.67 -0.02 -2.39 5.85 -0.66 -2.65 115.31 116.81 3mr6 h LEU 246 Ca 0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3mr6 h LEU 246 Cb 1.10 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3mr6 h LEU 246 CO 0.11 0.47 0.00 -0.26 -0.34 0.00 0.00 178.44 178.43 3mr6 h PHE 247 N 0.79 0.00 -0.07 1.25 0.05 -0.54 -3.25 116.94 115.17 3mr6 h PHE 247 Ca 0.24 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 62.02 3mr6 h PHE 247 Cb -0.04 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 37.90 3mr6 h PHE 247 CO -0.04 0.00 0.01 0.66 -0.18 0.00 0.00 178.31 178.76 3mr6 h SER 248 N 0.00 0.08 0.00 2.17 4.64 -1.00 -1.04 113.55 118.40 3mr6 h SER 248 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mr6 h SER 248 Cb 0.84 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3mr6 h SER 248 CO 0.00 0.10 -0.10 0.00 -0.87 0.00 0.00 176.83 175.96 3mr6 n GLN 249 N -4.48 1.17 -3.03 4.77 6.02 -1.25 -4.75 117.38 115.83 3mr6 n GLN 249 Ca -0.02 -2.11 -0.42 0.00 -0.01 0.00 0.00 57.00 54.44 3mr6 n GLN 249 Cb 0.12 -1.23 -0.06 0.00 1.02 0.00 0.00 30.24 30.09 3mr6 n GLN 249 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3mr6 s MET 250 N -2.06 3.65 0.32 -1.09 1.75 -1.07 -4.98 119.30 115.82 3mr6 s MET 250 Ca 0.22 0.11 -0.29 0.00 -1.25 0.00 0.00 55.69 54.48 3mr6 s MET 250 Cb 0.19 -3.83 -0.12 0.00 2.84 0.00 0.00 34.83 33.90 3mr6 s MET 250 CO 0.02 -0.85 1.34 -2.30 -0.65 0.00 0.00 175.02 172.58 3mr6 n PRO 251 N 6.30 2.19 -0.06 4.11 -0.02 -1.26 -0.78 135.00 145.47 3mr6 n PRO 251 Ca 0.01 0.77 0.11 0.00 -2.02 0.00 0.00 63.50 62.37 3mr6 n PRO 251 Cb 0.48 -2.39 0.50 0.00 -0.02 0.00 0.00 33.50 32.07 3mr6 n PRO 251 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3mr6 h ILE 252 N 2.71 0.93 0.00 4.25 2.04 -1.77 -1.50 117.51 124.17 3mr6 h ILE 252 Ca -0.46 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3mr6 h ILE 252 Cb 1.27 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3mr6 h ILE 252 CO 0.66 0.08 0.00 -2.11 0.00 0.00 0.00 178.15 176.77 3mr6 n ARG 253 N -4.47 0.13 0.19 2.37 1.85 -1.26 -2.50 116.66 112.97 3mr6 n ARG 253 Ca 0.08 0.41 0.06 0.00 -1.00 0.00 0.00 57.85 57.41 3mr6 n ARG 253 Cb 0.32 -1.78 0.28 0.00 -1.05 0.00 0.00 32.46 30.24 3mr6 n ARG 253 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 3mr6 h LYS 254 N 0.00 0.00 -6.77 2.89 1.79 -1.56 -3.30 116.57 109.61 3mr6 h LYS 254 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 3mr6 h LYS 254 Cb 0.28 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.95 3mr6 h LYS 254 CO 0.00 0.35 0.49 0.42 -1.08 0.00 0.00 179.45 179.62 3mr6 s ILE 255 N -3.41 3.53 0.23 1.86 -1.09 -1.04 -4.95 121.20 116.32 3mr6 s ILE 255 Ca 0.02 1.48 -0.32 0.00 -2.23 0.00 0.00 60.65 59.60 3mr6 s ILE 255 Cb 0.09 -3.94 -0.12 0.00 -1.58 0.00 0.00 42.46 36.92 3mr6 s ILE 255 CO 0.69 0.33 1.70 -0.60 -1.23 0.00 0.00 174.94 175.82 3mr6 s ARG 256 N -1.18 4.12 0.00 2.79 3.52 -1.26 -0.74 118.95 126.20 3mr6 s ARG 256 Ca 0.46 2.60 0.00 0.00 -0.13 0.00 0.00 55.73 58.66 3mr6 s ARG 256 Cb -0.32 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 3mr6 s ARG 256 CO 0.40 -0.73 0.00 -1.13 -0.81 0.00 0.00 175.30 173.03 3mr6 n SER 257 N 3.61 0.00 -0.60 -2.12 3.41 -1.26 -4.90 113.62 111.76 3mr6 n SER 257 Ca 0.14 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.81 3mr6 n SER 257 Cb 0.36 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.46 3mr6 n SER 257 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mr6 n LEU 258 N 0.00 3.01 -0.15 1.04 4.77 0.08 -4.58 117.00 121.18 3mr6 n LEU 258 Ca 0.00 -2.25 0.15 0.00 -0.03 0.00 0.00 56.01 53.88 3mr6 n LEU 258 Cb 0.00 -0.28 0.69 0.00 -2.33 0.00 0.00 43.42 41.51 3mr6 n LEU 258 CO 0.00 0.69 0.94 0.61 -1.33 0.00 0.00 177.39 178.31 3mr6 n GLY 259 N 0.13 -0.79 0.00 -0.72 0.00 -1.24 -3.58 105.19 98.98 3mr6 n GLY 259 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3mr6 n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mr6 n GLY 260 N 1.18 4.26 0.23 -0.02 0.00 -1.26 -4.93 105.19 104.66 3mr6 n GLY 260 Ca 0.18 -1.65 -0.06 0.00 0.00 0.00 0.00 46.02 44.49 3mr6 n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mr6 h LYS 261 N 0.00 0.76 -0.10 1.61 1.57 -1.94 -1.63 116.57 116.85 3mr6 h LYS 261 Ca 0.00 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3mr6 h LYS 261 Cb 0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3mr6 h LYS 261 CO 0.00 0.52 0.02 1.25 -0.57 0.00 0.00 179.45 180.67 3mr6 h LEU 262 N 0.78 0.01 -0.84 2.94 5.85 -1.89 0.58 115.31 122.73 3mr6 h LEU 262 Ca 0.21 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.00 3mr6 h LEU 262 Cb -0.07 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3mr6 h LEU 262 CO -0.04 0.02 0.52 1.23 -0.34 0.00 0.00 178.44 179.83 3mr6 h GLY 263 N 0.07 1.25 1.23 3.75 0.00 -1.56 -1.09 103.07 106.71 3mr6 h GLY 263 Ca 0.04 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 3mr6 h GLY 263 CO -0.06 0.27 0.32 0.00 0.00 0.00 0.00 176.54 177.07 3mr6 h ALA 264 N 1.39 1.25 -0.35 3.60 0.00 -0.80 -2.41 119.26 121.94 3mr6 h ALA 264 Ca 0.36 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3mr6 h ALA 264 Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3mr6 h ALA 264 CO -0.16 0.57 -0.31 0.66 0.00 0.00 0.00 179.25 180.01 3mr6 h SER 265 N 0.99 0.78 -0.13 0.00 4.64 0.14 -1.89 113.55 118.07 3mr6 h SER 265 Ca 0.24 -0.31 0.01 0.00 -0.47 0.00 0.00 61.79 61.25 3mr6 h SER 265 Cb 0.13 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 3mr6 h SER 265 CO -0.03 1.03 0.06 0.58 -0.87 0.00 0.00 176.83 177.60 3mr6 h VAL 266 N 0.63 1.00 -0.12 0.95 2.07 -0.84 0.22 116.25 120.16 3mr6 h VAL 266 Ca 0.07 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.56 3mr6 h VAL 266 Cb 0.83 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3mr6 h VAL 266 CO 0.07 0.03 0.04 0.40 0.02 0.00 0.00 177.57 178.12 3mr6 h ILE 267 N 0.14 0.97 -0.03 4.57 2.04 -1.35 -1.53 117.51 122.31 3mr6 h ILE 267 Ca 0.05 -0.03 -0.13 0.00 1.00 0.00 0.00 64.86 65.74 3mr6 h ILE 267 Cb 0.01 0.86 0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3mr6 h ILE 267 CO -0.03 0.02 -0.51 -0.33 0.00 0.00 0.00 178.15 177.30 3mr6 h GLU 268 N 0.10 0.40 -0.43 2.37 4.39 -1.17 0.10 114.58 120.34 3mr6 h GLU 268 Ca 0.05 -0.39 -0.07 0.00 0.34 0.00 0.00 59.36 59.29 3mr6 h GLU 268 Cb 0.03 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3mr6 h GLU 268 CO -0.06 1.05 -0.02 0.82 -1.16 0.00 0.00 179.01 179.64 3mr6 h ILE 269 N -0.11 1.26 0.00 3.13 2.04 -0.59 -3.22 117.51 120.03 3mr6 h ILE 269 Ca -0.05 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.74 3mr6 h ILE 269 Cb 1.20 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 3mr6 h ILE 269 CO 0.10 0.36 -0.65 -0.07 0.00 0.00 0.00 178.15 177.90 3mr6 h LEU 270 N 0.60 0.00 -1.02 1.44 3.38 -1.36 -3.48 115.31 114.87 3mr6 h LEU 270 Ca 0.12 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 3mr6 h LEU 270 Cb 0.52 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.34 3mr6 h LEU 270 CO 0.03 0.04 -0.33 0.61 0.09 0.00 0.00 178.44 178.88 3mr6 n GLY 271 N 1.23 0.22 3.35 0.83 0.00 0.33 -5.05 105.19 106.10 3mr6 n GLY 271 Ca 0.02 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 3mr6 n GLY 271 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mr6 s ILE 272 N -3.15 1.00 0.00 -0.61 -4.36 -0.98 -5.05 121.20 108.04 3mr6 s ILE 272 Ca 0.25 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 3mr6 s ILE 272 Cb -0.11 -2.46 0.00 0.00 1.25 0.00 0.00 42.46 41.14 3mr6 s ILE 272 CO 0.35 -0.23 0.00 -0.62 0.24 0.00 0.00 174.94 174.68 3mr6 n GLU 273 N -0.47 3.06 -4.26 0.37 1.02 -1.26 -4.49 120.64 114.60 3mr6 n GLU 273 Ca -0.04 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.81 3mr6 n GLU 273 Cb 0.65 -0.97 -0.10 0.00 -0.02 0.00 0.00 31.44 31.00 3mr6 n GLU 273 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3mr6 s TYR 274 N -1.94 2.66 0.26 -0.32 4.12 -1.26 -2.26 117.35 118.61 3mr6 s TYR 274 Ca 0.00 -0.20 -0.02 0.00 0.02 0.00 0.00 57.07 56.87 3mr6 s TYR 274 Cb 0.00 -1.37 0.47 0.00 -1.52 0.00 0.00 41.96 39.55 3mr6 s TYR 274 CO 0.00 0.44 1.82 1.98 0.02 0.00 0.00 175.55 179.82 3mr6 h MET 275 N 3.42 0.87 0.00 -0.62 4.05 -1.00 -1.02 114.93 120.63 3mr6 h MET 275 Ca -0.48 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 58.86 3mr6 h MET 275 Cb 1.18 -0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 31.78 3mr6 h MET 275 CO 0.51 0.58 -0.12 0.78 0.23 0.00 0.00 176.91 178.88 3mr6 h GLY 276 N 0.90 0.00 2.00 1.39 0.00 -1.46 -2.17 103.07 103.72 3mr6 h GLY 276 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 3mr6 h GLY 276 CO -0.26 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.46 3mr6 n GLU 277 N -4.05 0.11 0.22 4.80 1.02 -0.39 -2.21 120.64 120.14 3mr6 n GLU 277 Ca -0.02 0.50 0.09 0.00 -0.02 0.00 0.00 57.16 57.71 3mr6 n GLU 277 Cb 0.21 -1.79 0.46 0.00 -0.02 0.00 0.00 31.44 30.29 3mr6 n GLU 277 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3mr6 h LEU 278 N 0.00 0.00 -2.62 -4.62 3.38 -1.52 -3.18 115.31 106.75 3mr6 h LEU 278 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mr6 h LEU 278 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3mr6 h LEU 278 CO 0.00 0.25 -0.01 0.71 0.09 0.00 0.00 178.44 179.48 3mr6 h THR 279 N 0.00 0.16 0.00 0.22 1.35 -1.66 -2.45 112.91 110.54 3mr6 h THR 279 Ca -0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 3mr6 h THR 279 Cb 0.73 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3mr6 h THR 279 CO 0.03 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.31 3mr6 n GLN 280 N -3.29 0.62 -4.25 4.72 10.64 -1.20 -4.79 117.38 119.83 3mr6 n GLN 280 Ca -0.02 0.01 -0.33 0.00 -1.83 0.00 0.00 57.00 54.82 3mr6 n GLN 280 Cb 0.11 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 27.91 3mr6 n GLN 280 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3mr6 s PHE 281 N -2.35 3.15 0.69 2.61 0.08 -0.92 -5.10 117.98 116.15 3mr6 s PHE 281 Ca 0.35 0.14 -0.13 0.00 0.12 0.00 0.00 56.93 57.41 3mr6 s PHE 281 Cb 0.20 -1.72 0.02 0.00 -0.57 0.00 0.00 43.02 40.95 3mr6 s PHE 281 CO 0.41 0.49 1.09 0.95 -0.10 0.00 0.00 175.22 178.06 3mr6 s THR 282 N -1.07 3.43 0.18 0.64 -4.23 -1.26 -4.86 115.64 108.46 3mr6 s THR 282 Ca 0.19 0.57 -0.13 0.00 -1.18 0.00 0.00 61.69 61.14 3mr6 s THR 282 Cb -0.12 -3.10 0.07 0.00 1.34 0.00 0.00 72.50 70.69 3mr6 s THR 282 CO 0.09 -0.50 1.79 -0.08 -0.54 0.00 0.00 174.62 175.38 3mr6 h GLU 283 N -0.40 0.48 -0.83 3.99 4.81 -1.98 -1.53 114.58 119.12 3mr6 h GLU 283 Ca -0.45 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.77 3mr6 h GLU 283 Cb 1.23 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 3mr6 h GLU 283 CO 0.54 0.32 0.55 0.77 -0.73 0.00 0.00 179.01 180.45 3mr6 h SER 284 N 0.49 0.92 -0.04 1.04 0.02 -1.94 0.17 113.55 114.21 3mr6 h SER 284 Ca 0.22 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3mr6 h SER 284 Cb 0.13 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 3mr6 h SER 284 CO -0.15 0.65 0.02 1.56 -1.14 0.00 0.00 176.83 177.77 3mr6 h GLN 285 N 1.08 0.05 -0.71 3.45 4.20 -1.69 -0.05 115.11 121.44 3mr6 h GLN 285 Ca 0.32 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.97 3mr6 h GLN 285 Cb -0.05 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 3mr6 h GLN 285 CO -0.08 0.06 0.23 -0.07 -0.67 0.00 0.00 178.83 178.29 3mr6 h LEU 286 N 0.03 1.02 -0.90 1.46 3.38 -0.68 -2.57 115.31 117.05 3mr6 h LEU 286 Ca 0.01 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3mr6 h LEU 286 Cb 0.02 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3mr6 h LEU 286 CO -0.00 0.95 0.34 1.56 0.09 0.00 0.00 178.44 181.37 3mr6 h GLN 287 N 1.05 1.13 0.00 1.13 4.20 -0.43 -1.26 115.11 120.94 3mr6 h GLN 287 Ca 0.23 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 3mr6 h GLN 287 Cb 0.29 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 3mr6 h GLN 287 CO -0.01 0.90 -0.12 0.66 -0.67 0.00 0.00 178.83 179.59 3mr6 h SER 288 N 1.12 0.00 0.14 1.46 4.64 -0.59 0.99 113.55 121.30 3mr6 h SER 288 Ca 0.26 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.22 3mr6 h SER 288 Cb 0.17 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.21 3mr6 h SER 288 CO -0.03 0.12 -2.17 1.41 -0.87 0.00 0.00 176.83 175.29 3mr6 n HIS 289 N -4.20 0.56 -0.27 4.77 8.25 -0.99 -4.59 115.22 118.75 3mr6 n HIS 289 Ca -0.03 0.15 0.03 0.00 -0.26 0.00 0.00 57.72 57.61 3mr6 n HIS 289 Cb 0.20 -1.08 0.06 0.00 1.12 0.00 0.00 29.99 30.28 3mr6 n HIS 289 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3mr6 n PHE 290 N -3.16 0.10 0.00 4.41 3.72 -0.51 -5.09 117.46 116.92 3mr6 n PHE 290 Ca -0.33 -0.61 0.00 0.00 -0.05 0.00 0.00 57.45 56.45 3mr6 n PHE 290 Cb 1.06 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.52 3mr6 n PHE 290 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mr6 n GLY 291 N -0.56 0.31 0.12 1.37 0.00 0.33 -3.96 105.19 102.81 3mr6 n GLY 291 Ca 0.06 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.24 3mr6 n GLY 291 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3mr6 h GLU 292 N 0.00 0.32 -0.02 1.61 4.81 -1.93 -0.34 114.58 119.02 3mr6 h GLU 292 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3mr6 h GLU 292 Cb 0.00 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 3mr6 h GLU 292 CO 0.00 0.26 -0.02 0.87 -0.73 0.00 0.00 179.01 179.39 3mr6 h LYS 293 N 0.28 0.06 -0.68 1.92 1.57 -1.94 -2.61 116.57 115.18 3mr6 h LYS 293 Ca 0.08 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 3mr6 h LYS 293 Cb 0.03 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3mr6 h LYS 293 CO -0.02 0.52 0.22 -0.91 -0.57 0.00 0.00 179.45 178.69 3mr6 h ASN 294 N -0.40 0.98 -0.39 0.86 2.35 -1.68 -2.15 115.58 115.15 3mr6 h ASN 294 Ca 0.00 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 3mr6 h ASN 294 Cb 0.51 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3mr6 h ASN 294 CO 0.01 0.93 0.16 1.23 -1.65 0.00 0.00 177.43 178.10 3mr6 h GLY 295 N 0.99 0.62 1.08 2.83 0.00 -1.10 -0.97 103.07 106.51 3mr6 h GLY 295 Ca 0.22 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 3mr6 h GLY 295 CO -0.01 0.31 0.40 1.76 0.00 0.00 0.00 176.54 179.00 3mr6 h SER 296 N 0.48 1.07 -0.32 0.19 0.02 -1.36 -1.19 113.55 112.45 3mr6 h SER 296 Ca 0.13 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3mr6 h SER 296 Cb 0.17 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3mr6 h SER 296 CO -0.01 0.90 0.01 -0.25 -1.14 0.00 0.00 176.83 176.34 3mr6 h TRP 297 N 1.17 0.60 -0.42 3.45 7.01 -1.16 -2.59 115.95 124.01 3mr6 h TRP 297 Ca 0.28 -0.10 -0.05 0.00 2.11 0.00 0.00 58.89 61.13 3mr6 h TRP 297 Cb 0.11 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 3mr6 h TRP 297 CO 0.01 0.67 0.08 -0.07 -2.79 0.00 0.00 178.44 176.35 3mr6 h LEU 298 N 0.36 0.67 -0.72 0.65 3.38 -0.99 0.18 115.31 118.83 3mr6 h LEU 298 Ca 0.09 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 57.90 3mr6 h LEU 298 Cb 0.43 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 3mr6 h LEU 298 CO 0.01 0.75 0.37 0.22 0.09 0.00 0.00 178.44 179.89 3mr6 h TYR 299 N 0.56 0.67 0.15 1.13 3.20 -1.17 -0.74 116.97 120.77 3mr6 h TYR 299 Ca 0.13 0.03 -0.31 0.00 3.14 0.00 0.00 58.73 61.72 3mr6 h TYR 299 Cb 0.36 -0.19 0.03 0.00 1.54 0.00 0.00 36.73 38.47 3mr6 h TYR 299 CO 0.02 0.26 -1.29 0.00 -1.64 0.00 0.00 178.16 175.52 3mr6 h ALA 300 N 1.42 -0.05 -0.52 1.82 0.00 -1.32 -3.36 119.26 117.25 3mr6 h ALA 300 Ca 0.35 -0.79 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 3mr6 h ALA 300 Cb 0.33 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3mr6 h ALA 300 CO -0.25 0.67 0.12 1.98 0.00 0.00 0.00 179.25 181.78 3mr6 h MET 301 N 0.23 0.83 0.00 0.00 1.85 -0.00 0.44 114.93 118.27 3mr6 h MET 301 Ca -0.20 -0.20 0.00 0.00 -0.61 0.00 0.00 59.70 58.69 3mr6 h MET 301 Cb 1.97 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 33.89 3mr6 h MET 301 CO 0.25 0.79 0.00 0.00 -0.40 0.00 0.00 176.91 177.55 3mr6 n ARG 303 N -1.82 2.43 -0.97 0.00 1.74 -0.68 -4.76 116.66 112.61 3mr6 n ARG 303 Ca 0.01 -2.19 0.00 0.00 -0.77 0.00 0.00 57.85 54.89 3mr6 n ARG 303 Cb 0.08 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 3mr6 n ARG 303 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mr6 n GLY 304 N 1.20 0.42 3.36 -0.13 0.00 0.11 -5.00 105.19 105.14 3mr6 n GLY 304 Ca 0.17 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 3mr6 n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mr6 s ILE 305 N -2.00 2.97 -0.09 -0.61 1.01 0.06 -4.92 121.20 117.62 3mr6 s ILE 305 Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 59.83 3mr6 s ILE 305 Cb 0.00 -2.24 0.03 0.00 0.01 0.00 0.00 42.46 40.26 3mr6 s ILE 305 CO 0.00 0.53 0.34 -0.70 0.00 0.00 0.00 174.94 175.11 3mr6 s GLU 306 N 0.37 0.50 0.00 2.79 2.12 -1.26 -2.01 118.70 121.21 3mr6 s GLU 306 Ca -0.11 0.26 0.06 0.00 0.36 0.00 0.00 54.97 55.54 3mr6 s GLU 306 Cb -0.16 0.23 0.14 0.00 0.26 0.00 0.00 34.13 34.61 3mr6 s GLU 306 CO 0.06 -0.10 1.04 0.72 -0.54 0.00 0.00 175.26 176.44 3mr6 n HIS 307 N 2.34 0.20 -1.64 5.30 8.25 -1.26 -4.84 115.22 123.57 3mr6 n HIS 307 Ca -0.16 -0.38 -0.43 0.00 -0.26 0.00 0.00 57.72 56.49 3mr6 n HIS 307 Cb 0.57 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 3mr6 n HIS 307 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3mr6 n ASP 308 N 0.14 3.83 -4.79 0.41 2.03 -1.26 -4.93 116.55 111.98 3mr6 n ASP 308 Ca 0.06 0.70 -0.34 0.00 0.52 0.00 0.00 54.79 55.73 3mr6 n ASP 308 Cb 0.30 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.19 3mr6 n ASP 308 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3mr6 s PRO 309 N 5.01 3.34 -0.58 -0.67 0.04 -1.26 -4.67 135.00 136.21 3mr6 s PRO 309 Ca 0.93 1.39 -0.28 0.00 0.04 0.00 0.00 61.00 63.08 3mr6 s PRO 309 Cb -0.43 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.09 3mr6 s PRO 309 CO 0.41 -0.82 1.45 0.08 0.04 0.00 0.00 177.00 178.16 3mr6 s VAL 310 N -2.13 3.74 0.27 -0.36 1.01 -1.26 -4.98 120.40 116.68 3mr6 s VAL 310 Ca 0.68 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 62.97 3mr6 s VAL 310 Cb -0.19 -4.43 -0.10 0.00 0.00 0.00 0.00 36.38 31.67 3mr6 s VAL 310 CO 0.31 -1.20 1.32 -0.54 0.00 0.00 0.00 175.10 174.99 3mr6 s LYS 311 N 5.66 4.37 -1.31 2.72 -0.14 -1.26 -4.85 119.74 124.93 3mr6 s LYS 311 Ca 0.52 2.15 -0.17 0.00 -1.36 0.00 0.00 55.97 57.11 3mr6 s LYS 311 Cb -0.11 -3.13 0.08 0.00 -1.68 0.00 0.00 37.83 32.99 3mr6 s LYS 311 CO 0.24 -0.22 1.78 -0.35 -0.76 0.00 0.00 175.35 176.04 3mr6 n PRO 312 N 1.69 3.18 -3.60 -1.68 -0.04 -1.26 -2.90 135.00 130.39 3mr6 n PRO 312 Ca 0.03 -3.25 -0.23 0.00 -0.04 0.00 0.00 63.50 60.01 3mr6 n PRO 312 Cb 0.42 -3.42 -0.16 0.00 -0.04 0.00 0.00 33.50 30.30 3mr6 n PRO 312 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3mr6 s ARG 313 N 3.79 0.07 0.08 0.54 3.52 -0.85 -5.00 118.95 121.10 3mr6 s ARG 313 Ca 0.52 0.07 0.22 0.00 -0.13 0.00 0.00 55.73 56.41 3mr6 s ARG 313 Cb 0.05 -1.47 -0.16 0.00 -1.56 0.00 0.00 34.95 31.81 3mr6 s ARG 313 CO 0.05 -0.61 0.77 0.94 -0.81 0.00 0.00 175.30 175.64 3mr6 n GLN 314 N 5.29 0.60 -4.26 5.12 7.27 -1.26 -0.45 117.38 129.69 3mr6 n GLN 314 Ca -0.06 -0.04 -0.30 0.00 0.07 0.00 0.00 57.00 56.66 3mr6 n GLN 314 Cb 0.49 -1.66 -0.10 0.00 2.41 0.00 0.00 30.24 31.39 3mr6 n GLN 314 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3mr6 s LEU 315 N -4.82 3.13 0.49 1.69 1.43 -1.26 -4.69 118.68 114.66 3mr6 s LEU 315 Ca -0.04 -0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 52.52 3mr6 s LEU 315 Cb 0.12 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.39 3mr6 s LEU 315 CO 0.85 0.20 1.33 -2.84 0.23 0.00 0.00 176.35 176.11 3mr6 s PRO 316 N -2.07 3.47 0.42 1.29 0.02 -1.26 -4.92 135.00 131.95 3mr6 s PRO 316 Ca 0.21 2.17 0.23 0.00 0.02 0.00 0.00 61.00 63.63 3mr6 s PRO 316 Cb -0.11 -2.43 0.38 0.00 0.02 0.00 0.00 34.50 32.36 3mr6 s PRO 316 CO 0.13 -0.90 1.61 0.87 -0.33 0.00 0.00 177.00 178.38 3mr6 h LYS 317 N 1.89 0.00 -4.60 5.54 1.57 -1.98 -3.46 116.57 115.54 3mr6 h LYS 317 Ca -0.50 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.04 3mr6 h LYS 317 Cb 1.28 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.42 3mr6 h LYS 317 CO 0.59 0.08 -0.71 0.95 -0.57 0.00 0.00 179.45 179.79 3mr6 s THR 318 N -3.21 0.61 -0.23 -0.16 -4.23 -1.26 -4.58 115.64 102.58 3mr6 s THR 318 Ca 0.06 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 3mr6 s THR 318 Cb 0.06 -1.29 0.06 0.00 1.34 0.00 0.00 72.50 72.67 3mr6 s THR 318 CO 0.67 -0.71 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.37 3mr6 s ILE 319 N -2.84 1.41 0.20 2.99 1.01 -0.88 -4.99 121.20 118.10 3mr6 s ILE 319 Ca 0.04 -1.16 0.04 0.00 0.00 0.00 0.00 60.65 59.57 3mr6 s ILE 319 Cb -0.00 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.71 3mr6 s ILE 319 CO -0.03 -0.12 -0.04 -0.83 0.00 0.00 0.00 174.94 173.92 3mr6 s GLY 320 N 1.45 1.39 -0.05 6.18 0.00 -1.26 -0.36 107.32 114.67 3mr6 s GLY 320 Ca -0.05 -1.67 -0.00 0.00 0.00 0.00 0.00 44.72 42.99 3mr6 s GLY 320 CO -0.07 -1.64 -0.02 0.00 0.00 0.00 0.00 173.10 171.37 3mr6 s SER 322 N 1.38 0.18 -0.03 0.00 1.04 -1.26 -1.00 113.70 114.01 3mr6 s SER 322 Ca -0.04 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 55.94 3mr6 s SER 322 Cb -0.13 0.15 0.03 0.00 0.10 0.00 0.00 66.02 66.16 3mr6 s SER 322 CO -0.02 -0.36 0.05 -0.75 0.98 0.00 0.00 173.24 173.14 3mr6 s LYS 323 N -1.67 -0.00 0.09 4.02 2.47 -0.14 -4.97 119.74 119.53 3mr6 s LYS 323 Ca -0.13 0.19 -0.07 0.00 -1.56 0.00 0.00 55.97 54.39 3mr6 s LYS 323 Cb -0.08 -0.18 -0.05 0.00 -1.46 0.00 0.00 37.83 36.06 3mr6 s LYS 323 CO -0.01 -0.13 0.36 -0.80 0.16 0.00 0.00 175.35 174.93 3mr6 s ASN 324 N 0.86 6.56 -0.52 1.43 0.01 -1.26 -1.17 114.94 120.84 3mr6 s ASN 324 Ca -0.07 0.67 0.04 0.00 -0.71 0.00 0.00 52.86 52.78 3mr6 s ASN 324 Cb -0.10 -2.13 0.16 0.00 0.41 0.00 0.00 41.25 39.59 3mr6 s ASN 324 CO -0.03 0.14 0.35 -0.36 -1.51 0.00 0.00 177.10 175.70 3mr6 s PHE 325 N -1.47 2.25 0.62 2.20 0.40 0.27 -4.93 117.98 117.32 3mr6 s PHE 325 Ca 0.35 -2.70 -0.16 0.00 -0.60 0.00 0.00 56.93 53.82 3mr6 s PHE 325 Cb -0.13 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.49 3mr6 s PHE 325 CO 0.20 -0.72 1.11 -2.14 0.70 0.00 0.00 175.22 174.37 3mr6 s PRO 326 N -0.31 3.00 0.84 0.24 0.02 -1.26 -3.45 135.00 134.07 3mr6 s PRO 326 Ca 0.24 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.71 3mr6 s PRO 326 Cb -0.10 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.45 3mr6 s PRO 326 CO -0.11 -1.11 0.00 0.41 -0.33 0.00 0.00 177.00 175.87 3mr6 n GLY 327 N -0.33 2.35 0.00 0.52 0.00 -1.26 -0.61 105.19 105.85 3mr6 n GLY 327 Ca 0.11 0.30 0.08 0.00 0.00 0.00 0.00 46.02 46.51 3mr6 n GLY 327 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3mr6 n LYS 328 N 14.00 0.27 -0.02 1.61 4.81 -1.26 -2.63 118.16 134.94 3mr6 n LYS 328 Ca 0.00 0.12 0.13 0.00 -0.87 0.00 0.00 58.31 57.68 3mr6 n LYS 328 Cb 0.00 -1.50 0.28 0.00 0.02 0.00 0.00 35.03 33.83 3mr6 n LYS 328 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 3mr6 n THR 329 N -1.25 0.06 -1.64 3.15 5.66 0.22 -4.97 114.28 115.50 3mr6 n THR 329 Ca 0.08 -0.42 -0.44 0.00 -3.05 0.00 0.00 64.05 60.22 3mr6 n THR 329 Cb 0.12 1.03 -0.01 0.00 -1.55 0.00 0.00 70.33 69.92 3mr6 n THR 329 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mr6 n ALA 330 N 0.88 0.49 -1.99 1.79 0.00 -1.08 -4.76 120.51 115.84 3mr6 n ALA 330 Ca 0.16 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.56 3mr6 n ALA 330 Cb 0.50 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.79 3mr6 n ALA 330 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mr6 s LEU 331 N -0.25 4.38 0.00 0.00 1.02 -0.33 -4.73 118.68 118.76 3mr6 s LEU 331 Ca 0.57 2.53 0.00 0.00 0.02 0.00 0.00 54.13 57.25 3mr6 s LEU 331 Cb -0.64 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 41.97 3mr6 s LEU 331 CO 0.61 -0.73 0.15 0.00 0.02 0.00 0.00 176.35 176.40 3mr6 n ALA 332 N 3.47 1.11 -2.38 4.21 0.00 -1.26 -0.93 120.51 124.73 3mr6 n ALA 332 Ca 0.11 -0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.21 3mr6 n ALA 332 Cb 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 3mr6 n ALA 332 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3mr6 s THR 333 N -0.19 1.71 0.29 0.00 -4.23 -1.26 0.23 115.64 112.19 3mr6 s THR 333 Ca 0.00 -2.10 -0.02 0.00 -1.18 0.00 0.00 61.69 58.39 3mr6 s THR 333 Cb 0.00 -1.95 0.23 0.00 1.34 0.00 0.00 72.50 72.12 3mr6 s THR 333 CO 0.00 -0.52 1.92 -0.09 -0.54 0.00 0.00 174.62 175.39 3mr6 h ARG 334 N 2.81 1.02 -0.65 3.99 2.43 -1.63 -1.30 114.38 121.04 3mr6 h ARG 334 Ca -0.39 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 58.59 3mr6 h ARG 334 Cb 1.21 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 3mr6 h ARG 334 CO 0.58 0.74 0.07 0.93 -1.51 0.00 0.00 179.97 180.78 3mr6 h GLU 335 N 1.03 1.10 0.12 0.20 4.39 -1.96 -1.53 114.58 117.92 3mr6 h GLU 335 Ca 0.26 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3mr6 h GLU 335 Cb 0.01 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3mr6 h GLU 335 CO -0.04 1.03 -0.06 1.96 -1.16 0.00 0.00 179.01 180.73 3mr6 h GLN 336 N 1.02 -0.15 -0.38 2.33 4.20 -1.84 -1.08 115.11 119.21 3mr6 h GLN 336 Ca 0.19 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.98 3mr6 h GLN 336 Cb 0.49 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.24 3mr6 h GLN 336 CO 0.02 0.19 -0.00 0.28 -0.67 0.00 0.00 178.83 178.65 3mr6 h VAL 337 N -0.52 0.71 -0.61 -0.54 2.07 -1.24 -0.90 116.25 115.22 3mr6 h VAL 337 Ca -0.02 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 3mr6 h VAL 337 Cb 0.42 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3mr6 h VAL 337 CO 0.03 0.02 0.05 1.56 0.02 0.00 0.00 177.57 179.24 3mr6 h GLN 338 N 0.10 1.04 -0.15 1.57 4.20 -1.29 -0.71 115.11 119.86 3mr6 h GLN 338 Ca 0.18 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 3mr6 h GLN 338 Cb 0.26 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3mr6 h GLN 338 CO -0.31 0.99 0.09 2.35 -0.67 0.00 0.00 178.83 181.27 3mr6 h TRP 339 N 0.96 0.21 -0.44 2.96 7.01 -0.51 -1.68 115.95 124.45 3mr6 h TRP 339 Ca 0.18 -0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.10 3mr6 h TRP 339 Cb 0.49 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 3mr6 h TRP 339 CO 0.03 0.19 -0.05 -1.49 -2.79 0.00 0.00 178.44 174.33 3mr6 h TRP 340 N 0.16 0.90 -0.90 2.65 4.06 -1.06 -1.72 115.95 120.05 3mr6 h TRP 340 Ca 0.05 -0.18 0.10 0.00 2.06 0.00 0.00 58.89 60.93 3mr6 h TRP 340 Cb 0.04 -0.23 -0.07 0.00 -1.00 0.00 0.00 29.16 27.91 3mr6 h TRP 340 CO -0.05 0.90 0.58 -0.07 -3.56 0.00 0.00 178.44 176.24 3mr6 h LEU 341 N 0.65 0.80 -0.46 -4.49 3.38 -1.00 -0.98 115.31 113.22 3mr6 h LEU 341 Ca 0.12 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 3mr6 h LEU 341 Cb 0.57 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3mr6 h LEU 341 CO 0.03 0.47 -0.22 0.25 0.09 0.00 0.00 178.44 179.06 3mr6 h LEU 342 N 0.88 0.98 -0.09 1.67 5.85 -0.86 0.15 115.31 123.90 3mr6 h LEU 342 Ca 0.42 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3mr6 h LEU 342 Cb 0.44 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3mr6 h LEU 342 CO -0.19 1.17 0.04 1.56 -0.34 0.00 0.00 178.44 180.68 3mr6 h GLN 343 N 0.80 0.09 -0.29 1.25 1.08 -0.37 0.32 115.11 117.98 3mr6 h GLN 343 Ca 0.10 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3mr6 h GLN 343 Cb 0.79 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.19 3mr6 h GLN 343 CO 0.07 0.06 0.16 -0.07 -0.95 0.00 0.00 178.83 178.10 3mr6 h LEU 344 N 0.09 0.36 -1.58 1.46 3.38 -1.15 -1.71 115.31 116.16 3mr6 h LEU 344 Ca 0.03 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3mr6 h LEU 344 Cb 0.01 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3mr6 h LEU 344 CO -0.03 0.33 0.35 0.00 0.09 0.00 0.00 178.44 179.18 3mr6 h ALA 345 N 1.04 1.81 -0.09 1.53 0.00 -0.47 0.05 119.26 123.13 3mr6 h ALA 345 Ca 0.10 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3mr6 h ALA 345 Cb 0.05 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.70 3mr6 h ALA 345 CO -0.02 0.12 -0.55 1.96 0.00 0.00 0.00 179.25 180.76 3mr6 h GLN 346 N 0.54 0.52 -0.60 0.00 4.20 -0.47 -0.37 115.11 118.93 3mr6 h GLN 346 Ca 0.22 -0.45 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 3mr6 h GLN 346 Cb 0.19 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 3mr6 h GLN 346 CO -0.06 1.08 0.30 1.49 -0.67 0.00 0.00 178.83 180.97 3mr6 h GLU 347 N 0.11 0.86 -0.53 1.46 4.81 -0.86 -2.30 114.58 118.13 3mr6 h GLU 347 Ca -0.04 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3mr6 h GLU 347 Cb 1.20 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 3mr6 h GLU 347 CO 0.11 0.68 0.29 1.25 -0.73 0.00 0.00 179.01 180.61 3mr6 h LEU 348 N 0.82 0.66 -0.32 1.64 5.85 -0.99 -1.00 115.31 121.98 3mr6 h LEU 348 Ca 0.21 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3mr6 h LEU 348 Cb 0.10 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3mr6 h LEU 348 CO -0.03 0.57 0.17 -0.08 -0.34 0.00 0.00 178.44 178.73 3mr6 h GLU 349 N 0.71 0.34 -0.73 1.25 4.22 -0.84 0.36 114.58 119.89 3mr6 h GLU 349 Ca 0.19 -0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.55 3mr6 h GLU 349 Cb 0.05 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3mr6 h GLU 349 CO -0.03 0.22 0.24 1.05 -2.18 0.00 0.00 179.01 178.32 3mr6 h GLU 350 N 0.35 1.13 -0.62 1.92 4.11 -1.20 -0.17 114.58 120.10 3mr6 h GLU 350 Ca 0.13 -0.23 -0.09 0.00 0.07 0.00 0.00 59.36 59.23 3mr6 h GLU 350 Cb 0.03 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3mr6 h GLU 350 CO -0.08 0.95 0.02 0.00 0.07 0.00 0.00 179.01 179.97 3mr6 h ARG 351 N 1.08 1.07 -0.31 1.06 3.08 -0.58 -2.22 114.38 117.56 3mr6 h ARG 351 Ca 0.24 -0.33 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 3mr6 h ARG 351 Cb 0.28 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3mr6 h ARG 351 CO -0.01 1.03 -0.16 -0.07 -1.07 0.00 0.00 179.97 179.69 3mr6 h LEU 352 N 0.98 0.68 -0.91 3.04 3.38 -0.07 -1.41 115.31 120.99 3mr6 h LEU 352 Ca 0.18 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3mr6 h LEU 352 Cb 0.54 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3mr6 h LEU 352 CO 0.03 0.94 0.56 0.74 0.09 0.00 0.00 178.44 180.80 3mr6 h THR 353 N 0.41 1.25 -0.48 0.22 2.02 -0.92 -1.09 112.91 114.33 3mr6 h THR 353 Ca 0.07 -0.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.64 3mr6 h THR 353 Cb 0.69 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3mr6 h THR 353 CO 0.05 0.26 -0.05 0.50 0.37 0.00 0.00 175.52 176.64 3mr6 h LYS 354 N 1.25 0.88 -0.65 6.66 3.64 -1.31 -2.69 116.57 124.35 3mr6 h LYS 354 Ca 0.33 -0.31 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3mr6 h LYS 354 Cb -0.07 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 3mr6 h LYS 354 CO -0.06 0.95 0.41 0.22 -2.27 0.00 0.00 179.45 178.69 3mr6 h ASP 355 N 0.73 0.69 -0.57 4.20 3.58 -0.70 -0.70 116.42 123.65 3mr6 h ASP 355 Ca 0.13 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.53 3mr6 h ASP 355 Cb 0.58 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 3mr6 h ASP 355 CO 0.04 0.48 0.21 -0.09 -2.88 0.00 0.00 179.24 177.00 3mr6 h ARG 356 N 0.82 0.87 -0.52 0.28 2.43 -1.14 0.43 114.38 117.55 3mr6 h ARG 356 Ca 0.25 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3mr6 h ARG 356 Cb -0.02 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 3mr6 h ARG 356 CO -0.08 0.77 -0.05 -0.91 -1.51 0.00 0.00 179.97 178.18 3mr6 h ASN 357 N 0.79 0.90 0.28 -3.80 2.35 -1.14 -1.54 115.58 113.42 3mr6 h ASN 357 Ca 0.19 -0.26 -0.34 0.00 -0.55 0.00 0.00 56.30 55.34 3mr6 h ASN 357 Cb 0.24 -0.24 0.03 0.00 0.05 0.00 0.00 38.32 38.40 3mr6 h ASN 357 CO -0.01 0.99 -1.52 0.44 -1.65 0.00 0.00 177.43 175.68 3mr6 h ASP 358 N 0.84 0.78 -0.09 5.81 3.32 -0.86 -3.39 116.42 122.82 3mr6 h ASP 358 Ca 0.15 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 56.31 3mr6 h ASP 358 Cb 0.57 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3mr6 h ASP 358 CO 0.03 1.70 0.00 0.59 -1.72 0.00 0.00 179.24 179.85 3mr6 n ASN 359 N -3.68 2.29 -3.88 6.45 3.02 0.15 -5.01 115.26 114.59 3mr6 n ASN 359 Ca -0.18 -2.08 -0.24 0.00 -0.03 0.00 0.00 54.58 52.05 3mr6 n ASN 359 Cb 1.10 -0.09 -0.00 0.00 -0.61 0.00 0.00 39.78 40.17 3mr6 n ASN 359 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3mr6 n ASP 360 N -0.30 -0.77 -3.79 6.41 8.00 -0.58 -4.92 116.55 120.60 3mr6 n ASP 360 Ca 0.04 -0.94 -0.11 0.00 0.71 0.00 0.00 54.79 54.49 3mr6 n ASP 360 Cb 0.33 -3.38 -0.07 0.00 -0.02 0.00 0.00 41.12 37.97 3mr6 n ASP 360 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mr6 s ARG 361 N -6.39 0.80 -0.03 -1.24 1.70 -1.25 -1.18 118.95 111.36 3mr6 s ARG 361 Ca 0.04 -0.63 0.02 0.00 -0.47 0.00 0.00 55.73 54.69 3mr6 s ARG 361 Cb -0.02 0.34 0.01 0.00 -0.57 0.00 0.00 34.95 34.71 3mr6 s ARG 361 CO 0.86 -0.26 -0.08 0.14 -1.08 0.00 0.00 175.30 174.89 3mr6 s VAL 362 N -2.88 0.72 0.34 4.99 -7.23 0.17 -4.01 120.40 112.50 3mr6 s VAL 362 Ca -0.03 -0.30 -0.27 0.00 -1.81 0.00 0.00 61.98 59.57 3mr6 s VAL 362 Cb 0.00 -0.67 -0.09 0.00 0.56 0.00 0.00 36.38 36.18 3mr6 s VAL 362 CO -0.06 0.24 1.16 0.00 -0.31 0.00 0.00 175.10 176.14 3mr6 s ALA 363 N 0.40 3.31 -0.18 1.32 0.00 -1.26 -0.78 121.76 124.57 3mr6 s ALA 363 Ca -0.06 0.98 0.03 0.00 0.00 0.00 0.00 51.96 52.90 3mr6 s ALA 363 Cb -0.10 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3mr6 s ALA 363 CO 0.01 -0.39 0.24 0.25 0.00 0.00 0.00 175.76 175.87 3mr6 n THR 364 N 0.63 0.00 -4.20 0.00 -2.24 -0.86 -4.82 114.28 102.79 3mr6 n THR 364 Ca 0.01 -0.46 -0.16 0.00 -2.27 0.00 0.00 64.05 61.18 3mr6 n THR 364 Cb 0.45 1.02 -0.14 0.00 -2.10 0.00 0.00 70.33 69.56 3mr6 n THR 364 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3mr6 s GLN 365 N -0.98 0.52 -0.17 -0.78 0.74 -0.60 -1.59 119.66 116.80 3mr6 s GLN 365 Ca 0.02 -0.30 -0.01 0.00 0.05 0.00 0.00 55.36 55.11 3mr6 s GLN 365 Cb 0.02 -0.48 -0.01 0.00 1.10 0.00 0.00 33.01 33.64 3mr6 s GLN 365 CO 0.09 0.13 -0.11 -1.17 -0.55 0.00 0.00 175.29 173.67 3mr6 s LEU 366 N -0.35 2.66 -0.19 3.68 2.96 0.47 -0.77 118.68 127.15 3mr6 s LEU 366 Ca 0.01 -0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 53.43 3mr6 s LEU 366 Cb -0.03 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 3mr6 s LEU 366 CO -0.00 0.07 0.07 -0.69 -1.32 0.00 0.00 176.35 174.47 3mr6 s VAL 367 N 0.94 4.79 -0.19 1.68 1.01 0.34 -0.70 120.40 128.27 3mr6 s VAL 367 Ca -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 3mr6 s VAL 367 Cb -0.15 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.07 3mr6 s VAL 367 CO -0.01 0.44 -0.15 -0.69 0.00 0.00 0.00 175.10 174.70 3mr6 s VAL 368 N 0.50 2.53 0.05 2.92 1.01 0.16 -1.19 120.40 126.38 3mr6 s VAL 368 Ca 0.03 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.31 3mr6 s VAL 368 Cb -0.13 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3mr6 s VAL 368 CO 0.01 0.50 -0.23 -0.55 0.00 0.00 0.00 175.10 174.83 3mr6 s SER 369 N 1.26 2.76 0.13 3.32 0.15 0.12 -0.92 113.70 120.51 3mr6 s SER 369 Ca 0.03 -0.57 -0.02 0.00 0.70 0.00 0.00 55.95 56.09 3mr6 s SER 369 Cb -0.14 -0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 63.91 3mr6 s SER 369 CO -0.08 0.19 0.08 0.27 1.20 0.00 0.00 173.24 174.90 3mr6 s ILE 370 N -0.84 0.11 -0.02 6.45 -4.36 -0.77 -0.81 121.20 120.96 3mr6 s ILE 370 Ca 0.09 -1.83 0.04 0.00 -0.26 0.00 0.00 60.65 58.70 3mr6 s ILE 370 Cb -0.09 -1.97 -0.01 0.00 1.25 0.00 0.00 42.46 41.64 3mr6 s ILE 370 CO 0.02 -0.48 -0.14 -0.60 0.24 0.00 0.00 174.94 173.98 3mr6 s ARG 371 N -4.03 1.21 -0.07 0.37 3.52 -0.98 -0.27 118.95 118.71 3mr6 s ARG 371 Ca 0.22 -0.49 -0.02 0.00 -0.13 0.00 0.00 55.73 55.30 3mr6 s ARG 371 Cb 0.07 -1.14 -0.04 0.00 -1.56 0.00 0.00 34.95 32.28 3mr6 s ARG 371 CO 0.01 0.27 0.03 0.14 -0.81 0.00 0.00 175.30 174.94 3mr6 s VAL 372 N -0.22 4.51 0.24 7.11 -7.23 -1.26 -0.94 120.40 122.62 3mr6 s VAL 372 Ca 0.03 -0.26 -0.31 0.00 -1.81 0.00 0.00 61.98 59.63 3mr6 s VAL 372 Cb -0.07 -2.95 -0.13 0.00 0.56 0.00 0.00 36.38 33.79 3mr6 s VAL 372 CO -0.00 0.54 1.41 1.67 -0.31 0.00 0.00 175.10 178.41 3mr6 n GLN 373 N 1.87 2.04 -0.05 4.82 7.27 -0.18 -1.44 117.38 131.71 3mr6 n GLN 373 Ca -0.17 0.73 0.00 0.00 0.07 0.00 0.00 57.00 57.62 3mr6 n GLN 373 Cb 0.54 -2.39 0.00 0.00 2.41 0.00 0.00 30.24 30.80 3mr6 n GLN 373 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3mr6 n GLY 374 N 2.17 0.46 3.69 1.69 0.00 -1.26 -4.89 105.19 107.05 3mr6 n GLY 374 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3mr6 n GLY 374 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mr6 s ASP 375 N -2.56 6.19 0.25 1.61 -1.08 -0.52 -4.99 116.67 115.58 3mr6 s ASP 375 Ca 0.00 0.21 0.11 0.00 -0.52 0.00 0.00 52.55 52.35 3mr6 s ASP 375 Cb 0.00 -2.11 0.27 0.00 -1.46 0.00 0.00 42.92 39.62 3mr6 s ASP 375 CO 0.00 0.10 1.56 0.07 0.52 0.00 0.00 175.17 177.42 3mr6 h LYS 376 N 7.14 0.00 -7.30 4.34 2.10 -1.97 -3.47 116.57 117.42 3mr6 h LYS 376 Ca -0.39 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 57.75 3mr6 h LYS 376 Cb 1.16 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 32.60 3mr6 h LYS 376 CO 0.70 0.66 0.35 1.03 -2.00 0.00 0.00 179.45 180.19 3mr6 s ARG 377 N -3.42 2.63 0.23 0.07 0.52 -1.26 -4.95 118.95 112.77 3mr6 s ARG 377 Ca -0.01 1.13 -0.07 0.00 -0.52 0.00 0.00 55.73 56.26 3mr6 s ARG 377 Cb 0.12 -1.94 0.27 0.00 0.52 0.00 0.00 34.95 33.91 3mr6 s ARG 377 CO 0.77 -1.35 1.87 1.25 0.02 0.00 0.00 175.30 177.85 3mr6 h LEU 378 N -0.73 0.87 -8.16 2.53 5.85 -1.98 -3.42 115.31 110.27 3mr6 h LEU 378 Ca -0.44 -0.00 -0.52 0.00 0.84 0.00 0.00 57.88 57.76 3mr6 h LEU 378 Cb 1.22 -0.19 -0.31 0.00 0.37 0.00 0.00 40.66 41.76 3mr6 h LEU 378 CO 0.54 0.59 -0.82 -0.55 -0.34 0.00 0.00 178.44 177.86 3mr6 s SER 379 N -5.84 1.87 -0.09 1.25 0.15 -1.26 -4.75 113.70 105.03 3mr6 s SER 379 Ca -0.13 -0.30 0.02 0.00 0.70 0.00 0.00 55.95 56.24 3mr6 s SER 379 Cb 0.17 -0.49 -0.25 0.00 -1.71 0.00 0.00 66.02 63.74 3mr6 s SER 379 CO 0.79 0.13 0.47 -1.20 1.20 0.00 0.00 173.24 174.63 3mr6 n SER 380 N 3.16 1.55 -3.71 5.45 7.64 0.63 -4.98 113.62 123.37 3mr6 n SER 380 Ca -0.18 0.29 -0.14 0.00 1.01 0.00 0.00 58.87 59.85 3mr6 n SER 380 Cb 0.53 -0.48 -0.09 0.00 -1.01 0.00 0.00 64.21 63.16 3mr6 n SER 380 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3mr6 s LEU 381 N -6.60 0.38 -0.06 -3.43 2.96 -1.02 -5.02 118.68 105.90 3mr6 s LEU 381 Ca -0.15 0.54 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 3mr6 s LEU 381 Cb 0.07 1.57 0.02 0.00 0.50 0.00 0.00 46.19 48.35 3mr6 s LEU 381 CO 0.79 -0.34 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.80 3mr6 s ARG 382 N -0.62 1.22 0.01 1.98 3.52 -1.26 -1.84 118.95 121.96 3mr6 s ARG 382 Ca -0.07 -0.23 -0.00 0.00 -0.13 0.00 0.00 55.73 55.29 3mr6 s ARG 382 Cb -0.03 -1.12 -0.01 0.00 -1.56 0.00 0.00 34.95 32.22 3mr6 s ARG 382 CO 0.04 -0.06 -0.01 1.03 -0.81 0.00 0.00 175.30 175.49 3mr6 s ARG 383 N 0.91 0.21 0.23 5.12 1.81 -0.10 -5.00 118.95 122.14 3mr6 s ARG 383 Ca -0.11 -0.38 0.10 0.00 -1.72 0.00 0.00 55.73 53.63 3mr6 s ARG 383 Cb -0.15 0.08 -0.05 0.00 -0.45 0.00 0.00 34.95 34.38 3mr6 s ARG 383 CO 0.01 -0.04 -0.19 0.00 -0.68 0.00 0.00 175.30 174.40 3mr6 s ALA 386 N -3.89 3.22 -0.63 0.00 0.00 -1.26 -0.39 121.76 118.81 3mr6 s ALA 386 Ca 0.10 1.20 -0.01 0.00 0.00 0.00 0.00 51.96 53.25 3mr6 s ALA 386 Cb 0.01 -3.48 0.16 0.00 0.00 0.00 0.00 23.12 19.81 3mr6 s ALA 386 CO -0.04 -0.81 0.43 -1.17 0.00 0.00 0.00 175.76 174.18 3mr6 s LEU 387 N -2.49 5.03 -0.01 0.00 0.20 -0.62 -4.57 118.68 116.23 3mr6 s LEU 387 Ca 0.58 -3.03 0.20 0.00 0.69 0.00 0.00 54.13 52.57 3mr6 s LEU 387 Cb -0.37 -1.80 -0.23 0.00 -0.43 0.00 0.00 46.19 43.36 3mr6 s LEU 387 CO 0.47 -0.30 0.56 0.35 -0.29 0.00 0.00 176.35 177.14 3mr6 n THR 388 N 3.21 0.60 -4.27 3.68 -2.24 -1.26 -4.37 114.28 109.62 3mr6 n THR 388 Ca 0.09 -0.61 -0.18 0.00 -2.27 0.00 0.00 64.05 61.08 3mr6 n THR 388 Cb 0.36 -0.28 -0.15 0.00 -2.10 0.00 0.00 70.33 68.16 3mr6 n THR 388 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3mr6 s ARG 389 N -3.19 0.64 -1.47 -0.78 0.52 -1.26 -5.05 118.95 108.36 3mr6 s ARG 389 Ca -0.06 -0.24 -0.11 0.00 -0.52 0.00 0.00 55.73 54.80 3mr6 s ARG 389 Cb 0.11 -0.62 0.03 0.00 0.52 0.00 0.00 34.95 34.98 3mr6 s ARG 389 CO 0.86 0.12 2.46 0.66 0.02 0.00 0.00 175.30 179.42 3mr6 n TYR 390 N 3.06 2.90 -4.05 -0.53 0.53 -1.26 -4.81 117.16 113.00 3mr6 n TYR 390 Ca -0.15 -2.97 -0.27 0.00 -1.02 0.00 0.00 57.90 53.49 3mr6 n TYR 390 Cb 0.56 -2.33 -0.17 0.00 -1.03 0.00 0.00 39.34 36.37 3mr6 n TYR 390 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3mr6 s ASP 391 N 2.04 2.27 0.21 7.72 2.15 -1.26 -4.99 116.67 124.81 3mr6 s ASP 391 Ca 0.55 -0.36 -0.11 0.00 0.43 0.00 0.00 52.55 53.07 3mr6 s ASP 391 Cb 0.15 -0.94 0.16 0.00 -0.30 0.00 0.00 42.92 42.00 3mr6 s ASP 391 CO -0.07 -0.08 1.87 0.00 -0.17 0.00 0.00 175.17 176.72 3mr6 h ALA 392 N 7.95 0.92 -0.84 3.66 0.00 -1.89 -1.48 119.26 127.58 3mr6 h ALA 392 Ca -0.32 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.56 3mr6 h ALA 392 Cb 1.14 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3mr6 h ALA 392 CO 0.45 0.29 0.55 0.45 0.00 0.00 0.00 179.25 180.99 3mr6 h HIS 393 N 0.93 1.05 -0.18 0.00 3.86 -1.93 0.56 115.15 119.44 3mr6 h HIS 393 Ca 0.27 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.44 3mr6 h HIS 393 Cb -0.07 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.05 3mr6 h HIS 393 CO -0.03 0.64 -0.16 -0.22 0.86 0.00 0.00 177.93 179.02 3mr6 h LYS 394 N 1.12 0.43 -0.82 2.45 3.64 -1.85 -2.14 116.57 119.39 3mr6 h LYS 394 Ca 0.32 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3mr6 h LYS 394 Cb -0.09 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 3mr6 h LYS 394 CO -0.08 0.78 0.36 0.52 -2.27 0.00 0.00 179.45 178.76 3mr6 h MET 395 N 0.09 1.20 -0.46 1.90 2.86 -1.02 0.21 114.93 119.71 3mr6 h MET 395 Ca 0.03 -0.19 -0.05 0.00 -2.06 0.00 0.00 59.70 57.42 3mr6 h MET 395 Cb 0.69 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3mr6 h MET 395 CO 0.04 0.94 0.08 0.66 1.06 0.00 0.00 176.91 179.69 3mr6 h SER 396 N 1.18 0.72 -0.35 1.22 4.64 -0.89 -0.00 113.55 120.07 3mr6 h SER 396 Ca 0.28 -0.25 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 3mr6 h SER 396 Cb 0.17 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3mr6 h SER 396 CO -0.03 0.79 -0.11 -0.74 -0.87 0.00 0.00 176.83 175.87 3mr6 h HIS 397 N 0.62 0.78 -0.94 4.77 -0.00 -1.09 -1.82 115.15 117.47 3mr6 h HIS 397 Ca 0.14 -0.17 0.01 0.00 -0.00 0.00 0.00 60.37 60.35 3mr6 h HIS 397 Cb 0.37 -0.19 -0.05 0.00 -0.00 0.00 0.00 27.41 27.55 3mr6 h HIS 397 CO 0.03 0.86 0.62 -0.44 -0.00 0.00 0.00 177.93 178.99 3mr6 h ASP 398 N 0.47 1.06 -0.67 3.26 3.32 -0.48 -1.46 116.42 121.92 3mr6 h ASP 398 Ca 0.08 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3mr6 h ASP 398 Cb 0.62 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 3mr6 h ASP 398 CO 0.04 0.76 0.33 0.00 -1.72 0.00 0.00 179.24 178.65 3mr6 h ALA 399 N 1.35 0.87 0.11 3.45 0.00 -0.81 -1.77 119.26 122.46 3mr6 h ALA 399 Ca 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3mr6 h ALA 399 Cb -0.12 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.41 3mr6 h ALA 399 CO -0.08 0.42 -0.05 0.35 0.00 0.00 0.00 179.25 179.88 3mr6 h PHE 400 N 0.93 -0.14 -0.85 0.00 3.04 -0.83 -2.23 116.94 116.86 3mr6 h PHE 400 Ca 0.23 -0.00 0.21 0.00 3.98 0.00 0.00 57.97 62.39 3mr6 h PHE 400 Cb 0.10 0.05 -0.13 0.00 2.56 0.00 0.00 35.95 38.53 3mr6 h PHE 400 CO 0.00 0.01 0.28 1.15 -2.02 0.00 0.00 178.31 177.73 3mr6 h THR 401 N -0.26 0.43 0.00 4.41 2.02 -1.12 0.19 112.91 118.58 3mr6 h THR 401 Ca -0.02 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 66.98 3mr6 h THR 401 Cb 0.21 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 3mr6 h THR 401 CO 0.03 0.05 -0.37 0.58 0.37 0.00 0.00 175.52 176.18 3mr6 h VAL 402 N 0.30 1.11 -0.32 3.16 2.07 -0.90 -3.10 116.25 118.57 3mr6 h VAL 402 Ca 0.52 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3mr6 h VAL 402 Cb 0.97 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3mr6 h VAL 402 CO -0.57 0.37 0.00 2.30 0.02 0.00 0.00 177.57 179.69 3mr6 n ILE 403 N -3.87 1.44 0.27 4.57 -5.35 -0.11 -4.55 119.36 111.77 3mr6 n ILE 403 Ca -0.01 -1.29 0.12 0.00 -0.27 0.00 0.00 62.75 61.29 3mr6 n ILE 403 Cb 0.44 0.24 0.75 0.00 -1.74 0.00 0.00 39.64 39.33 3mr6 n ILE 403 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 3mr6 h LYS 404 N 1.97 0.00 -0.22 6.28 1.57 -1.04 -3.13 116.57 122.00 3mr6 h LYS 404 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3mr6 h LYS 404 Cb 0.98 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 3mr6 h LYS 404 CO 0.08 0.07 -0.29 -2.95 -0.57 0.00 0.00 179.45 175.79 3mr6 h ASN 405 N 0.00 0.45 0.17 0.86 7.08 -1.81 -3.11 115.58 119.21 3mr6 h ASN 405 Ca -0.00 -0.16 -0.10 0.00 -3.08 0.00 0.00 56.30 52.96 3mr6 h ASN 405 Cb 0.17 -0.12 -0.01 0.00 -2.08 0.00 0.00 38.32 36.27 3mr6 h ASN 405 CO 0.01 0.72 -0.36 0.24 -2.08 0.00 0.00 177.43 175.96 3mr6 h MET 406 N 0.38 0.27 -7.01 4.14 0.00 -1.90 -3.45 114.93 107.37 3mr6 h MET 406 Ca 0.05 -0.12 -0.54 0.00 0.00 0.00 0.00 59.70 59.10 3mr6 h MET 406 Cb 0.71 -0.01 0.11 0.00 0.00 0.00 0.00 31.60 32.41 3mr6 h MET 406 CO 0.05 0.60 0.63 1.21 0.00 0.00 0.00 176.91 179.40 3mr6 s ASN 407 N -6.87 5.73 0.03 1.22 2.47 -1.18 -4.63 114.94 111.71 3mr6 s ASN 407 Ca -0.05 2.76 0.03 0.00 0.42 0.00 0.00 52.86 56.02 3mr6 s ASN 407 Cb 0.14 -2.64 -0.04 0.00 -1.45 0.00 0.00 41.25 37.26 3mr6 s ASN 407 CO 0.77 -1.25 -0.04 -0.89 -3.72 0.00 0.00 177.10 171.97 3mr6 s THR 408 N -1.28 3.83 0.83 -5.21 2.01 0.26 -4.94 115.64 111.13 3mr6 s THR 408 Ca 0.65 -0.81 -0.12 0.00 0.31 0.00 0.00 61.69 61.72 3mr6 s THR 408 Cb -0.40 -2.72 0.09 0.00 0.01 0.00 0.00 72.50 69.48 3mr6 s THR 408 CO 0.50 0.31 1.15 -0.55 -0.69 0.00 0.00 174.62 175.34 3mr6 s SER 409 N -1.69 3.68 0.00 3.53 0.15 -1.26 -4.23 113.70 113.87 3mr6 s SER 409 Ca 0.20 2.15 0.00 0.00 0.70 0.00 0.00 55.95 58.99 3mr6 s SER 409 Cb -0.11 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 3mr6 s SER 409 CO 0.11 -2.60 0.00 0.61 1.20 0.00 0.00 173.24 172.56 3mr6 n GLY 410 N -0.08 -2.32 0.27 9.45 0.00 -1.26 -5.01 105.19 106.23 3mr6 n GLY 410 Ca 0.12 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.89 3mr6 n GLY 410 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mr6 n THR 413 N 0.00 0.00 -2.99 2.61 -2.24 -1.26 -5.03 114.28 105.37 3mr6 n THR 413 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 3mr6 n THR 413 Cb 0.00 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.01 3mr6 n THR 413 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3mr6 s GLU 414 N 0.00 3.64 -0.10 -0.78 0.41 -1.26 -1.78 118.70 118.84 3mr6 s GLU 414 Ca 0.00 0.18 0.02 0.00 -0.41 0.00 0.00 54.97 54.76 3mr6 s GLU 414 Cb 0.00 -2.49 0.01 0.00 -1.78 0.00 0.00 34.13 29.88 3mr6 s GLU 414 CO 0.00 0.01 -0.14 -0.46 -0.49 0.00 0.00 175.26 174.18 3mr6 s TRP 415 N -2.38 1.84 -0.18 1.61 -0.11 0.63 -4.71 118.94 115.64 3mr6 s TRP 415 Ca 0.47 -0.82 -0.27 0.00 1.22 0.00 0.00 56.10 56.70 3mr6 s TRP 415 Cb -0.10 -1.33 0.07 0.00 -1.50 0.00 0.00 33.47 30.60 3mr6 s TRP 415 CO 0.35 -0.43 0.70 -1.54 -4.62 0.00 0.00 176.95 171.42 3mr6 s SER 416 N 0.92 -0.71 0.96 5.86 1.04 -1.26 -3.89 113.70 116.62 3mr6 s SER 416 Ca -0.08 1.15 -0.11 0.00 0.48 0.00 0.00 55.95 57.38 3mr6 s SER 416 Cb -0.15 1.08 0.16 0.00 0.10 0.00 0.00 66.02 67.22 3mr6 s SER 416 CO -0.00 -0.40 1.09 -2.16 0.98 0.00 0.00 173.24 172.75 3mr6 s PRO 417 N -0.27 0.75 0.59 4.02 0.04 -1.26 -0.57 135.00 138.30 3mr6 s PRO 417 Ca -0.05 1.00 -0.17 0.00 0.04 0.00 0.00 61.00 61.82 3mr6 s PRO 417 Cb -0.03 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 3mr6 s PRO 417 CO 0.05 -2.64 1.12 -1.25 0.04 0.00 0.00 177.00 174.32 3mr6 s PRO 418 N -4.76 3.13 -0.15 0.56 0.04 -1.25 -4.83 135.00 127.74 3mr6 s PRO 418 Ca 0.65 1.50 -0.18 0.00 0.04 0.00 0.00 61.00 63.02 3mr6 s PRO 418 Cb -0.21 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 3mr6 s PRO 418 CO 0.59 -1.01 0.46 -0.51 0.04 0.00 0.00 177.00 176.57 3mr6 s LEU 419 N -4.26 4.24 0.00 -3.56 1.43 -0.11 -1.01 118.68 115.41 3mr6 s LEU 419 Ca 0.70 0.73 0.23 0.00 -1.03 0.00 0.00 54.13 54.76 3mr6 s LEU 419 Cb -0.22 -2.65 0.08 0.00 0.03 0.00 0.00 46.19 43.42 3mr6 s LEU 419 CO 0.33 -0.03 1.12 0.35 0.23 0.00 0.00 176.35 178.35 3mr6 n THR 420 N 3.90 0.00 -3.57 5.49 -2.24 -0.11 -1.19 114.28 116.56 3mr6 n THR 420 Ca -0.07 -0.04 -0.16 0.00 -2.27 0.00 0.00 64.05 61.50 3mr6 n THR 420 Cb 0.51 0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 69.46 3mr6 n THR 420 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3mr6 s MET 421 N -2.89 0.95 -0.03 -0.78 -2.45 -1.21 0.95 119.30 113.84 3mr6 s MET 421 Ca 0.11 0.54 0.03 0.00 -1.25 0.00 0.00 55.69 55.12 3mr6 s MET 421 Cb 0.17 0.45 -0.00 0.00 1.25 0.00 0.00 34.83 36.70 3mr6 s MET 421 CO 0.76 -0.23 -0.11 -0.51 1.05 0.00 0.00 175.02 175.97 3mr6 s LEU 422 N -0.57 1.86 -0.10 4.11 1.43 -0.32 -2.32 118.68 122.76 3mr6 s LEU 422 Ca -0.06 -0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 52.77 3mr6 s LEU 422 Cb -0.02 -0.65 0.05 0.00 0.03 0.00 0.00 46.19 45.60 3mr6 s LEU 422 CO 0.06 0.10 0.21 0.12 0.23 0.00 0.00 176.35 177.07 3mr6 s PHE 423 N 0.07 -0.30 -0.14 0.29 5.99 0.01 -0.96 117.98 122.94 3mr6 s PHE 423 Ca -0.02 0.77 -0.02 0.00 0.00 0.00 0.00 56.93 57.67 3mr6 s PHE 423 Cb -0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 43.02 42.80 3mr6 s PHE 423 CO 0.01 -0.29 -0.09 -0.51 -0.00 0.00 0.00 175.22 174.33 3mr6 s LEU 424 N 2.10 2.94 -0.04 6.12 1.43 -0.17 -0.71 118.68 130.35 3mr6 s LEU 424 Ca -0.00 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 52.85 3mr6 s LEU 424 Cb -0.12 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.45 3mr6 s LEU 424 CO -0.07 0.17 0.02 0.00 0.23 0.00 0.00 176.35 176.70 3mr6 s ALA 426 N 1.40 3.42 0.33 0.00 0.00 0.52 -0.50 121.76 126.92 3mr6 s ALA 426 Ca -0.05 0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 3mr6 s ALA 426 Cb -0.13 -2.92 -0.00 0.00 0.00 0.00 0.00 23.12 20.07 3mr6 s ALA 426 CO -0.03 0.15 0.45 0.95 0.00 0.00 0.00 175.76 177.28 3mr6 s THR 427 N -0.34 0.00 -1.11 0.00 -4.23 0.05 -2.07 115.64 107.93 3mr6 s THR 427 Ca 0.36 -1.61 -0.06 0.00 -1.18 0.00 0.00 61.69 59.21 3mr6 s THR 427 Cb -0.20 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 3mr6 s THR 427 CO 0.22 0.00 0.91 0.29 -0.54 0.00 0.00 174.62 175.50 3mr6 n LYS 428 N -0.53 -3.38 -2.21 3.99 5.02 -1.26 -1.56 118.16 118.22 3mr6 n LYS 428 Ca 0.01 0.80 -0.37 0.00 -2.02 0.00 0.00 58.31 56.73 3mr6 n LYS 428 Cb 0.62 -5.61 -0.00 0.00 -0.02 0.00 0.00 35.03 30.01 3mr6 n LYS 428 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3mr6 s PHE 429 N -3.41 2.77 0.03 2.13 0.08 -1.26 -2.28 117.98 116.04 3mr6 s PHE 429 Ca 0.32 1.52 0.01 0.00 0.12 0.00 0.00 56.93 58.90 3mr6 s PHE 429 Cb -0.05 -3.40 -0.02 0.00 -0.57 0.00 0.00 43.02 38.98 3mr6 s PHE 429 CO 0.76 -1.65 -0.04 -1.54 -0.10 0.00 0.00 175.22 172.64 3mr6 s SER 430 N -1.42 0.47 0.45 1.36 1.04 0.04 -4.93 113.70 110.71 3mr6 s SER 430 Ca 0.67 -0.59 -0.23 0.00 0.48 0.00 0.00 55.95 56.27 3mr6 s SER 430 Cb -0.29 0.09 -0.10 0.00 0.10 0.00 0.00 66.02 65.83 3mr6 s SER 430 CO 0.34 -0.32 1.01 0.00 0.98 0.00 0.00 173.24 175.25 3mr6 n ALA 431 N 1.31 0.24 -1.34 5.32 0.00 -1.26 -0.66 120.51 124.12 3mr6 n ALA 431 Ca -0.22 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3mr6 n ALA 431 Cb 0.56 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3mr6 n ALA 431 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37