#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mhe s HIS 3 N 0.00 1.50 0.09 0.66 0.09 -1.08 -4.98 115.29 111.57 1mhe s HIS 3 Ca 0.00 -1.24 -0.23 0.00 -0.00 0.00 0.00 55.06 53.59 1mhe s HIS 3 Cb 0.00 -0.85 0.06 0.00 -0.00 0.00 0.00 32.58 31.79 1mhe s HIS 3 CO 0.00 -0.41 0.56 -1.54 -0.00 0.00 0.00 174.74 173.35 1mhe s SER 4 N -3.31 -0.50 -0.14 1.40 1.04 -1.26 -0.83 113.70 110.11 1mhe s SER 4 Ca 0.38 0.12 -0.00 0.00 0.48 0.00 0.00 55.95 56.93 1mhe s SER 4 Cb 0.07 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.76 1mhe s SER 4 CO 0.14 -0.82 -0.07 -0.22 0.98 0.00 0.00 173.24 173.26 1mhe s LEU 5 N -2.26 1.45 -0.01 2.42 2.96 -0.87 -1.65 118.68 120.73 1mhe s LEU 5 Ca -0.03 -0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 53.32 1mhe s LEU 5 Cb -0.00 -0.91 0.00 0.00 0.50 0.00 0.00 46.19 45.78 1mhe s LEU 5 CO -0.06 -0.15 0.12 -1.59 -1.32 0.00 0.00 176.35 173.35 1mhe s LYS 6 N 1.65 0.38 0.32 1.98 -2.85 -0.44 -2.28 119.74 118.50 1mhe s LYS 6 Ca 0.03 -0.28 0.10 0.00 -1.00 0.00 0.00 55.97 54.82 1mhe s LYS 6 Cb -0.14 0.16 -0.06 0.00 -2.06 0.00 0.00 37.83 35.73 1mhe s LYS 6 CO -0.08 -0.08 -0.11 0.71 0.10 0.00 0.00 175.35 175.88 1mhe s TYR 7 N -1.04 2.39 -0.19 1.78 1.51 -0.70 -0.53 117.35 120.57 1mhe s TYR 7 Ca -0.11 -0.42 -0.04 0.00 -1.01 0.00 0.00 57.07 55.48 1mhe s TYR 7 Cb -0.06 -1.25 0.08 0.00 -0.11 0.00 0.00 41.96 40.61 1mhe s TYR 7 CO 0.01 0.62 0.15 -0.06 -1.11 0.00 0.00 175.55 175.16 1mhe s PHE 8 N -2.55 -0.03 -0.08 2.71 0.40 -0.53 -3.25 117.98 114.64 1mhe s PHE 8 Ca 0.32 -0.07 -0.03 0.00 -0.60 0.00 0.00 56.93 56.55 1mhe s PHE 8 Cb -0.01 -0.54 -0.04 0.00 0.51 0.00 0.00 43.02 42.95 1mhe s PHE 8 CO 0.16 -0.56 0.06 -1.01 0.70 0.00 0.00 175.22 174.57 1mhe s HIS 9 N 2.23 3.31 -0.01 0.36 3.76 0.18 -2.65 115.29 122.47 1mhe s HIS 9 Ca 0.04 0.29 0.01 0.00 -0.15 0.00 0.00 55.06 55.25 1mhe s HIS 9 Cb -0.16 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 31.71 1mhe s HIS 9 CO -0.11 0.56 -0.03 0.99 -0.85 0.00 0.00 174.74 175.31 1mhe s THR 10 N -0.99 0.23 -0.04 1.30 2.01 -0.37 -1.36 115.64 116.42 1mhe s THR 10 Ca 0.16 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.07 1mhe s THR 10 Cb -0.12 -0.21 0.02 0.00 0.01 0.00 0.00 72.50 72.20 1mhe s THR 10 CO 0.05 0.08 -0.04 -0.55 -0.69 0.00 0.00 174.62 173.47 1mhe s SER 11 N 0.07 0.79 -0.07 3.53 0.15 -0.19 -1.04 113.70 116.94 1mhe s SER 11 Ca -0.00 -0.10 0.02 0.00 0.70 0.00 0.00 55.95 56.56 1mhe s SER 11 Cb -0.03 -0.37 0.02 0.00 -1.71 0.00 0.00 66.02 63.93 1mhe s SER 11 CO -0.00 -0.05 -0.11 -0.69 1.20 0.00 0.00 173.24 173.59 1mhe s VAL 12 N 0.83 1.08 0.40 4.45 1.01 0.18 -1.42 120.40 126.93 1mhe s VAL 12 Ca -0.10 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 1mhe s VAL 12 Cb -0.13 -1.01 -0.10 0.00 0.00 0.00 0.00 36.38 35.14 1mhe s VAL 12 CO -0.00 0.35 1.00 -0.94 0.00 0.00 0.00 175.10 175.51 1mhe s SER 13 N 0.90 6.86 -0.10 3.32 1.04 -0.57 -0.11 113.70 125.03 1mhe s SER 13 Ca -0.10 1.90 -0.01 0.00 0.48 0.00 0.00 55.95 58.23 1mhe s SER 13 Cb -0.15 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.43 1mhe s SER 13 CO 0.01 -0.42 -0.04 -0.13 0.98 0.00 0.00 173.24 173.64 1mhe s ARG 14 N -2.66 1.16 0.00 4.02 0.52 -1.26 -4.28 118.95 116.45 1mhe s ARG 14 Ca 0.59 -0.13 -0.24 0.00 -0.52 0.00 0.00 55.73 55.42 1mhe s ARG 14 Cb -0.18 -1.39 -0.13 0.00 0.52 0.00 0.00 34.95 33.77 1mhe s ARG 14 CO 0.22 -0.30 1.00 -1.35 0.02 0.00 0.00 175.30 174.90 1mhe h PRO 15 N 8.23 -0.79 0.01 3.54 0.11 -1.83 -3.31 132.00 137.96 1mhe h PRO 15 Ca -0.25 0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.91 1mhe h PRO 15 Cb 1.13 0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1mhe h PRO 15 CO 0.35 -0.51 -0.01 0.78 -0.21 0.00 0.00 178.00 178.40 1mhe h GLY 16 N -1.20 -0.02 -1.43 -0.55 0.00 -1.94 -3.24 103.07 94.70 1mhe h GLY 16 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1mhe h GLY 16 CO 0.14 -0.01 0.00 0.54 0.00 0.00 0.00 176.54 177.21 1mhe n ARG 17 N -4.95 0.74 0.00 4.80 3.00 -1.26 -4.96 116.66 114.03 1mhe n ARG 17 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.76 1mhe n ARG 17 Cb 0.17 -1.27 0.00 0.00 0.00 0.00 0.00 32.46 31.37 1mhe n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1mhe n GLY 18 N 0.34 3.60 3.58 -0.13 0.00 -1.22 -4.81 105.19 106.55 1mhe n GLY 18 Ca 0.00 -0.07 -0.59 0.00 0.00 0.00 0.00 46.02 45.36 1mhe n GLY 18 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mhe n GLU 19 N 14.00 0.29 -1.86 1.61 2.13 -1.26 -4.23 120.64 131.32 1mhe n GLU 19 Ca 0.00 0.11 -0.39 0.00 0.66 0.00 0.00 57.16 57.54 1mhe n GLU 19 Cb 0.00 -1.65 0.02 0.00 0.27 0.00 0.00 31.44 30.08 1mhe n GLU 19 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1mhe s PRO 20 N 0.95 3.56 0.28 5.31 0.04 -1.26 -4.73 135.00 139.14 1mhe s PRO 20 Ca 0.93 2.28 -0.29 0.00 0.04 0.00 0.00 61.00 63.95 1mhe s PRO 20 Cb -1.24 -2.53 -0.10 0.00 0.04 0.00 0.00 34.50 30.67 1mhe s PRO 20 CO 0.61 -0.87 1.29 0.50 0.04 0.00 0.00 177.00 178.57 1mhe s ARG 21 N -2.58 4.40 -0.01 4.56 3.00 0.84 -4.80 118.95 124.36 1mhe s ARG 21 Ca 0.64 2.12 0.00 0.00 -1.00 0.00 0.00 55.73 57.49 1mhe s ARG 21 Cb -0.41 -3.13 0.01 0.00 0.00 0.00 0.00 34.95 31.43 1mhe s ARG 21 CO 0.51 -0.17 0.01 0.12 0.00 0.00 0.00 175.30 175.77 1mhe s PHE 22 N -0.69 0.06 -0.04 5.12 2.19 -1.26 -0.65 117.98 122.71 1mhe s PHE 22 Ca 0.51 0.05 -0.03 0.00 0.33 0.00 0.00 56.93 57.79 1mhe s PHE 22 Cb -0.38 -0.14 0.02 0.00 -1.31 0.00 0.00 43.02 41.21 1mhe s PHE 22 CO 0.46 -0.05 0.10 0.42 1.83 0.00 0.00 175.22 177.99 1mhe s ILE 23 N 0.50 -0.02 0.01 3.12 1.01 -0.20 -2.44 121.20 123.18 1mhe s ILE 23 Ca -0.04 0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.72 1mhe s ILE 23 Cb -0.06 -0.16 -0.02 0.00 0.01 0.00 0.00 42.46 42.23 1mhe s ILE 23 CO -0.01 0.03 -0.15 -0.44 0.00 0.00 0.00 174.94 174.37 1mhe s SER 24 N 0.46 1.72 -0.02 3.58 0.01 -0.06 -1.24 113.70 118.16 1mhe s SER 24 Ca -0.03 -0.35 -0.03 0.00 1.31 0.00 0.00 55.95 56.85 1mhe s SER 24 Cb -0.05 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1mhe s SER 24 CO -0.02 0.12 0.07 0.68 0.41 0.00 0.00 173.24 174.50 1mhe s VAL 25 N -0.56 0.02 0.12 3.43 -7.23 -1.09 -0.18 120.40 114.91 1mhe s VAL 25 Ca 0.04 -0.15 0.09 0.00 -1.81 0.00 0.00 61.98 60.15 1mhe s VAL 25 Cb -0.07 -0.16 -0.04 0.00 0.56 0.00 0.00 36.38 36.68 1mhe s VAL 25 CO 0.00 -0.08 -0.17 -0.83 -0.31 0.00 0.00 175.10 173.71 1mhe s GLY 26 N -0.23 1.71 0.02 2.32 0.00 -0.91 -1.45 107.32 108.77 1mhe s GLY 26 Ca -0.03 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.35 1mhe s GLY 26 CO 0.00 -1.32 -0.03 -0.19 0.00 0.00 0.00 173.10 171.56 1mhe s TYR 27 N -1.16 0.31 -0.19 1.90 1.51 0.31 -0.78 117.35 119.25 1mhe s TYR 27 Ca 0.19 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1mhe s TYR 27 Cb -0.11 -0.22 0.04 0.00 -0.11 0.00 0.00 41.96 41.57 1mhe s TYR 27 CO 0.11 -0.19 -0.10 0.08 -1.11 0.00 0.00 175.55 174.34 1mhe s VAL 28 N -1.55 1.54 0.00 0.71 1.01 -0.19 -1.33 120.40 120.59 1mhe s VAL 28 Ca -0.15 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1mhe s VAL 28 Cb -0.09 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1mhe s VAL 28 CO -0.01 0.19 0.00 0.47 0.00 0.00 0.00 175.10 175.75 1mhe n ASP 29 N 4.73 0.00 -1.82 3.32 8.00 -0.66 -0.21 116.55 129.91 1mhe n ASP 29 Ca -0.14 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.43 1mhe n ASP 29 Cb 0.47 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 41.96 1mhe n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1mhe n ASP 30 N 6.27 5.49 -4.25 -2.24 8.00 -1.26 -4.89 116.55 123.66 1mhe n ASP 30 Ca 0.00 -2.81 -0.34 0.00 0.71 0.00 0.00 54.79 52.35 1mhe n ASP 30 Cb 0.00 -0.66 -0.15 0.00 -0.02 0.00 0.00 41.12 40.29 1mhe n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1mhe s THR 31 N -2.54 2.82 0.16 -3.53 2.01 0.70 -5.04 115.64 110.23 1mhe s THR 31 Ca 0.53 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 1mhe s THR 31 Cb 0.39 -2.23 -0.07 0.00 0.01 0.00 0.00 72.50 70.60 1mhe s THR 31 CO 0.18 0.49 1.09 -1.58 -0.69 0.00 0.00 174.62 174.10 1mhe s GLN 32 N 1.16 4.60 0.00 4.92 0.74 -1.26 -1.02 119.66 128.80 1mhe s GLN 32 Ca 0.01 1.69 0.00 0.00 0.05 0.00 0.00 55.36 57.11 1mhe s GLN 32 Cb -0.14 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.68 1mhe s GLN 32 CO -0.04 0.08 0.00 1.97 -0.55 0.00 0.00 175.29 176.75 1mhe n PHE 33 N 2.48 0.00 -4.12 1.67 -1.74 0.04 -4.51 117.46 111.27 1mhe n PHE 33 Ca 0.03 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.77 1mhe n PHE 33 Cb 0.46 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.41 1mhe n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1mhe s VAL 34 N -1.92 0.00 -0.20 1.97 -7.23 -1.24 0.03 120.40 111.81 1mhe s VAL 34 Ca 0.00 -1.69 -0.34 0.00 -1.81 0.00 0.00 61.98 58.14 1mhe s VAL 34 Cb 0.00 -2.57 0.14 0.00 0.56 0.00 0.00 36.38 34.51 1mhe s VAL 34 CO 0.00 0.00 1.21 0.00 -0.31 0.00 0.00 175.10 176.00 1mhe s ARG 35 N -3.30 0.30 -0.01 4.82 1.04 -0.59 -2.15 118.95 119.07 1mhe s ARG 35 Ca 0.32 -0.09 0.01 0.00 -1.04 0.00 0.00 55.73 54.93 1mhe s ARG 35 Cb 0.01 0.14 0.00 0.00 -2.04 0.00 0.00 34.95 33.06 1mhe s ARG 35 CO 0.20 -0.13 -0.03 0.12 -0.04 0.00 0.00 175.30 175.42 1mhe s PHE 36 N -2.24 0.35 -0.15 5.89 2.19 0.75 -1.32 117.98 123.46 1mhe s PHE 36 Ca 0.09 -0.06 -0.06 0.00 0.33 0.00 0.00 56.93 57.23 1mhe s PHE 36 Cb -0.01 -0.27 0.07 0.00 -1.31 0.00 0.00 43.02 41.50 1mhe s PHE 36 CO -0.05 -0.04 0.32 0.34 1.83 0.00 0.00 175.22 177.63 1mhe s ASP 37 N 0.16 -0.03 0.08 6.13 -1.08 -1.26 -0.88 116.67 119.78 1mhe s ASP 37 Ca -0.01 0.73 0.24 0.00 -0.52 0.00 0.00 52.55 52.98 1mhe s ASP 37 Cb -0.04 0.82 0.96 0.00 -1.46 0.00 0.00 42.92 43.20 1mhe s ASP 37 CO -0.00 -0.22 1.75 -0.46 0.52 0.00 0.00 175.17 176.76 1mhe n ASN 38 N 5.01 0.26 -1.34 -0.34 6.94 -1.02 -2.67 115.26 122.10 1mhe n ASN 38 Ca -0.13 0.54 0.09 0.00 -0.02 0.00 0.00 54.58 55.06 1mhe n ASN 38 Cb 0.51 -0.60 0.30 0.00 -2.36 0.00 0.00 39.78 37.63 1mhe n ASN 38 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1mhe n ASP 39 N -1.76 3.93 -4.94 0.53 9.92 -1.26 -4.81 116.55 118.16 1mhe n ASP 39 Ca 0.05 -2.25 -0.24 0.00 -0.53 0.00 0.00 54.79 51.82 1mhe n ASP 39 Cb 0.30 -0.50 -0.00 0.00 -0.64 0.00 0.00 41.12 40.28 1mhe n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mhe s ALA 40 N -1.57 3.68 0.23 2.24 0.00 -1.09 -4.98 121.76 120.27 1mhe s ALA 40 Ca 0.44 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 51.42 1mhe s ALA 40 Cb 0.26 -2.18 0.25 0.00 0.00 0.00 0.00 23.12 21.46 1mhe s ALA 40 CO 0.24 -0.18 1.88 0.00 0.00 0.00 0.00 175.76 177.71 1mhe h ALA 41 N 0.57 1.13 -2.71 0.00 0.00 -1.91 -3.30 119.26 113.04 1mhe h ALA 41 Ca -0.48 -0.04 -0.75 0.00 0.00 0.00 0.00 54.91 53.63 1mhe h ALA 41 Cb 1.23 -0.31 -0.28 0.00 0.00 0.00 0.00 17.79 18.43 1mhe h ALA 41 CO 0.60 0.42 -0.14 0.45 0.00 0.00 0.00 179.25 180.57 1mhe s SER 42 N -5.91 6.16 -0.98 0.00 0.15 -1.26 -4.97 113.70 106.90 1mhe s SER 42 Ca -0.13 -2.40 -0.15 0.00 0.70 0.00 0.00 55.95 53.97 1mhe s SER 42 Cb 0.17 -2.11 -0.09 0.00 -1.71 0.00 0.00 66.02 62.28 1mhe s SER 42 CO 0.79 -0.61 2.10 -2.65 1.20 0.00 0.00 173.24 174.07 1mhe n PRO 43 N 4.31 2.03 -3.64 5.44 -0.02 -1.24 -4.77 135.00 137.11 1mhe n PRO 43 Ca 0.03 -1.87 -0.10 0.00 -2.02 0.00 0.00 63.50 59.54 1mhe n PRO 43 Cb 0.43 -2.83 -0.03 0.00 -0.02 0.00 0.00 33.50 31.05 1mhe n PRO 43 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1mhe s ARG 44 N 4.06 1.44 0.08 -0.52 1.70 -1.26 -4.97 118.95 119.48 1mhe s ARG 44 Ca 0.51 -0.73 -0.31 0.00 -0.47 0.00 0.00 55.73 54.74 1mhe s ARG 44 Cb 0.13 0.57 -0.08 0.00 -0.57 0.00 0.00 34.95 35.00 1mhe s ARG 44 CO 0.03 -0.64 1.61 1.41 -1.08 0.00 0.00 175.30 176.64 1mhe s MET 45 N -3.83 4.21 0.16 3.89 -2.45 -1.26 -4.53 119.30 115.48 1mhe s MET 45 Ca 0.06 2.30 0.05 0.00 -1.25 0.00 0.00 55.69 56.85 1mhe s MET 45 Cb -0.02 -3.52 -0.04 0.00 1.25 0.00 0.00 34.83 32.50 1mhe s MET 45 CO -0.05 -0.69 -0.12 0.14 1.05 0.00 0.00 175.02 175.35 1mhe s VAL 46 N 2.34 1.33 0.56 10.11 -7.23 -0.43 -4.91 120.40 122.17 1mhe s VAL 46 Ca 0.72 -2.06 -0.12 0.00 -1.81 0.00 0.00 61.98 58.72 1mhe s VAL 46 Cb -0.40 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.64 1mhe s VAL 46 CO 0.32 -0.67 0.97 -2.84 -0.31 0.00 0.00 175.10 172.57 1mhe s PRO 47 N -3.59 3.70 0.00 4.82 0.02 -1.26 -1.54 135.00 137.15 1mhe s PRO 47 Ca 0.17 0.72 0.00 0.00 0.02 0.00 0.00 61.00 61.91 1mhe s PRO 47 Cb 0.01 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.38 1mhe s PRO 47 CO 0.02 -0.41 0.39 0.54 -0.33 0.00 0.00 177.00 177.21 1mhe n ARG 48 N -2.29 0.20 -3.81 5.54 5.12 0.10 -4.83 116.66 116.70 1mhe n ARG 48 Ca 0.05 -0.46 -0.14 0.00 -1.93 0.00 0.00 57.85 55.37 1mhe n ARG 48 Cb 0.54 -0.70 -0.15 0.00 -1.16 0.00 0.00 32.46 30.99 1mhe n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1mhe s ALA 49 N -0.15 0.08 0.29 7.54 0.00 -1.19 -4.80 121.76 123.54 1mhe s ALA 49 Ca 0.00 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.21 1mhe s ALA 49 Cb 0.00 -0.19 0.70 0.00 0.00 0.00 0.00 23.12 23.63 1mhe s ALA 49 CO 0.00 -0.08 1.75 -1.35 0.00 0.00 0.00 175.76 176.08 1mhe h PRO 50 N 6.98 0.60 0.00 0.00 0.11 -1.95 -1.56 132.00 136.18 1mhe h PRO 50 Ca -0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1mhe h PRO 50 Cb 1.15 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1mhe h PRO 50 CO 0.49 0.40 0.00 -2.67 -0.21 0.00 0.00 178.00 176.00 1mhe n TRP 51 N -4.88 0.00 -0.10 0.65 4.27 -1.26 -1.38 117.44 114.74 1mhe n TRP 51 Ca 0.22 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.71 1mhe n TRP 51 Cb 0.58 0.00 -0.15 0.00 -1.36 0.00 0.00 31.31 30.38 1mhe n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 1mhe n MET 52 N -0.86 0.68 -0.23 -2.67 2.81 -0.59 -4.59 117.12 111.67 1mhe n MET 52 Ca 0.04 0.05 0.31 0.00 -1.81 0.00 0.00 57.70 56.28 1mhe n MET 52 Cb 0.02 -1.54 0.58 0.00 -0.71 0.00 0.00 33.22 31.56 1mhe n MET 52 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1mhe h GLU 53 N 0.00 0.00 -0.96 0.03 5.08 -1.35 -1.52 114.58 115.86 1mhe h GLU 53 Ca -0.53 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.75 1mhe h GLU 53 Cb 2.16 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.36 1mhe h GLU 53 CO 0.01 0.00 0.10 0.00 -1.00 0.00 0.00 179.01 178.12 1mhe n GLN 54 N -3.50 1.60 -3.82 2.33 0.00 -1.26 -4.88 117.38 107.86 1mhe n GLN 54 Ca 0.23 -0.79 -0.36 0.00 0.00 0.00 0.00 57.00 56.09 1mhe n GLN 54 Cb 1.39 -1.46 -0.06 0.00 0.00 0.00 0.00 30.24 30.11 1mhe n GLN 54 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1mhe s GLU 55 N -1.09 3.52 0.97 2.61 0.41 -0.57 -5.09 118.70 119.46 1mhe s GLU 55 Ca 0.14 -0.09 -0.11 0.00 -0.41 0.00 0.00 54.97 54.50 1mhe s GLU 55 Cb 0.12 -3.15 0.18 0.00 -1.78 0.00 0.00 34.13 29.49 1mhe s GLU 55 CO 0.03 0.72 1.10 0.20 -0.49 0.00 0.00 175.26 176.82 1mhe s GLY 56 N -1.36 1.63 0.56 -1.39 0.00 -1.26 -4.90 107.32 100.59 1mhe s GLY 56 Ca 0.21 0.22 0.34 0.00 0.00 0.00 0.00 44.72 45.49 1mhe s GLY 56 CO 0.10 0.73 2.01 1.76 0.00 0.00 0.00 173.10 177.71 1mhe h SER 57 N -1.97 0.00 -0.32 1.64 0.02 -2.00 -2.62 113.55 108.31 1mhe h SER 57 Ca -0.50 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 1mhe h SER 57 Cb 1.29 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 1mhe h SER 57 CO 0.48 0.00 0.17 -0.08 -1.14 0.00 0.00 176.83 176.26 1mhe h GLU 58 N 0.00 0.45 0.25 3.45 4.81 -1.99 -1.13 114.58 120.42 1mhe h GLU 58 Ca 0.00 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1mhe h GLU 58 Cb 0.48 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1mhe h GLU 58 CO 0.00 0.39 -0.22 -0.92 -0.73 0.00 0.00 179.01 177.53 1mhe h TYR 59 N 0.39 -0.61 -0.91 0.92 3.20 -1.83 0.38 116.97 118.52 1mhe h TYR 59 Ca 0.11 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.15 1mhe h TYR 59 Cb 0.07 0.23 -0.07 0.00 1.54 0.00 0.00 36.73 38.50 1mhe h TYR 59 CO -0.03 -0.30 0.58 -1.49 -1.64 0.00 0.00 178.16 175.28 1mhe h TRP 60 N -0.46 0.78 -0.03 -3.82 4.06 -1.56 0.59 115.95 115.52 1mhe h TRP 60 Ca -0.03 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 1mhe h TRP 60 Cb 0.39 -0.24 -0.00 0.00 -1.00 0.00 0.00 29.16 28.31 1mhe h TRP 60 CO -0.11 0.26 -0.02 -0.44 -3.56 0.00 0.00 178.44 174.56 1mhe h ASP 61 N 0.64 0.07 0.07 -3.49 3.32 -0.89 -0.84 116.42 115.29 1mhe h ASP 61 Ca 0.47 -0.44 0.02 0.00 0.02 0.00 0.00 57.03 57.10 1mhe h ASP 61 Cb 0.84 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1mhe h ASP 61 CO -0.22 0.50 -0.22 -0.09 -1.72 0.00 0.00 179.24 177.48 1mhe h ARG 62 N -0.36 -0.37 -0.56 3.56 1.12 -0.07 -1.29 114.38 116.42 1mhe h ARG 62 Ca 0.01 0.03 0.05 0.00 -1.11 0.00 0.00 59.98 58.95 1mhe h ARG 62 Cb 0.47 0.08 -0.05 0.00 -0.01 0.00 0.00 29.97 30.47 1mhe h ARG 62 CO 0.01 -0.25 0.29 0.93 -3.11 0.00 0.00 179.97 177.84 1mhe h GLU 63 N -0.39 0.55 -0.78 0.20 4.39 -0.92 0.06 114.58 117.69 1mhe h GLU 63 Ca 0.04 -0.03 0.14 0.00 0.34 0.00 0.00 59.36 59.85 1mhe h GLU 63 Cb 0.43 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 1mhe h GLU 63 CO -0.15 0.36 0.51 1.15 -1.16 0.00 0.00 179.01 179.72 1mhe h THR 64 N 0.56 0.82 0.66 1.13 2.02 -0.41 -1.00 112.91 116.69 1mhe h THR 64 Ca 0.25 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 1mhe h THR 64 Cb 0.14 0.29 0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1mhe h THR 64 CO -0.16 0.09 -0.32 0.03 0.37 0.00 0.00 175.52 175.53 1mhe h ARG 65 N 0.49 -0.85 -0.79 6.66 3.08 0.13 -0.70 114.38 122.39 1mhe h ARG 65 Ca 0.38 0.06 0.16 0.00 0.07 0.00 0.00 59.98 60.65 1mhe h ARG 65 Cb 0.78 0.19 -0.15 0.00 0.08 0.00 0.00 29.97 30.88 1mhe h ARG 65 CO -0.13 -0.54 -0.17 0.77 -1.07 0.00 0.00 179.97 178.83 1mhe h SER 66 N -1.16 -0.68 0.32 7.04 0.02 -0.90 0.28 113.55 118.46 1mhe h SER 66 Ca -0.09 0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1mhe h SER 66 Cb 0.71 0.47 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 1mhe h SER 66 CO 0.15 -0.25 -0.29 0.00 -1.14 0.00 0.00 176.83 175.29 1mhe h ALA 67 N 1.79 -0.63 -0.30 3.77 0.00 -1.16 -0.30 119.26 122.43 1mhe h ALA 67 Ca 0.39 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.25 1mhe h ALA 67 Cb 0.62 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1mhe h ALA 67 CO -0.80 -0.89 0.00 0.00 0.00 0.00 0.00 179.25 177.57 1mhe h ARG 68 N -0.63 0.09 -0.41 0.00 3.08 0.98 0.00 114.38 117.48 1mhe h ARG 68 Ca -0.02 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.10 1mhe h ARG 68 Cb 0.57 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.54 1mhe h ARG 68 CO -0.04 0.06 0.06 -0.44 -1.07 0.00 0.00 179.97 178.53 1mhe h ASP 69 N 0.09 -0.05 -0.84 7.04 3.32 -0.49 -1.06 116.42 124.43 1mhe h ASP 69 Ca 0.14 0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.35 1mhe h ASP 69 Cb 0.19 0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.79 1mhe h ASP 69 CO -0.24 0.01 0.50 0.74 -1.72 0.00 0.00 179.24 178.54 1mhe h THR 70 N 0.18 0.98 -0.82 0.35 2.02 0.04 0.67 112.91 116.33 1mhe h THR 70 Ca 0.20 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 67.11 1mhe h THR 70 Cb 0.26 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 66.65 1mhe h THR 70 CO -0.29 0.16 0.54 0.00 0.37 0.00 0.00 175.52 176.30 1mhe h ALA 71 N 1.43 1.48 0.79 6.16 0.00 0.25 -0.44 119.26 128.93 1mhe h ALA 71 Ca 0.39 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1mhe h ALA 71 Cb 0.27 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1mhe h ALA 71 CO -0.21 0.44 -0.38 1.96 0.00 0.00 0.00 179.25 181.07 1mhe h GLN 72 N 1.03 -1.02 -1.01 0.00 1.08 -0.32 -0.90 115.11 113.97 1mhe h GLN 72 Ca 0.32 0.07 0.25 0.00 -1.45 0.00 0.00 58.65 57.84 1mhe h GLN 72 Cb 0.00 0.23 -0.12 0.00 -0.05 0.00 0.00 27.48 27.55 1mhe h GLN 72 CO -0.09 -0.68 0.61 0.82 -0.95 0.00 0.00 178.83 178.54 1mhe h ILE 73 N -1.25 0.54 -0.15 2.54 1.08 -1.08 0.91 117.51 120.10 1mhe h ILE 73 Ca -0.11 -0.19 -0.11 0.00 -0.39 0.00 0.00 64.86 64.06 1mhe h ILE 73 Cb 0.81 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 1mhe h ILE 73 CO 0.18 0.10 -0.41 -0.26 -0.69 0.00 0.00 178.15 177.08 1mhe h PHE 74 N 0.56 0.39 -0.70 1.37 -1.00 -0.94 0.21 116.94 116.83 1mhe h PHE 74 Ca 0.64 -0.11 0.01 0.00 2.81 0.00 0.00 57.97 61.32 1mhe h PHE 74 Cb 1.26 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 40.70 1mhe h PHE 74 CO -0.01 0.69 0.46 -0.09 -1.61 0.00 0.00 178.31 177.75 1mhe h ARG 75 N 0.28 0.90 0.49 1.51 2.43 0.22 0.27 114.38 120.48 1mhe h ARG 75 Ca 0.03 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1mhe h ARG 75 Cb 0.84 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1mhe h ARG 75 CO 0.07 0.59 -0.24 0.28 -1.51 0.00 0.00 179.97 179.17 1mhe h VAL 76 N 0.93 0.00 -1.23 0.20 2.07 -0.60 -2.72 116.25 114.90 1mhe h VAL 76 Ca 0.26 -0.10 0.46 0.00 0.82 0.00 0.00 66.70 68.14 1mhe h VAL 76 Cb -0.08 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.53 1mhe h VAL 76 CO -0.07 0.00 0.75 0.59 0.02 0.00 0.00 177.57 178.86 1mhe n ASN 77 N -4.04 0.27 0.48 0.57 3.02 0.69 0.58 115.26 116.83 1mhe n ASN 77 Ca -0.08 1.51 -0.20 0.00 -0.03 0.00 0.00 54.58 55.78 1mhe n ASN 77 Cb 0.26 -0.74 -0.10 0.00 -0.61 0.00 0.00 39.78 38.59 1mhe n ASN 77 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1mhe h LEU 78 N 0.00 -1.04 -0.72 3.41 3.38 -0.19 0.98 115.31 121.13 1mhe h LEU 78 Ca 0.87 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.92 1mhe h LEU 78 Cb 2.61 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 43.58 1mhe h LEU 78 CO -0.60 -0.74 0.44 0.08 0.09 0.00 0.00 178.44 177.72 1mhe h ARG 79 N -1.21 0.81 -0.26 1.13 0.11 0.43 -0.73 114.38 114.65 1mhe h ARG 79 Ca -0.12 -0.05 0.06 0.00 0.10 0.00 0.00 59.98 59.97 1mhe h ARG 79 Cb 0.93 -0.18 -0.08 0.00 1.11 0.00 0.00 29.97 31.75 1mhe h ARG 79 CO 0.20 0.54 -0.32 1.15 0.10 0.00 0.00 179.97 181.64 1mhe h THR 80 N 0.84 0.27 -0.75 0.08 2.02 -0.62 -0.90 112.91 113.84 1mhe h THR 80 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.49 1mhe h THR 80 Cb 0.10 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.73 1mhe h THR 80 CO -0.14 0.00 0.47 -0.07 0.37 0.00 0.00 175.52 176.15 1mhe h LEU 81 N -0.32 0.88 -1.65 2.58 3.38 0.07 0.14 115.31 120.38 1mhe h LEU 81 Ca 0.13 -0.04 0.21 0.00 0.09 0.00 0.00 57.88 58.27 1mhe h LEU 81 Cb 0.54 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1mhe h LEU 81 CO -0.44 0.66 0.59 -0.09 0.09 0.00 0.00 178.44 179.25 1mhe h ARG 82 N 1.01 0.28 0.45 1.13 2.43 0.11 -0.35 114.38 119.45 1mhe h ARG 82 Ca 0.27 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1mhe h ARG 82 Cb -0.07 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1mhe h ARG 82 CO -0.05 0.19 -0.22 0.78 -1.51 0.00 0.00 179.97 179.15 1mhe h GLY 83 N 0.29 -0.64 -1.12 2.80 0.00 0.46 -0.28 103.07 104.58 1mhe h GLY 83 Ca 0.45 0.24 0.44 0.00 0.00 0.00 0.00 47.33 48.45 1mhe h GLY 83 CO -0.13 -0.23 0.90 -0.97 0.00 0.00 0.00 176.54 176.11 1mhe h TYR 84 N -0.88 0.45 -0.17 5.60 -1.99 -0.34 0.12 116.97 119.77 1mhe h TYR 84 Ca -0.06 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1mhe h TYR 84 Cb 0.47 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 39.09 1mhe h TYR 84 CO 0.04 -0.16 0.00 0.66 -0.00 0.00 0.00 178.16 178.70 1mhe n TYR 85 N -4.59 0.20 -3.52 4.88 4.02 -0.46 -5.00 117.16 112.69 1mhe n TYR 85 Ca 0.37 -0.12 -0.25 0.00 -0.01 0.00 0.00 57.90 57.89 1mhe n TYR 85 Cb 1.46 -0.00 0.05 0.00 -0.02 0.00 0.00 39.34 40.83 1mhe n TYR 85 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1mhe n ASN 86 N 1.16 -5.69 -4.61 7.72 3.02 0.42 -4.98 115.26 112.30 1mhe n ASN 86 Ca 0.14 -0.90 -0.26 0.00 -0.03 0.00 0.00 54.58 53.54 1mhe n ASN 86 Cb 0.51 -4.09 -0.08 0.00 -0.61 0.00 0.00 39.78 35.51 1mhe n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1mhe s GLN 87 N -5.39 2.19 0.29 3.52 -0.21 -0.39 -5.05 119.66 114.61 1mhe s GLN 87 Ca 0.46 -1.29 -0.09 0.00 0.02 0.00 0.00 55.36 54.45 1mhe s GLN 87 Cb -0.12 -2.19 -0.07 0.00 1.00 0.00 0.00 33.01 31.63 1mhe s GLN 87 CO 0.81 0.42 0.61 -1.54 -2.12 0.00 0.00 175.29 173.47 1mhe s SER 88 N -3.11 6.58 0.00 5.90 1.04 -1.26 -4.80 113.70 118.05 1mhe s SER 88 Ca 0.27 0.95 0.11 0.00 0.48 0.00 0.00 55.95 57.77 1mhe s SER 88 Cb -0.08 -2.24 0.53 0.00 0.10 0.00 0.00 66.02 64.33 1mhe s SER 88 CO 0.17 -0.18 1.30 1.21 0.98 0.00 0.00 173.24 176.72 1mhe n GLU 89 N -0.57 0.10 0.13 4.02 2.13 -1.26 -2.73 120.64 122.46 1mhe n GLU 89 Ca 0.01 0.23 -0.00 0.00 0.66 0.00 0.00 57.16 58.05 1mhe n GLU 89 Cb 0.53 -1.50 0.10 0.00 0.27 0.00 0.00 31.44 30.84 1mhe n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1mhe h ALA 90 N 2.47 0.75 -2.05 4.31 0.00 -1.98 -3.41 119.26 119.36 1mhe h ALA 90 Ca 0.00 -0.59 -0.46 0.00 0.00 0.00 0.00 54.91 53.87 1mhe h ALA 90 Cb 0.14 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 17.85 1mhe h ALA 90 CO 0.00 0.80 -0.13 0.20 0.00 0.00 0.00 179.25 180.13 1mhe s GLY 91 N -4.51 1.56 0.19 0.00 0.00 -1.10 -4.81 107.32 98.65 1mhe s GLY 91 Ca 0.01 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.63 1mhe s GLY 91 CO 0.76 -0.94 0.37 -0.45 0.00 0.00 0.00 173.10 172.83 1mhe s SER 92 N -4.20 6.37 0.07 1.64 0.15 -1.26 -4.73 113.70 111.73 1mhe s SER 92 Ca 0.48 0.33 -0.12 0.00 0.70 0.00 0.00 55.95 57.33 1mhe s SER 92 Cb -0.10 -1.98 0.02 0.00 -1.71 0.00 0.00 66.02 62.25 1mhe s SER 92 CO 0.37 -0.03 0.28 -1.00 1.20 0.00 0.00 173.24 174.06 1mhe s HIS 93 N -1.85 -0.04 -0.02 3.44 3.76 -1.26 -4.97 115.29 114.36 1mhe s HIS 93 Ca 0.37 -0.22 0.05 0.00 -0.15 0.00 0.00 55.06 55.11 1mhe s HIS 93 Cb -0.11 0.07 -0.01 0.00 1.11 0.00 0.00 32.58 33.64 1mhe s HIS 93 CO 0.29 -0.54 -0.16 0.99 -0.85 0.00 0.00 174.74 174.46 1mhe s THR 94 N -3.14 1.30 -0.06 1.30 2.01 -1.26 -1.52 115.64 114.28 1mhe s THR 94 Ca -0.01 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1mhe s THR 94 Cb 0.01 -1.09 0.02 0.00 0.01 0.00 0.00 72.50 71.45 1mhe s THR 94 CO -0.07 0.37 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.92 1mhe s LEU 95 N -0.34 1.49 0.08 4.42 2.96 -0.51 -0.86 118.68 125.92 1mhe s LEU 95 Ca 0.05 -0.22 0.06 0.00 -0.22 0.00 0.00 54.13 53.80 1mhe s LEU 95 Cb -0.07 -0.66 -0.03 0.00 0.50 0.00 0.00 46.19 45.93 1mhe s LEU 95 CO -0.00 -0.01 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.76 1mhe s GLN 96 N 0.81 0.89 -0.07 1.98 -0.21 -0.69 -1.02 119.66 121.34 1mhe s GLN 96 Ca -0.12 -1.00 -0.06 0.00 0.02 0.00 0.00 55.36 54.20 1mhe s GLN 96 Cb -0.15 -0.94 0.02 0.00 1.00 0.00 0.00 33.01 32.94 1mhe s GLN 96 CO 0.02 0.21 0.18 -0.46 -2.12 0.00 0.00 175.29 173.12 1mhe s TRP 97 N -1.27 -0.21 -0.02 0.91 -0.00 -0.46 -1.86 118.94 116.03 1mhe s TRP 97 Ca -0.00 0.51 -0.04 0.00 -0.00 0.00 0.00 56.10 56.58 1mhe s TRP 97 Cb -0.10 0.05 0.00 0.00 -0.00 0.00 0.00 33.47 33.42 1mhe s TRP 97 CO 0.03 -0.12 0.09 0.00 -0.00 0.00 0.00 176.95 176.95 1mhe s MET 98 N 0.37 0.21 -0.05 5.86 0.23 -1.07 -0.64 119.30 124.20 1mhe s MET 98 Ca -0.02 -0.05 -0.19 0.00 -1.03 0.00 0.00 55.69 54.40 1mhe s MET 98 Cb -0.04 0.09 0.04 0.00 -1.53 0.00 0.00 34.83 33.39 1mhe s MET 98 CO -0.02 -0.04 0.43 -3.38 -2.03 0.00 0.00 175.02 169.98 1mhe s HIS 99 N -0.39 -0.35 0.10 3.16 -3.43 -1.20 -2.33 115.29 110.84 1mhe s HIS 99 Ca -0.05 0.65 -0.25 0.00 -0.80 0.00 0.00 55.06 54.61 1mhe s HIS 99 Cb -0.03 0.19 0.08 0.00 -1.43 0.00 0.00 32.58 31.39 1mhe s HIS 99 CO 0.00 -0.42 0.70 0.20 -2.00 0.00 0.00 174.74 173.23 1mhe s GLY 100 N -1.02 -0.56 0.00 -1.38 0.00 -1.10 -1.73 107.32 101.53 1mhe s GLY 100 Ca -0.11 0.70 0.05 0.00 0.00 0.00 0.00 44.72 45.37 1mhe s GLY 100 CO 0.05 0.25 -0.16 0.00 0.00 0.00 0.00 173.10 173.24 1mhe s GLU 102 N -0.54 1.66 -0.03 0.00 2.02 0.03 -2.04 118.70 119.79 1mhe s GLU 102 Ca 0.05 -1.13 -0.01 0.00 0.02 0.00 0.00 54.97 53.90 1mhe s GLU 102 Cb -0.06 -1.89 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 1mhe s GLU 102 CO -0.00 0.48 0.06 -0.51 0.02 0.00 0.00 175.26 175.31 1mhe s LEU 103 N -1.40 3.83 0.00 1.80 1.43 -0.01 -1.43 118.68 122.92 1mhe s LEU 103 Ca 0.11 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1mhe s LEU 103 Cb -0.10 -2.15 0.06 0.00 0.03 0.00 0.00 46.19 44.03 1mhe s LEU 103 CO 0.03 0.30 0.37 0.61 0.23 0.00 0.00 176.35 177.89 1mhe n GLY 104 N 1.44 0.19 0.30 -3.19 0.00 -0.62 -2.63 105.19 100.69 1mhe n GLY 104 Ca -0.15 -1.90 -0.01 0.00 0.00 0.00 0.00 46.02 43.96 1mhe n GLY 104 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1mhe h PRO 105 N 0.00 0.76 0.00 1.61 0.11 -1.98 -0.99 132.00 131.52 1mhe h PRO 105 Ca -0.12 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1mhe h PRO 105 Cb 0.41 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1mhe h PRO 105 CO 0.12 0.65 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 1mhe n ASP 106 N -4.32 0.00 -2.80 -2.05 5.75 -1.26 -4.79 116.55 107.08 1mhe n ASP 106 Ca 0.04 -0.42 -0.22 0.00 -0.01 0.00 0.00 54.79 54.18 1mhe n ASP 106 Cb 0.18 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.30 1mhe n ASP 106 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1mhe n ARG 107 N -0.88 -3.87 -4.18 0.11 5.12 -0.37 -4.99 116.66 107.60 1mhe n ARG 107 Ca 0.06 0.95 -0.12 0.00 -1.93 0.00 0.00 57.85 56.81 1mhe n ARG 107 Cb 0.03 -5.74 -0.10 0.00 -1.16 0.00 0.00 32.46 25.49 1mhe n ARG 107 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1mhe s ARG 108 N -5.49 0.87 0.11 5.56 0.52 -1.26 -4.88 118.95 114.39 1mhe s ARG 108 Ca 0.20 -1.34 -0.34 0.00 -0.52 0.00 0.00 55.73 53.74 1mhe s ARG 108 Cb -0.09 -0.31 -0.18 0.00 0.52 0.00 0.00 34.95 34.89 1mhe s ARG 108 CO 0.25 0.01 0.86 0.34 0.02 0.00 0.00 175.30 176.78 1mhe n PHE 109 N -0.01 0.29 0.06 -0.53 7.35 -1.26 -1.58 117.46 121.77 1mhe n PHE 109 Ca -0.12 0.96 0.00 0.00 -0.76 0.00 0.00 57.45 57.53 1mhe n PHE 109 Cb 0.60 -2.07 0.00 0.00 0.35 0.00 0.00 39.48 38.37 1mhe n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1mhe n LEU 110 N 1.78 0.96 -3.64 -2.13 7.94 -0.51 -4.69 117.00 116.70 1mhe n LEU 110 Ca 0.18 0.17 -0.11 0.00 -1.11 0.00 0.00 56.01 55.14 1mhe n LEU 110 Cb 0.18 -0.26 -0.05 0.00 0.53 0.00 0.00 43.42 43.82 1mhe n LEU 110 CO 0.59 -0.73 0.16 -0.60 -1.11 0.00 0.00 177.39 175.69 1mhe s ARG 111 N -2.00 1.02 0.10 1.96 3.52 -1.22 -5.02 118.95 117.31 1mhe s ARG 111 Ca 0.00 -0.61 -0.01 0.00 -0.13 0.00 0.00 55.73 54.99 1mhe s ARG 111 Cb 0.00 0.45 -0.04 0.00 -1.56 0.00 0.00 34.95 33.80 1mhe s ARG 111 CO 0.00 -0.39 0.02 0.20 -0.81 0.00 0.00 175.30 174.32 1mhe s GLY 112 N -2.57 0.79 0.27 8.12 0.00 -1.26 -0.79 107.32 111.88 1mhe s GLY 112 Ca 0.01 -1.37 -0.21 0.00 0.00 0.00 0.00 44.72 43.15 1mhe s GLY 112 CO -0.09 -1.35 0.69 -2.52 0.00 0.00 0.00 173.10 169.83 1mhe s TYR 113 N -3.99 -0.17 -0.29 1.90 -0.85 -0.49 -4.96 117.35 108.50 1mhe s TYR 113 Ca 0.17 -0.27 -0.25 0.00 -0.52 0.00 0.00 57.07 56.21 1mhe s TYR 113 Cb 0.08 0.66 0.16 0.00 0.38 0.00 0.00 41.96 43.24 1mhe s TYR 113 CO -0.03 -1.20 1.27 -2.00 -1.52 0.00 0.00 175.55 172.08 1mhe s GLU 114 N -3.92 0.24 -0.18 -3.49 2.12 -1.26 -2.71 118.70 109.51 1mhe s GLU 114 Ca 0.11 0.29 -0.29 0.00 0.36 0.00 0.00 54.97 55.44 1mhe s GLU 114 Cb -0.05 0.11 0.13 0.00 0.26 0.00 0.00 34.13 34.58 1mhe s GLU 114 CO 0.06 -0.03 1.00 1.14 -0.54 0.00 0.00 175.26 176.89 1mhe s GLN 115 N 0.14 0.58 0.33 4.30 -2.07 -0.99 -1.55 119.66 120.40 1mhe s GLN 115 Ca 0.05 0.22 0.08 0.00 -1.82 0.00 0.00 55.36 53.89 1mhe s GLN 115 Cb -0.05 0.28 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1mhe s GLN 115 CO -0.12 -0.17 0.18 -0.06 -1.32 0.00 0.00 175.29 173.80 1mhe s PHE 116 N -0.89 2.79 -0.21 9.60 0.40 -0.11 -2.60 117.98 126.96 1mhe s PHE 116 Ca -0.01 -0.33 -0.16 0.00 -0.60 0.00 0.00 56.93 55.83 1mhe s PHE 116 Cb -0.01 -1.63 0.06 0.00 0.51 0.00 0.00 43.02 41.95 1mhe s PHE 116 CO 0.00 0.33 0.55 0.00 0.70 0.00 0.00 175.22 176.80 1mhe s ALA 117 N -2.36 -1.39 0.02 5.36 0.00 -0.78 -1.62 121.76 121.00 1mhe s ALA 117 Ca 0.38 1.71 0.05 0.00 0.00 0.00 0.00 51.96 54.10 1mhe s ALA 117 Cb -0.04 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 1mhe s ALA 117 CO 0.24 -0.28 -0.11 -0.47 0.00 0.00 0.00 175.76 175.13 1mhe s TYR 118 N 0.79 2.76 -1.13 0.00 5.04 -0.47 -1.71 117.35 122.64 1mhe s TYR 118 Ca -0.04 -0.12 -0.01 0.00 -2.44 0.00 0.00 57.07 54.46 1mhe s TYR 118 Cb -0.05 -1.54 0.00 0.00 0.35 0.00 0.00 41.96 40.72 1mhe s TYR 118 CO -0.06 0.33 0.01 -0.25 -1.34 0.00 0.00 175.55 174.24 1mhe n ASP 119 N 1.48 0.63 -1.97 4.32 8.00 -0.04 0.07 116.55 129.04 1mhe n ASP 119 Ca -0.15 -0.94 -0.17 0.00 0.71 0.00 0.00 54.79 54.24 1mhe n ASP 119 Cb 0.52 -1.17 -0.01 0.00 -0.02 0.00 0.00 41.12 40.45 1mhe n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mhe n GLY 120 N -2.16 -0.33 2.84 0.44 0.00 -1.26 -5.01 105.19 99.71 1mhe n GLY 120 Ca -0.24 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 1mhe n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mhe s LYS 121 N -4.89 0.19 0.08 1.61 2.20 0.11 -5.10 119.74 113.93 1mhe s LYS 121 Ca 0.02 0.05 -0.37 0.00 -0.36 0.00 0.00 55.97 55.31 1mhe s LYS 121 Cb -0.01 -0.33 -0.17 0.00 -1.51 0.00 0.00 37.83 35.81 1mhe s LYS 121 CO 0.02 -0.08 1.33 -0.25 -0.36 0.00 0.00 175.35 176.02 1mhe n ASP 122 N 3.77 1.59 0.00 1.43 9.92 -1.26 -1.36 116.55 130.63 1mhe n ASP 122 Ca -0.22 1.12 0.00 0.00 -0.53 0.00 0.00 54.79 55.16 1mhe n ASP 122 Cb 0.53 -1.18 0.00 0.00 -0.64 0.00 0.00 41.12 39.83 1mhe n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mhe n TYR 123 N 2.50 0.00 -4.36 1.24 4.19 -0.64 -4.65 117.16 115.44 1mhe n TYR 123 Ca 0.18 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 61.16 1mhe n TYR 123 Cb 0.19 0.00 -0.11 0.00 0.49 0.00 0.00 39.34 39.90 1mhe n TYR 123 CO 0.00 0.00 0.00 -1.17 0.91 0.00 0.00 176.86 176.60 1mhe s LEU 124 N -4.98 2.44 -0.13 2.98 2.96 -1.13 -0.59 118.68 120.23 1mhe s LEU 124 Ca 0.00 -0.86 -0.10 0.00 -0.22 0.00 0.00 54.13 52.95 1mhe s LEU 124 Cb 0.00 -0.94 0.04 0.00 0.50 0.00 0.00 46.19 45.79 1mhe s LEU 124 CO 0.00 0.02 0.32 -0.89 -1.32 0.00 0.00 176.35 174.48 1mhe s THR 125 N -1.91 -0.01 0.04 3.68 2.01 -1.09 -0.94 115.64 117.42 1mhe s THR 125 Ca 0.17 0.04 -0.28 0.00 0.31 0.00 0.00 61.69 61.92 1mhe s THR 125 Cb -0.07 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 1mhe s THR 125 CO 0.08 0.01 0.91 -0.22 -0.69 0.00 0.00 174.62 174.71 1mhe s LEU 126 N 0.51 4.42 0.80 4.42 2.96 -0.60 -1.64 118.68 129.55 1mhe s LEU 126 Ca -0.03 1.62 -0.11 0.00 -0.22 0.00 0.00 54.13 55.39 1mhe s LEU 126 Cb -0.04 -3.47 0.07 0.00 0.50 0.00 0.00 46.19 43.25 1mhe s LEU 126 CO -0.03 -0.13 1.09 0.20 -1.32 0.00 0.00 176.35 176.16 1mhe s ASN 127 N 0.47 4.43 0.19 3.68 0.01 -0.03 -4.64 114.94 119.05 1mhe s ASN 127 Ca 0.46 1.47 -0.12 0.00 -0.71 0.00 0.00 52.86 53.96 1mhe s ASN 127 Cb -0.21 -2.21 0.22 0.00 0.41 0.00 0.00 41.25 39.45 1mhe s ASN 127 CO 0.27 -2.03 1.72 -0.33 -1.51 0.00 0.00 177.10 175.21 1mhe h GLU 128 N -1.13 0.25 0.00 -0.60 5.08 -1.93 0.13 114.58 116.38 1mhe h GLU 128 Ca -0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1mhe h GLU 128 Cb 1.26 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1mhe h GLU 128 CO 0.57 0.16 0.00 -0.40 -1.00 0.00 0.00 179.01 178.34 1mhe n ASP 129 N -5.11 0.55 -1.73 1.42 5.75 -1.26 -4.83 116.55 111.34 1mhe n ASP 129 Ca 0.06 0.74 -0.15 0.00 -0.01 0.00 0.00 54.79 55.43 1mhe n ASP 129 Cb 0.26 -0.82 -0.01 0.00 -1.03 0.00 0.00 41.12 39.52 1mhe n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1mhe n LEU 130 N -2.22 -1.67 0.00 -2.12 4.77 0.03 -4.86 117.00 110.94 1mhe n LEU 130 Ca -0.01 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1mhe n LEU 130 Cb 0.05 -2.31 0.00 0.00 -2.33 0.00 0.00 43.42 38.83 1mhe n LEU 130 CO 0.10 -0.21 0.10 0.54 -1.33 0.00 0.00 177.39 176.60 1mhe n ARG 131 N -2.49 -0.16 -3.89 3.23 1.74 -1.26 -4.56 116.66 109.27 1mhe n ARG 131 Ca -0.18 -0.21 -0.10 0.00 -0.77 0.00 0.00 57.85 56.59 1mhe n ARG 131 Cb 0.63 -0.68 -0.10 0.00 -1.02 0.00 0.00 32.46 31.29 1mhe n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1mhe s SER 132 N -0.04 0.08 0.58 0.55 1.04 -1.26 -4.86 113.70 109.79 1mhe s SER 132 Ca 0.00 -0.32 0.10 0.00 0.48 0.00 0.00 55.95 56.21 1mhe s SER 132 Cb 0.00 0.20 0.09 0.00 0.10 0.00 0.00 66.02 66.41 1mhe s SER 132 CO 0.00 -0.41 0.78 0.26 0.98 0.00 0.00 173.24 174.85 1mhe s TRP 133 N -1.74 1.38 -0.28 5.02 0.52 -1.26 -0.85 118.94 121.73 1mhe s TRP 133 Ca -0.12 -0.74 -0.01 0.00 0.02 0.00 0.00 56.10 55.25 1mhe s TRP 133 Cb -0.06 -2.19 0.17 0.00 -1.15 0.00 0.00 33.47 30.24 1mhe s TRP 133 CO -0.00 -1.14 0.52 0.99 0.02 0.00 0.00 176.95 177.34 1mhe s THR 134 N -2.68 -0.86 0.40 2.01 2.01 -0.65 -4.80 115.64 111.07 1mhe s THR 134 Ca 0.61 -0.03 -0.27 0.00 0.31 0.00 0.00 61.69 62.31 1mhe s THR 134 Cb -0.05 -0.94 -0.09 0.00 0.01 0.00 0.00 72.50 71.42 1mhe s THR 134 CO 0.38 -0.05 1.40 0.00 -0.69 0.00 0.00 174.62 175.66 1mhe s ALA 135 N 2.75 3.38 -0.37 7.40 0.00 -1.26 -2.67 121.76 130.98 1mhe s ALA 135 Ca 0.17 1.41 0.13 0.00 0.00 0.00 0.00 51.96 53.68 1mhe s ALA 135 Cb -0.15 -3.55 0.44 0.00 0.00 0.00 0.00 23.12 19.85 1mhe s ALA 135 CO -0.20 -0.99 0.98 0.28 0.00 0.00 0.00 175.76 175.84 1mhe n VAL 136 N 0.21 1.40 0.00 0.00 0.31 0.24 -4.95 118.33 115.54 1mhe n VAL 136 Ca 0.03 -3.81 0.00 0.00 -0.01 0.00 0.00 64.34 60.55 1mhe n VAL 136 Cb 0.41 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 1mhe n VAL 136 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1mhe n ASP 137 N -0.17 0.00 0.00 4.52 -0.08 -1.26 -4.45 116.55 115.11 1mhe n ASP 137 Ca 0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 1mhe n ASP 137 Cb 0.75 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.21 1mhe n ASP 137 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1mhe n THR 138 N 0.00 0.80 -0.00 5.18 -2.24 -1.26 0.32 114.28 117.08 1mhe n THR 138 Ca 0.00 0.29 -0.17 0.00 -2.27 0.00 0.00 64.05 61.90 1mhe n THR 138 Cb 0.00 -1.29 -0.14 0.00 -2.10 0.00 0.00 70.33 66.80 1mhe n THR 138 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mhe n ALA 139 N -1.14 1.09 0.15 6.98 0.00 -1.26 -3.91 120.51 122.42 1mhe n ALA 139 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 53.44 52.83 1mhe n ALA 139 Cb 0.09 -0.75 0.12 0.00 0.00 0.00 0.00 19.45 18.90 1mhe n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mhe n ALA 140 N -2.84 1.19 -0.21 0.00 0.00 0.15 -3.60 120.51 115.21 1mhe n ALA 140 Ca -0.26 -0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.09 1mhe n ALA 140 Cb 1.05 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 1mhe n ALA 140 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1mhe h GLN 141 N 0.00 -0.21 0.49 0.00 4.20 -1.67 0.14 115.11 118.06 1mhe h GLN 141 Ca 0.00 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1mhe h GLN 141 Cb 0.07 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1mhe h GLN 141 CO 0.00 -0.14 -0.47 0.82 -0.67 0.00 0.00 178.83 178.37 1mhe h ILE 142 N -0.22 0.00 -1.39 2.54 2.04 -1.87 -0.95 117.51 117.65 1mhe h ILE 142 Ca 0.18 0.00 0.40 0.00 1.00 0.00 0.00 64.86 66.45 1mhe h ILE 142 Cb 0.56 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 1mhe h ILE 142 CO -0.69 0.00 0.99 0.28 0.00 0.00 0.00 178.15 178.73 1mhe h SER 143 N -0.95 0.05 0.51 1.72 0.02 -1.61 0.04 113.55 113.32 1mhe h SER 143 Ca -0.06 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1mhe h SER 143 Cb 0.82 0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.37 1mhe h SER 143 CO -0.04 -0.01 -0.25 -0.08 -1.14 0.00 0.00 176.83 175.32 1mhe h GLU 144 N 0.03 -0.66 -0.58 3.45 4.81 0.68 -2.46 114.58 119.84 1mhe h GLU 144 Ca 0.68 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 60.00 1mhe h GLU 144 Cb 2.63 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 32.11 1mhe h GLU 144 CO -0.06 -0.44 0.32 -0.56 -0.73 0.00 0.00 179.01 177.55 1mhe h GLN 145 N -0.78 0.61 -0.74 1.92 3.07 -0.82 -0.93 115.11 117.44 1mhe h GLN 145 Ca -0.07 -0.04 0.16 0.00 0.09 0.00 0.00 58.65 58.79 1mhe h GLN 145 Cb 0.53 -0.14 -0.14 0.00 0.08 0.00 0.00 27.48 27.81 1mhe h GLN 145 CO 0.12 0.40 -0.13 -0.22 0.09 0.00 0.00 178.83 179.09 1mhe h LYS 146 N 0.62 0.03 -0.29 0.06 3.64 -1.23 0.41 116.57 119.81 1mhe h LYS 146 Ca 0.25 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.48 1mhe h LYS 146 Cb 0.11 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1mhe h LYS 146 CO -0.15 0.02 -0.43 0.77 -2.27 0.00 0.00 179.45 177.39 1mhe h SER 147 N 0.03 0.77 0.75 4.20 0.02 -0.86 -1.90 113.55 116.55 1mhe h SER 147 Ca 0.37 -0.36 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 1mhe h SER 147 Cb 0.60 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1mhe h SER 147 CO -0.73 1.10 -0.20 0.78 -1.14 0.00 0.00 176.83 176.64 1mhe h ASN 148 N 0.58 0.00 0.04 3.07 2.35 0.76 -0.28 115.58 122.10 1mhe h ASN 148 Ca 0.04 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 1mhe h ASN 148 Cb 0.98 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.35 1mhe h ASN 148 CO 0.09 0.20 -0.47 0.44 -1.65 0.00 0.00 177.43 176.04 1mhe h ASP 149 N 0.00 0.13 0.32 5.81 3.32 -0.21 -3.22 116.42 122.57 1mhe h ASP 149 Ca -0.00 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.14 1mhe h ASP 149 Cb 0.62 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1mhe h ASP 149 CO 0.03 1.21 0.00 0.00 -1.72 0.00 0.00 179.24 178.75 1mhe n ALA 150 N -2.76 1.41 -3.05 3.45 0.00 -0.73 -4.86 120.51 113.96 1mhe n ALA 150 Ca -0.15 -0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.05 1mhe n ALA 150 Cb 0.62 -1.17 0.03 0.00 0.00 0.00 0.00 19.45 18.93 1mhe n ALA 150 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mhe n SER 151 N -1.61 -6.03 -0.28 0.00 2.88 -0.18 -4.88 113.62 103.53 1mhe n SER 151 Ca 0.02 -0.30 -0.01 0.00 -1.33 0.00 0.00 58.87 57.25 1mhe n SER 151 Cb 0.11 -4.87 0.11 0.00 -0.75 0.00 0.00 64.21 58.80 1mhe n SER 151 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1mhe h GLU 152 N -1.40 0.88 -1.23 -1.46 4.39 -1.72 -1.61 114.58 112.44 1mhe h GLU 152 Ca -0.53 -0.05 0.35 0.00 0.34 0.00 0.00 59.36 59.47 1mhe h GLU 152 Cb 1.36 -0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 29.75 1mhe h GLU 152 CO 0.57 0.58 0.86 0.00 -1.16 0.00 0.00 179.01 179.87 1mhe h ALA 153 N 1.35 2.99 0.09 3.43 0.00 -1.90 -2.99 119.26 122.23 1mhe h ALA 153 Ca 0.33 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1mhe h ALA 153 Cb 0.09 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1mhe h ALA 153 CO -0.14 -1.38 -0.08 1.49 0.00 0.00 0.00 179.25 179.14 1mhe h GLU 154 N 0.08 -0.16 0.00 0.00 4.57 -1.59 -2.64 114.58 114.84 1mhe h GLU 154 Ca 0.62 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.81 1mhe h GLU 154 Cb 2.26 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.89 1mhe h GLU 154 CO -0.09 -0.11 0.00 1.12 -1.18 0.00 0.00 179.01 178.75 1mhe h HIS 155 N -0.16 0.00 -0.97 0.92 2.07 -1.71 -1.42 115.15 113.88 1mhe h HIS 155 Ca -0.01 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1mhe h HIS 155 Cb 0.14 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.07 1mhe h HIS 155 CO -0.04 0.00 0.60 1.96 -3.07 0.00 0.00 177.93 177.39 1mhe h GLN 156 N 0.00 1.30 -0.56 5.12 1.08 -1.46 0.23 115.11 120.82 1mhe h GLN 156 Ca 0.00 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.05 1mhe h GLN 156 Cb 0.49 -0.28 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 1mhe h GLN 156 CO 0.00 0.89 0.15 -0.09 -0.95 0.00 0.00 178.83 178.83 1mhe h ARG 157 N 1.33 0.85 0.30 1.46 2.43 -0.89 -0.98 114.38 118.88 1mhe h ARG 157 Ca 0.35 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1mhe h ARG 157 Cb -0.09 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 1mhe h ARG 157 CO -0.07 0.76 -0.14 0.00 -1.51 0.00 0.00 179.97 179.00 1mhe h ALA 158 N 1.34 -0.40 0.27 2.80 0.00 -0.35 0.69 119.26 123.61 1mhe h ALA 158 Ca 0.18 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1mhe h ALA 158 Cb 0.28 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1mhe h ALA 158 CO -0.00 -0.71 -0.40 -0.92 0.00 0.00 0.00 179.25 177.21 1mhe h TYR 159 N -0.43 -1.11 -0.38 0.00 3.20 -0.36 0.84 116.97 118.73 1mhe h TYR 159 Ca -0.04 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.92 1mhe h TYR 159 Cb 0.33 0.45 -0.07 0.00 1.54 0.00 0.00 36.73 38.98 1mhe h TYR 159 CO -0.05 -0.53 -0.05 -0.07 -1.64 0.00 0.00 178.16 175.82 1mhe h LEU 160 N -0.74 -0.27 -0.34 2.82 3.38 -1.12 0.29 115.31 119.33 1mhe h LEU 160 Ca -0.01 0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 1mhe h LEU 160 Cb 0.70 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1mhe h LEU 160 CO -0.14 -0.09 -0.51 -0.33 0.09 0.00 0.00 178.44 177.46 1mhe h GLU 161 N 0.04 0.87 0.00 1.13 5.08 -0.51 -3.35 114.58 117.84 1mhe h GLU 161 Ca 0.18 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1mhe h GLU 161 Cb 0.27 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1mhe h GLU 161 CO -0.36 1.16 0.00 -0.25 -1.00 0.00 0.00 179.01 178.57 1mhe n ASP 162 N -4.01 0.00 -0.40 1.42 8.00 0.26 -4.49 116.55 117.33 1mhe n ASP 162 Ca -0.04 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.40 1mhe n ASP 162 Cb 0.61 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.60 1mhe n ASP 162 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1mhe n THR 163 N -1.56 -0.60 -0.14 -3.53 -1.04 -1.05 -0.94 114.28 105.42 1mhe n THR 163 Ca 0.00 2.35 -0.04 0.00 -2.04 0.00 0.00 64.05 64.32 1mhe n THR 163 Cb 0.00 -2.99 0.03 0.00 -1.82 0.00 0.00 70.33 65.55 1mhe n THR 163 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mhe h VAL 165 N -0.01 0.07 -0.88 0.00 2.07 -1.18 -1.07 116.25 115.25 1mhe h VAL 165 Ca 0.22 -0.13 0.14 0.00 0.82 0.00 0.00 66.70 67.76 1mhe h VAL 165 Cb 0.34 0.08 -0.15 0.00 -1.52 0.00 0.00 31.29 30.04 1mhe h VAL 165 CO -0.48 0.00 -0.36 -0.08 0.02 0.00 0.00 177.57 176.68 1mhe h GLU 166 N -1.25 -0.04 -0.35 1.57 4.81 -0.74 0.16 114.58 118.73 1mhe h GLU 166 Ca -0.12 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.01 1mhe h GLU 166 Cb 0.88 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1mhe h GLU 166 CO 0.19 -0.03 -0.20 -1.49 -0.73 0.00 0.00 179.01 176.75 1mhe h TRP 167 N -0.04 0.75 -0.40 0.92 4.06 -1.25 -2.76 115.95 117.22 1mhe h TRP 167 Ca 0.33 -0.16 0.08 0.00 2.06 0.00 0.00 58.89 61.19 1mhe h TRP 167 Cb 0.59 -0.19 -0.07 0.00 -1.00 0.00 0.00 29.16 28.50 1mhe h TRP 167 CO -0.79 0.82 -0.03 1.25 -3.56 0.00 0.00 178.44 176.13 1mhe h LEU 168 N 0.60 -0.23 -0.05 -4.49 5.85 0.65 -0.06 115.31 117.58 1mhe h LEU 168 Ca 0.09 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.95 1mhe h LEU 168 Cb 0.67 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 1mhe h LEU 168 CO 0.05 -0.08 -0.32 0.45 -0.34 0.00 0.00 178.44 178.21 1mhe h HIS 169 N 0.07 -0.87 -0.64 1.25 3.86 -1.07 -0.66 115.15 117.10 1mhe h HIS 169 Ca 0.20 0.03 0.13 0.00 -1.16 0.00 0.00 60.37 59.57 1mhe h HIS 169 Cb 0.29 0.39 -0.11 0.00 1.06 0.00 0.00 27.41 29.04 1mhe h HIS 169 CO -0.30 -0.40 0.02 0.87 0.86 0.00 0.00 177.93 178.98 1mhe h LYS 170 N -0.44 0.13 -0.99 2.45 1.57 -1.06 0.15 116.57 118.38 1mhe h LYS 170 Ca 0.07 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1mhe h LYS 170 Cb 0.55 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.78 1mhe h LYS 170 CO -0.29 0.08 0.66 1.88 -0.57 0.00 0.00 179.45 181.20 1mhe h TYR 171 N 0.13 1.24 -0.92 -1.35 0.05 0.06 -0.18 116.97 116.00 1mhe h TYR 171 Ca 0.34 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.14 1mhe h TYR 171 Cb 0.55 -0.42 -0.04 0.00 1.01 0.00 0.00 36.73 37.83 1mhe h TYR 171 CO -0.36 0.77 0.55 -0.07 -1.05 0.00 0.00 178.16 178.00 1mhe h LEU 172 N 1.33 1.12 0.55 3.88 3.38 0.70 -1.22 115.31 125.05 1mhe h LEU 172 Ca 0.37 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 1mhe h LEU 172 Cb -0.14 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.34 1mhe h LEU 172 CO -0.08 0.86 -0.26 -0.33 0.09 0.00 0.00 178.44 178.72 1mhe h GLU 173 N 1.28 -0.71 0.00 1.13 5.08 -0.34 0.21 114.58 121.23 1mhe h GLU 173 Ca 0.33 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1mhe h GLU 173 Cb -0.04 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1mhe h GLU 173 CO -0.06 -0.44 0.36 0.87 -1.00 0.00 0.00 179.01 178.74 1mhe h LYS 174 N -1.15 0.00 0.00 2.33 1.57 -0.96 -1.27 116.57 117.09 1mhe h LYS 174 Ca -0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1mhe h LYS 174 Cb 0.60 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 1mhe h LYS 174 CO 0.12 0.00 -0.36 0.41 -0.57 0.00 0.00 179.45 179.06 1mhe n GLY 175 N -1.25 2.91 0.38 3.86 0.00 -0.47 -4.84 105.19 105.77 1mhe n GLY 175 Ca -0.02 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 45.22 1mhe n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1mhe h LYS 176 N 0.24 -0.16 -0.71 1.61 3.64 0.67 0.21 116.57 122.06 1mhe h LYS 176 Ca -0.03 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.54 1mhe h LYS 176 Cb 1.24 0.04 -0.13 0.00 -0.41 0.00 0.00 32.23 32.97 1mhe h LYS 176 CO 0.01 -0.11 -0.05 0.39 -2.27 0.00 0.00 179.45 177.42 1mhe n GLU 177 N -5.42 -0.06 -0.13 1.90 4.71 -1.26 -1.07 120.64 119.30 1mhe n GLU 177 Ca 0.04 1.08 -0.28 0.00 -0.01 0.00 0.00 57.16 57.98 1mhe n GLU 177 Cb 0.35 -1.68 -0.10 0.00 -1.01 0.00 0.00 31.44 29.01 1mhe n GLU 177 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1mhe n THR 178 N -5.03 1.53 0.11 2.62 -2.24 -0.72 -3.89 114.28 106.65 1mhe n THR 178 Ca 0.15 -0.32 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 1mhe n THR 178 Cb 0.48 -1.93 -0.07 0.00 -2.10 0.00 0.00 70.33 66.72 1mhe n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1mhe h LEU 179 N -1.00 -1.12 -0.09 3.22 4.07 -0.69 -2.51 115.31 117.19 1mhe h LEU 179 Ca -0.63 0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.46 1mhe h LEU 179 Cb 1.55 0.43 0.00 0.00 1.08 0.00 0.00 40.66 43.71 1mhe h LEU 179 CO -0.38 -0.45 -0.03 0.18 -1.08 0.00 0.00 178.44 176.67 1mhe n LEU 180 N -5.45 0.17 -4.67 1.67 4.77 -0.24 -4.80 117.00 108.46 1mhe n LEU 180 Ca -0.07 0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.62 1mhe n LEU 180 Cb 0.36 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1mhe n LEU 180 CO 0.20 0.03 0.62 -2.28 -1.33 0.00 0.00 177.39 174.63 1mhe s HIS 181 N -2.40 3.42 0.10 -1.77 2.46 -0.95 -5.04 115.29 111.11 1mhe s HIS 181 Ca 0.33 1.26 -0.11 0.00 0.47 0.00 0.00 55.06 57.01 1mhe s HIS 181 Cb 0.21 -3.02 -0.06 0.00 -0.13 0.00 0.00 32.58 29.57 1mhe s HIS 181 CO 0.44 -0.25 0.45 -0.51 -2.47 0.00 0.00 174.74 172.41 1mhe s LEU 182 N 2.19 4.34 -0.33 8.88 1.43 -1.26 -4.86 118.68 129.08 1mhe s LEU 182 Ca 0.38 0.89 -0.00 0.00 -1.03 0.00 0.00 54.13 54.37 1mhe s LEU 182 Cb -0.16 -3.09 0.11 0.00 0.03 0.00 0.00 46.19 43.07 1mhe s LEU 182 CO 0.12 0.15 0.12 -0.70 0.23 0.00 0.00 176.35 176.26 1mhe s GLU 183 N -1.93 0.77 0.71 1.70 2.56 -0.74 -5.00 118.70 116.76 1mhe s GLU 183 Ca 0.35 -1.19 -0.16 0.00 0.00 0.00 0.00 54.97 53.97 1mhe s GLU 183 Cb -0.14 -2.01 0.03 0.00 2.00 0.00 0.00 34.13 34.00 1mhe s GLU 183 CO 0.18 -1.01 1.21 -1.25 -0.56 0.00 0.00 175.26 173.83 1mhe s PRO 184 N 1.46 2.29 0.32 4.30 0.04 -1.26 -1.73 135.00 140.41 1mhe s PRO 184 Ca 0.11 1.77 -0.27 0.00 0.04 0.00 0.00 61.00 62.65 1mhe s PRO 184 Cb -0.18 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1mhe s PRO 184 CO -0.22 -1.72 1.01 -1.25 0.04 0.00 0.00 177.00 174.86 1mhe s PRO 185 N -3.82 4.52 -0.16 0.56 0.04 -1.26 -4.63 135.00 130.26 1mhe s PRO 185 Ca 0.75 1.52 -0.22 0.00 0.04 0.00 0.00 61.00 63.10 1mhe s PRO 185 Cb -0.29 -2.90 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 1mhe s PRO 185 CO 0.43 0.18 0.65 0.15 0.04 0.00 0.00 177.00 178.46 1mhe s LYS 186 N -1.88 4.28 0.36 4.56 3.01 -0.64 -4.82 119.74 124.62 1mhe s LYS 186 Ca 0.49 0.70 0.08 0.00 -1.01 0.00 0.00 55.97 56.23 1mhe s LYS 186 Cb -0.24 -3.54 -0.04 0.00 -1.01 0.00 0.00 37.83 33.01 1mhe s LYS 186 CO 0.30 -0.15 0.21 0.99 0.51 0.00 0.00 175.35 177.22 1mhe s THR 187 N 1.57 2.93 0.00 2.17 2.01 -1.26 -0.98 115.64 122.08 1mhe s THR 187 Ca 0.31 -1.58 0.00 0.00 0.31 0.00 0.00 61.69 60.74 1mhe s THR 187 Cb -0.16 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.33 1mhe s THR 187 CO 0.12 -0.12 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 1mhe n HIS 188 N -1.27 0.00 -4.23 4.92 1.44 -1.20 -5.00 115.22 109.88 1mhe n HIS 188 Ca -0.01 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.41 1mhe n HIS 188 Cb 0.62 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.63 1mhe n HIS 188 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1mhe s VAL 189 N -2.00 3.40 0.02 0.61 1.01 -1.26 -0.76 120.40 121.42 1mhe s VAL 189 Ca 0.00 -1.37 0.04 0.00 0.00 0.00 0.00 61.98 60.65 1mhe s VAL 189 Cb 0.00 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1mhe s VAL 189 CO 0.00 0.03 -0.12 0.42 0.00 0.00 0.00 175.10 175.43 1mhe s THR 190 N -1.40 0.97 -0.18 3.92 -4.23 -0.83 -4.96 115.64 108.93 1mhe s THR 190 Ca 0.23 -0.78 -0.07 0.00 -1.18 0.00 0.00 61.69 59.89 1mhe s THR 190 Cb -0.10 -0.86 -0.04 0.00 1.34 0.00 0.00 72.50 72.84 1mhe s THR 190 CO 0.15 0.08 0.06 -2.28 -0.54 0.00 0.00 174.62 172.09 1mhe s HIS 191 N -0.63 3.25 -0.30 3.99 2.46 -1.26 -1.70 115.29 121.11 1mhe s HIS 191 Ca 0.02 0.08 -0.03 0.00 0.47 0.00 0.00 55.06 55.59 1mhe s HIS 191 Cb -0.06 -2.06 0.10 0.00 -0.13 0.00 0.00 32.58 30.42 1mhe s HIS 191 CO 0.00 0.17 0.13 -1.01 -2.47 0.00 0.00 174.74 171.57 1mhe s HIS 192 N 0.30 0.57 0.19 3.88 3.76 0.02 -4.94 115.29 119.06 1mhe s HIS 192 Ca 0.03 -1.06 -0.31 0.00 -0.15 0.00 0.00 55.06 53.57 1mhe s HIS 192 Cb -0.12 -1.03 -0.11 0.00 1.11 0.00 0.00 32.58 32.43 1mhe s HIS 192 CO 0.00 -0.84 1.59 -1.25 -0.85 0.00 0.00 174.74 173.40 1mhe s PRO 193 N 1.96 4.20 -0.16 8.40 0.04 -1.26 0.25 135.00 148.43 1mhe s PRO 193 Ca 0.10 2.42 -0.17 0.00 0.04 0.00 0.00 61.00 63.39 1mhe s PRO 193 Cb -0.17 -3.13 -0.06 0.00 0.04 0.00 0.00 34.50 31.19 1mhe s PRO 193 CO -0.33 -0.62 -0.32 -0.89 0.04 0.00 0.00 177.00 174.87 1mhe n ILE 194 N 3.75 1.48 -4.07 0.56 5.41 -0.03 -4.88 119.36 121.58 1mhe n ILE 194 Ca 0.13 0.16 -0.03 0.00 1.00 0.00 0.00 62.75 64.01 1mhe n ILE 194 Cb 0.38 -2.29 -0.01 0.00 -0.71 0.00 0.00 39.64 37.01 1mhe n ILE 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1mhe n SER 195 N -4.38 1.57 0.17 4.38 3.41 -0.60 -4.99 113.62 113.18 1mhe n SER 195 Ca -0.13 -1.25 0.13 0.00 -0.26 0.00 0.00 58.87 57.37 1mhe n SER 195 Cb 0.48 0.08 0.47 0.00 -0.26 0.00 0.00 64.21 64.97 1mhe n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1mhe h ASP 196 N 0.16 0.00 -0.00 4.04 3.32 -2.03 -3.23 116.42 118.68 1mhe h ASP 196 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1mhe h ASP 196 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1mhe h ASP 196 CO 0.07 0.00 -0.10 1.41 -1.72 0.00 0.00 179.24 178.90 1mhe n HIS 197 N -2.57 0.00 -3.98 4.55 8.25 -1.26 -4.84 115.22 115.37 1mhe n HIS 197 Ca 0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.40 1mhe n HIS 197 Cb 0.34 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.35 1mhe n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1mhe s GLU 198 N -0.89 0.37 0.31 -0.41 2.02 -1.22 -1.68 118.70 117.20 1mhe s GLU 198 Ca 0.04 -0.66 0.05 0.00 0.02 0.00 0.00 54.97 54.42 1mhe s GLU 198 Cb 0.04 0.13 -0.03 0.00 0.10 0.00 0.00 34.13 34.37 1mhe s GLU 198 CO 0.12 -0.07 0.23 0.00 0.02 0.00 0.00 175.26 175.56 1mhe s ALA 199 N -1.74 1.82 -0.07 5.21 0.00 0.08 -0.85 121.76 126.22 1mhe s ALA 199 Ca -0.13 -1.91 0.02 0.00 0.00 0.00 0.00 51.96 49.94 1mhe s ALA 199 Cb -0.08 1.38 0.01 0.00 0.00 0.00 0.00 23.12 24.43 1mhe s ALA 199 CO -0.02 -0.61 -0.14 0.99 0.00 0.00 0.00 175.76 175.99 1mhe s THR 200 N -3.59 1.24 -0.21 0.00 2.01 0.14 -1.33 115.64 113.90 1mhe s THR 200 Ca 0.39 -0.54 -0.08 0.00 0.31 0.00 0.00 61.69 61.77 1mhe s THR 200 Cb 0.04 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1mhe s THR 200 CO 0.23 0.38 0.08 -0.76 -0.69 0.00 0.00 174.62 173.86 1mhe s LEU 201 N 0.64 3.74 -0.27 4.42 1.43 -0.24 -0.80 118.68 127.61 1mhe s LEU 201 Ca -0.15 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1mhe s LEU 201 Cb -0.16 -1.97 0.07 0.00 0.03 0.00 0.00 46.19 44.15 1mhe s LEU 201 CO 0.04 0.09 -0.06 -0.60 0.23 0.00 0.00 176.35 176.04 1mhe s ARG 202 N 0.91 1.91 -0.29 1.70 3.52 -0.69 -0.70 118.95 125.31 1mhe s ARG 202 Ca 0.04 -1.35 -0.26 0.00 -0.13 0.00 0.00 55.73 54.04 1mhe s ARG 202 Cb -0.14 -2.85 0.01 0.00 -1.56 0.00 0.00 34.95 30.41 1mhe s ARG 202 CO 0.03 -0.65 0.90 0.00 -0.81 0.00 0.00 175.30 174.76 1mhe s TRP 204 N 3.15 3.37 -0.21 0.00 0.52 0.06 -1.35 118.94 124.49 1mhe s TRP 204 Ca 0.37 0.02 -0.04 0.00 0.02 0.00 0.00 56.10 56.47 1mhe s TRP 204 Cb -0.14 -1.57 0.11 0.00 -1.15 0.00 0.00 33.47 30.71 1mhe s TRP 204 CO 0.12 0.49 0.34 0.00 0.02 0.00 0.00 176.95 177.92 1mhe s ALA 205 N -1.88 -0.86 0.34 0.98 0.00 -0.67 -3.21 121.76 116.46 1mhe s ALA 205 Ca 0.34 0.89 0.08 0.00 0.00 0.00 0.00 51.96 53.26 1mhe s ALA 205 Cb -0.10 -1.45 -0.07 0.00 0.00 0.00 0.00 23.12 21.51 1mhe s ALA 205 CO 0.27 -1.07 -0.05 -0.51 0.00 0.00 0.00 175.76 174.40 1mhe s LEU 206 N 2.50 2.66 -1.67 0.00 1.43 -0.15 -1.44 118.68 122.00 1mhe s LEU 206 Ca 0.07 -1.25 -0.09 0.00 -1.03 0.00 0.00 54.13 51.84 1mhe s LEU 206 Cb -0.14 -0.84 0.09 0.00 0.03 0.00 0.00 46.19 45.33 1mhe s LEU 206 CO -0.13 -0.32 0.23 0.61 0.23 0.00 0.00 176.35 176.96 1mhe n GLY 207 N -0.77 -0.23 3.93 -3.19 0.00 -0.78 -1.62 105.19 102.54 1mhe n GLY 207 Ca -0.05 0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1mhe n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mhe s PHE 208 N -3.93 2.68 -0.29 1.61 -0.71 -0.69 -4.68 117.98 111.96 1mhe s PHE 208 Ca 0.32 -0.48 -0.22 0.00 -1.04 0.00 0.00 56.93 55.51 1mhe s PHE 208 Cb -0.19 -2.24 0.15 0.00 -1.21 0.00 0.00 43.02 39.53 1mhe s PHE 208 CO 1.00 -0.27 1.14 -0.47 -1.34 0.00 0.00 175.22 175.28 1mhe s TYR 209 N -2.44 -0.36 1.15 3.49 6.14 -0.71 -0.68 117.35 123.93 1mhe s TYR 209 Ca 0.51 0.83 -0.17 0.00 0.64 0.00 0.00 57.07 58.88 1mhe s TYR 209 Cb -0.06 0.36 0.26 0.00 0.42 0.00 0.00 41.96 42.95 1mhe s TYR 209 CO 0.30 -0.18 1.10 -1.25 0.64 0.00 0.00 175.55 176.16 1mhe s PRO 210 N 0.49 -0.81 0.55 4.97 0.04 -1.26 -1.80 135.00 137.19 1mhe s PRO 210 Ca 0.01 0.12 0.33 0.00 0.04 0.00 0.00 61.00 61.49 1mhe s PRO 210 Cb -0.04 -1.63 1.51 0.00 0.04 0.00 0.00 34.50 34.38 1mhe s PRO 210 CO -0.11 -3.47 2.05 0.00 0.04 0.00 0.00 177.00 175.51 1mhe h ALA 211 N -2.41 1.07 -2.53 8.56 0.00 -1.97 -3.44 119.26 118.54 1mhe h ALA 211 Ca -0.48 -0.06 -0.53 0.00 0.00 0.00 0.00 54.91 53.84 1mhe h ALA 211 Cb 1.31 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 19.13 1mhe h ALA 211 CO 0.41 0.08 1.06 -2.00 0.00 0.00 0.00 179.25 178.81 1mhe s GLU 212 N -3.88 4.15 0.19 0.00 2.56 -1.26 -4.96 118.70 115.50 1mhe s GLU 212 Ca -0.01 2.53 -0.23 0.00 0.00 0.00 0.00 54.97 57.26 1mhe s GLU 212 Cb 0.11 -3.49 0.05 0.00 2.00 0.00 0.00 34.13 32.81 1mhe s GLU 212 CO 0.54 -0.79 0.72 -1.50 -0.56 0.00 0.00 175.26 173.67 1mhe s ILE 213 N 2.37 0.00 -0.06 -3.70 2.07 -1.26 -4.71 121.20 115.91 1mhe s ILE 213 Ca 0.78 -0.46 -0.02 0.00 -1.41 0.00 0.00 60.65 59.54 1mhe s ILE 213 Cb -0.45 -1.49 0.04 0.00 0.13 0.00 0.00 42.46 40.68 1mhe s ILE 213 CO 0.35 0.00 0.13 -0.89 -1.91 0.00 0.00 174.94 172.61 1mhe s THR 214 N -3.70 -0.08 -0.06 4.00 2.01 -0.90 -4.99 115.64 111.91 1mhe s THR 214 Ca 0.06 0.22 0.05 0.00 0.31 0.00 0.00 61.69 62.34 1mhe s THR 214 Cb -0.03 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.25 1mhe s THR 214 CO -0.03 0.09 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.00 1mhe s LEU 215 N 1.35 2.21 -0.08 4.42 1.43 -1.26 -1.44 118.68 125.30 1mhe s LEU 215 Ca -0.07 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 1mhe s LEU 215 Cb -0.12 -1.41 0.03 0.00 0.03 0.00 0.00 46.19 44.72 1mhe s LEU 215 CO -0.05 0.26 0.20 -0.89 0.23 0.00 0.00 176.35 176.10 1mhe s THR 216 N -0.23 -0.03 -0.21 5.49 2.01 -0.21 -4.96 115.64 117.51 1mhe s THR 216 Ca -0.01 0.10 -0.15 0.00 0.31 0.00 0.00 61.69 61.94 1mhe s THR 216 Cb -0.13 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 1mhe s THR 216 CO 0.03 0.04 0.37 0.26 -0.69 0.00 0.00 174.62 174.64 1mhe s TRP 217 N 0.83 3.37 -0.06 4.92 0.23 -1.26 0.19 118.94 127.15 1mhe s TRP 217 Ca -0.06 0.57 0.02 0.00 -2.03 0.00 0.00 56.10 54.60 1mhe s TRP 217 Cb -0.07 -2.50 0.01 0.00 0.03 0.00 0.00 33.47 30.94 1mhe s TRP 217 CO -0.05 -0.00 -0.11 -0.65 0.96 0.00 0.00 176.95 177.10 1mhe s GLN 218 N 1.28 1.60 -0.18 4.98 -1.52 0.12 -2.32 119.66 123.62 1mhe s GLN 218 Ca 0.18 -0.38 -0.08 0.00 -1.95 0.00 0.00 55.36 53.13 1mhe s GLN 218 Cb -0.15 -1.34 -0.04 0.00 -0.22 0.00 0.00 33.01 31.26 1mhe s GLN 218 CO 0.08 0.01 0.10 -1.14 -0.25 0.00 0.00 175.29 174.09 1mhe s GLN 219 N 0.71 3.96 -1.48 2.91 0.74 -1.06 0.29 119.66 125.71 1mhe s GLN 219 Ca -0.14 -0.25 -0.05 0.00 0.05 0.00 0.00 55.36 54.96 1mhe s GLN 219 Cb -0.16 -3.29 0.05 0.00 1.10 0.00 0.00 33.01 30.71 1mhe s GLN 219 CO 0.03 0.38 0.13 -0.25 -0.55 0.00 0.00 175.29 175.03 1mhe n ASP 220 N 3.23 0.28 0.00 6.67 9.92 -0.10 0.10 116.55 136.65 1mhe n ASP 220 Ca -0.17 -1.16 0.00 0.00 -0.53 0.00 0.00 54.79 52.93 1mhe n ASP 220 Cb 0.53 -1.45 0.00 0.00 -0.64 0.00 0.00 41.12 39.56 1mhe n ASP 220 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mhe n GLY 221 N -2.11 2.05 3.16 0.44 0.00 -1.26 -5.01 105.19 102.47 1mhe n GLY 221 Ca -0.20 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 1mhe n GLY 221 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mhe n GLU 222 N 0.00 -2.69 -2.96 1.61 4.07 0.29 -4.99 120.64 115.97 1mhe n GLU 222 Ca 0.00 -0.79 -0.20 0.00 -0.06 0.00 0.00 57.16 56.11 1mhe n GLU 222 Cb 0.00 -1.68 0.06 0.00 -0.06 0.00 0.00 31.44 29.76 1mhe n GLU 222 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1mhe s GLY 223 N -2.20 1.76 -0.23 8.31 0.00 -1.26 -2.58 107.32 111.12 1mhe s GLY 223 Ca 0.51 -2.01 -0.35 0.00 0.00 0.00 0.00 44.72 42.87 1mhe s GLY 223 CO 0.50 -1.57 1.26 -1.58 0.00 0.00 0.00 173.10 171.71 1mhe s HIS 224 N -2.69 -0.10 0.00 1.90 2.46 -0.98 -4.31 115.29 111.56 1mhe s HIS 224 Ca 0.61 0.09 0.00 0.00 0.47 0.00 0.00 55.06 56.23 1mhe s HIS 224 Cb -0.06 0.50 0.00 0.00 -0.13 0.00 0.00 32.58 32.89 1mhe s HIS 224 CO 0.39 -0.14 0.00 2.41 -2.47 0.00 0.00 174.74 174.93 1mhe n THR 225 N 0.08 0.00 -1.90 0.89 -1.04 -1.26 -4.50 114.28 106.55 1mhe n THR 225 Ca 0.01 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 1mhe n THR 225 Cb 0.58 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.07 1mhe n THR 225 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mhe n GLN 226 N 0.00 4.03 0.00 -2.82 6.02 -1.26 -3.17 117.38 120.18 1mhe n GLN 226 Ca 0.00 -3.24 0.00 0.00 -0.01 0.00 0.00 57.00 53.75 1mhe n GLN 226 Cb 0.00 -2.48 0.00 0.00 1.02 0.00 0.00 30.24 28.78 1mhe n GLN 226 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1mhe n ASP 227 N 1.33 0.00 -4.50 1.08 -0.08 -1.26 -4.80 116.55 108.33 1mhe n ASP 227 Ca 0.58 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 53.43 1mhe n ASP 227 Cb 0.33 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.76 1mhe n ASP 227 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1mhe s THR 228 N -0.58 4.18 0.05 5.18 2.01 -1.19 -3.54 115.64 121.75 1mhe s THR 228 Ca 0.00 -0.49 -0.22 0.00 0.31 0.00 0.00 61.69 61.29 1mhe s THR 228 Cb 0.00 -4.83 -0.06 0.00 0.01 0.00 0.00 72.50 67.62 1mhe s THR 228 CO 0.00 -1.65 0.66 -0.70 -0.69 0.00 0.00 174.62 172.23 1mhe s GLU 229 N 4.37 4.37 -0.01 4.92 2.12 -0.76 -4.91 118.70 128.80 1mhe s GLU 229 Ca 0.32 0.87 0.04 0.00 0.36 0.00 0.00 54.97 56.56 1mhe s GLU 229 Cb -0.09 -3.31 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 1mhe s GLU 229 CO 0.04 0.43 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.90 1mhe s LEU 230 N -0.49 2.01 0.05 2.70 2.96 -1.26 -1.12 118.68 123.52 1mhe s LEU 230 Ca 0.33 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 1mhe s LEU 230 Cb -0.20 -0.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.84 1mhe s LEU 230 CO 0.20 0.14 0.01 0.68 -1.32 0.00 0.00 176.35 176.06 1mhe s VAL 231 N -0.25 4.15 0.23 1.68 -7.23 -1.16 -5.07 120.40 112.76 1mhe s VAL 231 Ca 0.04 -0.78 -0.32 0.00 -1.81 0.00 0.00 61.98 59.11 1mhe s VAL 231 Cb -0.05 -2.92 -0.12 0.00 0.56 0.00 0.00 36.38 33.85 1mhe s VAL 231 CO -0.00 0.24 1.66 1.21 -0.31 0.00 0.00 175.10 177.90 1mhe n GLU 232 N 0.93 2.68 -1.60 4.82 2.13 -1.26 -4.58 120.64 123.76 1mhe n GLU 232 Ca -0.12 0.96 -0.52 0.00 0.66 0.00 0.00 57.16 58.14 1mhe n GLU 232 Cb 0.52 -2.78 -0.06 0.00 0.27 0.00 0.00 31.44 29.39 1mhe n GLU 232 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1mhe n THR 233 N 3.31 0.02 -4.43 6.31 -1.04 -1.26 -4.95 114.28 112.23 1mhe n THR 233 Ca 0.14 -0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.92 1mhe n THR 233 Cb 0.35 -0.90 -0.10 0.00 -1.82 0.00 0.00 70.33 67.86 1mhe n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mhe s ARG 234 N 0.67 1.55 0.19 -2.82 1.70 -0.70 -4.98 118.95 114.57 1mhe s ARG 234 Ca 0.85 -1.71 -0.23 0.00 -0.47 0.00 0.00 55.73 54.16 1mhe s ARG 234 Cb -0.94 -1.50 -0.08 0.00 -0.57 0.00 0.00 34.95 31.86 1mhe s ARG 234 CO 0.47 0.25 0.76 -1.25 -1.08 0.00 0.00 175.30 174.45 1mhe s PRO 235 N -3.57 4.43 0.10 3.89 0.04 -1.26 -1.14 135.00 137.48 1mhe s PRO 235 Ca 0.27 1.04 -0.05 0.00 0.04 0.00 0.00 61.00 62.31 1mhe s PRO 235 Cb -0.03 -3.09 -0.19 0.00 0.04 0.00 0.00 34.50 31.24 1mhe s PRO 235 CO 0.12 0.49 1.22 0.00 0.04 0.00 0.00 177.00 178.87 1mhe h ALA 236 N 3.93 0.23 0.00 8.56 0.00 -0.54 -3.46 119.26 127.97 1mhe h ALA 236 Ca -0.47 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 53.64 1mhe h ALA 236 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1mhe h ALA 236 CO 0.65 0.88 0.00 0.41 0.00 0.00 0.00 179.25 181.20 1mhe n GLY 237 N 1.24 0.64 0.53 0.00 0.00 -1.25 -4.93 105.19 101.42 1mhe n GLY 237 Ca -0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.99 1mhe n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mhe n ASP 238 N 0.00 2.89 0.00 1.61 5.68 -1.26 -4.93 116.55 120.53 1mhe n ASP 238 Ca 0.00 -2.22 0.00 0.00 -0.50 0.00 0.00 54.79 52.07 1mhe n ASP 238 Cb 0.00 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 1mhe n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mhe n GLY 239 N 0.06 2.73 3.92 6.12 0.00 -1.26 -5.07 105.19 111.68 1mhe n GLY 239 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1mhe n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mhe s THR 240 N -2.56 2.62 0.52 2.61 -4.23 -1.26 -4.96 115.64 108.38 1mhe s THR 240 Ca 0.00 -1.26 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 1mhe s THR 240 Cb 0.00 -2.88 -0.00 0.00 1.34 0.00 0.00 72.50 70.95 1mhe s THR 240 CO 0.00 0.00 0.03 -0.36 -0.54 0.00 0.00 174.62 173.75 1mhe s PHE 241 N -2.48 1.80 0.11 3.99 0.40 0.14 0.20 117.98 122.13 1mhe s PHE 241 Ca 0.49 -0.97 -0.19 0.00 -0.60 0.00 0.00 56.93 55.66 1mhe s PHE 241 Cb -0.05 -1.62 0.05 0.00 0.51 0.00 0.00 43.02 41.91 1mhe s PHE 241 CO 0.29 0.17 0.48 1.14 0.70 0.00 0.00 175.22 178.00 1mhe s GLN 242 N -3.92 1.10 -0.07 0.44 -2.07 -0.30 -1.71 119.66 113.14 1mhe s GLN 242 Ca 0.05 -0.51 -0.29 0.00 -1.82 0.00 0.00 55.36 52.79 1mhe s GLN 242 Cb 0.01 0.49 0.10 0.00 -1.09 0.00 0.00 33.01 32.52 1mhe s GLN 242 CO 0.03 -0.43 0.86 0.21 -1.32 0.00 0.00 175.29 174.64 1mhe s LYS 243 N -3.35 0.82 0.01 9.60 2.20 -0.52 -1.72 119.74 126.78 1mhe s LYS 243 Ca -0.00 0.02 -0.08 0.00 -0.36 0.00 0.00 55.97 55.55 1mhe s LYS 243 Cb 0.00 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.71 1mhe s LYS 243 CO -0.09 -0.29 0.14 1.67 -0.36 0.00 0.00 175.35 176.42 1mhe s TRP 244 N -1.83 0.06 -0.05 4.03 1.48 -1.26 -1.67 118.94 119.69 1mhe s TRP 244 Ca -0.02 -0.19 0.02 0.00 -1.06 0.00 0.00 56.10 54.85 1mhe s TRP 244 Cb -0.01 -0.05 0.01 0.00 -1.16 0.00 0.00 33.47 32.26 1mhe s TRP 244 CO -0.00 -0.32 -0.10 0.00 -4.06 0.00 0.00 176.95 172.47 1mhe s ALA 245 N -1.67 1.06 0.36 2.67 0.00 -0.46 -2.96 121.76 120.77 1mhe s ALA 245 Ca -0.13 -0.32 0.09 0.00 0.00 0.00 0.00 51.96 51.60 1mhe s ALA 245 Cb -0.06 -0.49 -0.06 0.00 0.00 0.00 0.00 23.12 22.51 1mhe s ALA 245 CO 0.00 0.09 0.01 0.00 0.00 0.00 0.00 175.76 175.87 1mhe s ALA 246 N 0.64 3.20 -0.27 0.00 0.00 -0.28 0.02 121.76 125.07 1mhe s ALA 246 Ca -0.12 -2.07 -0.25 0.00 0.00 0.00 0.00 51.96 49.53 1mhe s ALA 246 Cb -0.14 -0.22 0.07 0.00 0.00 0.00 0.00 23.12 22.83 1mhe s ALA 246 CO 0.02 0.01 0.74 0.54 0.00 0.00 0.00 175.76 177.07 1mhe s VAL 247 N -2.58 0.00 -0.16 0.00 0.11 0.12 -1.82 120.40 116.08 1mhe s VAL 247 Ca 0.35 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 59.20 1mhe s VAL 247 Cb 0.03 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1mhe s VAL 247 CO 0.19 0.00 0.59 -0.69 -3.33 0.00 0.00 175.10 171.86 1mhe s VAL 248 N 0.40 5.08 0.06 2.04 1.01 -1.23 -1.08 120.40 126.68 1mhe s VAL 248 Ca -0.00 1.14 0.07 0.00 0.00 0.00 0.00 61.98 63.19 1mhe s VAL 248 Cb -0.05 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1mhe s VAL 248 CO 0.00 0.20 -0.19 -0.69 0.00 0.00 0.00 175.10 174.42 1mhe s VAL 249 N 1.36 1.49 -0.02 2.92 1.01 -0.44 -4.89 120.40 121.83 1mhe s VAL 249 Ca 0.29 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 1mhe s VAL 249 Cb -0.16 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1mhe s VAL 249 CO 0.12 0.05 1.34 -2.84 0.00 0.00 0.00 175.10 173.76 1mhe s PRO 250 N -1.41 4.30 0.20 2.72 0.02 -1.26 -0.74 135.00 138.82 1mhe s PRO 250 Ca 0.05 1.88 -0.31 0.00 0.02 0.00 0.00 61.00 62.63 1mhe s PRO 250 Cb -0.09 -3.57 -0.15 0.00 0.02 0.00 0.00 34.50 30.70 1mhe s PRO 250 CO 0.02 -0.54 1.08 -1.13 -0.33 0.00 0.00 177.00 176.10 1mhe n SER 251 N 5.35 1.13 0.00 2.53 3.41 -0.67 -1.85 113.62 123.52 1mhe n SER 251 Ca 0.13 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.89 1mhe n SER 251 Cb 0.44 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 1mhe n SER 251 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mhe n GLY 252 N 1.82 1.33 0.82 5.00 0.00 -1.26 -4.86 105.19 108.03 1mhe n GLY 252 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.25 1mhe n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mhe n GLU 253 N -2.00 1.88 -0.33 1.61 1.02 -0.77 -4.64 120.64 117.40 1mhe n GLU 253 Ca 0.00 -1.81 0.25 0.00 -0.02 0.00 0.00 57.16 55.58 1mhe n GLU 253 Cb 0.00 -1.38 0.49 0.00 -0.02 0.00 0.00 31.44 30.53 1mhe n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1mhe h GLU 254 N 3.56 0.27 -0.23 3.49 3.07 -1.90 0.14 114.58 122.98 1mhe h GLU 254 Ca 0.00 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1mhe h GLU 254 Cb 0.80 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 1mhe h GLU 254 CO 0.00 0.18 0.01 1.96 -1.40 0.00 0.00 179.01 179.76 1mhe h GLN 255 N 0.28 0.34 -0.84 2.33 7.50 -1.85 -3.01 115.11 119.85 1mhe h GLN 255 Ca 0.75 -0.05 0.12 0.00 0.50 0.00 0.00 58.65 59.97 1mhe h GLN 255 Cb 1.76 -0.06 -0.06 0.00 0.05 0.00 0.00 27.48 29.17 1mhe h GLN 255 CO -0.63 0.36 0.54 0.00 -1.50 0.00 0.00 178.83 177.60 1mhe h ARG 256 N 0.33 0.66 -6.36 1.46 3.08 -1.07 -3.44 114.38 109.05 1mhe h ARG 256 Ca 0.08 -0.04 -0.55 0.00 0.07 0.00 0.00 59.98 59.54 1mhe h ARG 256 Cb 0.21 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1mhe h ARG 256 CO 0.00 0.44 -0.02 0.71 -1.07 0.00 0.00 179.97 180.03 1mhe s TYR 257 N -5.65 3.69 0.01 3.04 1.51 -1.14 -0.92 117.35 117.89 1mhe s TYR 257 Ca -0.10 1.22 -0.00 0.00 -1.01 0.00 0.00 57.07 57.19 1mhe s TYR 257 Cb 0.21 -2.48 -0.01 0.00 -0.11 0.00 0.00 41.96 39.57 1mhe s TYR 257 CO 0.78 0.46 -0.01 0.95 -1.11 0.00 0.00 175.55 176.63 1mhe s THR 258 N -1.36 0.04 -0.18 -0.71 -4.23 0.14 -4.70 115.64 104.64 1mhe s THR 258 Ca 0.36 -0.31 -0.08 0.00 -1.18 0.00 0.00 61.69 60.48 1mhe s THR 258 Cb -0.17 -0.10 -0.04 0.00 1.34 0.00 0.00 72.50 73.53 1mhe s THR 258 CO 0.20 -0.17 0.07 0.00 -0.54 0.00 0.00 174.62 174.18 1mhe s HIS 260 N 0.34 3.07 -0.11 0.00 3.76 0.13 -1.24 115.29 121.24 1mhe s HIS 260 Ca 0.04 -0.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.93 1mhe s HIS 260 Cb -0.12 -1.85 0.02 0.00 1.11 0.00 0.00 32.58 31.74 1mhe s HIS 260 CO -0.00 0.24 -0.10 0.08 -0.85 0.00 0.00 174.74 174.11 1mhe s VAL 261 N -0.34 1.16 -0.11 -0.90 1.01 0.10 -1.05 120.40 120.27 1mhe s VAL 261 Ca 0.06 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1mhe s VAL 261 Cb -0.12 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 1mhe s VAL 261 CO 0.02 0.38 -0.15 -1.10 0.00 0.00 0.00 175.10 174.26 1mhe s GLN 262 N 1.47 3.17 -0.27 2.72 -0.21 -0.52 -2.09 119.66 123.93 1mhe s GLN 262 Ca 0.01 -0.72 -0.23 0.00 0.02 0.00 0.00 55.36 54.44 1mhe s GLN 262 Cb -0.13 -2.53 0.07 0.00 1.00 0.00 0.00 33.01 31.42 1mhe s GLN 262 CO -0.06 0.28 0.70 -1.58 -2.12 0.00 0.00 175.29 172.51 1mhe s HIS 263 N 0.16 -0.83 0.62 0.91 2.46 -1.26 -2.12 115.29 115.22 1mhe s HIS 263 Ca -0.08 1.94 0.30 0.00 0.47 0.00 0.00 55.06 57.68 1mhe s HIS 263 Cb -0.15 0.34 1.60 0.00 -0.13 0.00 0.00 32.58 34.23 1mhe s HIS 263 CO 0.05 -0.40 1.96 1.49 -2.47 0.00 0.00 174.74 175.37 1mhe h GLU 264 N 5.43 0.00 -0.00 2.88 4.81 -1.95 0.17 114.58 125.91 1mhe h GLU 264 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1mhe h GLU 264 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1mhe h GLU 264 CO 0.08 0.00 -0.03 0.41 -0.73 0.00 0.00 179.01 178.74 1mhe n GLY 265 N -1.37 -1.11 3.77 1.92 0.00 -1.26 -4.76 105.19 102.39 1mhe n GLY 265 Ca 0.03 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1mhe n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mhe s LEU 266 N -2.41 4.23 0.34 0.99 1.43 0.58 -4.39 118.68 119.46 1mhe s LEU 266 Ca 0.33 0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.78 1mhe s LEU 266 Cb 0.21 -2.07 0.71 0.00 0.03 0.00 0.00 46.19 45.06 1mhe s LEU 266 CO 0.44 0.26 1.91 1.55 0.23 0.00 0.00 176.35 180.74 1mhe h PRO 267 N 6.10 0.78 -3.13 1.29 0.13 -1.85 -3.44 132.00 131.89 1mhe h PRO 267 Ca -0.45 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 1mhe h PRO 267 Cb 1.18 -0.18 -0.13 0.00 0.13 0.00 0.00 31.00 32.00 1mhe h PRO 267 CO 0.70 0.52 0.08 -1.83 -0.23 0.00 0.00 178.00 177.23 1mhe s GLU 268 N -5.74 1.17 1.02 0.86 -1.05 -1.26 -5.16 118.70 108.55 1mhe s GLU 268 Ca -0.10 -0.54 -0.17 0.00 -0.15 0.00 0.00 54.97 54.00 1mhe s GLU 268 Cb 0.20 0.53 -0.00 0.00 -0.44 0.00 0.00 34.13 34.42 1mhe s GLU 268 CO 0.78 -0.48 -0.19 -0.35 0.95 0.00 0.00 175.26 175.97 1mhe n PRO 269 N -0.23 -0.65 -4.45 -4.83 -0.04 -1.26 -4.97 135.00 118.57 1mhe n PRO 269 Ca -0.17 -0.17 -0.20 0.00 -0.04 0.00 0.00 63.50 62.92 1mhe n PRO 269 Cb 0.64 -1.55 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 1mhe n PRO 269 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1mhe s VAL 270 N -2.22 0.96 -0.08 0.52 1.01 -0.89 -4.97 120.40 114.73 1mhe s VAL 270 Ca 0.51 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1mhe s VAL 270 Cb -0.13 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.42 1mhe s VAL 270 CO 0.69 0.16 -0.19 -0.89 0.00 0.00 0.00 175.10 174.87 1mhe s THR 271 N -0.49 1.67 0.41 3.92 2.01 -1.26 -0.72 115.64 121.19 1mhe s THR 271 Ca 0.03 -0.81 0.07 0.00 0.31 0.00 0.00 61.69 61.30 1mhe s THR 271 Cb -0.06 -1.46 -0.06 0.00 0.01 0.00 0.00 72.50 70.94 1mhe s THR 271 CO 0.00 0.47 0.14 -0.76 -0.69 0.00 0.00 174.62 173.79 1mhe s LEU 272 N 0.34 3.07 0.00 4.42 2.01 -0.37 -4.95 118.68 123.19 1mhe s LEU 272 Ca -0.14 -1.14 0.00 0.00 0.01 0.00 0.00 54.13 52.87 1mhe s LEU 272 Cb -0.16 -1.33 0.00 0.00 0.01 0.00 0.00 46.19 44.71 1mhe s LEU 272 CO 0.06 -0.52 0.00 -1.14 1.01 0.00 0.00 176.35 175.76 1mhe n ARG 273 N -1.18 0.00 -0.29 1.70 0.63 -1.26 -2.27 116.66 113.99 1mhe n ARG 273 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1mhe n ARG 273 Cb 0.65 -0.25 0.00 0.00 0.45 0.00 0.00 32.46 33.31 1mhe n ARG 273 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99