#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr5 h MET 1 N 0.00 0.91 -0.98 -0.41 0.00 -1.94 -0.12 114.93 112.41 3mr5 h MET 1 Ca 0.00 -0.13 0.21 0.00 0.00 0.00 0.00 59.70 59.77 3mr5 h MET 1 Cb 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 31.60 31.35 3mr5 h MET 1 CO 0.00 0.73 0.62 0.00 0.00 0.00 0.00 176.91 178.26 3mr5 h ALA 2 N 1.40 1.97 -0.57 6.32 0.00 -2.04 0.30 119.26 126.63 3mr5 h ALA 2 Ca 0.22 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3mr5 h ALA 2 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3mr5 h ALA 2 CO -0.02 -0.31 0.00 0.25 0.00 0.00 0.00 179.25 179.16 3mr5 n THR 3 N -4.65 0.90 -2.76 0.00 -2.24 -1.07 -4.96 114.28 99.49 3mr5 n THR 3 Ca 0.22 -0.95 -0.16 0.00 -2.27 0.00 0.00 64.05 60.89 3mr5 n THR 3 Cb 0.67 0.60 0.02 0.00 -2.10 0.00 0.00 70.33 69.52 3mr5 n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mr5 n GLY 4 N 1.32 -0.22 0.66 3.38 0.00 0.10 -4.81 105.19 105.62 3mr5 n GLY 4 Ca 0.20 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.15 3mr5 n GLY 4 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mr5 n GLN 5 N -3.11 1.90 0.17 1.61 6.02 -0.09 -4.71 117.38 119.18 3mr5 n GLN 5 Ca -0.10 -2.94 0.06 0.00 -0.01 0.00 0.00 57.00 54.02 3mr5 n GLN 5 Cb 0.60 -1.69 0.14 0.00 1.02 0.00 0.00 30.24 30.31 3mr5 n GLN 5 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 3mr5 h ASP 6 N 0.90 0.00 -2.97 1.08 -0.00 -1.86 -3.45 116.42 110.12 3mr5 h ASP 6 Ca 0.06 0.00 -0.49 0.00 -0.00 0.00 0.00 57.03 56.60 3mr5 h ASP 6 Cb 1.28 0.00 -0.14 0.00 -0.00 0.00 0.00 39.33 40.47 3mr5 h ASP 6 CO 0.16 0.34 -0.68 -0.13 -0.00 0.00 0.00 179.24 178.92 3mr5 s ARG 7 N -3.15 1.52 -0.26 4.15 0.52 -1.26 -4.96 118.95 115.51 3mr5 s ARG 7 Ca 0.04 -1.76 0.00 0.00 -0.52 0.00 0.00 55.73 53.50 3mr5 s ARG 7 Cb 0.08 -1.15 0.04 0.00 0.52 0.00 0.00 34.95 34.44 3mr5 s ARG 7 CO 0.71 0.06 -0.08 0.08 0.02 0.00 0.00 175.30 176.09 3mr5 s VAL 8 N -3.00 2.55 -0.02 3.52 1.01 -1.26 -4.22 120.40 118.98 3mr5 s VAL 8 Ca 0.29 -1.32 0.06 0.00 0.00 0.00 0.00 61.98 61.00 3mr5 s VAL 8 Cb 0.03 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 3mr5 s VAL 8 CO 0.11 0.08 -0.19 -0.69 0.00 0.00 0.00 175.10 174.41 3mr5 s VAL 9 N 1.22 1.53 0.16 2.92 1.01 0.94 -0.64 120.40 127.54 3mr5 s VAL 9 Ca -0.04 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.21 3mr5 s VAL 9 Cb -0.18 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 3mr5 s VAL 9 CO -0.05 0.43 -0.18 0.00 0.00 0.00 0.00 175.10 175.30 3mr5 s ALA 10 N -0.36 2.01 -0.17 5.51 0.00 -0.32 -0.82 121.76 127.60 3mr5 s ALA 10 Ca 0.05 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.52 3mr5 s ALA 10 Cb -0.08 -0.19 0.04 0.00 0.00 0.00 0.00 23.12 22.89 3mr5 s ALA 10 CO -0.00 0.24 -0.08 -1.17 0.00 0.00 0.00 175.76 174.75 3mr5 s LEU 11 N -2.65 1.85 -0.22 0.00 1.98 -0.36 -0.26 118.68 119.02 3mr5 s LEU 11 Ca 0.16 -0.71 -0.07 0.00 -2.89 0.00 0.00 54.13 50.61 3mr5 s LEU 11 Cb -0.06 -1.05 -0.03 0.00 0.66 0.00 0.00 46.19 45.71 3mr5 s LEU 11 CO 0.07 -0.15 0.06 -0.69 -1.89 0.00 0.00 176.35 173.74 3mr5 s VAL 12 N 1.53 4.39 -0.07 1.68 1.01 -0.82 -1.09 120.40 127.03 3mr5 s VAL 12 Ca 0.01 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.85 3mr5 s VAL 12 Cb -0.15 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.22 3mr5 s VAL 12 CO -0.08 0.39 -0.11 -0.62 0.00 0.00 0.00 175.10 174.68 3mr5 s ASP 13 N 1.12 1.76 0.41 3.32 -1.08 -0.55 -2.02 116.67 119.62 3mr5 s ASP 13 Ca 0.04 -0.29 -0.26 0.00 -0.52 0.00 0.00 52.55 51.52 3mr5 s ASP 13 Cb -0.14 -0.80 -0.09 0.00 -1.46 0.00 0.00 42.92 40.43 3mr5 s ASP 13 CO 0.03 0.01 1.27 -0.04 0.52 0.00 0.00 175.17 176.96 3mr5 s MET 14 N 0.80 3.97 0.12 4.34 -1.94 -0.46 -1.43 119.30 124.70 3mr5 s MET 14 Ca -0.12 2.09 -0.30 0.00 -1.71 0.00 0.00 55.69 55.65 3mr5 s MET 14 Cb -0.15 -2.73 -0.06 0.00 2.01 0.00 0.00 34.83 33.90 3mr5 s MET 14 CO 0.02 -0.47 0.95 -0.51 -0.01 0.00 0.00 175.02 175.01 3mr5 s ASP 15 N -0.83 7.51 -0.24 3.03 1.01 -1.02 -4.16 116.67 121.96 3mr5 s ASP 15 Ca 0.57 1.80 -0.06 0.00 0.71 0.00 0.00 52.55 55.57 3mr5 s ASP 15 Cb -0.36 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 40.99 3mr5 s ASP 15 CO 0.47 -0.04 0.14 0.00 0.21 0.00 0.00 175.17 175.95 3mr5 h PHE 17 N 1.68 -1.32 -0.64 0.00 3.57 -1.94 -0.84 116.94 117.46 3mr5 h PHE 17 Ca -0.15 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.45 3mr5 h PHE 17 Cb 0.30 0.56 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 3mr5 h PHE 17 CO 0.07 -0.51 0.42 0.74 -2.23 0.00 0.00 178.31 176.80 3mr5 h PHE 18 N -0.64 0.62 -0.34 0.41 -1.00 -1.95 -1.43 116.94 112.61 3mr5 h PHE 18 Ca -0.01 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 3mr5 h PHE 18 Cb 0.65 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 3mr5 h PHE 18 CO -0.43 0.33 0.04 0.28 -1.61 0.00 0.00 178.31 176.91 3mr5 h VAL 19 N 0.61 1.24 -1.00 -0.55 2.07 -1.64 -2.02 116.25 114.96 3mr5 h VAL 19 Ca 0.28 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.96 3mr5 h VAL 19 Cb 0.31 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 3mr5 h VAL 19 CO -0.09 0.28 0.66 1.56 0.02 0.00 0.00 177.57 180.01 3mr5 h GLN 20 N 0.39 1.27 -0.62 1.57 4.20 -0.28 0.24 115.11 121.88 3mr5 h GLN 20 Ca 0.10 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.75 3mr5 h GLN 20 Cb 0.37 -0.29 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 3mr5 h GLN 20 CO 0.01 0.84 0.40 0.28 -0.67 0.00 0.00 178.83 179.69 3mr5 h VAL 21 N 1.31 1.14 -0.14 -0.54 2.07 -1.03 0.98 116.25 120.04 3mr5 h VAL 21 Ca 0.38 -0.28 -0.15 0.00 0.82 0.00 0.00 66.70 67.47 3mr5 h VAL 21 Cb -0.08 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3mr5 h VAL 21 CO -0.10 0.15 -0.56 -0.33 0.02 0.00 0.00 177.57 176.75 3mr5 h GLU 22 N 0.82 0.43 -0.21 1.57 4.39 -0.66 -2.95 114.58 117.97 3mr5 h GLU 22 Ca 0.23 -0.28 -0.15 0.00 0.34 0.00 0.00 59.36 59.50 3mr5 h GLU 22 Cb -0.07 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3mr5 h GLU 22 CO -0.06 0.88 -0.51 1.96 -1.16 0.00 0.00 179.01 180.12 3mr5 h GLN 23 N 0.33 0.58 -0.69 2.33 4.20 -0.20 0.98 115.11 122.64 3mr5 h GLN 23 Ca 0.00 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 3mr5 h GLN 23 Cb 1.09 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.87 3mr5 h GLN 23 CO 0.10 0.95 0.38 -0.09 -0.67 0.00 0.00 178.83 179.50 3mr5 h ARG 24 N 0.46 0.97 -0.10 1.46 2.43 -0.75 -3.16 114.38 115.68 3mr5 h ARG 24 Ca 0.02 -0.11 -0.14 0.00 -0.81 0.00 0.00 59.98 58.94 3mr5 h ARG 24 Cb 1.05 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 30.41 3mr5 h ARG 24 CO 0.10 0.72 -0.47 0.37 -1.51 0.00 0.00 179.97 179.18 3mr5 h GLN 25 N 0.95 0.49 -4.23 0.20 4.15 -1.35 -3.39 115.11 111.93 3mr5 h GLN 25 Ca 0.24 -0.40 -0.69 0.00 0.77 0.00 0.00 58.65 58.58 3mr5 h GLN 25 Cb 0.04 0.08 -0.35 0.00 0.21 0.00 0.00 27.48 27.46 3mr5 h GLN 25 CO -0.04 1.03 -0.51 1.21 -1.93 0.00 0.00 178.83 178.59 3mr5 s ASN 26 N -6.63 5.20 0.56 -0.69 3.84 0.32 -4.97 114.94 112.59 3mr5 s ASN 26 Ca -0.13 -2.28 0.27 0.00 0.21 0.00 0.00 52.86 50.93 3mr5 s ASN 26 Cb 0.05 -1.82 1.49 0.00 -0.55 0.00 0.00 41.25 40.42 3mr5 s ASN 26 CO 0.82 -0.48 1.99 -0.65 -2.79 0.00 0.00 177.10 175.98 3mr5 h PRO 27 N 7.72 0.00 0.00 0.43 0.11 -1.77 -1.24 132.00 137.26 3mr5 h PRO 27 Ca -0.10 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3mr5 h PRO 27 Cb 1.02 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3mr5 h PRO 27 CO 0.70 0.00 -0.03 0.45 -0.21 0.00 0.00 178.00 178.90 3mr5 h HIS 28 N 0.00 0.00 0.00 0.65 3.86 -1.93 -2.11 115.15 115.61 3mr5 h HIS 28 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3mr5 h HIS 28 Cb 0.96 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.43 3mr5 h HIS 28 CO 0.00 0.03 -0.39 1.28 0.86 0.00 0.00 177.93 179.71 3mr5 n LEU 29 N -3.40 0.44 -4.77 2.43 4.77 -0.47 -4.92 117.00 111.08 3mr5 n LEU 29 Ca -0.02 0.18 -0.41 0.00 -0.03 0.00 0.00 56.01 55.73 3mr5 n LEU 29 Cb 0.15 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 3mr5 n LEU 29 CO 0.25 0.05 0.98 -0.13 -1.33 0.00 0.00 177.39 177.21 3mr5 s ARG 30 N -3.04 4.36 -1.43 3.23 0.52 -0.80 -3.32 118.95 118.47 3mr5 s ARG 30 Ca 0.11 2.21 -0.09 0.00 -0.52 0.00 0.00 55.73 57.44 3mr5 s ARG 30 Cb 0.17 -3.08 0.02 0.00 0.52 0.00 0.00 34.95 32.58 3mr5 s ARG 30 CO 0.66 -0.20 1.00 0.09 0.02 0.00 0.00 175.30 176.87 3mr5 n ASN 31 N 0.99 -6.06 -4.14 0.23 5.03 -1.26 -4.99 115.26 105.05 3mr5 n ASN 31 Ca 0.01 -0.50 -0.09 0.00 0.87 0.00 0.00 54.58 54.86 3mr5 n ASN 31 Cb 0.42 -4.81 -0.10 0.00 -1.02 0.00 0.00 39.78 34.27 3mr5 n ASN 31 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3mr5 s LYS 32 N -6.20 0.80 -0.30 3.52 1.02 -1.21 -5.07 119.74 112.30 3mr5 s LYS 32 Ca 0.52 -1.34 -0.29 0.00 0.02 0.00 0.00 55.97 54.89 3mr5 s LYS 32 Cb -0.24 0.06 -0.01 0.00 -0.52 0.00 0.00 37.83 37.12 3mr5 s LYS 32 CO 0.65 -0.13 1.54 -1.25 -0.92 0.00 0.00 175.35 175.24 3mr5 s PRO 33 N -3.93 3.67 0.12 -1.68 0.04 -1.26 -4.62 135.00 127.35 3mr5 s PRO 33 Ca 0.14 1.36 -0.08 0.00 0.04 0.00 0.00 61.00 62.46 3mr5 s PRO 33 Cb 0.07 -4.03 -0.01 0.00 0.04 0.00 0.00 34.50 30.57 3mr5 s PRO 33 CO -0.04 -1.44 0.21 0.00 0.04 0.00 0.00 177.00 175.77 3mr5 s ALA 35 N -3.92 -0.65 -0.20 0.00 0.00 -0.21 -0.77 121.76 116.00 3mr5 s ALA 35 Ca 0.12 -0.07 -0.10 0.00 0.00 0.00 0.00 51.96 51.90 3mr5 s ALA 35 Cb 0.04 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.49 3mr5 s ALA 35 CO -0.05 -0.45 0.14 0.08 0.00 0.00 0.00 175.76 175.48 3mr5 s VAL 36 N -2.83 5.40 0.07 0.00 1.01 -0.10 -1.29 120.40 122.66 3mr5 s VAL 36 Ca -0.03 0.21 0.09 0.00 0.00 0.00 0.00 61.98 62.25 3mr5 s VAL 36 Cb 0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 3mr5 s VAL 36 CO -0.05 0.44 -0.25 -0.69 0.00 0.00 0.00 175.10 174.55 3mr5 s VAL 37 N 0.36 2.01 -0.31 2.92 1.01 0.03 -0.80 120.40 125.62 3mr5 s VAL 37 Ca 0.09 -1.45 -0.07 0.00 0.00 0.00 0.00 61.98 60.55 3mr5 s VAL 37 Cb -0.11 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.54 3mr5 s VAL 37 CO -0.02 0.22 0.09 -1.58 0.00 0.00 0.00 175.10 173.81 3mr5 s GLN 38 N -1.49 2.91 0.08 2.72 0.74 0.60 -0.92 119.66 124.30 3mr5 s GLN 38 Ca 0.11 -0.98 0.00 0.00 0.05 0.00 0.00 55.36 54.54 3mr5 s GLN 38 Cb -0.10 -3.40 0.00 0.00 1.10 0.00 0.00 33.01 30.62 3mr5 s GLN 38 CO 0.03 -0.53 0.00 0.66 -0.55 0.00 0.00 175.29 174.91 3mr5 n TYR 39 N 4.84 -2.60 0.46 1.67 4.01 -1.26 -2.00 117.16 122.29 3mr5 n TYR 39 Ca -0.14 1.56 0.11 0.00 -0.16 0.00 0.00 57.90 59.27 3mr5 n TYR 39 Cb 0.47 -2.92 0.03 0.00 -0.31 0.00 0.00 39.34 36.60 3mr5 n TYR 39 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3mr5 n LYS 40 N 0.99 0.36 -0.06 -0.72 5.02 -1.26 -2.47 118.16 120.01 3mr5 n LYS 40 Ca 0.00 0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.20 3mr5 n LYS 40 Cb 0.00 -1.63 -0.04 0.00 -0.02 0.00 0.00 35.03 33.34 3mr5 n LYS 40 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3mr5 h SER 41 N 0.00 0.29 -3.44 4.39 0.02 -1.92 -2.83 113.55 110.07 3mr5 h SER 41 Ca 0.00 -0.14 -0.67 0.00 -0.84 0.00 0.00 61.79 60.14 3mr5 h SER 41 Cb 0.79 -0.08 -0.16 0.00 0.14 0.00 0.00 62.40 63.09 3mr5 h SER 41 CO 0.00 0.35 0.09 0.86 -1.14 0.00 0.00 176.83 176.99 3mr5 s TRP 42 N -5.63 3.05 -1.47 3.45 -0.11 -1.26 -4.35 118.94 112.62 3mr5 s TRP 42 Ca -0.13 -0.26 -0.05 0.00 1.22 0.00 0.00 56.10 56.87 3mr5 s TRP 42 Cb 0.08 -3.41 0.02 0.00 -1.50 0.00 0.00 33.47 28.66 3mr5 s TRP 42 CO 0.71 -0.94 0.47 1.63 -4.62 0.00 0.00 176.95 174.20 3mr5 n LYS 43 N 6.23 -3.99 -0.60 5.86 5.02 -1.26 -1.18 118.16 128.25 3mr5 n LYS 43 Ca -0.04 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 3mr5 n LYS 43 Cb 0.47 -5.56 0.00 0.00 -0.02 0.00 0.00 35.03 29.91 3mr5 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mr5 n GLY 44 N -1.33 1.44 0.00 0.72 0.00 -1.07 -1.34 105.19 103.61 3mr5 n GLY 44 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3mr5 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mr5 n GLY 45 N -2.00 1.74 3.71 -0.02 0.00 -0.32 -4.39 105.19 103.91 3mr5 n GLY 45 Ca 0.00 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 3mr5 n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mr5 s GLY 46 N -0.39 2.30 0.02 -0.02 0.00 -0.85 -0.14 107.32 108.24 3mr5 s GLY 46 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 44.72 44.13 3mr5 s GLY 46 CO 0.00 0.74 1.03 -0.42 0.00 0.00 0.00 173.10 174.46 3mr5 s ILE 47 N 0.75 4.65 0.00 0.90 1.01 -0.52 -0.29 121.20 127.70 3mr5 s ILE 47 Ca 0.23 1.91 0.00 0.00 0.00 0.00 0.00 60.65 62.79 3mr5 s ILE 47 Cb -0.15 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.10 3mr5 s ILE 47 CO 0.09 0.15 0.02 2.30 0.00 0.00 0.00 174.94 177.50 3mr5 n ILE 48 N 3.87 0.00 -3.73 2.92 -5.35 0.02 -0.74 119.36 116.36 3mr5 n ILE 48 Ca 0.07 -0.49 -0.13 0.00 -0.27 0.00 0.00 62.75 61.93 3mr5 n ILE 48 Cb 0.50 1.00 -0.09 0.00 -1.74 0.00 0.00 39.64 39.30 3mr5 n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mr5 s ALA 49 N -0.94 -1.00 -0.03 -1.28 0.00 -1.21 -4.89 121.76 112.42 3mr5 s ALA 49 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.93 3mr5 s ALA 49 Cb 0.00 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.69 3mr5 s ALA 49 CO 0.00 -0.22 -0.00 0.08 0.00 0.00 0.00 175.76 175.62 3mr5 s VAL 50 N -0.23 0.18 0.69 0.00 1.01 -1.26 -0.92 120.40 119.86 3mr5 s VAL 50 Ca -0.04 0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 3mr5 s VAL 50 Cb -0.03 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.09 3mr5 s VAL 50 CO 0.02 0.15 1.16 -0.94 0.00 0.00 0.00 175.10 175.48 3mr5 s SER 51 N 1.02 4.70 0.48 3.32 1.04 0.05 -4.72 113.70 119.59 3mr5 s SER 51 Ca -0.10 2.18 0.16 0.00 0.48 0.00 0.00 55.95 58.67 3mr5 s SER 51 Cb -0.14 -2.57 1.14 0.00 0.10 0.00 0.00 66.02 64.55 3mr5 s SER 51 CO -0.02 -1.91 2.05 1.88 0.98 0.00 0.00 173.24 176.22 3mr5 h TYR 52 N -0.07 0.00 -0.69 5.02 -1.99 -1.90 -0.87 116.97 116.47 3mr5 h TYR 52 Ca -0.47 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.20 3mr5 h TYR 52 Cb 1.27 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.97 3mr5 h TYR 52 CO 0.51 0.12 0.21 0.93 -0.00 0.00 0.00 178.16 179.93 3mr5 h GLU 53 N 0.00 1.07 -0.21 4.88 3.07 -1.91 -2.63 114.58 118.84 3mr5 h GLU 53 Ca -0.00 -0.22 -0.15 0.00 -0.50 0.00 0.00 59.36 58.48 3mr5 h GLU 53 Cb 0.22 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 3mr5 h GLU 53 CO 0.02 0.91 -0.51 0.00 -1.40 0.00 0.00 179.01 178.03 3mr5 h ALA 54 N 1.20 0.72 0.00 3.43 0.00 -1.47 -2.97 119.26 120.17 3mr5 h ALA 54 Ca 0.22 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3mr5 h ALA 54 Cb 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3mr5 h ALA 54 CO -0.01 0.68 -0.06 0.00 0.00 0.00 0.00 179.25 179.86 3mr5 h ARG 55 N 0.46 0.00 0.00 0.00 3.08 -0.92 -0.39 114.38 116.61 3mr5 h ARG 55 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3mr5 h ARG 55 Cb 1.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 3mr5 h ARG 55 CO 0.10 0.06 -0.02 0.00 -1.07 0.00 0.00 179.97 179.05 3mr5 h ALA 56 N 1.94 1.30 -0.01 0.04 0.00 -1.31 -0.02 119.26 121.20 3mr5 h ALA 56 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mr5 h ALA 56 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3mr5 h ALA 56 CO 0.01 0.02 -0.40 1.19 0.00 0.00 0.00 179.25 180.07 3mr5 n PHE 57 N -3.54 0.00 -0.02 0.00 3.72 -0.17 -4.94 117.46 112.51 3mr5 n PHE 57 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3mr5 n PHE 57 Cb 0.10 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3mr5 n PHE 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mr5 n GLY 58 N 1.39 0.72 3.75 1.37 0.00 -0.02 -4.73 105.19 107.67 3mr5 n GLY 58 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3mr5 n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mr5 s VAL 59 N -2.02 3.17 0.15 1.61 1.01 -1.15 -5.00 120.40 118.16 3mr5 s VAL 59 Ca 0.00 1.02 -0.00 0.00 0.00 0.00 0.00 61.98 63.00 3mr5 s VAL 59 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3mr5 s VAL 59 CO 0.00 0.18 0.04 0.42 0.00 0.00 0.00 175.10 175.74 3mr5 s THR 60 N -0.28 0.31 0.59 3.92 -4.23 -1.26 -4.30 115.64 110.40 3mr5 s THR 60 Ca 0.54 -1.93 -0.19 0.00 -1.18 0.00 0.00 61.69 58.93 3mr5 s THR 60 Cb -0.36 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 3mr5 s THR 60 CO 0.41 -0.47 1.19 -0.60 -0.54 0.00 0.00 174.62 174.61 3mr5 s ARG 61 N -4.00 2.99 -0.74 3.99 3.52 -1.26 -3.13 118.95 120.32 3mr5 s ARG 61 Ca 0.24 1.77 0.00 0.00 -0.13 0.00 0.00 55.73 57.61 3mr5 s ARG 61 Cb 0.07 -1.94 0.00 0.00 -1.56 0.00 0.00 34.95 31.52 3mr5 s ARG 61 CO 0.02 -1.18 0.00 0.43 -0.81 0.00 0.00 175.30 173.76 3mr5 n SER 62 N -1.63 -3.20 -4.45 -2.12 7.64 0.08 -5.01 113.62 104.93 3mr5 n SER 62 Ca 0.13 0.05 -0.32 0.00 1.01 0.00 0.00 58.87 59.75 3mr5 n SER 62 Cb 0.50 -2.20 -0.13 0.00 -1.01 0.00 0.00 64.21 61.36 3mr5 n SER 62 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 3mr5 s MET 63 N -3.93 2.24 0.35 1.43 0.00 -1.18 -4.96 119.30 113.24 3mr5 s MET 63 Ca 0.00 -0.87 -0.27 0.00 0.00 0.00 0.00 55.69 54.55 3mr5 s MET 63 Cb 0.00 -2.24 -0.09 0.00 0.00 0.00 0.00 34.83 32.50 3mr5 s MET 63 CO 0.00 0.57 1.17 -1.58 0.00 0.00 0.00 175.02 175.19 3mr5 s TRP 64 N -0.81 3.22 0.28 4.11 0.52 -1.26 -1.44 118.94 123.56 3mr5 s TRP 64 Ca 0.13 1.57 0.00 0.00 0.02 0.00 0.00 56.10 57.82 3mr5 s TRP 64 Cb -0.10 -3.41 0.52 0.00 -1.15 0.00 0.00 33.47 29.32 3mr5 s TRP 64 CO 0.03 -1.18 1.87 0.00 0.02 0.00 0.00 176.95 177.68 3mr5 h ALA 65 N 3.14 1.50 -0.97 0.98 0.00 -0.44 0.12 119.26 123.59 3mr5 h ALA 65 Ca -0.48 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.47 3mr5 h ALA 65 Cb 1.22 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 3mr5 h ALA 65 CO 0.64 0.31 0.63 -0.44 0.00 0.00 0.00 179.25 180.39 3mr5 h ASP 66 N 1.05 1.05 -0.01 0.00 3.32 -1.47 -0.65 116.42 119.70 3mr5 h ASP 66 Ca 0.45 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.31 3mr5 h ASP 66 Cb 0.34 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3mr5 h ASP 66 CO -0.21 0.71 -0.67 0.44 -1.72 0.00 0.00 179.24 177.80 3mr5 h ASP 67 N 1.21 0.73 -0.78 6.45 3.32 -1.46 -3.10 116.42 122.79 3mr5 h ASP 67 Ca 0.39 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3mr5 h ASP 67 Cb 0.02 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 3mr5 h ASP 67 CO -0.13 1.20 0.50 0.00 -1.72 0.00 0.00 179.24 179.10 3mr5 h ALA 68 N 0.80 1.41 0.00 3.45 0.00 -0.35 -1.87 119.26 122.70 3mr5 h ALA 68 Ca -0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3mr5 h ALA 68 Cb 1.25 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3mr5 h ALA 68 CO 0.13 0.53 -0.24 0.87 0.00 0.00 0.00 179.25 180.54 3mr5 h LYS 69 N 1.07 0.00 -0.67 0.00 1.79 -1.07 0.59 116.57 118.27 3mr5 h LYS 69 Ca 0.29 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.68 3mr5 h LYS 69 Cb -0.10 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.52 3mr5 h LYS 69 CO -0.06 0.24 0.14 0.87 -1.08 0.00 0.00 179.45 179.56 3mr5 h LYS 70 N 0.00 1.09 0.15 3.15 1.57 -1.29 -2.32 116.57 118.92 3mr5 h LYS 70 Ca -0.00 -0.27 -0.30 0.00 -1.87 0.00 0.00 60.65 58.21 3mr5 h LYS 70 Cb 0.45 -0.14 0.03 0.00 0.08 0.00 0.00 32.23 32.65 3mr5 h LYS 70 CO 0.03 0.98 -1.28 -0.07 -0.57 0.00 0.00 179.45 178.54 3mr5 h LEU 71 N 1.03 0.78 -6.93 2.94 3.38 -1.35 -3.41 115.31 111.74 3mr5 h LEU 71 Ca 0.21 -0.75 -0.61 0.00 0.09 0.00 0.00 57.88 56.82 3mr5 h LEU 71 Cb 0.40 -0.25 -0.40 0.00 0.09 0.00 0.00 40.66 40.50 3mr5 h LEU 71 CO 0.01 1.57 -0.75 0.00 0.09 0.00 0.00 178.44 179.35 3mr5 h PRO 73 N 6.79 0.74 -0.60 0.00 0.11 -1.67 -2.10 132.00 135.27 3mr5 h PRO 73 Ca -0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3mr5 h PRO 73 Cb 0.94 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3mr5 h PRO 73 CO 0.45 0.49 0.00 -0.25 -0.21 0.00 0.00 178.00 178.48 3mr5 n ASP 74 N -4.55 3.44 -4.69 -2.05 8.00 -1.26 -4.95 116.55 110.48 3mr5 n ASP 74 Ca 0.16 -2.29 -0.44 0.00 0.71 0.00 0.00 54.79 52.94 3mr5 n ASP 74 Cb 0.40 -0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 3mr5 n ASP 74 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3mr5 n LEU 75 N 0.75 3.78 -4.86 0.64 7.94 -0.79 -4.82 117.00 119.63 3mr5 n LEU 75 Ca 0.18 1.03 -0.36 0.00 -1.11 0.00 0.00 56.01 55.75 3mr5 n LEU 75 Cb 0.65 -1.51 -0.06 0.00 0.53 0.00 0.00 43.42 43.03 3mr5 n LEU 75 CO 0.17 0.06 0.07 -0.76 -1.11 0.00 0.00 177.39 175.82 3mr5 s LEU 76 N 1.96 4.39 -0.02 -1.96 1.43 -0.23 -4.98 118.68 119.27 3mr5 s LEU 76 Ca 0.80 0.83 0.06 0.00 -1.03 0.00 0.00 54.13 54.79 3mr5 s LEU 76 Cb -0.55 -2.82 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 3mr5 s LEU 76 CO 0.37 0.23 -0.19 -0.76 0.23 0.00 0.00 176.35 176.23 3mr5 s LEU 77 N -1.61 2.03 -0.13 1.79 1.43 -1.26 -1.05 118.68 119.88 3mr5 s LEU 77 Ca 0.29 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3mr5 s LEU 77 Cb -0.15 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 3mr5 s LEU 77 CO 0.16 0.23 -0.15 0.00 0.23 0.00 0.00 176.35 176.82 3mr5 s ALA 78 N -0.41 2.53 -0.02 4.21 0.00 -0.41 -4.97 121.76 122.69 3mr5 s ALA 78 Ca 0.06 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 50.93 3mr5 s ALA 78 Cb -0.08 -1.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 3mr5 s ALA 78 CO -0.00 0.21 0.46 -0.65 0.00 0.00 0.00 175.76 175.78 3mr5 s GLN 79 N 0.43 4.11 0.27 0.00 -0.21 -1.26 -0.79 119.66 122.20 3mr5 s GLN 79 Ca -0.11 0.49 -0.30 0.00 0.02 0.00 0.00 55.36 55.46 3mr5 s GLN 79 Cb -0.16 -3.29 -0.10 0.00 1.00 0.00 0.00 33.01 30.46 3mr5 s GLN 79 CO 0.05 0.51 1.43 0.08 -2.12 0.00 0.00 175.29 175.24 3mr5 s VAL 80 N -0.55 2.63 0.50 1.09 1.01 -0.10 -4.93 120.40 120.05 3mr5 s VAL 80 Ca 0.25 0.55 -0.24 0.00 0.00 0.00 0.00 61.98 62.55 3mr5 s VAL 80 Cb -0.17 -3.35 -0.07 0.00 0.00 0.00 0.00 36.38 32.79 3mr5 s VAL 80 CO 0.14 0.10 1.37 -1.14 0.00 0.00 0.00 175.10 175.56 3mr5 n ARG 81 N 2.03 1.92 -5.10 2.72 0.63 -1.26 -4.75 116.66 112.85 3mr5 n ARG 81 Ca 0.06 0.69 -0.32 0.00 -0.92 0.00 0.00 57.85 57.36 3mr5 n ARG 81 Cb 0.40 -2.56 -0.16 0.00 0.45 0.00 0.00 32.46 30.59 3mr5 n ARG 81 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3mr5 s GLU 82 N -2.62 3.08 -0.01 -0.14 2.02 -1.26 -0.27 118.70 119.49 3mr5 s GLU 82 Ca 0.66 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.83 3mr5 s GLU 82 Cb -0.44 -2.38 0.01 0.00 0.10 0.00 0.00 34.13 31.42 3mr5 s GLU 82 CO 0.53 0.22 -0.01 -1.12 0.02 0.00 0.00 175.26 174.90 3mr5 s SER 83 N 0.27 0.26 -1.47 -0.19 0.01 0.16 -4.85 113.70 107.89 3mr5 s SER 83 Ca -0.15 -0.03 -0.08 0.00 1.31 0.00 0.00 55.95 57.01 3mr5 s SER 83 Cb -0.17 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.03 3mr5 s SER 83 CO 0.07 -0.01 0.77 0.54 0.41 0.00 0.00 173.24 175.03 3mr5 n ARG 84 N 3.32 -5.41 -1.04 12.44 1.74 -1.26 -1.87 116.66 124.57 3mr5 n ARG 84 Ca -0.16 0.77 -0.01 0.00 -0.77 0.00 0.00 57.85 57.67 3mr5 n ARG 84 Cb 0.57 -5.65 -0.01 0.00 -1.02 0.00 0.00 32.46 26.35 3mr5 n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mr5 n GLY 85 N -1.60 0.51 3.42 -0.13 0.00 -1.26 -4.85 105.19 101.28 3mr5 n GLY 85 Ca -0.05 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 3mr5 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mr5 s LYS 86 N -1.10 1.36 0.25 1.61 -2.85 -0.78 -5.13 119.74 113.11 3mr5 s LYS 86 Ca 0.00 -1.34 -0.30 0.00 -1.00 0.00 0.00 55.97 53.33 3mr5 s LYS 86 Cb 0.00 0.39 -0.11 0.00 -2.06 0.00 0.00 37.83 36.06 3mr5 s LYS 86 CO 0.00 -0.52 1.53 0.00 0.10 0.00 0.00 175.35 176.46 3mr5 s ALA 87 N -4.05 3.71 -0.19 0.59 0.00 -1.26 -0.67 121.76 119.89 3mr5 s ALA 87 Ca 0.26 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.68 3mr5 s ALA 87 Cb 0.02 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.57 3mr5 s ALA 87 CO 0.08 -0.85 -0.15 1.21 0.00 0.00 0.00 175.76 176.04 3mr5 s ASN 88 N 0.55 3.37 -0.29 0.00 3.84 0.62 -4.79 114.94 118.24 3mr5 s ASN 88 Ca 0.63 -0.82 0.11 0.00 0.21 0.00 0.00 52.86 53.00 3mr5 s ASN 88 Cb -0.45 -1.39 0.71 0.00 -0.55 0.00 0.00 41.25 39.57 3mr5 s ASN 88 CO 0.43 -0.08 1.72 0.18 -2.79 0.00 0.00 177.10 176.56 3mr5 n LEU 89 N 4.62 5.57 -0.35 3.21 4.77 -1.26 -4.02 117.00 129.53 3mr5 n LEU 89 Ca -0.18 -3.20 0.01 0.00 -0.03 0.00 0.00 56.01 52.62 3mr5 n LEU 89 Cb 0.48 -0.70 0.16 0.00 -2.33 0.00 0.00 43.42 41.02 3mr5 n LEU 89 CO 0.23 0.80 1.25 0.74 -1.33 0.00 0.00 177.39 179.08 3mr5 h THR 90 N 2.59 1.10 -0.68 -5.08 2.02 -1.95 -1.75 112.91 109.16 3mr5 h THR 90 Ca 0.19 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 67.02 3mr5 h THR 90 Cb 2.10 -0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 68.32 3mr5 h THR 90 CO 0.60 0.21 0.40 0.50 0.37 0.00 0.00 175.52 177.59 3mr5 h LYS 91 N 1.14 0.72 -0.03 6.66 3.64 -2.00 -0.11 116.57 126.58 3mr5 h LYS 91 Ca 0.41 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.58 3mr5 h LYS 91 Cb 0.13 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3mr5 h LYS 91 CO -0.16 0.48 -0.73 1.88 -2.27 0.00 0.00 179.45 178.65 3mr5 h TYR 92 N 0.74 0.29 -0.52 1.91 -1.99 -1.78 -1.89 116.97 113.74 3mr5 h TYR 92 Ca 0.29 -0.13 -0.12 0.00 2.00 0.00 0.00 58.73 60.77 3mr5 h TYR 92 Cb 0.13 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 38.80 3mr5 h TYR 92 CO -0.06 0.87 -0.15 0.00 -0.00 0.00 0.00 178.16 178.81 3mr5 h ARG 93 N 0.14 1.01 -0.54 4.88 3.08 -0.77 -0.31 114.38 121.86 3mr5 h ARG 93 Ca -0.02 -0.40 -0.11 0.00 0.07 0.00 0.00 59.98 59.52 3mr5 h ARG 93 Cb 1.29 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 3mr5 h ARG 93 CO 0.11 1.08 -0.10 0.93 -1.07 0.00 0.00 179.97 180.92 3mr5 h GLU 94 N 0.89 1.02 -0.76 0.04 5.08 -0.95 -1.73 114.58 118.18 3mr5 h GLU 94 Ca 0.13 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 3mr5 h GLU 94 Cb 0.73 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3mr5 h GLU 94 CO 0.06 1.07 0.35 0.00 -1.00 0.00 0.00 179.01 179.48 3mr5 h ALA 95 N 0.93 0.98 -0.89 3.43 0.00 -1.19 -2.51 119.26 120.00 3mr5 h ALA 95 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3mr5 h ALA 95 Cb 0.67 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3mr5 h ALA 95 CO 0.05 0.56 0.58 1.03 0.00 0.00 0.00 179.25 181.46 3mr5 h SER 96 N 1.07 0.96 -0.86 0.00 0.87 -0.73 -2.03 113.55 112.83 3mr5 h SER 96 Ca 0.26 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 3mr5 h SER 96 Cb 0.14 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 3mr5 h SER 96 CO -0.03 0.66 0.55 0.58 -0.53 0.00 0.00 176.83 178.06 3mr5 h VAL 97 N 1.12 1.23 -0.48 2.23 2.07 -0.91 -0.32 116.25 121.19 3mr5 h VAL 97 Ca 0.36 -0.45 0.09 0.00 0.82 0.00 0.00 66.70 67.52 3mr5 h VAL 97 Cb 0.01 -0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 29.69 3mr5 h VAL 97 CO -0.12 0.23 0.04 -0.33 0.02 0.00 0.00 177.57 177.41 3mr5 h GLU 98 N 1.17 0.16 -0.11 1.57 5.08 -0.98 -0.49 114.58 120.98 3mr5 h GLU 98 Ca 0.31 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.59 3mr5 h GLU 98 Cb -0.10 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.11 3mr5 h GLU 98 CO -0.06 0.11 -0.22 0.28 -1.00 0.00 0.00 179.01 178.11 3mr5 h VAL 99 N 0.16 1.38 -0.86 3.13 2.07 -1.17 -2.96 116.25 118.01 3mr5 h VAL 99 Ca 0.24 -1.50 0.01 0.00 0.82 0.00 0.00 66.70 66.27 3mr5 h VAL 99 Cb 0.34 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 3mr5 h VAL 99 CO -0.36 0.44 0.56 0.24 0.02 0.00 0.00 177.57 178.46 3mr5 h MET 100 N -0.07 1.14 -0.60 1.57 2.86 -0.89 -1.59 114.93 117.35 3mr5 h MET 100 Ca 0.00 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 3mr5 h MET 100 Cb 0.81 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 3mr5 h MET 100 CO 0.05 0.77 0.11 0.93 1.06 0.00 0.00 176.91 179.82 3mr5 h GLU 101 N 1.17 0.96 -0.37 1.72 5.08 -1.09 -0.88 114.58 121.17 3mr5 h GLU 101 Ca 0.31 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3mr5 h GLU 101 Cb -0.11 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 3mr5 h GLU 101 CO -0.07 0.88 -0.05 0.82 -1.00 0.00 0.00 179.01 179.60 3mr5 h ILE 102 N 0.91 1.27 -0.54 3.13 2.04 -1.23 -2.89 117.51 120.20 3mr5 h ILE 102 Ca 0.19 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 3mr5 h ILE 102 Cb 0.38 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 3mr5 h ILE 102 CO 0.01 0.36 0.28 0.24 0.00 0.00 0.00 178.15 179.04 3mr5 h MET 103 N 0.49 0.75 0.00 2.37 2.86 -1.00 -2.40 114.93 118.00 3mr5 h MET 103 Ca 0.10 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3mr5 h MET 103 Cb 0.54 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 3mr5 h MET 103 CO 0.03 0.57 -0.03 0.77 1.06 0.00 0.00 176.91 179.31 3mr5 h SER 104 N 0.76 0.00 -0.13 1.22 0.02 -0.95 -1.88 113.55 112.59 3mr5 h SER 104 Ca 0.19 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.04 3mr5 h SER 104 Cb 0.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3mr5 h SER 104 CO -0.03 0.03 -0.23 0.03 -1.14 0.00 0.00 176.83 175.50 3mr5 h ARG 105 N 0.00 0.57 0.23 3.45 3.08 -1.41 -3.29 114.38 117.01 3mr5 h ARG 105 Ca -0.00 -0.21 -0.34 0.00 0.07 0.00 0.00 59.98 59.50 3mr5 h ARG 105 Cb 0.12 -0.04 0.03 0.00 0.08 0.00 0.00 29.97 30.16 3mr5 h ARG 105 CO 0.00 0.76 -1.57 0.74 -1.07 0.00 0.00 179.97 178.83 3mr5 h PHE 106 N 0.51 0.87 -2.51 3.04 -1.00 -1.48 -3.49 116.94 112.88 3mr5 h PHE 106 Ca 0.08 -0.63 0.16 0.00 2.81 0.00 0.00 57.97 60.38 3mr5 h PHE 106 Cb 0.67 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 40.15 3mr5 h PHE 106 CO 0.03 1.59 0.56 0.00 -1.61 0.00 0.00 178.31 178.87 3mr5 s ALA 107 N -2.60 -1.57 0.20 2.45 0.00 -1.15 -4.93 121.76 114.16 3mr5 s ALA 107 Ca -0.11 -0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.28 3mr5 s ALA 107 Cb 0.05 0.73 -0.10 0.00 0.00 0.00 0.00 23.12 23.80 3mr5 s ALA 107 CO 0.91 -1.06 1.45 0.08 0.00 0.00 0.00 175.76 177.14 3mr5 s VAL 108 N -2.37 2.82 0.13 0.00 1.01 -1.26 -4.37 120.40 116.36 3mr5 s VAL 108 Ca 0.20 0.64 0.07 0.00 0.00 0.00 0.00 61.98 62.88 3mr5 s VAL 108 Cb -0.02 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 3mr5 s VAL 108 CO 0.05 0.08 -0.15 0.27 0.00 0.00 0.00 175.10 175.35 3mr5 s ILE 109 N 0.48 1.45 -0.28 2.22 -4.36 -1.26 -2.46 121.20 116.98 3mr5 s ILE 109 Ca 0.63 -1.76 0.01 0.00 -0.26 0.00 0.00 60.65 59.27 3mr5 s ILE 109 Cb -0.41 -1.61 0.06 0.00 1.25 0.00 0.00 42.46 41.76 3mr5 s ILE 109 CO 0.37 -0.39 -0.05 -0.70 0.24 0.00 0.00 174.94 174.41 3mr5 s GLU 110 N -2.69 2.26 0.04 0.37 2.12 -0.11 -3.21 118.70 117.48 3mr5 s GLU 110 Ca 0.10 -1.36 -0.30 0.00 0.36 0.00 0.00 54.97 53.77 3mr5 s GLU 110 Cb -0.05 -3.04 -0.08 0.00 0.26 0.00 0.00 34.13 31.22 3mr5 s GLU 110 CO 0.04 -0.62 1.85 0.50 -0.54 0.00 0.00 175.26 176.49 3mr5 s ARG 111 N 1.15 4.15 -0.04 4.30 3.52 -0.39 -1.16 118.95 130.48 3mr5 s ARG 111 Ca -0.06 2.50 0.14 0.00 -0.13 0.00 0.00 55.73 58.18 3mr5 s ARG 111 Cb -0.20 -3.98 -0.21 0.00 -1.56 0.00 0.00 34.95 29.00 3mr5 s ARG 111 CO -0.04 -0.89 0.26 0.00 -0.81 0.00 0.00 175.30 173.82 3mr5 n ALA 112 N 6.96 2.35 -3.71 6.12 0.00 -0.51 -4.95 120.51 126.78 3mr5 n ALA 112 Ca 0.19 -0.45 0.02 0.00 0.00 0.00 0.00 53.44 53.19 3mr5 n ALA 112 Cb 0.41 -0.39 0.02 0.00 0.00 0.00 0.00 19.45 19.49 3mr5 n ALA 112 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mr5 n SER 113 N -2.10 -1.81 0.26 0.00 3.41 -0.99 -4.95 113.62 107.43 3mr5 n SER 113 Ca -0.07 -2.17 0.17 0.00 -0.26 0.00 0.00 58.87 56.55 3mr5 n SER 113 Cb 0.49 3.00 0.80 0.00 -0.26 0.00 0.00 64.21 68.24 3mr5 n SER 113 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3mr5 h ILE 114 N 1.85 0.00 0.00 -1.33 2.10 -1.99 -3.20 117.51 114.94 3mr5 h ILE 114 Ca -0.27 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.40 3mr5 h ILE 114 Cb 1.05 1.17 0.00 0.00 -1.09 0.00 0.00 36.82 37.95 3mr5 h ILE 114 CO 0.35 0.00 -0.13 -0.90 -1.08 0.00 0.00 178.15 176.38 3mr5 n ASP 115 N -2.87 1.22 -3.65 2.19 3.85 -1.26 -4.62 116.55 111.42 3mr5 n ASP 115 Ca -0.00 -2.18 -0.13 0.00 -0.71 0.00 0.00 54.79 51.76 3mr5 n ASP 115 Cb 0.20 -0.20 -0.06 0.00 -1.35 0.00 0.00 41.12 39.71 3mr5 n ASP 115 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 3mr5 s GLU 116 N -1.18 0.91 -0.07 0.11 -1.05 -1.21 -1.35 118.70 114.86 3mr5 s GLU 116 Ca 0.11 -0.26 -0.15 0.00 -0.15 0.00 0.00 54.97 54.52 3mr5 s GLU 116 Cb 0.09 0.41 0.03 0.00 -0.44 0.00 0.00 34.13 34.23 3mr5 s GLU 116 CO 0.01 -0.31 0.36 0.00 0.95 0.00 0.00 175.26 176.27 3mr5 s ALA 117 N -2.19 -0.90 0.20 -0.84 0.00 -0.85 -1.42 121.76 115.76 3mr5 s ALA 117 Ca -0.07 0.69 -0.17 0.00 0.00 0.00 0.00 51.96 52.41 3mr5 s ALA 117 Cb -0.01 -0.23 -0.08 0.00 0.00 0.00 0.00 23.12 22.80 3mr5 s ALA 117 CO -0.00 -0.23 0.66 0.71 0.00 0.00 0.00 175.76 176.89 3mr5 s TYR 118 N -0.67 3.61 -0.09 0.00 1.51 -0.31 -1.95 117.35 119.45 3mr5 s TYR 118 Ca -0.08 1.24 0.03 0.00 -1.01 0.00 0.00 57.07 57.25 3mr5 s TYR 118 Cb -0.04 -2.51 0.01 0.00 -0.11 0.00 0.00 41.96 39.31 3mr5 s TYR 118 CO 0.03 0.35 -0.17 0.08 -1.11 0.00 0.00 175.55 174.73 3mr5 s VAL 119 N -1.54 1.54 -0.54 0.71 1.01 0.64 -0.93 120.40 121.29 3mr5 s VAL 119 Ca 0.42 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 3mr5 s VAL 119 Cb -0.15 -1.38 0.08 0.00 0.00 0.00 0.00 36.38 34.93 3mr5 s VAL 119 CO 0.20 0.45 0.65 -0.62 0.00 0.00 0.00 175.10 175.77 3mr5 s ASP 120 N 0.66 6.20 0.00 3.32 -1.08 -1.03 -1.17 116.67 123.56 3mr5 s ASP 120 Ca -0.14 -1.19 0.22 0.00 -0.52 0.00 0.00 52.55 50.92 3mr5 s ASP 120 Cb -0.16 -2.29 0.63 0.00 -1.46 0.00 0.00 42.92 39.64 3mr5 s ASP 120 CO 0.04 -0.98 1.52 0.18 0.52 0.00 0.00 175.17 176.45 3mr5 n LEU 121 N 6.18 3.81 -0.09 -1.34 4.77 0.19 -4.44 117.00 126.06 3mr5 n LEU 121 Ca -0.08 -1.90 -0.06 0.00 -0.03 0.00 0.00 56.01 53.94 3mr5 n LEU 121 Cb 0.44 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3mr5 n LEU 121 CO 0.56 0.95 0.85 0.74 -1.33 0.00 0.00 177.39 179.16 3mr5 h THR 122 N 4.16 0.75 -0.14 -5.08 2.02 -1.90 0.08 112.91 112.81 3mr5 h THR 122 Ca 0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 3mr5 h THR 122 Cb 0.95 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3mr5 h THR 122 CO 0.00 0.02 -0.03 0.28 0.37 0.00 0.00 175.52 176.15 3mr5 h SER 123 N 0.08 0.27 -1.00 4.18 0.02 -1.94 -2.45 113.55 112.72 3mr5 h SER 123 Ca 0.16 -0.37 0.06 0.00 -0.84 0.00 0.00 61.79 60.80 3mr5 h SER 123 Cb 0.22 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.62 3mr5 h SER 123 CO -0.27 0.57 0.65 0.00 -1.14 0.00 0.00 176.83 176.64 3mr5 h ALA 124 N 0.70 1.41 -0.58 3.77 0.00 -1.79 -0.88 119.26 121.89 3mr5 h ALA 124 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3mr5 h ALA 124 Cb 0.46 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3mr5 h ALA 124 CO 0.01 0.45 0.20 0.28 0.00 0.00 0.00 179.25 180.19 3mr5 h VAL 125 N 1.18 1.24 -0.54 0.00 2.07 -0.91 -0.63 116.25 118.65 3mr5 h VAL 125 Ca 0.43 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 3mr5 h VAL 125 Cb 0.15 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3mr5 h VAL 125 CO -0.17 0.30 0.25 1.56 0.02 0.00 0.00 177.57 179.53 3mr5 h GLN 126 N 0.81 0.78 -0.24 1.57 4.20 -0.84 0.24 115.11 121.61 3mr5 h GLN 126 Ca 0.19 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3mr5 h GLN 126 Cb 0.26 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3mr5 h GLN 126 CO -0.01 0.65 0.12 0.93 -0.67 0.00 0.00 178.83 179.85 3mr5 h GLU 127 N 0.72 0.35 -0.54 1.46 5.08 -1.00 -2.29 114.58 118.36 3mr5 h GLU 127 Ca 0.18 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3mr5 h GLU 127 Cb 0.13 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3mr5 h GLU 127 CO -0.02 0.34 0.16 -0.09 -1.00 0.00 0.00 179.01 178.40 3mr5 h ARG 128 N 0.27 0.81 -0.82 2.33 9.65 -0.87 -2.54 114.38 123.21 3mr5 h ARG 128 Ca 0.08 -0.15 -0.03 0.00 -1.10 0.00 0.00 59.98 58.78 3mr5 h ARG 128 Cb 0.10 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.51 3mr5 h ARG 128 CO -0.01 0.71 0.39 -0.07 2.80 0.00 0.00 179.97 183.80 3mr5 h LEU 129 N 0.79 1.07 -0.86 3.80 3.38 -0.18 -1.88 115.31 121.42 3mr5 h LEU 129 Ca 0.18 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3mr5 h LEU 129 Cb 0.25 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3mr5 h LEU 129 CO -0.01 0.90 -0.36 1.56 0.09 0.00 0.00 178.44 180.62 3mr5 h GLN 130 N 1.17 0.41 -6.85 1.13 4.20 -1.13 -3.28 115.11 110.75 3mr5 h GLN 130 Ca 0.28 -0.19 -0.50 0.00 0.06 0.00 0.00 58.65 58.31 3mr5 h GLN 130 Cb 0.11 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 27.91 3mr5 h GLN 130 CO -0.04 0.72 0.46 0.15 -0.67 0.00 0.00 178.83 179.46 3mr5 s LYS 131 N -4.28 4.48 -1.61 1.46 1.02 -0.71 -3.26 119.74 116.85 3mr5 s LYS 131 Ca -0.06 1.74 -0.15 0.00 0.02 0.00 0.00 55.97 57.52 3mr5 s LYS 131 Cb 0.13 -2.99 0.11 0.00 -0.52 0.00 0.00 37.83 34.56 3mr5 s LYS 131 CO 0.79 0.09 0.85 1.28 -0.92 0.00 0.00 175.35 177.44 3mr5 n LEU 132 N 0.80 -2.14 -4.73 3.17 4.77 -1.26 -4.86 117.00 112.76 3mr5 n LEU 132 Ca 0.01 -0.91 -0.42 0.00 -0.03 0.00 0.00 56.01 54.66 3mr5 n LEU 132 Cb 0.46 -2.31 -0.03 0.00 -2.33 0.00 0.00 43.42 39.21 3mr5 n LEU 132 CO 0.52 0.38 1.11 -1.58 -1.33 0.00 0.00 177.39 176.49 3mr5 s GLN 133 N -6.75 4.28 0.00 3.23 0.74 -1.20 -2.42 119.66 117.54 3mr5 s GLN 133 Ca 0.65 2.22 0.00 0.00 0.05 0.00 0.00 55.36 58.28 3mr5 s GLN 133 Cb -0.34 -3.18 0.00 0.00 1.10 0.00 0.00 33.01 30.59 3mr5 s GLN 133 CO 0.88 -0.46 0.00 0.41 -0.55 0.00 0.00 175.29 175.57 3mr5 n GLY 134 N 3.10 1.97 3.71 2.59 0.00 -1.26 -5.01 105.19 110.29 3mr5 n GLY 134 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3mr5 n GLY 134 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mr5 s GLN 135 N -0.37 4.55 0.60 1.61 0.74 -1.01 -5.02 119.66 120.75 3mr5 s GLN 135 Ca 0.00 1.52 -0.19 0.00 0.05 0.00 0.00 55.36 56.74 3mr5 s GLN 135 Cb 0.00 -3.41 -0.03 0.00 1.10 0.00 0.00 33.01 30.66 3mr5 s GLN 135 CO 0.00 -0.06 1.21 -2.14 -0.55 0.00 0.00 175.29 173.75 3mr5 s PRO 136 N 0.82 2.94 -0.29 1.67 0.02 -1.26 -4.99 135.00 133.90 3mr5 s PRO 136 Ca 0.53 1.82 -0.16 0.00 0.02 0.00 0.00 61.00 63.21 3mr5 s PRO 136 Cb -0.24 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.33 3mr5 s PRO 136 CO 0.29 -1.23 0.41 0.42 -0.33 0.00 0.00 177.00 176.55 3mr5 s ILE 137 N -1.62 5.14 0.43 2.83 1.01 -1.26 -5.06 121.20 122.67 3mr5 s ILE 137 Ca 0.77 0.47 -0.22 0.00 0.00 0.00 0.00 60.65 61.67 3mr5 s ILE 137 Cb -0.30 -3.77 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 3mr5 s ILE 137 CO 0.34 0.05 1.02 -0.55 0.00 0.00 0.00 174.94 175.79 3mr5 s SER 138 N 1.67 6.66 0.56 3.58 0.15 -1.26 -4.93 113.70 120.13 3mr5 s SER 138 Ca 0.16 1.92 0.27 0.00 0.70 0.00 0.00 55.95 58.99 3mr5 s SER 138 Cb -0.16 -2.57 1.65 0.00 -1.71 0.00 0.00 66.02 63.23 3mr5 s SER 138 CO 0.11 -0.56 2.20 0.00 1.20 0.00 0.00 173.24 176.19 3mr5 h ALA 139 N 2.06 1.54 0.00 5.45 0.00 -1.96 -1.84 119.26 124.50 3mr5 h ALA 139 Ca -0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3mr5 h ALA 139 Cb 1.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3mr5 h ALA 139 CO 0.61 0.04 -0.04 -0.44 0.00 0.00 0.00 179.25 179.42 3mr5 h ASP 140 N 0.00 0.00 0.91 0.00 3.32 -2.01 -0.67 116.42 117.97 3mr5 h ASP 140 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mr5 h ASP 140 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3mr5 h ASP 140 CO 0.00 0.04 -0.08 0.18 -1.72 0.00 0.00 179.24 177.66 3mr5 n LEU 141 N -3.33 0.08 -3.15 1.55 4.77 -0.69 -4.02 117.00 112.21 3mr5 n LEU 141 Ca -0.02 0.41 -0.24 0.00 -0.03 0.00 0.00 56.01 56.13 3mr5 n LEU 141 Cb 0.17 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 40.76 3mr5 n LEU 141 CO 0.25 0.02 -0.04 0.18 -1.33 0.00 0.00 177.39 176.47 3mr5 n LEU 142 N -1.49 2.61 0.29 2.23 4.77 -0.26 -4.71 117.00 120.44 3mr5 n LEU 142 Ca 0.07 -5.29 0.17 0.00 -0.03 0.00 0.00 56.01 50.93 3mr5 n LEU 142 Cb 0.34 -0.03 0.81 0.00 -2.33 0.00 0.00 43.42 42.22 3mr5 n LEU 142 CO 0.28 2.23 1.02 1.55 -1.33 0.00 0.00 177.39 181.15 3mr5 h PRO 143 N 3.39 0.00 0.00 3.23 0.13 -1.70 -3.17 132.00 133.88 3mr5 h PRO 143 Ca 0.13 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.22 3mr5 h PRO 143 Cb 0.73 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.78 3mr5 h PRO 143 CO 0.68 0.05 -0.45 -1.13 -0.23 0.00 0.00 178.00 176.91 3mr5 n SER 144 N -3.24 1.36 -4.78 1.44 3.41 -1.26 -5.06 113.62 105.48 3mr5 n SER 144 Ca -0.01 -2.82 -0.36 0.00 -0.26 0.00 0.00 58.87 55.42 3mr5 n SER 144 Cb 0.24 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 63.74 3mr5 n SER 144 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mr5 s THR 145 N -1.72 5.22 -0.11 6.66 2.01 -1.20 -1.58 115.64 124.92 3mr5 s THR 145 Ca 0.26 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.36 3mr5 s THR 145 Cb 0.26 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 3mr5 s THR 145 CO -0.04 0.55 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.08 3mr5 s TYR 146 N -0.47 2.99 -0.49 4.92 2.02 0.14 -4.86 117.35 121.60 3mr5 s TYR 146 Ca 0.11 -0.13 -0.16 0.00 -0.37 0.00 0.00 57.07 56.52 3mr5 s TYR 146 Cb -0.12 -1.83 0.07 0.00 -0.40 0.00 0.00 41.96 39.69 3mr5 s TYR 146 CO 0.02 0.16 0.45 0.42 -1.57 0.00 0.00 175.55 175.03 3mr5 s ILE 147 N -0.26 5.15 0.22 2.71 -1.09 -1.26 -0.68 121.20 125.99 3mr5 s ILE 147 Ca 0.04 -0.98 -0.32 0.00 -2.23 0.00 0.00 60.65 57.16 3mr5 s ILE 147 Cb -0.13 -4.18 -0.13 0.00 -1.58 0.00 0.00 42.46 36.44 3mr5 s ILE 147 CO 0.02 -0.65 1.51 1.21 -1.23 0.00 0.00 174.94 175.80 3mr5 n GLU 148 N 5.42 2.21 0.00 2.79 4.07 -0.87 -1.78 120.64 132.48 3mr5 n GLU 148 Ca -0.11 0.79 0.00 0.00 -0.06 0.00 0.00 57.16 57.78 3mr5 n GLU 148 Cb 0.44 -2.52 0.00 0.00 -0.06 0.00 0.00 31.44 29.30 3mr5 n GLU 148 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mr5 n GLY 149 N 2.67 1.16 3.45 8.31 0.00 -1.26 -4.82 105.19 114.71 3mr5 n GLY 149 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 3mr5 n GLY 149 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mr5 s LEU 150 N 0.00 2.54 0.70 0.99 1.43 -0.74 -4.35 118.68 119.25 3mr5 s LEU 150 Ca 0.00 -0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 52.09 3mr5 s LEU 150 Cb 0.00 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 45.04 3mr5 s LEU 150 CO 0.00 0.09 1.06 -2.16 0.23 0.00 0.00 176.35 175.57 3mr5 s PRO 151 N -3.00 2.91 0.12 1.29 0.04 -1.26 -4.59 135.00 130.51 3mr5 s PRO 151 Ca 0.24 0.94 -0.06 0.00 0.04 0.00 0.00 61.00 62.16 3mr5 s PRO 151 Cb -0.07 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 3mr5 s PRO 151 CO 0.12 -1.11 0.17 -0.65 0.04 0.00 0.00 177.00 175.57 3mr5 s GLN 152 N -5.05 0.94 0.00 4.56 -0.21 -1.26 -4.98 119.66 113.65 3mr5 s GLN 152 Ca 0.58 -1.15 0.00 0.00 0.02 0.00 0.00 55.36 54.81 3mr5 s GLN 152 Cb -0.14 0.32 0.00 0.00 1.00 0.00 0.00 33.01 34.19 3mr5 s GLN 152 CO 0.55 -0.30 0.00 0.41 -2.12 0.00 0.00 175.29 173.83 3mr5 n GLY 153 N -0.10 -1.37 3.77 3.09 0.00 -1.26 -4.87 105.19 104.46 3mr5 n GLY 153 Ca -0.11 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 3mr5 n GLY 153 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mr5 s PRO 154 N -1.31 4.21 0.00 1.61 0.04 -1.26 -5.27 135.00 133.02 3mr5 s PRO 154 Ca 0.00 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.46 3mr5 s PRO 154 Cb 0.00 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.52 3mr5 s PRO 154 CO 0.00 -0.41 0.00 0.25 0.04 0.00 0.00 177.00 176.88 3mr5 n THR 155 N 0.91 0.00 0.00 1.26 -2.24 -1.26 -5.27 114.28 107.69 3mr5 n THR 155 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3mr5 n THR 155 Cb 0.40 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 3mr5 n THR 155 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3mr5 n GLU 159 N 2.38 0.00 0.21 -0.78 0.00 -1.26 -5.12 120.64 116.07 3mr5 n GLU 159 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.23 3mr5 n GLU 159 Cb 0.00 -1.86 0.45 0.00 0.00 0.00 0.00 31.44 30.04 3mr5 n GLU 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3mr5 h THR 160 N 0.00 0.89 -0.08 6.31 1.03 -1.98 -2.87 112.91 116.22 3mr5 h THR 160 Ca 0.00 -1.17 0.02 0.00 -0.01 0.00 0.00 66.41 65.25 3mr5 h THR 160 Cb 0.00 1.70 -0.00 0.00 -1.07 0.00 0.00 68.15 68.77 3mr5 h THR 160 CO 0.00 0.29 0.11 -0.37 -0.01 0.00 0.00 175.52 175.54 3mr5 h VAL 161 N 0.00 0.36 -3.11 0.00 -1.51 -2.02 -3.37 116.25 106.60 3mr5 h VAL 161 Ca -0.00 0.00 -0.65 0.00 -1.23 0.00 0.00 66.70 64.82 3mr5 h VAL 161 Cb 0.67 0.91 -0.09 0.00 -2.13 0.00 0.00 31.29 30.65 3mr5 h VAL 161 CO 0.04 0.00 -0.58 -1.10 -1.23 0.00 0.00 177.57 174.70 3mr5 s GLN 162 N -4.50 3.04 0.17 5.19 -1.52 -1.08 -5.03 119.66 115.93 3mr5 s GLN 162 Ca -0.05 -0.54 -0.14 0.00 -1.95 0.00 0.00 55.36 52.68 3mr5 s GLN 162 Cb 0.14 -2.83 0.09 0.00 -0.22 0.00 0.00 33.01 30.19 3mr5 s GLN 162 CO 0.50 0.62 1.79 -0.22 -0.25 0.00 0.00 175.29 177.73 3mr5 h LYS 163 N 3.82 0.45 -0.85 2.91 3.64 -1.85 -1.17 116.57 123.52 3mr5 h LYS 163 Ca -0.48 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3mr5 h LYS 163 Cb 1.18 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 3mr5 h LYS 163 CO 0.64 0.30 0.52 1.49 -2.27 0.00 0.00 179.45 180.13 3mr5 h GLU 164 N 0.47 1.15 -0.81 1.90 4.57 -1.93 0.17 114.58 120.10 3mr5 h GLU 164 Ca 0.19 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 3mr5 h GLU 164 Cb 0.09 -0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 28.40 3mr5 h GLU 164 CO -0.13 0.80 0.38 0.78 -1.18 0.00 0.00 179.01 179.66 3mr5 h GLY 165 N 1.18 1.25 0.99 1.92 0.00 -1.47 -1.34 103.07 105.61 3mr5 h GLY 165 Ca 0.31 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 3mr5 h GLY 165 CO -0.06 0.60 0.26 1.98 0.00 0.00 0.00 176.54 179.33 3mr5 h MET 166 N 1.15 0.85 -0.52 4.80 1.85 -0.28 -1.21 114.93 121.59 3mr5 h MET 166 Ca 0.28 -0.14 0.01 0.00 -0.61 0.00 0.00 59.70 59.24 3mr5 h MET 166 Cb 0.13 -0.15 -0.03 0.00 0.43 0.00 0.00 31.60 31.99 3mr5 h MET 166 CO -0.03 0.71 0.34 -0.09 -0.40 0.00 0.00 176.91 177.44 3mr5 h ARG 167 N 0.80 0.68 -0.35 0.39 2.43 -0.28 -1.95 114.38 116.10 3mr5 h ARG 167 Ca 0.20 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 3mr5 h ARG 167 Cb 0.15 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3mr5 h ARG 167 CO -0.02 0.45 -0.01 0.87 -1.51 0.00 0.00 179.97 179.74 3mr5 h LYS 168 N 0.70 0.63 -0.47 0.20 1.57 -1.02 -1.05 116.57 117.12 3mr5 h LYS 168 Ca 0.19 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3mr5 h LYS 168 Cb -0.08 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3mr5 h LYS 168 CO -0.04 0.75 0.29 1.96 -0.57 0.00 0.00 179.45 181.84 3mr5 h GLN 169 N 0.43 0.58 -0.57 3.15 4.20 -1.06 0.88 115.11 122.72 3mr5 h GLN 169 Ca 0.10 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 3mr5 h GLN 169 Cb 0.48 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3mr5 h GLN 169 CO 0.02 0.38 0.22 0.78 -0.67 0.00 0.00 178.83 179.56 3mr5 h GLY 170 N 0.60 0.93 1.04 3.46 0.00 -1.25 -1.10 103.07 106.73 3mr5 h GLY 170 Ca 0.18 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 3mr5 h GLY 170 CO -0.06 0.49 0.41 -2.00 0.00 0.00 0.00 176.54 175.37 3mr5 h LEU 171 N 0.79 1.10 -0.39 3.11 5.85 -0.81 -1.25 115.31 123.72 3mr5 h LEU 171 Ca 0.19 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3mr5 h LEU 171 Cb 0.22 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3mr5 h LEU 171 CO -0.01 0.93 0.08 -0.26 -0.34 0.00 0.00 178.44 178.84 3mr5 h PHE 172 N 1.20 0.67 -0.63 1.25 0.04 -0.54 -0.23 116.94 118.70 3mr5 h PHE 172 Ca 0.29 -0.08 0.02 0.00 2.80 0.00 0.00 57.97 61.00 3mr5 h PHE 172 Cb 0.11 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.04 3mr5 h PHE 172 CO 0.01 0.65 0.40 1.96 -0.60 0.00 0.00 178.31 180.74 3mr5 h GLN 173 N 0.49 0.78 0.33 1.51 4.20 -0.91 0.15 115.11 121.66 3mr5 h GLN 173 Ca 0.12 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 3mr5 h GLN 173 Cb 0.33 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3mr5 h GLN 173 CO 0.00 0.51 -0.16 2.35 -0.67 0.00 0.00 178.83 180.87 3mr5 h TRP 174 N 0.80 -0.41 -0.43 2.96 2.91 -1.01 -2.54 115.95 118.23 3mr5 h TRP 174 Ca 0.24 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.21 3mr5 h TRP 174 Cb -0.03 0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.74 3mr5 h TRP 174 CO -0.04 -0.18 0.07 -0.07 -1.03 0.00 0.00 178.44 177.19 3mr5 h LEU 175 N -0.56 0.60 -1.18 0.65 3.38 -0.92 -2.02 115.31 115.26 3mr5 h LEU 175 Ca -0.05 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 3mr5 h LEU 175 Cb 0.41 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3mr5 h LEU 175 CO 0.07 0.62 -0.10 0.44 0.09 0.00 0.00 178.44 179.57 3mr5 h ASP 176 N 0.63 0.43 0.87 -0.43 3.32 -0.87 -1.99 116.42 118.38 3mr5 h ASP 176 Ca 0.14 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3mr5 h ASP 176 Cb 0.28 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3mr5 h ASP 176 CO 0.00 0.57 -0.58 -1.54 -1.72 0.00 0.00 179.24 175.97 3mr5 n SER 177 N -4.23 0.68 0.04 6.45 3.41 -0.88 -1.69 113.62 117.39 3mr5 n SER 177 Ca 0.01 0.12 -0.12 0.00 -0.26 0.00 0.00 58.87 58.62 3mr5 n SER 177 Cb 0.30 0.11 -0.09 0.00 -0.26 0.00 0.00 64.21 64.27 3mr5 n SER 177 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3mr5 h LEU 178 N 0.00 -0.14 -0.76 1.04 3.38 -1.16 1.06 115.31 118.72 3mr5 h LEU 178 Ca 0.00 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3mr5 h LEU 178 Cb 0.73 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 3mr5 h LEU 178 CO 0.00 0.41 0.49 -0.61 0.09 0.00 0.00 178.44 178.82 3mr5 h GLN 179 N -0.78 1.01 -0.00 1.13 5.75 -1.35 -0.43 115.11 120.44 3mr5 h GLN 179 Ca -0.02 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 3mr5 h GLN 179 Cb 0.55 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.87 3mr5 h GLN 179 CO 0.03 0.69 0.00 -0.89 -2.65 0.00 0.00 178.83 176.01 3mr5 n ILE 180 N -4.53 0.00 -3.21 2.39 5.41 -0.69 -4.91 119.36 113.82 3mr5 n ILE 180 Ca 0.07 -0.02 -0.16 0.00 1.00 0.00 0.00 62.75 63.64 3mr5 n ILE 180 Cb 0.03 -0.39 0.05 0.00 -0.71 0.00 0.00 39.64 38.63 3mr5 n ILE 180 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3mr5 n ASP 181 N -0.87 -4.71 -0.74 4.38 9.92 -0.17 -4.93 116.55 119.43 3mr5 n ASP 181 Ca 0.22 -0.37 0.13 0.00 -0.53 0.00 0.00 54.79 54.24 3mr5 n ASP 181 Cb 0.13 -3.55 0.27 0.00 -0.64 0.00 0.00 41.12 37.32 3mr5 n ASP 181 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3mr5 n ASN 182 N -1.61 2.34 0.00 -2.24 3.02 0.36 -4.92 115.26 112.21 3mr5 n ASN 182 Ca -0.01 -1.76 0.00 0.00 -0.03 0.00 0.00 54.58 52.78 3mr5 n ASN 182 Cb 0.55 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 3mr5 n ASN 182 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3mr5 n LEU 183 N 0.80 0.00 -4.35 3.41 4.77 -0.52 -4.95 117.00 116.17 3mr5 n LEU 183 Ca 0.16 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.95 3mr5 n LEU 183 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 3mr5 n LEU 183 CO 0.16 0.00 -0.24 0.42 -1.33 0.00 0.00 177.39 176.40 3mr5 s THR 184 N 2.92 0.59 0.23 -5.08 -4.23 -1.26 -5.01 115.64 103.79 3mr5 s THR 184 Ca 0.00 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.43 3mr5 s THR 184 Cb 0.00 -2.61 0.20 0.00 1.34 0.00 0.00 72.50 71.43 3mr5 s THR 184 CO 0.00 0.00 1.88 -1.28 -0.54 0.00 0.00 174.62 174.68 3mr5 h SER 185 N 2.27 0.93 -0.84 3.99 0.87 -2.01 -0.91 113.55 117.85 3mr5 h SER 185 Ca -0.37 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 3mr5 h SER 185 Cb 1.25 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.95 3mr5 h SER 185 CO 0.60 0.65 0.54 -0.65 -0.53 0.00 0.00 176.83 177.44 3mr5 h PRO 186 N 1.09 1.12 -0.64 2.24 0.11 -1.96 0.91 132.00 134.87 3mr5 h PRO 186 Ca 0.33 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 66.33 3mr5 h PRO 186 Cb -0.04 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 30.80 3mr5 h PRO 186 CO -0.10 0.76 0.26 -0.44 -0.21 0.00 0.00 178.00 178.27 3mr5 h ASP 187 N 1.14 0.88 -0.72 -2.05 3.32 -1.82 0.26 116.42 117.44 3mr5 h ASP 187 Ca 0.31 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 3mr5 h ASP 187 Cb -0.10 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.19 3mr5 h ASP 187 CO -0.06 0.80 0.31 0.25 -1.72 0.00 0.00 179.24 178.82 3mr5 h LEU 188 N 0.90 0.97 -0.71 1.55 5.85 -0.71 -1.65 115.31 121.50 3mr5 h LEU 188 Ca 0.21 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3mr5 h LEU 188 Cb 0.20 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3mr5 h LEU 188 CO -0.02 0.85 0.21 1.56 -0.34 0.00 0.00 178.44 180.71 3mr5 h GLN 189 N 1.01 1.11 -0.71 1.25 4.20 -0.33 -0.92 115.11 120.73 3mr5 h GLN 189 Ca 0.24 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3mr5 h GLN 189 Cb 0.17 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 3mr5 h GLN 189 CO -0.02 0.96 0.32 -0.07 -0.67 0.00 0.00 178.83 179.34 3mr5 h LEU 190 N 1.05 0.95 -0.39 1.46 3.38 -0.75 -0.91 115.31 120.11 3mr5 h LEU 190 Ca 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3mr5 h LEU 190 Cb 0.32 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3mr5 h LEU 190 CO -0.01 0.84 0.22 0.74 0.09 0.00 0.00 178.44 180.32 3mr5 h THR 191 N 1.00 1.15 -0.70 0.22 2.02 -0.78 -0.11 112.91 115.71 3mr5 h THR 191 Ca 0.24 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 3mr5 h THR 191 Cb 0.16 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 3mr5 h THR 191 CO -0.03 0.15 0.27 0.58 0.37 0.00 0.00 175.52 176.86 3mr5 h VAL 192 N 0.51 1.24 -1.01 3.16 2.07 -1.01 -1.45 116.25 119.76 3mr5 h VAL 192 Ca 0.14 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.90 3mr5 h VAL 192 Cb 0.05 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 3mr5 h VAL 192 CO -0.02 0.31 0.67 1.23 0.02 0.00 0.00 177.57 179.77 3mr5 h GLY 193 N 1.08 1.44 1.16 2.17 0.00 -0.62 -1.80 103.07 106.50 3mr5 h GLY 193 Ca 0.23 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 3mr5 h GLY 193 CO -0.02 0.49 0.26 0.00 0.00 0.00 0.00 176.54 177.27 3mr5 h ALA 194 N 1.38 1.12 -0.59 3.60 0.00 -0.30 0.25 119.26 124.72 3mr5 h ALA 194 Ca 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3mr5 h ALA 194 Cb -0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 3mr5 h ALA 194 CO -0.09 0.62 0.32 0.28 0.00 0.00 0.00 179.25 180.38 3mr5 h VAL 195 N 1.03 1.19 -0.65 0.00 2.07 -0.55 -0.26 116.25 119.09 3mr5 h VAL 195 Ca 0.23 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 3mr5 h VAL 195 Cb 0.24 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3mr5 h VAL 195 CO -0.02 0.21 0.19 0.40 0.02 0.00 0.00 177.57 178.37 3mr5 h ILE 196 N 0.80 1.25 -0.30 4.57 2.04 -0.85 -2.30 117.51 122.72 3mr5 h ILE 196 Ca 0.21 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 65.11 3mr5 h ILE 196 Cb 0.05 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3mr5 h ILE 196 CO -0.03 0.34 -0.12 0.58 0.00 0.00 0.00 178.15 178.91 3mr5 h VAL 197 N 0.95 1.23 -0.74 1.67 2.07 -0.65 0.41 116.25 121.19 3mr5 h VAL 197 Ca 0.21 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.73 3mr5 h VAL 197 Cb 0.32 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3mr5 h VAL 197 CO -0.00 0.34 0.48 -0.33 0.02 0.00 0.00 177.57 178.07 3mr5 h GLU 198 N 0.47 0.91 -0.53 1.57 4.39 -0.64 0.00 114.58 120.76 3mr5 h GLU 198 Ca 0.09 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 3mr5 h GLU 198 Cb 0.50 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 3mr5 h GLU 198 CO 0.03 0.60 0.05 0.93 -1.16 0.00 0.00 179.01 179.47 3mr5 h GLU 199 N 0.94 0.90 -0.23 2.33 5.08 -0.79 -1.29 114.58 121.52 3mr5 h GLU 199 Ca 0.29 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3mr5 h GLU 199 Cb -0.02 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3mr5 h GLU 199 CO -0.10 0.89 0.14 0.52 -1.00 0.00 0.00 179.01 179.47 3mr5 h MET 200 N 0.78 0.32 -0.17 2.33 2.86 -0.52 -1.39 114.93 119.15 3mr5 h MET 200 Ca 0.16 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.68 3mr5 h MET 200 Cb 0.45 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3mr5 h MET 200 CO 0.02 0.26 -0.28 0.00 1.06 0.00 0.00 176.91 177.96 3mr5 h ARG 201 N 0.29 0.32 -0.57 1.72 3.08 -0.90 -0.90 114.38 117.41 3mr5 h ARG 201 Ca 0.08 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 3mr5 h ARG 201 Cb 0.03 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3mr5 h ARG 201 CO -0.02 0.58 0.05 0.00 -1.07 0.00 0.00 179.97 179.52 3mr5 h ALA 202 N 1.42 0.76 -0.50 0.04 0.00 -0.99 -1.64 119.26 118.34 3mr5 h ALA 202 Ca 0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3mr5 h ALA 202 Cb 0.65 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3mr5 h ALA 202 CO 0.05 0.54 0.15 0.00 0.00 0.00 0.00 179.25 179.99 3mr5 h ALA 203 N 0.99 0.65 -0.30 0.00 0.00 -0.88 0.34 119.26 120.06 3mr5 h ALA 203 Ca 0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3mr5 h ALA 203 Cb 0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3mr5 h ALA 203 CO 0.02 0.31 0.19 0.82 0.00 0.00 0.00 179.25 180.59 3mr5 h ILE 204 N 0.67 1.10 -0.41 0.00 2.04 -1.02 -0.42 117.51 119.47 3mr5 h ILE 204 Ca 0.16 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 3mr5 h ILE 204 Cb 0.28 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3mr5 h ILE 204 CO -0.00 0.09 -0.06 -0.08 0.00 0.00 0.00 178.15 178.10 3mr5 h GLU 205 N 0.39 0.77 -0.52 2.37 4.81 -1.15 -0.68 114.58 120.57 3mr5 h GLU 205 Ca 0.11 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 3mr5 h GLU 205 Cb -0.01 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3mr5 h GLU 205 CO -0.02 0.88 0.01 -0.09 -0.73 0.00 0.00 179.01 179.05 3mr5 h ARG 206 N 0.59 0.87 0.00 1.92 2.43 -0.75 0.16 114.38 119.60 3mr5 h ARG 206 Ca 0.11 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3mr5 h ARG 206 Cb 0.57 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3mr5 h ARG 206 CO 0.03 0.86 -1.01 0.39 -1.51 0.00 0.00 179.97 178.73 3mr5 n GLU 207 N -4.21 0.24 0.00 0.20 1.02 -0.18 -4.48 120.64 113.23 3mr5 n GLU 207 Ca 0.03 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3mr5 n GLU 207 Cb 0.31 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3mr5 n GLU 207 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3mr5 n THR 208 N -1.87 0.00 -0.40 2.62 -2.24 -0.27 -5.01 114.28 107.11 3mr5 n THR 208 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3mr5 n THR 208 Cb 0.42 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3mr5 n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mr5 n GLY 209 N 1.90 0.92 3.81 3.38 0.00 0.55 -5.03 105.19 110.72 3mr5 n GLY 209 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3mr5 n GLY 209 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mr5 s PHE 210 N -2.91 3.68 0.18 1.61 2.99 -1.26 -4.96 117.98 117.30 3mr5 s PHE 210 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 56.93 57.88 3mr5 s PHE 210 Cb 0.00 -2.33 -0.04 0.00 0.00 0.00 0.00 43.02 40.65 3mr5 s PHE 210 CO 0.00 0.54 0.35 -0.65 -0.00 0.00 0.00 175.22 175.46 3mr5 s GLN 211 N -0.70 3.49 0.22 0.44 -0.21 -1.26 -3.32 119.66 118.33 3mr5 s GLN 211 Ca 0.23 -0.42 -0.11 0.00 0.02 0.00 0.00 55.36 55.09 3mr5 s GLN 211 Cb -0.16 -2.89 -0.01 0.00 1.00 0.00 0.00 33.01 30.96 3mr5 s GLN 211 CO 0.12 0.45 0.41 0.00 -2.12 0.00 0.00 175.29 174.15 3mr5 s SER 213 N -3.02 3.98 0.06 0.00 0.01 -0.51 -3.89 113.70 110.33 3mr5 s SER 213 Ca 0.22 -1.10 -0.15 0.00 1.31 0.00 0.00 55.95 56.24 3mr5 s SER 213 Cb 0.01 -0.45 0.03 0.00 0.21 0.00 0.00 66.02 65.82 3mr5 s SER 213 CO 0.07 -0.24 0.34 0.00 0.41 0.00 0.00 173.24 173.82 3mr5 s ALA 214 N -2.57 -0.78 -0.04 1.44 0.00 -0.96 -1.49 121.76 117.36 3mr5 s ALA 214 Ca 0.34 0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.41 3mr5 s ALA 214 Cb 0.01 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 3mr5 s ALA 214 CO 0.18 -0.46 -0.23 0.20 0.00 0.00 0.00 175.76 175.46 3mr5 s GLY 215 N -2.18 1.16 -0.12 0.00 0.00 -0.25 -0.69 107.32 105.23 3mr5 s GLY 215 Ca -0.03 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.76 3mr5 s GLY 215 CO -0.05 -0.62 -0.19 -0.42 0.00 0.00 0.00 173.10 171.82 3mr5 s ILE 216 N -0.22 1.80 0.00 0.90 1.09 0.05 -1.22 121.20 123.61 3mr5 s ILE 216 Ca -0.00 -0.83 0.00 0.00 -1.10 0.00 0.00 60.65 58.72 3mr5 s ILE 216 Cb -0.12 -1.61 0.00 0.00 -1.06 0.00 0.00 42.46 39.67 3mr5 s ILE 216 CO 0.02 0.50 0.00 -0.24 -0.10 0.00 0.00 174.94 175.12 3mr5 n SER 217 N 4.12 0.00 -0.35 3.58 2.88 -0.00 -0.85 113.62 123.00 3mr5 n SER 217 Ca -0.19 -0.04 0.11 0.00 -1.33 0.00 0.00 58.87 57.41 3mr5 n SER 217 Cb 0.51 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.04 3mr5 n SER 217 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3mr5 n HIS 218 N 0.00 0.00 -3.95 0.66 8.25 -1.26 -0.04 115.22 118.88 3mr5 n HIS 218 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 3mr5 n HIS 218 Cb 0.00 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.04 3mr5 n HIS 218 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3mr5 s ASN 219 N -2.59 -0.13 0.15 0.41 2.20 -1.26 -4.28 114.94 109.44 3mr5 s ASN 219 Ca 0.18 -0.83 -0.14 0.00 -0.94 0.00 0.00 52.86 51.13 3mr5 s ASN 219 Cb 0.18 0.64 0.03 0.00 -2.00 0.00 0.00 41.25 40.10 3mr5 s ASN 219 CO 0.62 -1.23 1.68 0.11 -2.94 0.00 0.00 177.10 175.34 3mr5 h LYS 220 N 2.16 0.76 -0.15 3.55 1.57 -1.89 -1.12 116.57 121.46 3mr5 h LYS 220 Ca -0.24 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3mr5 h LYS 220 Cb 1.25 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 3mr5 h LYS 220 CO 0.31 0.71 0.08 0.28 -0.57 0.00 0.00 179.45 180.26 3mr5 h VAL 221 N 0.67 1.09 -0.21 0.50 2.07 -1.95 -0.14 116.25 118.28 3mr5 h VAL 221 Ca 0.16 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.32 3mr5 h VAL 221 Cb 0.26 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3mr5 h VAL 221 CO -0.01 0.09 -0.32 -0.07 0.02 0.00 0.00 177.57 177.28 3mr5 h LEU 222 N 0.14 0.45 -0.55 2.57 3.38 -1.93 -1.81 115.31 117.55 3mr5 h LEU 222 Ca 0.05 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3mr5 h LEU 222 Cb 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3mr5 h LEU 222 CO -0.01 0.75 0.13 0.00 0.09 0.00 0.00 178.44 179.40 3mr5 h ALA 223 N 1.28 0.73 -0.31 1.53 0.00 -0.90 0.03 119.26 121.62 3mr5 h ALA 223 Ca 0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3mr5 h ALA 223 Cb 0.75 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3mr5 h ALA 223 CO 0.06 0.43 0.04 -0.22 0.00 0.00 0.00 179.25 179.57 3mr5 h LYS 224 N 0.79 0.52 -0.55 0.00 3.64 -0.84 -1.17 116.57 118.96 3mr5 h LYS 224 Ca 0.17 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3mr5 h LYS 224 Cb 0.35 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3mr5 h LYS 224 CO 0.00 0.62 0.36 1.25 -2.27 0.00 0.00 179.45 179.41 3mr5 h LEU 225 N 0.34 0.61 -0.91 5.20 5.85 -1.21 -2.78 115.31 122.42 3mr5 h LEU 225 Ca 0.09 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3mr5 h LEU 225 Cb 0.36 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3mr5 h LEU 225 CO 0.01 0.44 0.32 0.00 -0.34 0.00 0.00 178.44 178.86 3mr5 h ALA 226 N 1.21 1.14 -0.82 1.25 0.00 -0.83 -2.85 119.26 118.35 3mr5 h ALA 226 Ca 0.20 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.04 3mr5 h ALA 226 Cb -0.07 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 17.35 3mr5 h ALA 226 CO -0.05 0.63 0.46 0.00 0.00 0.00 0.00 179.25 180.29 3mr5 n GLY 228 N -1.32 -1.54 0.22 0.00 0.00 -1.08 -3.95 105.19 97.51 3mr5 n GLY 228 Ca 0.14 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.10 3mr5 n GLY 228 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mr5 h LEU 229 N 0.00 0.15 -2.82 0.99 3.38 -1.38 -3.25 115.31 112.38 3mr5 h LEU 229 Ca 0.00 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3mr5 h LEU 229 Cb 0.55 -0.04 -0.15 0.00 0.09 0.00 0.00 40.66 41.11 3mr5 h LEU 229 CO 0.00 0.42 -0.65 0.59 0.09 0.00 0.00 178.44 178.89 3mr5 n ASN 230 N -4.18 1.21 -4.74 -0.43 3.02 -1.25 -5.07 115.26 103.81 3mr5 n ASN 230 Ca -0.01 -2.71 -0.37 0.00 -0.03 0.00 0.00 54.58 51.46 3mr5 n ASN 230 Cb 0.35 -0.37 0.05 0.00 -0.61 0.00 0.00 39.78 39.20 3mr5 n ASN 230 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3mr5 s LYS 231 N -1.34 2.91 0.46 3.52 2.20 -1.23 -4.11 119.74 122.15 3mr5 s LYS 231 Ca 0.29 2.06 0.06 0.00 -0.36 0.00 0.00 55.97 58.02 3mr5 s LYS 231 Cb 0.30 -2.04 0.02 0.00 -1.51 0.00 0.00 37.83 34.60 3mr5 s LYS 231 CO -0.08 -1.32 0.63 -1.25 -0.36 0.00 0.00 175.35 172.97 3mr5 s PRO 232 N -3.16 2.75 -1.50 4.03 0.04 -1.26 -4.97 135.00 130.92 3mr5 s PRO 232 Ca 0.77 -1.10 -0.12 0.00 0.04 0.00 0.00 61.00 60.59 3mr5 s PRO 232 Cb -0.37 -2.68 0.08 0.00 0.04 0.00 0.00 34.50 31.57 3mr5 s PRO 232 CO 0.41 -0.40 0.89 -1.71 0.04 0.00 0.00 177.00 176.23 3mr5 n ASN 233 N -2.00 -4.87 -3.86 6.66 5.15 -1.25 -4.97 115.26 110.12 3mr5 n ASN 233 Ca 0.08 -0.67 -0.09 0.00 -0.60 0.00 0.00 54.58 53.30 3mr5 n ASN 233 Cb 0.59 -3.90 -0.07 0.00 -0.53 0.00 0.00 39.78 35.87 3mr5 n ASN 233 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3mr5 s ARG 234 N -6.46 0.85 0.08 1.20 1.81 -1.25 -4.97 118.95 110.21 3mr5 s ARG 234 Ca 0.60 -0.97 0.08 0.00 -1.72 0.00 0.00 55.73 53.72 3mr5 s ARG 234 Cb -0.30 0.34 -0.03 0.00 -0.45 0.00 0.00 34.95 34.51 3mr5 s ARG 234 CO 0.74 -0.27 -0.20 1.14 -0.68 0.00 0.00 175.30 176.03 3mr5 s GLN 235 N -3.87 1.16 -0.06 3.54 -2.07 -0.61 -2.27 119.66 115.48 3mr5 s GLN 235 Ca 0.05 -1.06 0.03 0.00 -1.82 0.00 0.00 55.36 52.56 3mr5 s GLN 235 Cb 0.05 -1.35 0.01 0.00 -1.09 0.00 0.00 33.01 30.63 3mr5 s GLN 235 CO -0.11 0.32 -0.15 0.99 -1.32 0.00 0.00 175.29 175.03 3mr5 s THR 236 N -1.06 1.32 -0.28 3.63 2.01 0.14 -0.69 115.64 120.71 3mr5 s THR 236 Ca 0.06 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 3mr5 s THR 236 Cb -0.10 -1.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 3mr5 s THR 236 CO 0.03 0.39 0.19 -0.22 -0.69 0.00 0.00 174.62 174.32 3mr5 s LEU 237 N 0.39 4.04 -0.37 4.42 0.20 0.14 -0.77 118.68 126.73 3mr5 s LEU 237 Ca -0.11 -0.06 -0.06 0.00 0.69 0.00 0.00 54.13 54.59 3mr5 s LEU 237 Cb -0.14 -2.11 0.06 0.00 -0.43 0.00 0.00 46.19 43.57 3mr5 s LEU 237 CO 0.04 -0.07 0.15 -0.69 -0.29 0.00 0.00 176.35 175.49 3mr5 s VAL 238 N 1.75 3.73 0.64 1.68 1.01 -0.03 -2.04 120.40 127.14 3mr5 s VAL 238 Ca 0.07 -1.39 -0.10 0.00 0.00 0.00 0.00 61.98 60.56 3mr5 s VAL 238 Cb -0.16 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 3mr5 s VAL 238 CO 0.11 -0.35 1.02 -0.94 0.00 0.00 0.00 175.10 174.93 3mr5 s SER 239 N 1.66 5.76 0.28 3.32 1.04 -1.26 -4.45 113.70 120.06 3mr5 s SER 239 Ca 0.01 1.12 -0.02 0.00 0.48 0.00 0.00 55.95 57.54 3mr5 s SER 239 Cb -0.21 -2.07 0.43 0.00 0.10 0.00 0.00 66.02 64.27 3mr5 s SER 239 CO 0.01 -1.09 1.91 -0.74 0.98 0.00 0.00 173.24 174.31 3mr5 h HIS 240 N -0.40 1.14 0.00 5.02 2.76 -1.96 -2.24 115.15 119.47 3mr5 h HIS 240 Ca -0.45 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 57.72 3mr5 h HIS 240 Cb 1.23 -0.38 -0.00 0.00 1.55 0.00 0.00 27.41 29.81 3mr5 h HIS 240 CO 0.55 0.63 -0.16 0.78 -1.30 0.00 0.00 177.93 178.43 3mr5 h GLY 241 N 1.15 0.00 2.00 5.26 0.00 -2.00 -2.45 103.07 107.04 3mr5 h GLY 241 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3mr5 h GLY 241 CO -0.13 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.27 3mr5 n SER 242 N -3.69 0.41 -0.02 0.19 3.41 -0.84 -4.22 113.62 108.85 3mr5 n SER 242 Ca -0.02 0.55 -0.12 0.00 -0.26 0.00 0.00 58.87 59.03 3mr5 n SER 242 Cb 0.28 -0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 63.51 3mr5 n SER 242 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3mr5 h VAL 243 N 0.00 1.16 -0.40 -3.33 2.07 -1.49 -1.93 116.25 112.33 3mr5 h VAL 243 Ca 0.00 -0.49 0.08 0.00 0.82 0.00 0.00 66.70 67.12 3mr5 h VAL 243 Cb 0.56 1.31 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 3mr5 h VAL 243 CO 0.00 0.14 -0.14 -0.65 0.02 0.00 0.00 177.57 176.94 3mr5 h PRO 244 N -0.02 -0.05 -0.30 1.57 0.11 -1.80 0.20 132.00 131.71 3mr5 h PRO 244 Ca 0.03 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.96 3mr5 h PRO 244 Cb 0.19 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.32 3mr5 h PRO 244 CO -0.00 -0.03 -0.53 1.96 -0.21 0.00 0.00 178.00 179.19 3mr5 h GLN 245 N -0.05 0.88 -0.71 1.05 4.20 -1.83 -2.15 115.11 116.49 3mr5 h GLN 245 Ca 0.20 -0.55 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 3mr5 h GLN 245 Cb 0.35 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 3mr5 h GLN 245 CO -0.44 1.19 0.41 1.25 -0.67 0.00 0.00 178.83 180.56 3mr5 h LEU 246 N 0.67 0.87 0.00 1.46 5.85 -0.84 -2.74 115.31 120.59 3mr5 h LEU 246 Ca 0.02 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3mr5 h LEU 246 Cb 1.14 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.95 3mr5 h LEU 246 CO 0.12 0.70 -0.15 -0.26 -0.34 0.00 0.00 178.44 178.51 3mr5 h PHE 247 N 0.98 0.00 -0.15 1.25 0.05 -0.62 -3.28 116.94 115.16 3mr5 h PHE 247 Ca 0.25 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 62.02 3mr5 h PHE 247 Cb 0.01 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.95 3mr5 h PHE 247 CO -0.01 0.00 0.02 0.66 -0.18 0.00 0.00 178.31 178.80 3mr5 h SER 248 N 0.00 0.19 0.00 2.17 4.64 -1.06 -0.63 113.55 118.86 3mr5 h SER 248 Ca 0.00 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3mr5 h SER 248 Cb 0.80 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 3mr5 h SER 248 CO 0.00 0.22 -0.23 0.00 -0.87 0.00 0.00 176.83 175.95 3mr5 n GLN 249 N -4.42 1.08 -3.18 4.77 6.02 -1.25 -4.71 117.38 115.67 3mr5 n GLN 249 Ca -0.01 -2.45 -0.41 0.00 -0.01 0.00 0.00 57.00 54.12 3mr5 n GLN 249 Cb 0.15 -1.29 -0.07 0.00 1.02 0.00 0.00 30.24 30.05 3mr5 n GLN 249 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3mr5 s MET 250 N -2.36 3.75 0.24 -1.09 1.75 -1.05 -4.99 119.30 115.56 3mr5 s MET 250 Ca 0.28 0.05 -0.31 0.00 -1.25 0.00 0.00 55.69 54.46 3mr5 s MET 250 Cb 0.26 -3.77 -0.13 0.00 2.84 0.00 0.00 34.83 34.03 3mr5 s MET 250 CO -0.01 -0.61 1.52 -2.30 -0.65 0.00 0.00 175.02 172.97 3mr5 n PRO 251 N 5.82 2.32 -0.13 4.11 -0.02 -1.26 -1.00 135.00 144.83 3mr5 n PRO 251 Ca -0.03 0.83 0.10 0.00 -2.02 0.00 0.00 63.50 62.37 3mr5 n PRO 251 Cb 0.49 -2.56 0.43 0.00 -0.02 0.00 0.00 33.50 31.84 3mr5 n PRO 251 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3mr5 h ILE 252 N 3.29 0.94 0.00 4.25 2.04 -1.78 -1.56 117.51 124.69 3mr5 h ILE 252 Ca -0.45 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3mr5 h ILE 252 Cb 1.25 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3mr5 h ILE 252 CO 0.80 0.10 0.00 -2.11 0.00 0.00 0.00 178.15 176.95 3mr5 n ARG 253 N -4.48 0.18 0.14 2.37 1.85 -1.26 -2.18 116.66 113.28 3mr5 n ARG 253 Ca 0.11 0.49 0.13 0.00 -1.00 0.00 0.00 57.85 57.57 3mr5 n ARG 253 Cb 0.32 -1.90 0.34 0.00 -1.05 0.00 0.00 32.46 30.16 3mr5 n ARG 253 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 3mr5 h LYS 254 N 0.00 0.00 -6.59 2.89 1.79 -1.58 -3.28 116.57 109.80 3mr5 h LYS 254 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 3mr5 h LYS 254 Cb 0.26 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.88 3mr5 h LYS 254 CO 0.00 0.00 0.28 0.42 -1.08 0.00 0.00 179.45 179.07 3mr5 s ILE 255 N -3.14 4.33 0.07 1.86 1.09 -0.93 -4.94 121.20 119.54 3mr5 s ILE 255 Ca 0.09 1.91 -0.35 0.00 -1.10 0.00 0.00 60.65 61.20 3mr5 s ILE 255 Cb 0.10 -4.24 -0.15 0.00 -1.06 0.00 0.00 42.46 37.11 3mr5 s ILE 255 CO 0.62 0.45 1.56 -1.14 -0.10 0.00 0.00 174.94 176.33 3mr5 n ARG 256 N 1.95 1.77 -0.53 2.79 0.63 -1.26 -0.93 116.66 121.07 3mr5 n ARG 256 Ca -0.02 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 3mr5 n ARG 256 Cb 0.48 -2.38 0.00 0.00 0.45 0.00 0.00 32.46 31.02 3mr5 n ARG 256 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3mr5 n SER 257 N 3.72 0.00 -0.62 6.15 3.41 -1.26 -4.86 113.62 120.16 3mr5 n SER 257 Ca 0.19 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.85 3mr5 n SER 257 Cb 0.25 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.34 3mr5 n SER 257 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mr5 n LEU 258 N 0.00 2.85 0.00 1.04 4.77 -0.11 -4.56 117.00 121.00 3mr5 n LEU 258 Ca 0.00 -1.93 0.13 0.00 -0.03 0.00 0.00 56.01 54.18 3mr5 n LEU 258 Cb 0.00 -0.21 0.63 0.00 -2.33 0.00 0.00 43.42 41.50 3mr5 n LEU 258 CO 0.00 0.71 0.94 0.61 -1.33 0.00 0.00 177.39 178.31 3mr5 n GLY 259 N 0.52 -1.25 0.00 -0.72 0.00 -1.24 -3.49 105.19 99.01 3mr5 n GLY 259 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3mr5 n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mr5 n GLY 260 N 1.06 3.83 0.26 -0.02 0.00 -1.26 -4.93 105.19 104.13 3mr5 n GLY 260 Ca 0.10 -1.59 -0.07 0.00 0.00 0.00 0.00 46.02 44.47 3mr5 n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mr5 h LYS 261 N 0.00 0.85 -0.30 1.61 1.57 -1.94 -2.03 116.57 116.33 3mr5 h LYS 261 Ca 0.00 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3mr5 h LYS 261 Cb 0.00 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 3mr5 h LYS 261 CO 0.00 0.67 0.12 1.25 -0.57 0.00 0.00 179.45 180.92 3mr5 h LEU 262 N 0.81 0.17 -0.82 2.94 5.85 -1.88 0.18 115.31 122.56 3mr5 h LEU 262 Ca 0.21 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.98 3mr5 h LEU 262 Cb 0.08 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3mr5 h LEU 262 CO -0.03 0.13 0.53 1.23 -0.34 0.00 0.00 178.44 179.96 3mr5 h GLY 263 N 0.27 1.18 1.15 3.75 0.00 -1.55 0.26 103.07 108.13 3mr5 h GLY 263 Ca 0.13 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 3mr5 h GLY 263 CO -0.11 0.35 0.30 0.00 0.00 0.00 0.00 176.54 177.08 3mr5 h ALA 264 N 1.33 1.14 -0.28 3.60 0.00 -0.74 -2.06 119.26 122.25 3mr5 h ALA 264 Ca 0.32 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 3mr5 h ALA 264 Cb -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3mr5 h ALA 264 CO -0.10 0.62 -0.38 0.66 0.00 0.00 0.00 179.25 180.05 3mr5 h SER 265 N 1.06 0.69 -0.55 0.00 4.64 0.12 -0.86 113.55 118.66 3mr5 h SER 265 Ca 0.25 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3mr5 h SER 265 Cb 0.20 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 3mr5 h SER 265 CO -0.02 1.00 0.35 0.58 -0.87 0.00 0.00 176.83 177.86 3mr5 h VAL 266 N 0.54 1.16 -0.11 0.95 2.07 -0.59 0.12 116.25 120.38 3mr5 h VAL 266 Ca 0.05 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3mr5 h VAL 266 Cb 0.90 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3mr5 h VAL 266 CO 0.08 0.16 0.00 0.40 0.02 0.00 0.00 177.57 178.23 3mr5 h ILE 267 N 0.74 1.25 -0.09 4.57 2.04 -1.22 -2.16 117.51 122.65 3mr5 h ILE 267 Ca 0.20 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 3mr5 h ILE 267 Cb -0.04 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3mr5 h ILE 267 CO -0.04 0.23 -0.05 -0.33 0.00 0.00 0.00 178.15 177.96 3mr5 h GLU 268 N -0.07 0.19 -0.34 2.37 5.08 -1.03 0.11 114.58 120.89 3mr5 h GLU 268 Ca 0.03 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 3mr5 h GLU 268 Cb 0.36 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3mr5 h GLU 268 CO 0.01 0.57 -0.42 0.82 -1.00 0.00 0.00 179.01 178.99 3mr5 h ILE 269 N -0.19 1.28 0.00 3.13 2.04 -0.86 -3.24 117.51 119.67 3mr5 h ILE 269 Ca 0.02 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.28 3mr5 h ILE 269 Cb 0.52 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3mr5 h ILE 269 CO 0.02 0.53 -1.01 0.18 0.00 0.00 0.00 178.15 177.87 3mr5 n LEU 270 N -4.04 0.76 -2.25 1.44 4.77 -0.81 -4.97 117.00 111.89 3mr5 n LEU 270 Ca -0.02 0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 56.09 3mr5 n LEU 270 Cb 0.55 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.61 3mr5 n LEU 270 CO 0.48 -0.13 0.13 0.61 -1.33 0.00 0.00 177.39 177.15 3mr5 n GLY 271 N 1.23 0.10 3.39 -0.72 0.00 0.36 -5.04 105.19 104.50 3mr5 n GLY 271 Ca 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 3mr5 n GLY 271 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mr5 s ILE 272 N -3.18 1.20 0.00 -0.61 -4.36 -1.12 -5.07 121.20 108.06 3mr5 s ILE 272 Ca 0.29 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.63 3mr5 s ILE 272 Cb -0.13 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.06 3mr5 s ILE 272 CO 0.41 -0.21 0.00 -0.62 0.24 0.00 0.00 174.94 174.76 3mr5 n GLU 273 N -0.54 2.35 -4.27 0.37 1.02 -1.26 -4.53 120.64 113.77 3mr5 n GLU 273 Ca -0.04 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.82 3mr5 n GLU 273 Cb 0.65 -1.00 -0.09 0.00 -0.02 0.00 0.00 31.44 30.97 3mr5 n GLU 273 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3mr5 s TYR 274 N -2.00 2.66 0.28 -0.32 4.12 -1.26 -2.34 117.35 118.49 3mr5 s TYR 274 Ca 0.00 -0.21 0.00 0.00 0.02 0.00 0.00 57.07 56.89 3mr5 s TYR 274 Cb 0.00 -1.32 0.53 0.00 -1.52 0.00 0.00 41.96 39.65 3mr5 s TYR 274 CO 0.00 0.49 1.83 0.52 0.02 0.00 0.00 175.55 178.40 3mr5 h MET 275 N 3.08 0.91 -0.16 -0.62 2.86 -1.08 -2.00 114.93 117.93 3mr5 h MET 275 Ca -0.47 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.11 3mr5 h MET 275 Cb 1.19 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 3mr5 h MET 275 CO 0.53 0.60 0.10 0.78 1.06 0.00 0.00 176.91 179.99 3mr5 h GLY 276 N 0.94 0.23 2.00 8.32 0.00 -1.40 -2.24 103.07 110.93 3mr5 h GLY 276 Ca 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3mr5 h GLY 276 CO -0.27 0.09 0.00 0.83 0.00 0.00 0.00 176.54 177.19 3mr5 h GLU 277 N 0.22 0.00 0.00 4.80 5.08 -1.63 -2.48 114.58 120.58 3mr5 h GLU 277 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3mr5 h GLU 277 Cb -0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3mr5 h GLU 277 CO -0.01 0.00 -0.04 -0.07 -1.00 0.00 0.00 179.01 177.89 3mr5 h LEU 278 N 0.00 0.00 -1.55 1.33 3.38 -1.55 -3.01 115.31 113.91 3mr5 h LEU 278 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mr5 h LEU 278 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3mr5 h LEU 278 CO 0.00 0.04 0.00 0.71 0.09 0.00 0.00 178.44 179.28 3mr5 h THR 279 N 0.00 0.00 -0.00 0.22 1.35 -1.65 -2.59 112.91 110.24 3mr5 h THR 279 Ca -0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3mr5 h THR 279 Cb 0.33 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3mr5 h THR 279 CO 0.01 0.00 -0.05 0.00 -0.25 0.00 0.00 175.52 175.22 3mr5 n GLN 280 N -2.69 0.50 -4.02 4.72 6.02 -1.14 -4.82 117.38 115.96 3mr5 n GLN 280 Ca -0.00 -0.08 -0.34 0.00 -0.01 0.00 0.00 57.00 56.57 3mr5 n GLN 280 Cb 0.19 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.88 3mr5 n GLN 280 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3mr5 s PHE 281 N -2.55 3.41 0.67 1.08 0.08 -0.98 -5.10 117.98 114.60 3mr5 s PHE 281 Ca 0.28 0.31 -0.13 0.00 0.12 0.00 0.00 56.93 57.51 3mr5 s PHE 281 Cb 0.20 -1.80 0.00 0.00 -0.57 0.00 0.00 43.02 40.85 3mr5 s PHE 281 CO 0.47 0.61 1.07 0.95 -0.10 0.00 0.00 175.22 178.22 3mr5 s THR 282 N -1.19 3.70 0.23 0.64 -4.23 -1.26 -4.90 115.64 108.63 3mr5 s THR 282 Ca 0.22 0.66 -0.07 0.00 -1.18 0.00 0.00 61.69 61.33 3mr5 s THR 282 Cb -0.12 -3.25 0.20 0.00 1.34 0.00 0.00 72.50 70.67 3mr5 s THR 282 CO 0.13 -0.61 1.86 -0.08 -0.54 0.00 0.00 174.62 175.38 3mr5 h GLU 283 N -0.32 0.96 -0.82 3.99 4.81 -1.98 -2.12 114.58 119.09 3mr5 h GLU 283 Ca -0.45 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3mr5 h GLU 283 Cb 1.22 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 3mr5 h GLU 283 CO 0.55 0.63 0.52 0.77 -0.73 0.00 0.00 179.01 180.76 3mr5 h SER 284 N 0.98 0.97 -0.23 1.04 0.02 -1.94 -0.13 113.55 114.26 3mr5 h SER 284 Ca 0.35 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3mr5 h SER 284 Cb 0.10 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3mr5 h SER 284 CO -0.15 0.73 0.15 1.56 -1.14 0.00 0.00 176.83 177.97 3mr5 h GLN 285 N 1.12 0.29 -0.50 3.45 4.20 -1.77 -0.12 115.11 121.78 3mr5 h GLN 285 Ca 0.30 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.93 3mr5 h GLN 285 Cb -0.09 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3mr5 h GLN 285 CO -0.06 0.19 0.05 -0.07 -0.67 0.00 0.00 178.83 178.27 3mr5 h LEU 286 N 0.30 0.76 -0.80 1.46 3.38 -0.99 -2.49 115.31 116.94 3mr5 h LEU 286 Ca 0.09 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 3mr5 h LEU 286 Cb -0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3mr5 h LEU 286 CO -0.03 0.80 -0.12 1.56 0.09 0.00 0.00 178.44 180.74 3mr5 h GLN 287 N 0.76 0.78 -0.75 1.13 4.20 -0.67 -0.86 115.11 119.71 3mr5 h GLN 287 Ca 0.16 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 3mr5 h GLN 287 Cb 0.39 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 3mr5 h GLN 287 CO 0.01 0.86 0.29 0.66 -0.67 0.00 0.00 178.83 179.98 3mr5 h SER 288 N 0.70 1.03 0.31 1.46 4.64 -0.59 0.45 113.55 121.54 3mr5 h SER 288 Ca 0.12 -0.16 -0.33 0.00 -0.47 0.00 0.00 61.79 60.95 3mr5 h SER 288 Cb 0.61 -0.27 0.03 0.00 -0.31 0.00 0.00 62.40 62.46 3mr5 h SER 288 CO 0.04 0.92 -1.47 0.45 -0.87 0.00 0.00 176.83 175.90 3mr5 h HIS 289 N 1.09 0.91 0.00 4.77 3.86 -1.29 -3.39 115.15 121.10 3mr5 h HIS 289 Ca 0.25 -0.67 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 3mr5 h HIS 289 Cb 0.22 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3mr5 h HIS 289 CO 0.02 1.54 0.00 1.19 0.86 0.00 0.00 177.93 181.53 3mr5 n PHE 290 N -3.69 0.00 0.00 2.45 3.72 -0.34 -5.11 117.46 114.49 3mr5 n PHE 290 Ca -0.16 -0.33 0.00 0.00 -0.05 0.00 0.00 57.45 56.90 3mr5 n PHE 290 Cb 1.10 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 3mr5 n PHE 290 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mr5 n GLY 291 N -0.33 1.22 0.27 1.37 0.00 0.16 -4.28 105.19 103.60 3mr5 n GLY 291 Ca 0.00 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 3mr5 n GLY 291 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3mr5 h GLU 292 N 0.00 -0.36 0.12 1.61 4.81 -1.92 0.34 114.58 119.19 3mr5 h GLU 292 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3mr5 h GLU 292 Cb 0.00 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3mr5 h GLU 292 CO 0.00 -0.24 -0.06 -0.22 -0.73 0.00 0.00 179.01 177.76 3mr5 h LYS 293 N -0.37 -0.16 -0.75 1.92 3.64 -1.94 -2.06 116.57 116.85 3mr5 h LYS 293 Ca 0.06 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3mr5 h LYS 293 Cb 0.46 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 3mr5 h LYS 293 CO -0.21 0.16 0.30 -0.91 -2.27 0.00 0.00 179.45 176.51 3mr5 h ASN 294 N -0.49 1.02 -0.32 4.20 2.35 -1.72 -1.76 115.58 118.86 3mr5 h ASN 294 Ca -0.02 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.56 3mr5 h ASN 294 Cb 0.39 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3mr5 h ASN 294 CO 0.03 0.90 0.11 1.23 -1.65 0.00 0.00 177.43 178.05 3mr5 h GLY 295 N 1.12 0.53 1.04 2.83 0.00 -0.30 -0.51 103.07 107.78 3mr5 h GLY 295 Ca 0.25 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 3mr5 h GLY 295 CO -0.02 0.29 0.19 1.76 0.00 0.00 0.00 176.54 178.76 3mr5 h SER 296 N 0.37 0.99 -0.32 0.19 0.02 -1.26 -1.68 113.55 111.86 3mr5 h SER 296 Ca 0.11 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3mr5 h SER 296 Cb 0.23 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3mr5 h SER 296 CO -0.01 0.95 0.17 -0.25 -1.14 0.00 0.00 176.83 176.55 3mr5 h TRP 297 N 0.98 0.45 -0.60 3.45 7.01 -1.14 -2.32 115.95 123.79 3mr5 h TRP 297 Ca 0.21 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.15 3mr5 h TRP 297 Cb 0.33 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.22 3mr5 h TRP 297 CO 0.02 0.37 0.18 -0.07 -2.79 0.00 0.00 178.44 176.16 3mr5 h LEU 298 N 0.39 0.89 -0.61 0.65 3.38 -0.98 0.14 115.31 119.16 3mr5 h LEU 298 Ca 0.11 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3mr5 h LEU 298 Cb 0.08 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3mr5 h LEU 298 CO -0.02 0.87 0.36 0.22 0.09 0.00 0.00 178.44 179.96 3mr5 h TYR 299 N 0.86 0.67 -0.05 1.13 3.20 -1.13 -1.72 116.97 119.92 3mr5 h TYR 299 Ca 0.19 0.02 -0.24 0.00 3.14 0.00 0.00 58.73 61.84 3mr5 h TYR 299 Cb 0.30 -0.21 0.02 0.00 1.54 0.00 0.00 36.73 38.38 3mr5 h TYR 299 CO 0.02 0.36 -0.92 0.00 -1.64 0.00 0.00 178.16 175.98 3mr5 h ALA 300 N 1.29 0.18 -0.65 1.82 0.00 -1.23 -3.35 119.26 117.32 3mr5 h ALA 300 Ca 0.26 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 3mr5 h ALA 300 Cb 0.08 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3mr5 h ALA 300 CO -0.13 0.66 0.20 1.98 0.00 0.00 0.00 179.25 181.95 3mr5 h MET 301 N 0.41 1.01 0.00 0.00 1.85 -0.27 -0.78 114.93 117.15 3mr5 h MET 301 Ca -0.10 -0.22 0.00 0.00 -0.61 0.00 0.00 59.70 58.77 3mr5 h MET 301 Cb 1.57 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 33.45 3mr5 h MET 301 CO 0.18 0.88 0.00 0.00 -0.40 0.00 0.00 176.91 177.58 3mr5 n ARG 303 N -2.33 2.62 -0.95 0.00 1.74 -0.65 -4.76 116.66 112.32 3mr5 n ARG 303 Ca 0.00 -2.49 0.00 0.00 -0.77 0.00 0.00 57.85 54.60 3mr5 n ARG 303 Cb 0.14 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 3mr5 n ARG 303 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mr5 n GLY 304 N 1.60 0.43 3.30 -0.13 0.00 0.24 -5.01 105.19 105.62 3mr5 n GLY 304 Ca 0.22 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 3mr5 n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mr5 s ILE 305 N -2.00 2.82 -0.05 -0.61 1.01 -0.39 -4.90 121.20 117.08 3mr5 s ILE 305 Ca 0.00 -0.73 -0.22 0.00 0.00 0.00 0.00 60.65 59.70 3mr5 s ILE 305 Cb 0.00 -2.19 0.05 0.00 0.01 0.00 0.00 42.46 40.33 3mr5 s ILE 305 CO 0.00 0.51 0.50 -1.83 0.00 0.00 0.00 174.94 174.12 3mr5 s GLU 306 N 0.66 0.84 -0.02 2.79 -1.05 -1.26 -2.25 118.70 118.41 3mr5 s GLU 306 Ca -0.07 0.11 0.03 0.00 -0.15 0.00 0.00 54.97 54.89 3mr5 s GLU 306 Cb -0.16 0.39 0.05 0.00 -0.44 0.00 0.00 34.13 33.97 3mr5 s GLU 306 CO 0.02 -0.24 1.01 0.72 0.95 0.00 0.00 175.26 177.72 3mr5 n HIS 307 N 1.27 0.00 -1.66 4.83 8.25 -1.26 -4.81 115.22 121.84 3mr5 n HIS 307 Ca -0.20 -0.56 -0.49 0.00 -0.26 0.00 0.00 57.72 56.21 3mr5 n HIS 307 Cb 0.56 -0.07 -0.05 0.00 1.12 0.00 0.00 29.99 31.56 3mr5 n HIS 307 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3mr5 n ASP 308 N -0.64 3.27 -4.78 0.41 4.64 -1.26 -4.91 116.55 113.27 3mr5 n ASP 308 Ca 0.03 0.87 -0.35 0.00 -1.38 0.00 0.00 54.79 53.96 3mr5 n ASP 308 Cb 0.33 -1.36 -0.02 0.00 -1.04 0.00 0.00 41.12 39.03 3mr5 n ASP 308 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3mr5 s PRO 309 N 4.43 3.64 -0.62 -0.67 0.04 -1.26 -4.66 135.00 135.91 3mr5 s PRO 309 Ca 0.95 1.52 -0.27 0.00 0.04 0.00 0.00 61.00 63.24 3mr5 s PRO 309 Cb -0.70 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 31.71 3mr5 s PRO 309 CO 0.51 -0.59 1.55 0.08 0.04 0.00 0.00 177.00 178.59 3mr5 s VAL 310 N -1.82 3.61 0.20 -0.36 1.01 -1.26 -4.98 120.40 116.80 3mr5 s VAL 310 Ca 0.68 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.80 3mr5 s VAL 310 Cb -0.21 -4.37 -0.08 0.00 0.00 0.00 0.00 36.38 31.72 3mr5 s VAL 310 CO 0.25 -1.24 1.24 -0.54 0.00 0.00 0.00 175.10 174.81 3mr5 s LYS 311 N 6.10 4.46 -1.24 2.72 1.02 -1.26 -4.88 119.74 126.65 3mr5 s LYS 311 Ca 0.54 1.95 -0.18 0.00 0.02 0.00 0.00 55.97 58.29 3mr5 s LYS 311 Cb -0.11 -3.22 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 3mr5 s LYS 311 CO 0.21 -0.14 1.97 -0.35 -0.92 0.00 0.00 175.35 176.12 3mr5 n PRO 312 N 2.44 2.52 -3.68 -1.68 -0.04 -1.26 -3.62 135.00 129.68 3mr5 n PRO 312 Ca 0.05 -2.67 -0.24 0.00 -0.04 0.00 0.00 63.50 60.60 3mr5 n PRO 312 Cb 0.44 -3.36 -0.17 0.00 -0.04 0.00 0.00 33.50 30.36 3mr5 n PRO 312 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3mr5 s ARG 313 N 4.39 0.24 0.00 0.54 3.52 -1.20 -4.99 118.95 121.46 3mr5 s ARG 313 Ca 0.55 0.02 0.15 0.00 -0.13 0.00 0.00 55.73 56.31 3mr5 s ARG 313 Cb 0.08 -1.36 -0.09 0.00 -1.56 0.00 0.00 34.95 32.02 3mr5 s ARG 313 CO 0.04 -0.50 0.69 0.94 -0.81 0.00 0.00 175.30 175.67 3mr5 n GLN 314 N 5.22 2.05 -4.36 5.12 7.27 -1.26 -1.26 117.38 130.16 3mr5 n GLN 314 Ca -0.06 -0.32 -0.29 0.00 0.07 0.00 0.00 57.00 56.40 3mr5 n GLN 314 Cb 0.49 -1.20 -0.12 0.00 2.41 0.00 0.00 30.24 31.82 3mr5 n GLN 314 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3mr5 s LEU 315 N -2.39 2.54 0.42 1.69 1.43 -1.26 -4.77 118.68 116.35 3mr5 s LEU 315 Ca 0.08 -0.63 -0.25 0.00 -1.03 0.00 0.00 54.13 52.30 3mr5 s LEU 315 Cb 0.11 -1.42 -0.08 0.00 0.03 0.00 0.00 46.19 44.84 3mr5 s LEU 315 CO 0.50 0.18 1.27 -2.84 0.23 0.00 0.00 176.35 175.70 3mr5 s PRO 316 N -2.07 3.88 0.23 1.29 0.02 -1.26 -4.93 135.00 132.16 3mr5 s PRO 316 Ca 0.16 2.06 0.25 0.00 0.02 0.00 0.00 61.00 63.49 3mr5 s PRO 316 Cb -0.10 -2.65 0.51 0.00 0.02 0.00 0.00 34.50 32.27 3mr5 s PRO 316 CO 0.08 -0.54 1.54 0.87 -0.33 0.00 0.00 177.00 178.63 3mr5 h LYS 317 N 2.48 0.00 -4.43 5.54 1.57 -1.99 -3.46 116.57 116.28 3mr5 h LYS 317 Ca -0.50 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.03 3mr5 h LYS 317 Cb 1.25 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.35 3mr5 h LYS 317 CO 0.62 0.00 -0.73 0.95 -0.57 0.00 0.00 179.45 179.72 3mr5 s THR 318 N -3.17 0.44 -0.18 -0.16 -4.23 -1.26 -4.33 115.64 102.75 3mr5 s THR 318 Ca 0.08 -1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 59.55 3mr5 s THR 318 Cb 0.11 -0.52 0.05 0.00 1.34 0.00 0.00 72.50 73.47 3mr5 s THR 318 CO 0.67 -0.40 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.67 3mr5 s ILE 319 N -1.38 1.09 0.14 2.99 1.01 -0.62 -4.99 121.20 119.43 3mr5 s ILE 319 Ca -0.11 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.84 3mr5 s ILE 319 Cb -0.10 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 3mr5 s ILE 319 CO 0.00 0.05 0.02 -0.83 0.00 0.00 0.00 174.94 174.18 3mr5 s GLY 320 N 1.63 1.02 -0.03 6.18 0.00 -1.26 -0.11 107.32 114.74 3mr5 s GLY 320 Ca -0.00 -1.49 0.03 0.00 0.00 0.00 0.00 44.72 43.26 3mr5 s GLY 320 CO -0.07 -1.43 -0.12 0.00 0.00 0.00 0.00 173.10 171.48 3mr5 s SER 322 N 0.13 0.08 -0.04 0.00 1.04 -1.26 -1.08 113.70 112.56 3mr5 s SER 322 Ca -0.03 -0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.09 3mr5 s SER 322 Cb -0.10 0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.24 3mr5 s SER 322 CO 0.01 -0.37 0.10 -0.75 0.98 0.00 0.00 173.24 173.21 3mr5 s LYS 323 N -1.49 0.05 0.10 4.02 2.20 -0.31 -4.97 119.74 119.34 3mr5 s LYS 323 Ca -0.14 0.26 -0.09 0.00 -0.36 0.00 0.00 55.97 55.64 3mr5 s LYS 323 Cb -0.08 -0.15 -0.06 0.00 -1.51 0.00 0.00 37.83 36.04 3mr5 s LYS 323 CO 0.01 -0.13 0.40 -0.80 -0.36 0.00 0.00 175.35 174.46 3mr5 s ASN 324 N 0.88 6.60 -0.52 1.43 -0.87 -1.26 -1.37 114.94 119.84 3mr5 s ASN 324 Ca -0.07 0.75 0.06 0.00 -1.57 0.00 0.00 52.86 52.03 3mr5 s ASN 324 Cb -0.09 -2.16 0.22 0.00 -0.02 0.00 0.00 41.25 39.20 3mr5 s ASN 324 CO -0.04 0.14 0.55 0.49 -2.57 0.00 0.00 177.10 175.67 3mr5 n PHE 325 N 0.69 1.28 -1.68 2.20 3.01 0.16 -4.94 117.46 118.18 3mr5 n PHE 325 Ca -0.06 -3.81 -0.33 0.00 1.01 0.00 0.00 57.45 54.26 3mr5 n PHE 325 Cb 0.52 -0.34 0.06 0.00 -0.01 0.00 0.00 39.48 39.71 3mr5 n PHE 325 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3mr5 s PRO 326 N -1.39 2.66 6.75 -1.08 0.04 -1.26 -2.99 135.00 137.74 3mr5 s PRO 326 Ca 0.35 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.84 3mr5 s PRO 326 Cb 0.11 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.72 3mr5 s PRO 326 CO -0.11 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 175.97 3mr5 n GLY 327 N -0.36 3.55 0.03 0.56 0.00 -1.26 -1.96 105.19 105.75 3mr5 n GLY 327 Ca 0.11 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.24 3mr5 n GLY 327 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mr5 n LYS 328 N 14.00 0.83 0.00 1.61 5.02 -1.26 -3.16 118.16 135.21 3mr5 n LYS 328 Ca 0.00 -0.06 0.14 0.00 -2.02 0.00 0.00 58.31 56.37 3mr5 n LYS 328 Cb 0.00 -1.50 0.62 0.00 -0.02 0.00 0.00 35.03 34.13 3mr5 n LYS 328 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3mr5 n THR 329 N -1.03 0.00 -1.60 -0.18 -2.24 -0.83 -4.91 114.28 103.50 3mr5 n THR 329 Ca 0.20 -0.09 -0.47 0.00 -2.27 0.00 0.00 64.05 61.41 3mr5 n THR 329 Cb 0.17 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 3mr5 n THR 329 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mr5 n ALA 330 N -0.71 -0.33 -2.03 6.98 0.00 -1.16 -4.83 120.51 118.43 3mr5 n ALA 330 Ca 0.16 0.44 -0.42 0.00 0.00 0.00 0.00 53.44 53.62 3mr5 n ALA 330 Cb 0.28 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.62 3mr5 n ALA 330 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mr5 s LEU 331 N 0.52 4.35 -0.01 0.00 1.43 -0.62 -4.74 118.68 119.61 3mr5 s LEU 331 Ca 0.70 2.39 0.01 0.00 -1.03 0.00 0.00 54.13 56.20 3mr5 s LEU 331 Cb -0.79 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 41.88 3mr5 s LEU 331 CO 0.53 -0.81 0.96 0.00 0.23 0.00 0.00 176.35 177.25 3mr5 n ALA 332 N 5.17 1.91 -2.89 4.21 0.00 -1.26 -2.22 120.51 125.44 3mr5 n ALA 332 Ca 0.14 -1.04 -0.12 0.00 0.00 0.00 0.00 53.44 52.43 3mr5 n ALA 332 Cb 0.41 -0.02 -0.13 0.00 0.00 0.00 0.00 19.45 19.71 3mr5 n ALA 332 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3mr5 s THR 333 N -0.99 0.20 0.20 0.00 -4.23 -1.26 0.29 115.64 109.85 3mr5 s THR 333 Ca 0.02 -0.54 -0.11 0.00 -1.18 0.00 0.00 61.69 59.87 3mr5 s THR 333 Cb 0.01 -0.26 0.13 0.00 1.34 0.00 0.00 72.50 73.73 3mr5 s THR 333 CO 0.00 -0.22 1.72 -0.09 -0.54 0.00 0.00 174.62 175.49 3mr5 h ARG 334 N 5.32 0.28 -0.90 3.99 2.43 -1.63 -1.32 114.38 122.54 3mr5 h ARG 334 Ca -0.29 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 3mr5 h ARG 334 Cb 1.21 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 3mr5 h ARG 334 CO 0.46 0.18 0.53 0.93 -1.51 0.00 0.00 179.97 180.55 3mr5 h GLU 335 N 0.29 1.24 0.11 0.20 5.08 -1.95 -1.10 114.58 118.44 3mr5 h GLU 335 Ca 0.28 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3mr5 h GLU 335 Cb 0.38 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3mr5 h GLU 335 CO -0.34 0.88 -0.05 1.96 -1.00 0.00 0.00 179.01 180.46 3mr5 h GLN 336 N 1.25 -0.14 -0.58 2.33 4.20 -1.70 0.30 115.11 120.78 3mr5 h GLN 336 Ca 0.32 0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.10 3mr5 h GLN 336 Cb -0.02 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 3mr5 h GLN 336 CO -0.06 0.03 0.27 0.28 -0.67 0.00 0.00 178.83 178.68 3mr5 h VAL 337 N -0.28 0.90 -0.67 -0.54 2.07 -1.03 -0.96 116.25 115.73 3mr5 h VAL 337 Ca -0.01 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 3mr5 h VAL 337 Cb 0.23 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3mr5 h VAL 337 CO 0.02 0.09 0.13 1.56 0.02 0.00 0.00 177.57 179.40 3mr5 h GLN 338 N 0.51 1.10 -0.26 1.57 4.20 -1.08 -1.56 115.11 119.59 3mr5 h GLN 338 Ca 0.27 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3mr5 h GLN 338 Cb 0.23 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3mr5 h GLN 338 CO -0.21 0.99 0.12 2.35 -0.67 0.00 0.00 178.83 181.41 3mr5 h TRP 339 N 1.02 0.38 -0.56 2.96 7.01 -0.30 -1.85 115.95 124.60 3mr5 h TRP 339 Ca 0.21 -0.02 -0.10 0.00 2.11 0.00 0.00 58.89 61.09 3mr5 h TRP 339 Cb 0.41 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.33 3mr5 h TRP 339 CO 0.03 0.36 -0.03 -1.49 -2.79 0.00 0.00 178.44 174.52 3mr5 h TRP 340 N 0.29 1.09 -0.98 2.65 4.06 -1.08 -1.32 115.95 120.65 3mr5 h TRP 340 Ca 0.09 -0.19 0.02 0.00 2.06 0.00 0.00 58.89 60.87 3mr5 h TRP 340 Cb 0.13 -0.28 -0.05 0.00 -1.00 0.00 0.00 29.16 27.95 3mr5 h TRP 340 CO -0.02 0.98 0.64 -0.07 -3.56 0.00 0.00 178.44 176.42 3mr5 h LEU 341 N 0.91 1.09 -0.53 -4.49 3.38 -1.15 -0.94 115.31 113.59 3mr5 h LEU 341 Ca 0.16 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3mr5 h LEU 341 Cb 0.57 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3mr5 h LEU 341 CO 0.03 0.77 0.17 0.25 0.09 0.00 0.00 178.44 179.75 3mr5 h LEU 342 N 1.28 0.77 -0.03 1.67 5.85 -0.80 0.14 115.31 124.18 3mr5 h LEU 342 Ca 0.37 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.90 3mr5 h LEU 342 Cb -0.07 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 3mr5 h LEU 342 CO -0.10 0.77 -0.03 1.56 -0.34 0.00 0.00 178.44 180.30 3mr5 h GLN 343 N 0.73 -0.04 -0.58 1.25 1.08 -0.58 0.11 115.11 117.07 3mr5 h GLN 343 Ca 0.17 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.35 3mr5 h GLN 343 Cb 0.27 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 3mr5 h GLN 343 CO -0.01 -0.03 0.28 -0.07 -0.95 0.00 0.00 178.83 178.05 3mr5 h LEU 344 N -0.04 0.77 -1.18 1.46 3.38 -1.08 -2.01 115.31 116.61 3mr5 h LEU 344 Ca 0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3mr5 h LEU 344 Cb 0.08 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3mr5 h LEU 344 CO -0.06 0.69 0.35 0.00 0.09 0.00 0.00 178.44 179.51 3mr5 h ALA 345 N 1.11 1.37 -0.29 1.53 0.00 -0.38 0.10 119.26 122.71 3mr5 h ALA 345 Ca 0.20 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3mr5 h ALA 345 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3mr5 h ALA 345 CO -0.02 0.51 -0.25 1.96 0.00 0.00 0.00 179.25 181.44 3mr5 h GLN 346 N 0.92 0.68 -0.41 0.00 4.20 -0.46 0.25 115.11 120.29 3mr5 h GLN 346 Ca 0.23 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 3mr5 h GLN 346 Cb 0.04 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3mr5 h GLN 346 CO -0.04 0.95 0.19 1.49 -0.67 0.00 0.00 178.83 180.76 3mr5 h GLU 347 N 0.42 0.60 -0.80 1.46 4.81 -1.03 -2.16 114.58 117.88 3mr5 h GLU 347 Ca 0.05 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3mr5 h GLU 347 Cb 0.81 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 3mr5 h GLU 347 CO 0.06 0.53 0.52 1.25 -0.73 0.00 0.00 179.01 180.65 3mr5 h LEU 348 N 0.53 0.89 -0.66 1.64 5.85 -0.65 -1.73 115.31 121.18 3mr5 h LEU 348 Ca 0.14 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.86 3mr5 h LEU 348 Cb 0.14 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3mr5 h LEU 348 CO -0.02 0.64 0.43 -0.08 -0.34 0.00 0.00 178.44 179.07 3mr5 h GLU 349 N 1.05 0.84 -0.14 1.25 4.81 -0.26 0.60 114.58 122.73 3mr5 h GLU 349 Ca 0.30 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3mr5 h GLU 349 Cb -0.09 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 3mr5 h GLU 349 CO -0.08 0.55 0.08 0.93 -0.73 0.00 0.00 179.01 179.76 3mr5 h GLU 350 N 0.86 0.20 -0.63 1.92 5.08 -0.81 -0.47 114.58 120.72 3mr5 h GLU 350 Ca 0.25 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 3mr5 h GLU 350 Cb -0.07 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 3mr5 h GLU 350 CO -0.07 0.22 0.09 0.00 -1.00 0.00 0.00 179.01 178.25 3mr5 h ARG 351 N 0.12 1.05 -0.20 2.33 3.08 -1.08 -2.16 114.38 117.52 3mr5 h ARG 351 Ca 0.05 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 3mr5 h ARG 351 Cb 0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3mr5 h ARG 351 CO -0.01 0.97 0.01 -0.07 -1.07 0.00 0.00 179.97 179.80 3mr5 h LEU 352 N 0.98 0.34 -0.75 3.04 3.38 -0.73 -0.35 115.31 121.22 3mr5 h LEU 352 Ca 0.19 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3mr5 h LEU 352 Cb 0.44 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3mr5 h LEU 352 CO 0.01 0.54 0.47 0.74 0.09 0.00 0.00 178.44 180.30 3mr5 h THR 353 N 0.12 1.10 -0.45 0.22 2.02 -0.99 0.34 112.91 115.27 3mr5 h THR 353 Ca 0.06 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 3mr5 h THR 353 Cb 0.36 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 3mr5 h THR 353 CO 0.01 0.17 0.20 0.50 0.37 0.00 0.00 175.52 176.76 3mr5 h LYS 354 N 0.91 0.66 -0.16 6.66 3.64 -1.25 -1.79 116.57 125.24 3mr5 h LYS 354 Ca 0.30 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 3mr5 h LYS 354 Cb 0.03 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 3mr5 h LYS 354 CO -0.12 0.58 -0.10 0.22 -2.27 0.00 0.00 179.45 177.76 3mr5 h ASP 355 N 0.58 -0.34 -0.61 4.20 3.58 -0.30 0.18 116.42 123.71 3mr5 h ASP 355 Ca 0.15 0.07 0.06 0.00 0.42 0.00 0.00 57.03 57.74 3mr5 h ASP 355 Cb 0.15 0.18 -0.06 0.00 1.72 0.00 0.00 39.33 41.32 3mr5 h ASP 355 CO -0.02 -0.14 0.31 -0.09 -2.88 0.00 0.00 179.24 176.42 3mr5 h ARG 356 N -0.10 0.55 -0.39 0.28 2.43 -0.79 0.53 114.38 116.88 3mr5 h ARG 356 Ca 0.10 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 3mr5 h ARG 356 Cb 0.25 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3mr5 h ARG 356 CO -0.22 0.36 -0.10 -0.91 -1.51 0.00 0.00 179.97 177.59 3mr5 h ASN 357 N 0.57 0.77 0.13 -3.80 2.35 -0.84 -1.58 115.58 113.18 3mr5 h ASN 357 Ca 0.28 -0.36 -0.28 0.00 -0.55 0.00 0.00 56.30 55.39 3mr5 h ASN 357 Cb 0.23 -0.21 0.02 0.00 0.05 0.00 0.00 38.32 38.41 3mr5 h ASN 357 CO -0.21 0.95 -1.14 0.44 -1.65 0.00 0.00 177.43 175.83 3mr5 h ASP 358 N 0.57 0.83 -0.03 5.81 3.32 -0.18 -3.39 116.42 123.35 3mr5 h ASP 358 Ca 0.10 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 56.43 3mr5 h ASP 358 Cb 0.62 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3mr5 h ASP 358 CO 0.04 1.53 0.00 0.59 -1.72 0.00 0.00 179.24 179.68 3mr5 n ASN 359 N -3.80 2.02 -3.63 6.45 3.02 0.18 -5.02 115.26 114.48 3mr5 n ASN 359 Ca -0.12 -1.93 -0.24 0.00 -0.03 0.00 0.00 54.58 52.26 3mr5 n ASN 359 Cb 0.93 -0.02 0.04 0.00 -0.61 0.00 0.00 39.78 40.12 3mr5 n ASN 359 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3mr5 n ASP 360 N -0.36 -3.61 -3.56 6.41 8.00 -0.59 -4.92 116.55 117.91 3mr5 n ASP 360 Ca 0.01 -0.89 -0.12 0.00 0.71 0.00 0.00 54.79 54.51 3mr5 n ASP 360 Cb 0.25 -3.95 -0.04 0.00 -0.02 0.00 0.00 41.12 37.36 3mr5 n ASP 360 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mr5 s ARG 361 N -5.73 1.12 -0.01 -1.24 1.70 -1.25 -1.50 118.95 112.03 3mr5 s ARG 361 Ca 0.26 -0.54 0.02 0.00 -0.47 0.00 0.00 55.73 55.00 3mr5 s ARG 361 Cb -0.07 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 3mr5 s ARG 361 CO 0.82 -0.45 -0.06 0.14 -1.08 0.00 0.00 175.30 174.68 3mr5 s VAL 362 N -3.49 0.51 0.41 4.99 -7.23 0.67 -3.94 120.40 112.32 3mr5 s VAL 362 Ca 0.01 -0.23 -0.24 0.00 -1.81 0.00 0.00 61.98 59.70 3mr5 s VAL 362 Cb 0.00 -0.45 -0.09 0.00 0.56 0.00 0.00 36.38 36.41 3mr5 s VAL 362 CO -0.10 0.16 1.08 0.00 -0.31 0.00 0.00 175.10 175.93 3mr5 s ALA 363 N 0.10 3.06 0.00 1.32 0.00 -1.26 0.03 121.76 125.01 3mr5 s ALA 363 Ca -0.01 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3mr5 s ALA 363 Cb -0.05 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3mr5 s ALA 363 CO -0.00 -0.33 0.17 0.25 0.00 0.00 0.00 175.76 175.85 3mr5 n THR 364 N -0.16 0.00 -4.45 0.00 -2.24 -0.74 -4.80 114.28 101.89 3mr5 n THR 364 Ca 0.05 -0.47 -0.20 0.00 -2.27 0.00 0.00 64.05 61.16 3mr5 n THR 364 Cb 0.49 1.02 -0.15 0.00 -2.10 0.00 0.00 70.33 69.59 3mr5 n THR 364 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3mr5 s GLN 365 N -0.60 0.87 -0.19 -0.78 0.74 -0.83 -1.40 119.66 117.47 3mr5 s GLN 365 Ca 0.00 -0.37 -0.02 0.00 0.05 0.00 0.00 55.36 55.03 3mr5 s GLN 365 Cb 0.00 -0.84 -0.00 0.00 1.10 0.00 0.00 33.01 33.27 3mr5 s GLN 365 CO 0.00 0.21 -0.11 -1.17 -0.55 0.00 0.00 175.29 173.68 3mr5 s LEU 366 N -0.19 2.64 -0.17 3.68 2.96 -0.39 -0.87 118.68 126.33 3mr5 s LEU 366 Ca 0.03 -0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 53.43 3mr5 s LEU 366 Cb -0.05 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 3mr5 s LEU 366 CO -0.00 0.03 0.04 -0.69 -1.32 0.00 0.00 176.35 174.41 3mr5 s VAL 367 N 1.14 4.58 -0.20 1.68 1.01 0.15 -1.81 120.40 126.95 3mr5 s VAL 367 Ca 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 3mr5 s VAL 367 Cb -0.14 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 3mr5 s VAL 367 CO -0.03 0.47 -0.10 -0.69 0.00 0.00 0.00 175.10 174.75 3mr5 s VAL 368 N 0.34 2.95 -0.03 2.92 1.01 0.14 -0.71 120.40 127.02 3mr5 s VAL 368 Ca 0.01 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.41 3mr5 s VAL 368 Cb -0.13 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 3mr5 s VAL 368 CO 0.01 0.47 -0.19 -0.55 0.00 0.00 0.00 175.10 174.83 3mr5 s SER 369 N 1.33 2.30 0.10 3.32 0.15 0.27 -0.75 113.70 120.43 3mr5 s SER 369 Ca 0.04 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.33 3mr5 s SER 369 Cb -0.14 -0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 63.73 3mr5 s SER 369 CO -0.05 0.21 -0.02 0.27 1.20 0.00 0.00 173.24 174.85 3mr5 s ILE 370 N -0.29 0.43 -0.02 6.45 -4.36 -0.34 -0.37 121.20 122.71 3mr5 s ILE 370 Ca 0.03 -1.90 0.02 0.00 -0.26 0.00 0.00 60.65 58.55 3mr5 s ILE 370 Cb -0.09 -1.77 0.00 0.00 1.25 0.00 0.00 42.46 41.85 3mr5 s ILE 370 CO 0.00 -0.77 -0.08 -0.60 0.24 0.00 0.00 174.94 173.73 3mr5 s ARG 371 N -3.91 0.82 -0.01 0.37 3.52 -0.96 0.49 118.95 119.26 3mr5 s ARG 371 Ca 0.14 -0.26 -0.00 0.00 -0.13 0.00 0.00 55.73 55.48 3mr5 s ARG 371 Cb 0.07 -0.78 -0.04 0.00 -1.56 0.00 0.00 34.95 32.64 3mr5 s ARG 371 CO -0.04 0.10 0.06 0.14 -0.81 0.00 0.00 175.30 174.75 3mr5 s VAL 372 N 0.17 4.59 0.29 7.11 -7.23 -1.26 0.00 120.40 124.07 3mr5 s VAL 372 Ca -0.02 -0.43 -0.30 0.00 -1.81 0.00 0.00 61.98 59.42 3mr5 s VAL 372 Cb -0.08 -3.07 -0.11 0.00 0.56 0.00 0.00 36.38 33.68 3mr5 s VAL 372 CO 0.00 0.38 1.55 -1.58 -0.31 0.00 0.00 175.10 175.14 3mr5 s GLN 373 N -1.62 4.16 0.00 4.82 0.74 0.21 -1.72 119.66 126.25 3mr5 s GLN 373 Ca 0.21 2.51 0.00 0.00 0.05 0.00 0.00 55.36 58.13 3mr5 s GLN 373 Cb -0.12 -3.04 0.00 0.00 1.10 0.00 0.00 33.01 30.95 3mr5 s GLN 373 CO 0.12 -0.57 0.00 0.41 -0.55 0.00 0.00 175.29 174.70 3mr5 n GLY 374 N 2.02 0.64 3.66 2.59 0.00 -1.26 -4.82 105.19 108.02 3mr5 n GLY 374 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3mr5 n GLY 374 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mr5 s ASP 375 N -2.44 6.73 0.23 1.61 3.68 -0.70 -4.95 116.67 120.84 3mr5 s ASP 375 Ca 0.00 0.89 -0.02 0.00 2.13 0.00 0.00 52.55 55.55 3mr5 s ASP 375 Cb 0.00 -2.36 0.25 0.00 -1.45 0.00 0.00 42.92 39.36 3mr5 s ASP 375 CO 0.00 -0.29 1.65 0.07 0.13 0.00 0.00 175.17 176.73 3mr5 h LYS 376 N 7.45 0.66 -7.07 4.34 2.10 -1.96 -3.45 116.57 118.64 3mr5 h LYS 376 Ca -0.31 -0.27 -0.54 0.00 -2.00 0.00 0.00 60.65 57.53 3mr5 h LYS 376 Cb 1.14 -0.03 0.12 0.00 -0.90 0.00 0.00 32.23 32.57 3mr5 h LYS 376 CO 0.78 0.86 0.53 1.03 -2.00 0.00 0.00 179.45 180.65 3mr5 s ARG 377 N -4.52 3.08 0.32 0.07 0.52 -1.26 -4.92 118.95 112.25 3mr5 s ARG 377 Ca -0.08 2.01 0.00 0.00 -0.52 0.00 0.00 55.73 57.14 3mr5 s ARG 377 Cb 0.13 -2.10 0.54 0.00 0.52 0.00 0.00 34.95 34.04 3mr5 s ARG 377 CO 0.82 -1.17 1.97 -0.07 0.02 0.00 0.00 175.30 176.87 3mr5 h LEU 378 N 1.21 0.80 -7.79 2.53 3.38 -1.97 -3.40 115.31 110.07 3mr5 h LEU 378 Ca -0.51 -0.04 -0.58 0.00 0.09 0.00 0.00 57.88 56.85 3mr5 h LEU 378 Cb 1.30 -0.20 -0.37 0.00 0.09 0.00 0.00 40.66 41.48 3mr5 h LEU 378 CO 0.56 0.61 -0.82 -0.55 0.09 0.00 0.00 178.44 178.34 3mr5 s SER 379 N -6.44 2.71 0.26 -0.43 0.15 -1.26 -4.57 113.70 104.13 3mr5 s SER 379 Ca -0.10 -0.54 0.08 0.00 0.70 0.00 0.00 55.95 56.09 3mr5 s SER 379 Cb 0.17 -1.07 0.32 0.00 -1.71 0.00 0.00 66.02 63.74 3mr5 s SER 379 CO 0.78 -0.10 1.60 0.28 1.20 0.00 0.00 173.24 176.99 3mr5 h SER 380 N 8.08 0.10 -4.08 5.45 0.02 -0.19 -3.46 113.55 119.48 3mr5 h SER 380 Ca -0.33 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.47 3mr5 h SER 380 Cb 1.12 -0.03 -0.23 0.00 0.14 0.00 0.00 62.40 63.41 3mr5 h SER 380 CO 0.47 0.69 -0.11 -0.22 -1.14 0.00 0.00 176.83 176.52 3mr5 s LEU 381 N -7.75 0.06 -0.06 5.07 2.96 -0.93 -4.99 118.68 113.05 3mr5 s LEU 381 Ca -0.02 0.94 -0.00 0.00 -0.22 0.00 0.00 54.13 54.82 3mr5 s LEU 381 Cb 0.12 1.77 0.02 0.00 0.50 0.00 0.00 46.19 48.61 3mr5 s LEU 381 CO 0.78 -0.23 -0.02 -0.60 -1.32 0.00 0.00 176.35 174.96 3mr5 s ARG 382 N 0.05 0.73 0.07 1.98 3.52 -1.26 -1.19 118.95 122.85 3mr5 s ARG 382 Ca -0.02 -0.01 -0.05 0.00 -0.13 0.00 0.00 55.73 55.53 3mr5 s ARG 382 Cb -0.03 -0.91 -0.02 0.00 -1.56 0.00 0.00 34.95 32.42 3mr5 s ARG 382 CO 0.02 -0.19 0.08 1.03 -0.81 0.00 0.00 175.30 175.42 3mr5 s ARG 383 N 1.44 0.72 0.16 5.12 1.81 0.07 -4.99 118.95 123.28 3mr5 s ARG 383 Ca -0.03 -1.07 0.06 0.00 -1.72 0.00 0.00 55.73 52.97 3mr5 s ARG 383 Cb -0.13 0.27 -0.04 0.00 -0.45 0.00 0.00 34.95 34.60 3mr5 s ARG 383 CO -0.03 -0.19 -0.12 0.00 -0.68 0.00 0.00 175.30 174.29 3mr5 s ALA 386 N -3.84 3.57 -0.76 0.00 0.00 -1.26 -1.26 121.76 118.21 3mr5 s ALA 386 Ca 0.06 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.14 3mr5 s ALA 386 Cb 0.01 -3.52 0.20 0.00 0.00 0.00 0.00 23.12 19.81 3mr5 s ALA 386 CO -0.08 -0.65 0.68 -1.17 0.00 0.00 0.00 175.76 174.53 3mr5 s LEU 387 N -0.59 6.44 -0.05 0.00 0.20 -0.50 -4.70 118.68 119.49 3mr5 s LEU 387 Ca 0.56 -2.60 0.19 0.00 0.69 0.00 0.00 54.13 52.98 3mr5 s LEU 387 Cb -0.40 -2.15 -0.24 0.00 -0.43 0.00 0.00 46.19 42.97 3mr5 s LEU 387 CO 0.44 -0.58 0.46 0.35 -0.29 0.00 0.00 176.35 176.74 3mr5 n THR 388 N 4.06 0.80 -3.81 3.68 -2.24 -1.26 -4.34 114.28 111.16 3mr5 n THR 388 Ca 0.09 -0.67 -0.12 0.00 -2.27 0.00 0.00 64.05 61.08 3mr5 n THR 388 Cb 0.45 -0.36 -0.12 0.00 -2.10 0.00 0.00 70.33 68.19 3mr5 n THR 388 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mr5 s ARG 389 N -3.02 0.25 -1.20 -0.78 1.70 -1.26 -5.05 118.95 109.60 3mr5 s ARG 389 Ca -0.07 0.18 -0.16 0.00 -0.47 0.00 0.00 55.73 55.22 3mr5 s ARG 389 Cb 0.10 0.12 -0.05 0.00 -0.57 0.00 0.00 34.95 34.55 3mr5 s ARG 389 CO 0.85 -0.04 2.20 0.66 -1.08 0.00 0.00 175.30 177.89 3mr5 n TYR 390 N 2.79 2.66 -4.07 5.89 0.53 -1.26 -4.81 117.16 118.90 3mr5 n TYR 390 Ca -0.14 -2.51 -0.32 0.00 -1.02 0.00 0.00 57.90 53.92 3mr5 n TYR 390 Cb 0.58 -2.19 -0.16 0.00 -1.03 0.00 0.00 39.34 36.55 3mr5 n TYR 390 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3mr5 s ASP 391 N 3.71 3.53 0.23 7.72 -1.08 -1.26 -4.99 116.67 124.53 3mr5 s ASP 391 Ca 0.52 -0.91 -0.07 0.00 -0.52 0.00 0.00 52.55 51.58 3mr5 s ASP 391 Cb 0.14 -1.42 0.29 0.00 -1.46 0.00 0.00 42.92 40.47 3mr5 s ASP 391 CO -0.01 -0.09 1.85 0.00 0.52 0.00 0.00 175.17 177.43 3mr5 h ALA 392 N 7.91 1.08 -0.39 3.66 0.00 -1.89 -0.50 119.26 129.14 3mr5 h ALA 392 Ca -0.33 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3mr5 h ALA 392 Cb 1.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3mr5 h ALA 392 CO 0.54 0.24 0.14 0.45 0.00 0.00 0.00 179.25 180.62 3mr5 h HIS 393 N 0.91 0.62 -0.30 0.00 3.86 -1.93 0.41 115.15 118.72 3mr5 h HIS 393 Ca 0.34 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.47 3mr5 h HIS 393 Cb 0.13 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 3mr5 h HIS 393 CO -0.04 0.57 0.06 -0.22 0.86 0.00 0.00 177.93 179.16 3mr5 h LYS 394 N 0.49 0.48 -0.69 2.45 3.64 -1.86 0.17 116.57 121.25 3mr5 h LYS 394 Ca 0.13 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3mr5 h LYS 394 Cb 0.23 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3mr5 h LYS 394 CO -0.01 0.56 0.41 0.52 -2.27 0.00 0.00 179.45 178.67 3mr5 h MET 395 N 0.31 0.94 -0.49 1.90 2.86 -0.96 0.59 114.93 120.08 3mr5 h MET 395 Ca 0.09 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3mr5 h MET 395 Cb 0.31 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3mr5 h MET 395 CO 0.00 0.67 -0.02 0.66 1.06 0.00 0.00 176.91 179.28 3mr5 h SER 396 N 0.94 0.87 -0.33 1.22 4.64 -0.76 0.10 113.55 120.23 3mr5 h SER 396 Ca 0.25 -0.32 -0.06 0.00 -0.47 0.00 0.00 61.79 61.19 3mr5 h SER 396 Cb -0.03 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 3mr5 h SER 396 CO -0.05 0.98 -0.01 -0.74 -0.87 0.00 0.00 176.83 176.14 3mr5 h HIS 397 N 0.74 0.64 -0.72 4.77 -0.00 -0.23 -1.57 115.15 118.78 3mr5 h HIS 397 Ca 0.14 -0.11 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 3mr5 h HIS 397 Cb 0.54 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.76 3mr5 h HIS 397 CO 0.04 0.71 0.39 -0.44 -0.00 0.00 0.00 177.93 178.63 3mr5 h ASP 398 N 0.39 0.90 -0.94 3.26 3.32 0.28 -1.46 116.42 122.17 3mr5 h ASP 398 Ca 0.09 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3mr5 h ASP 398 Cb 0.46 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 3mr5 h ASP 398 CO 0.02 0.74 0.58 0.00 -1.72 0.00 0.00 179.24 178.86 3mr5 h ALA 399 N 1.20 1.19 -0.55 3.45 0.00 -0.64 -2.52 119.26 121.39 3mr5 h ALA 399 Ca 0.25 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3mr5 h ALA 399 Cb 0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3mr5 h ALA 399 CO -0.04 0.64 -0.11 0.35 0.00 0.00 0.00 179.25 180.09 3mr5 h PHE 400 N 1.29 1.16 -0.69 0.00 3.04 -0.85 -2.89 116.94 117.99 3mr5 h PHE 400 Ca 0.34 -0.24 0.04 0.00 3.98 0.00 0.00 57.97 62.09 3mr5 h PHE 400 Cb -0.08 -0.29 -0.05 0.00 2.56 0.00 0.00 35.95 38.10 3mr5 h PHE 400 CO 0.00 1.06 0.42 1.15 -2.02 0.00 0.00 178.31 178.92 3mr5 h THR 401 N 0.92 1.04 0.00 4.41 2.02 -0.87 0.17 112.91 120.61 3mr5 h THR 401 Ca 0.14 -0.27 -0.11 0.00 0.77 0.00 0.00 66.41 66.94 3mr5 h THR 401 Cb 0.68 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3mr5 h THR 401 CO 0.05 0.15 -0.53 -0.37 0.37 0.00 0.00 175.52 175.19 3mr5 h VAL 402 N 0.80 1.15 -0.01 3.16 -1.51 -1.38 -3.26 116.25 115.21 3mr5 h VAL 402 Ca 0.29 -1.97 0.00 0.00 -1.23 0.00 0.00 66.70 63.79 3mr5 h VAL 402 Cb 0.09 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 3mr5 h VAL 402 CO -0.14 0.52 -0.59 2.30 -1.23 0.00 0.00 177.57 178.43 3mr5 n ILE 403 N -3.58 0.00 0.24 7.19 -5.35 -1.02 -4.58 119.36 112.27 3mr5 n ILE 403 Ca -0.00 -0.21 0.08 0.00 -0.27 0.00 0.00 62.75 62.35 3mr5 n ILE 403 Cb 0.61 1.11 0.62 0.00 -1.74 0.00 0.00 39.64 40.23 3mr5 n ILE 403 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3mr5 h LYS 404 N 1.03 0.00 0.00 6.28 2.10 -0.70 -1.92 116.57 123.36 3mr5 h LYS 404 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3mr5 h LYS 404 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 3mr5 h LYS 404 CO 0.00 0.13 0.00 0.09 -2.00 0.00 0.00 179.45 177.67 3mr5 n ASN 405 N -4.14 0.00 0.03 7.07 4.13 -1.26 -2.33 115.26 118.76 3mr5 n ASN 405 Ca -0.02 0.49 0.12 0.00 1.68 0.00 0.00 54.58 56.85 3mr5 n ASN 405 Cb 0.21 -0.50 0.50 0.00 -1.54 0.00 0.00 39.78 38.46 3mr5 n ASN 405 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mr5 s ASN 407 N -3.44 7.08 0.00 0.00 2.47 -0.98 -4.52 114.94 115.54 3mr5 s ASN 407 Ca 0.11 1.64 0.15 0.00 0.42 0.00 0.00 52.86 55.18 3mr5 s ASN 407 Cb 0.15 -2.55 0.41 0.00 -1.45 0.00 0.00 41.25 37.81 3mr5 s ASN 407 CO 0.48 -0.62 1.34 0.35 -3.72 0.00 0.00 177.10 174.94 3mr5 n THR 408 N 4.93 0.97 -2.86 -5.21 -2.24 0.23 -4.95 114.28 105.15 3mr5 n THR 408 Ca 0.11 -0.98 -0.41 0.00 -2.27 0.00 0.00 64.05 60.50 3mr5 n THR 408 Cb 0.46 0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 69.18 3mr5 n THR 408 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3mr5 s SER 409 N -1.01 7.29 0.14 3.42 0.15 -1.23 -4.96 113.70 117.50 3mr5 s SER 409 Ca 0.31 1.55 -0.10 0.00 0.70 0.00 0.00 55.95 58.41 3mr5 s SER 409 Cb 0.16 -2.52 -0.06 0.00 -1.71 0.00 0.00 66.02 61.90 3mr5 s SER 409 CO 0.22 -0.09 1.42 1.23 1.20 0.00 0.00 173.24 177.22 3mr5 h GLY 410 N 6.08 0.93 -4.64 9.45 0.00 -1.94 -3.44 103.07 109.51 3mr5 h GLY 410 Ca -0.42 -1.08 -0.56 0.00 0.00 0.00 0.00 47.33 45.27 3mr5 h GLY 410 CO 0.73 0.97 0.82 0.29 0.00 0.00 0.00 176.54 179.34 3mr5 n ILE 411 N -4.00 0.54 -0.18 2.60 -6.64 -1.26 -4.90 119.36 105.52 3mr5 n ILE 411 Ca -0.04 -0.13 -0.09 0.00 -1.77 0.00 0.00 62.75 60.72 3mr5 n ILE 411 Cb 0.62 -1.73 0.01 0.00 -1.44 0.00 0.00 39.64 37.10 3mr5 n ILE 411 CO 0.00 0.00 0.00 1.56 -1.77 0.00 0.00 176.55 176.34 3mr5 h GLN 412 N 5.32 0.80 -0.29 6.28 1.08 -2.05 -3.15 115.11 123.10 3mr5 h GLN 412 Ca -0.45 -0.19 -0.17 0.00 -1.45 0.00 0.00 58.65 56.39 3mr5 h GLN 412 Cb 1.24 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 28.56 3mr5 h GLN 412 CO 0.84 0.76 -0.51 1.79 -0.95 0.00 0.00 178.83 180.77 3mr5 h THR 413 N 0.69 1.28 -3.90 -0.54 1.35 -1.97 -3.45 112.91 106.37 3mr5 h THR 413 Ca 0.16 -1.70 -0.49 0.00 -0.55 0.00 0.00 66.41 63.84 3mr5 h THR 413 Cb 0.32 1.59 0.01 0.00 -1.73 0.00 0.00 68.15 68.34 3mr5 h THR 413 CO 0.00 0.55 0.22 -1.61 -0.25 0.00 0.00 175.52 174.44 3mr5 s GLU 414 N -4.17 3.86 -0.10 4.72 0.41 -1.19 -1.98 118.70 120.24 3mr5 s GLU 414 Ca -0.10 0.68 0.01 0.00 -0.41 0.00 0.00 54.97 55.15 3mr5 s GLU 414 Cb 0.11 -2.29 0.02 0.00 -1.78 0.00 0.00 34.13 30.19 3mr5 s GLU 414 CO 0.88 -0.13 -0.13 -0.46 -0.49 0.00 0.00 175.26 174.93 3mr5 s TRP 415 N -2.46 1.81 -0.01 1.61 -0.11 0.15 -4.53 118.94 115.39 3mr5 s TRP 415 Ca 0.54 -0.84 -0.16 0.00 1.22 0.00 0.00 56.10 56.87 3mr5 s TRP 415 Cb -0.10 -1.34 0.03 0.00 -1.50 0.00 0.00 33.47 30.56 3mr5 s TRP 415 CO 0.31 -0.46 0.33 -1.54 -4.62 0.00 0.00 176.95 170.97 3mr5 s SER 416 N 1.08 -0.21 0.68 5.86 1.04 -1.26 -4.17 113.70 116.72 3mr5 s SER 416 Ca -0.05 0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.36 3mr5 s SER 416 Cb -0.15 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.31 3mr5 s SER 416 CO -0.02 -0.46 1.09 -2.16 0.98 0.00 0.00 173.24 172.67 3mr5 s PRO 417 N -1.34 2.75 0.44 4.02 0.04 -1.26 0.76 135.00 140.42 3mr5 s PRO 417 Ca -0.13 1.26 -0.25 0.00 0.04 0.00 0.00 61.00 61.91 3mr5 s PRO 417 Cb -0.05 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 3mr5 s PRO 417 CO 0.04 -1.27 1.38 -2.30 0.04 0.00 0.00 177.00 174.90 3mr5 n PRO 418 N -2.72 2.15 -3.45 0.56 -0.02 -1.26 -4.76 135.00 125.50 3mr5 n PRO 418 Ca 0.09 0.77 -0.37 0.00 -2.02 0.00 0.00 63.50 61.97 3mr5 n PRO 418 Cb 0.53 -2.56 -0.07 0.00 -0.02 0.00 0.00 33.50 31.38 3mr5 n PRO 418 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mr5 s LEU 419 N -2.37 4.23 0.00 2.45 1.43 -0.94 0.65 118.68 124.12 3mr5 s LEU 419 Ca 0.61 0.58 0.21 0.00 -1.03 0.00 0.00 54.13 54.50 3mr5 s LEU 419 Cb -0.47 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.27 3mr5 s LEU 419 CO 0.58 0.03 1.03 0.35 0.23 0.00 0.00 176.35 178.57 3mr5 n THR 420 N 3.78 0.00 -3.61 5.49 -2.24 0.10 -1.59 114.28 116.21 3mr5 n THR 420 Ca -0.10 -0.29 -0.15 0.00 -2.27 0.00 0.00 64.05 61.24 3mr5 n THR 420 Cb 0.52 1.25 -0.07 0.00 -2.10 0.00 0.00 70.33 69.93 3mr5 n THR 420 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3mr5 s MET 421 N -2.28 0.87 -0.05 -0.78 -2.45 -1.20 0.41 119.30 113.82 3mr5 s MET 421 Ca 0.17 0.67 0.03 0.00 -1.25 0.00 0.00 55.69 55.31 3mr5 s MET 421 Cb 0.17 0.42 0.01 0.00 1.25 0.00 0.00 34.83 36.67 3mr5 s MET 421 CO 0.51 -0.17 -0.11 -0.51 1.05 0.00 0.00 175.02 175.78 3mr5 s LEU 422 N -0.21 1.72 -0.05 4.11 1.43 -0.47 -2.26 118.68 122.96 3mr5 s LEU 422 Ca -0.04 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3mr5 s LEU 422 Cb -0.03 -0.73 0.03 0.00 0.03 0.00 0.00 46.19 45.49 3mr5 s LEU 422 CO 0.04 0.06 0.08 0.12 0.23 0.00 0.00 176.35 176.88 3mr5 s PHE 423 N 0.40 0.00 -0.13 0.29 5.99 0.50 -1.16 117.98 123.87 3mr5 s PHE 423 Ca -0.08 0.31 -0.00 0.00 0.00 0.00 0.00 56.93 57.15 3mr5 s PHE 423 Cb -0.12 -0.38 -0.02 0.00 0.00 0.00 0.00 43.02 42.50 3mr5 s PHE 423 CO 0.02 -0.18 -0.12 -0.51 -0.00 0.00 0.00 175.22 174.42 3mr5 s LEU 424 N 1.95 2.75 -0.02 6.12 1.43 -0.24 -0.56 118.68 130.11 3mr5 s LEU 424 Ca 0.02 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 3mr5 s LEU 424 Cb -0.12 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.50 3mr5 s LEU 424 CO -0.04 0.17 -0.00 0.00 0.23 0.00 0.00 176.35 176.71 3mr5 s ALA 426 N 0.78 3.59 0.12 0.00 0.00 0.84 0.31 121.76 127.40 3mr5 s ALA 426 Ca -0.08 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.53 3mr5 s ALA 426 Cb -0.11 -2.43 -0.00 0.00 0.00 0.00 0.00 23.12 20.58 3mr5 s ALA 426 CO -0.01 0.15 0.14 -2.37 0.00 0.00 0.00 175.76 173.67 3mr5 n THR 427 N 3.26 0.00 -3.48 0.00 5.66 -0.05 -1.59 114.28 118.08 3mr5 n THR 427 Ca -0.11 -0.69 -0.20 0.00 -3.05 0.00 0.00 64.05 60.00 3mr5 n THR 427 Cb 0.52 0.39 0.03 0.00 -1.55 0.00 0.00 70.33 69.72 3mr5 n THR 427 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3mr5 n LYS 428 N -0.20 -1.45 -2.44 1.09 5.02 -1.26 -1.91 118.16 117.01 3mr5 n LYS 428 Ca 0.01 0.82 -0.40 0.00 -2.02 0.00 0.00 58.31 56.72 3mr5 n LYS 428 Cb 0.20 -4.51 -0.04 0.00 -0.02 0.00 0.00 35.03 30.66 3mr5 n LYS 428 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3mr5 s PHE 429 N -3.27 3.53 0.08 2.13 0.08 -1.26 -1.79 117.98 117.49 3mr5 s PHE 429 Ca 0.29 1.66 0.07 0.00 0.12 0.00 0.00 56.93 59.07 3mr5 s PHE 429 Cb -0.09 -3.32 -0.03 0.00 -0.57 0.00 0.00 43.02 39.01 3mr5 s PHE 429 CO 0.82 -0.69 -0.19 0.45 -0.10 0.00 0.00 175.22 175.51 3mr5 s SER 430 N -0.78 2.31 0.37 1.36 0.15 0.10 -4.93 113.70 112.29 3mr5 s SER 430 Ca 0.45 -0.64 -0.27 0.00 0.70 0.00 0.00 55.95 56.20 3mr5 s SER 430 Cb -0.33 -0.13 -0.10 0.00 -1.71 0.00 0.00 66.02 63.76 3mr5 s SER 430 CO 0.42 0.05 1.33 0.00 1.20 0.00 0.00 173.24 176.23 3mr5 s ALA 431 N -1.11 3.39 0.00 5.45 0.00 -1.26 -0.24 121.76 127.99 3mr5 s ALA 431 Ca 0.05 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.30 3mr5 s ALA 431 Cb -0.10 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3mr5 s ALA 431 CO 0.03 -0.79 0.00 -1.13 0.00 0.00 0.00 175.76 173.87