#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1meh s LYS 3 N 0.00 3.71 0.44 0.00 2.20 -1.26 -5.11 119.74 119.71 1meh s LYS 3 Ca 0.00 -0.43 0.06 0.00 -0.36 0.00 0.00 55.97 55.25 1meh s LYS 3 Cb 0.00 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 1meh s LYS 3 CO 0.00 0.32 0.17 0.71 -0.36 0.00 0.00 175.35 176.19 1meh s TYR 4 N 0.18 2.42 0.20 4.03 2.02 -1.26 -5.16 117.35 119.77 1meh s TYR 4 Ca 0.01 -0.66 0.11 0.00 -0.37 0.00 0.00 57.07 56.16 1meh s TYR 4 Cb -0.13 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.49 1meh s TYR 4 CO 0.02 0.15 -0.23 0.71 -1.57 0.00 0.00 175.55 174.63 1meh s TYR 5 N -2.66 2.20 0.13 2.71 1.51 -1.26 -5.06 117.35 114.93 1meh s TYR 5 Ca 0.36 -0.38 -0.12 0.00 -1.01 0.00 0.00 57.07 55.92 1meh s TYR 5 Cb 0.04 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 1meh s TYR 5 CO 0.20 0.49 1.49 -0.91 -1.11 0.00 0.00 175.55 175.70 1meh h ASN 6 N 3.13 0.92 -3.46 2.29 -0.26 -2.08 -3.45 115.58 112.67 1meh h ASN 6 Ca -0.45 -0.44 -0.62 0.00 -0.56 0.00 0.00 56.30 54.23 1meh h ASN 6 Cb 1.21 -0.26 -0.19 0.00 -1.06 0.00 0.00 38.32 38.02 1meh h ASN 6 CO 0.50 1.16 -0.82 -1.61 -1.06 0.00 0.00 177.43 175.60 1meh s GLU 7 N -4.50 1.41 0.63 0.81 0.41 -1.26 -5.14 118.70 111.06 1meh s GLU 7 Ca -0.12 -1.44 -0.13 0.00 -0.41 0.00 0.00 54.97 52.88 1meh s GLU 7 Cb 0.11 -1.68 -0.03 0.00 -1.78 0.00 0.00 34.13 30.75 1meh s GLU 7 CO 0.86 0.37 1.04 -1.25 -0.49 0.00 0.00 175.26 175.79 1meh s PRO 8 N -2.55 3.34 0.49 0.39 0.04 -1.26 -5.04 135.00 130.41 1meh s PRO 8 Ca 0.17 0.94 -0.14 0.00 0.04 0.00 0.00 61.00 62.01 1meh s PRO 8 Cb -0.08 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 1meh s PRO 8 CO 0.08 -0.78 0.92 0.00 0.04 0.00 0.00 177.00 177.27 1meh s HIS 10 N -2.60 1.58 0.46 0.00 3.76 -1.26 -4.72 115.29 112.51 1meh s HIS 10 Ca 0.56 -0.61 0.08 0.00 -0.15 0.00 0.00 55.06 54.94 1meh s HIS 10 Cb -0.10 -0.76 0.02 0.00 1.11 0.00 0.00 32.58 32.85 1meh s HIS 10 CO 0.33 0.27 0.53 0.95 -0.85 0.00 0.00 174.74 175.97 1meh s THR 11 N -2.90 2.56 0.41 1.30 -4.23 -1.26 -1.85 115.64 109.67 1meh s THR 11 Ca 0.19 -1.18 0.09 0.00 -1.18 0.00 0.00 61.69 59.61 1meh s THR 11 Cb -0.01 -2.74 0.22 0.00 1.34 0.00 0.00 72.50 71.31 1meh s THR 11 CO 0.05 0.00 2.01 -0.26 -0.54 0.00 0.00 174.62 175.88 1meh h PHE 12 N 0.70 0.35 0.00 3.99 0.04 -1.94 -2.29 116.94 117.79 1meh h PHE 12 Ca -0.38 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.38 1meh h PHE 12 Cb 1.28 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1meh h PHE 12 CO 0.51 0.31 0.00 -0.91 -0.60 0.00 0.00 178.31 177.62 1meh h ASN 13 N 0.35 0.00 -0.33 2.17 -0.26 -1.95 -2.02 115.58 113.53 1meh h ASN 13 Ca 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 1meh h ASN 13 Cb 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1meh h ASN 13 CO -0.00 0.00 0.00 -0.62 -1.06 0.00 0.00 177.43 175.75 1meh n GLU 14 N -2.53 1.95 -4.29 0.81 1.02 -0.86 -4.93 120.64 111.80 1meh n GLU 14 Ca -0.02 -1.46 -0.20 0.00 -0.02 0.00 0.00 57.16 55.47 1meh n GLU 14 Cb 0.06 -1.37 -0.11 0.00 -0.02 0.00 0.00 31.44 30.00 1meh n GLU 14 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1meh s TYR 15 N -1.56 1.62 0.05 -0.32 2.02 -0.76 -0.06 117.35 118.34 1meh s TYR 15 Ca 0.31 -0.51 -0.07 0.00 -0.37 0.00 0.00 57.07 56.42 1meh s TYR 15 Cb 0.16 -0.82 -0.00 0.00 -0.40 0.00 0.00 41.96 40.90 1meh s TYR 15 CO 0.23 0.24 0.15 -0.51 -1.57 0.00 0.00 175.55 174.09 1meh s LEU 16 N -2.59 1.60 -0.13 -1.29 1.43 -0.60 -4.93 118.68 112.17 1meh s LEU 16 Ca 0.13 -0.50 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 1meh s LEU 16 Cb -0.05 0.80 -0.04 0.00 0.03 0.00 0.00 46.19 46.92 1meh s LEU 16 CO 0.05 -0.56 0.14 -0.76 0.23 0.00 0.00 176.35 175.44 1meh s LEU 17 N -2.25 4.35 -0.22 1.79 1.43 -1.26 -1.34 118.68 121.18 1meh s LEU 17 Ca -0.03 0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 1meh s LEU 17 Cb 0.00 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 1meh s LEU 17 CO -0.05 0.38 0.16 -0.63 0.23 0.00 0.00 176.35 176.44 1meh s ILE 18 N -0.86 5.37 0.58 -0.59 1.01 -0.27 -4.97 121.20 121.48 1meh s ILE 18 Ca 0.14 0.22 -0.19 0.00 0.00 0.00 0.00 60.65 60.82 1meh s ILE 18 Cb -0.12 -3.50 -0.06 0.00 0.01 0.00 0.00 42.46 38.79 1meh s ILE 18 CO 0.03 0.38 0.87 -2.65 0.00 0.00 0.00 174.94 173.57 1meh n PRO 19 N 4.00 0.84 -1.82 2.79 -0.02 -1.26 -4.35 135.00 135.18 1meh n PRO 19 Ca -0.15 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1meh n PRO 19 Cb 0.52 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1meh n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1meh n GLY 20 N 1.39 4.05 3.67 -1.23 0.00 -0.57 -4.96 105.19 107.54 1meh n GLY 20 Ca 0.13 -2.19 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 1meh n GLY 20 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1meh s LEU 21 N 0.00 4.24 -0.24 0.99 2.96 -1.26 -4.56 118.68 120.81 1meh s LEU 21 Ca 0.00 1.84 -0.16 0.00 -0.22 0.00 0.00 54.13 55.59 1meh s LEU 21 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 1meh s LEU 21 CO 0.00 -0.74 0.41 -0.44 -1.32 0.00 0.00 176.35 174.26 1meh s SER 22 N 2.03 6.36 0.35 3.68 0.01 -1.26 -3.86 113.70 121.00 1meh s SER 22 Ca 0.58 0.42 -0.06 0.00 1.31 0.00 0.00 55.95 58.21 1meh s SER 22 Cb -0.25 -2.23 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 1meh s SER 22 CO 0.20 -0.16 0.63 0.42 0.41 0.00 0.00 173.24 174.74 1meh s THR 23 N 1.80 4.96 0.62 1.44 -4.23 -1.26 -4.97 115.64 114.00 1meh s THR 23 Ca 0.18 0.16 0.33 0.00 -1.18 0.00 0.00 61.69 61.17 1meh s THR 23 Cb -0.15 -3.76 0.37 0.00 1.34 0.00 0.00 72.50 70.30 1meh s THR 23 CO 0.09 -0.46 2.18 -0.37 -0.54 0.00 0.00 174.62 175.52 1meh h VAL 24 N 1.10 0.30 -0.00 2.29 -1.51 -2.01 -0.88 116.25 115.54 1meh h VAL 24 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1meh h VAL 24 Cb 1.19 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 1meh h VAL 24 CO 0.65 0.00 -0.09 -0.90 -1.23 0.00 0.00 177.57 176.00 1meh n ASP 25 N -3.51 0.20 -4.36 4.19 5.68 -1.26 -4.72 116.55 112.77 1meh n ASP 25 Ca -0.01 -0.11 -0.45 0.00 -0.50 0.00 0.00 54.79 53.72 1meh n ASP 25 Cb 0.22 -0.22 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 1meh n ASP 25 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1meh s ILE 27 N 2.14 1.35 0.31 0.00 -4.36 -1.26 -4.87 121.20 114.51 1meh s ILE 27 Ca 0.08 -1.31 0.04 0.00 -0.26 0.00 0.00 60.65 59.20 1meh s ILE 27 Cb -0.26 -1.25 0.40 0.00 1.25 0.00 0.00 42.46 42.60 1meh s ILE 27 CO 0.06 -0.09 1.51 -2.65 0.24 0.00 0.00 174.94 174.01 1meh n PRO 28 N 1.39 -0.07 0.30 0.37 -0.02 -1.26 -0.30 135.00 135.41 1meh n PRO 28 Ca -0.20 1.43 0.19 0.00 -2.02 0.00 0.00 63.50 62.91 1meh n PRO 28 Cb 0.54 -2.31 0.94 0.00 -0.02 0.00 0.00 33.50 32.65 1meh n PRO 28 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1meh h SER 29 N 0.00 0.00 0.12 2.55 4.64 -1.96 -2.09 113.55 116.81 1meh h SER 29 Ca 0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 1meh h SER 29 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1meh h SER 29 CO -0.89 0.02 -0.29 0.59 -0.87 0.00 0.00 176.83 175.39 1meh n ASN 30 N -3.21 1.50 -4.71 4.97 3.02 0.59 -4.91 115.26 112.50 1meh n ASN 30 Ca -0.02 -1.21 -0.42 0.00 -0.03 0.00 0.00 54.58 52.91 1meh n ASN 30 Cb 0.18 0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.55 1meh n ASN 30 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1meh s VAL 31 N -2.42 4.42 -0.31 2.41 1.01 -0.79 -4.96 120.40 119.76 1meh s VAL 31 Ca 0.24 1.74 -0.12 0.00 0.00 0.00 0.00 61.98 63.84 1meh s VAL 31 Cb 0.19 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1meh s VAL 31 CO 0.51 0.12 0.20 0.21 0.00 0.00 0.00 175.10 176.14 1meh s ASN 32 N 1.07 5.94 -0.22 3.32 3.84 0.29 -4.98 114.94 124.20 1meh s ASN 32 Ca 0.55 -0.29 0.15 0.00 0.21 0.00 0.00 52.86 53.49 1meh s ASN 32 Cb -0.25 -2.10 0.81 0.00 -0.55 0.00 0.00 41.25 39.15 1meh s ASN 32 CO 0.28 -0.16 1.73 0.18 -2.79 0.00 0.00 177.10 176.34 1meh n LEU 33 N 5.07 5.59 -4.73 3.21 4.77 -1.26 -3.85 117.00 125.79 1meh n LEU 33 Ca -0.13 -2.87 -0.36 0.00 -0.03 0.00 0.00 56.01 52.61 1meh n LEU 33 Cb 0.50 -0.67 0.06 0.00 -2.33 0.00 0.00 43.42 40.99 1meh n LEU 33 CO 0.35 0.66 0.87 -0.55 -1.33 0.00 0.00 177.39 177.39 1meh s SER 34 N -0.83 4.66 -0.15 -1.43 0.15 -1.23 -3.64 113.70 111.24 1meh s SER 34 Ca 0.54 2.53 -0.29 0.00 0.70 0.00 0.00 55.95 59.44 1meh s SER 34 Cb 0.40 -2.61 0.08 0.00 -1.71 0.00 0.00 66.02 62.18 1meh s SER 34 CO 0.17 -1.96 0.73 0.28 1.20 0.00 0.00 173.24 173.66 1meh s THR 35 N -1.53 0.00 0.31 6.45 -1.32 -0.70 -4.68 115.64 114.16 1meh s THR 35 Ca 0.80 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 61.00 1meh s THR 35 Cb -0.35 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.55 1meh s THR 35 CO 0.39 0.00 1.12 -2.16 -2.21 0.00 0.00 174.62 171.76 1meh s PRO 36 N -0.56 4.51 -0.21 7.08 0.04 -1.26 -0.28 135.00 144.32 1meh s PRO 36 Ca -0.06 1.81 0.07 0.00 0.04 0.00 0.00 61.00 62.86 1meh s PRO 36 Cb -0.02 -3.06 -0.18 0.00 0.04 0.00 0.00 34.50 31.28 1meh s PRO 36 CO 0.05 0.09 -0.11 -0.11 0.04 0.00 0.00 177.00 176.97 1meh n LEU 37 N 0.92 1.86 -4.33 -3.56 7.94 -0.05 -4.79 117.00 114.98 1meh n LEU 37 Ca 0.00 -0.08 -0.23 0.00 -1.11 0.00 0.00 56.01 54.59 1meh n LEU 37 Cb 0.45 -0.34 -0.12 0.00 0.53 0.00 0.00 43.42 43.94 1meh n LEU 37 CO 0.53 0.73 -0.50 0.68 -1.11 0.00 0.00 177.39 177.72 1meh s VAL 38 N -2.46 1.87 0.62 1.96 -7.23 -1.25 -4.54 120.40 109.37 1meh s VAL 38 Ca -0.23 -1.81 -0.18 0.00 -1.81 0.00 0.00 61.98 57.95 1meh s VAL 38 Cb 0.07 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 1meh s VAL 38 CO 0.61 -0.20 1.01 2.29 -0.31 0.00 0.00 175.10 178.51 1meh n LYS 39 N 0.55 0.89 -3.91 4.82 2.85 0.62 -4.57 118.16 119.39 1meh n LYS 39 Ca -0.15 0.35 -0.09 0.00 -1.05 0.00 0.00 58.31 57.37 1meh n LYS 39 Cb 0.56 -2.23 -0.05 0.00 -0.65 0.00 0.00 35.03 32.66 1meh n LYS 39 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 1meh s PHE 40 N -1.51 0.20 0.43 5.58 -0.71 -0.91 -4.75 117.98 116.31 1meh s PHE 40 Ca 0.78 -0.57 -0.04 0.00 -1.04 0.00 0.00 56.93 56.06 1meh s PHE 40 Cb -0.40 0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.61 1meh s PHE 40 CO 0.45 -0.95 0.71 -0.65 -1.34 0.00 0.00 175.22 173.44 1meh s GLN 41 N -3.97 3.54 0.14 1.99 -1.52 -1.26 -0.35 119.66 118.24 1meh s GLN 41 Ca 0.17 0.06 -0.34 0.00 -1.95 0.00 0.00 55.36 53.30 1meh s GLN 41 Cb -0.01 -2.47 -0.15 0.00 -0.22 0.00 0.00 33.01 30.16 1meh s GLN 41 CO 0.04 -0.08 1.38 1.17 -0.25 0.00 0.00 175.29 177.56 1meh n LYS 42 N -2.01 1.56 0.00 2.91 4.81 0.57 -1.09 118.16 124.90 1meh n LYS 42 Ca -0.01 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 1meh n LYS 42 Cb 0.55 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.39 1meh n LYS 42 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1meh n GLY 43 N 2.63 2.44 3.99 3.14 0.00 -1.26 -5.04 105.19 111.10 1meh n GLY 43 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1meh n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1meh s GLN 44 N -0.54 1.80 0.16 1.61 -0.21 -0.25 -5.11 119.66 117.12 1meh s GLN 44 Ca 0.00 -1.08 0.09 0.00 0.02 0.00 0.00 55.36 54.39 1meh s GLN 44 Cb 0.00 -2.36 -0.04 0.00 1.00 0.00 0.00 33.01 31.61 1meh s GLN 44 CO 0.00 -1.34 -0.13 -0.65 -2.12 0.00 0.00 175.29 171.05 1meh s GLN 45 N -5.08 1.96 0.48 2.91 -1.52 -1.26 -4.88 119.66 112.26 1meh s GLN 45 Ca 0.65 -1.24 -0.22 0.00 -1.95 0.00 0.00 55.36 52.59 1meh s GLN 45 Cb -0.06 -2.14 -0.07 0.00 -0.22 0.00 0.00 33.01 30.52 1meh s GLN 45 CO 0.43 0.45 1.18 0.45 -0.25 0.00 0.00 175.29 177.55 1meh s SER 46 N -2.59 6.04 0.52 5.90 0.15 -1.26 -4.90 113.70 117.56 1meh s SER 46 Ca 0.23 2.33 0.29 0.00 0.70 0.00 0.00 55.95 59.50 1meh s SER 46 Cb -0.09 -2.60 1.38 0.00 -1.71 0.00 0.00 66.02 63.00 1meh s SER 46 CO 0.13 -1.01 2.02 -0.33 1.20 0.00 0.00 173.24 175.25 1meh h GLU 47 N 1.90 0.00 -4.05 5.44 5.08 -1.85 -3.40 114.58 117.69 1meh h GLU 47 Ca -0.50 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.37 1meh h GLU 47 Cb 1.25 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.13 1meh h GLU 47 CO 0.60 0.11 -0.79 0.42 -1.00 0.00 0.00 179.01 178.35 1meh s ILE 48 N -3.94 0.81 -0.12 3.13 1.01 -1.26 -5.08 121.20 115.75 1meh s ILE 48 Ca -0.01 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.51 1meh s ILE 48 Cb 0.11 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.72 1meh s ILE 48 CO 0.57 0.33 -0.21 0.20 0.00 0.00 0.00 174.94 175.84 1meh s ASN 49 N 1.80 2.90 0.53 3.58 0.01 -1.26 -0.87 114.94 121.63 1meh s ASN 49 Ca 0.05 -0.54 -0.17 0.00 -0.71 0.00 0.00 52.86 51.49 1meh s ASN 49 Cb -0.12 -1.33 -0.07 0.00 0.41 0.00 0.00 41.25 40.14 1meh s ASN 49 CO -0.07 0.09 1.02 -0.76 -1.51 0.00 0.00 177.10 175.86 1meh s LEU 50 N 0.72 3.64 0.17 0.60 1.43 0.61 -4.85 118.68 121.00 1meh s LEU 50 Ca -0.10 1.74 0.21 0.00 -1.03 0.00 0.00 54.13 54.95 1meh s LEU 50 Cb -0.16 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.50 1meh s LEU 50 CO 0.01 -0.84 0.99 0.29 0.23 0.00 0.00 176.35 177.04 1meh n LYS 51 N -1.58 0.61 -4.10 1.70 5.02 0.27 -1.73 118.16 118.35 1meh n LYS 51 Ca 0.08 0.15 -0.14 0.00 -2.02 0.00 0.00 58.31 56.37 1meh n LYS 51 Cb 0.53 -1.82 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 1meh n LYS 51 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1meh s ILE 52 N -3.27 0.44 0.00 -0.18 -4.36 -1.04 -3.47 121.20 109.33 1meh s ILE 52 Ca -0.01 -0.58 0.00 0.00 -0.26 0.00 0.00 60.65 59.80 1meh s ILE 52 Cb 0.09 -0.44 0.00 0.00 1.25 0.00 0.00 42.46 43.36 1meh s ILE 52 CO 0.80 -0.11 0.95 -0.81 0.24 0.00 0.00 174.94 176.00 1meh n PRO 53 N 2.31 0.83 -5.13 0.37 -0.04 -1.24 -4.46 135.00 127.63 1meh n PRO 53 Ca -0.17 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.97 1meh n PRO 53 Cb 0.57 -1.09 -0.16 0.00 -0.04 0.00 0.00 33.50 32.78 1meh n PRO 53 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1meh s LEU 54 N 0.00 2.23 0.02 1.53 1.43 -1.26 -0.29 118.68 122.34 1meh s LEU 54 Ca 0.00 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 1meh s LEU 54 Cb 0.00 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 1meh s LEU 54 CO 0.00 0.19 -0.13 0.68 0.23 0.00 0.00 176.35 177.32 1meh s VAL 55 N 0.16 1.01 0.19 -1.59 -7.23 0.11 -3.19 120.40 109.86 1meh s VAL 55 Ca -0.12 -0.80 -0.19 0.00 -1.81 0.00 0.00 61.98 59.06 1meh s VAL 55 Cb -0.16 -0.89 -0.08 0.00 0.56 0.00 0.00 36.38 35.81 1meh s VAL 55 CO 0.07 0.09 0.68 -0.94 -0.31 0.00 0.00 175.10 174.69 1meh s SER 56 N -0.82 7.03 0.63 4.85 1.04 -1.03 -1.78 113.70 123.63 1meh s SER 56 Ca 0.02 1.35 -0.18 0.00 0.48 0.00 0.00 55.95 57.62 1meh s SER 56 Cb -0.07 -2.39 -0.03 0.00 0.10 0.00 0.00 66.02 63.63 1meh s SER 56 CO 0.01 0.07 1.14 0.00 0.98 0.00 0.00 173.24 175.44 1meh n ALA 57 N 0.86 0.69 -1.73 5.32 0.00 -0.08 -3.41 120.51 122.16 1meh n ALA 57 Ca -0.04 -0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 1meh n ALA 57 Cb 0.51 -2.22 -0.00 0.00 0.00 0.00 0.00 19.45 17.73 1meh n ALA 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1meh n ILE 58 N -1.84 3.70 -4.29 0.00 5.41 -1.26 -3.82 119.36 117.25 1meh n ILE 58 Ca 0.15 -3.10 -0.18 0.00 1.00 0.00 0.00 62.75 60.61 1meh n ILE 58 Cb 0.48 -2.58 -0.13 0.00 -0.71 0.00 0.00 39.64 36.70 1meh n ILE 58 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 1meh s MET 59 N 2.69 0.79 0.33 0.38 -1.94 -1.26 -4.73 119.30 115.56 1meh s MET 59 Ca 0.50 -0.64 0.03 0.00 -1.71 0.00 0.00 55.69 53.88 1meh s MET 59 Cb 0.14 -0.75 0.64 0.00 2.01 0.00 0.00 34.83 36.87 1meh s MET 59 CO -0.08 0.18 1.92 1.96 -0.01 0.00 0.00 175.02 179.00 1meh h GLN 60 N 5.11 0.87 -0.45 2.03 4.20 -1.90 -1.30 115.11 123.68 1meh h GLN 60 Ca -0.36 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.30 1meh h GLN 60 Cb 1.18 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1meh h GLN 60 CO 0.45 0.57 0.00 -1.13 -0.67 0.00 0.00 178.83 178.05 1meh n SER 61 N -4.50 1.84 0.11 1.46 3.41 -1.26 -4.56 113.62 110.12 1meh n SER 61 Ca 0.13 -2.11 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 1meh n SER 61 Cb 0.25 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1meh n SER 61 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1meh n VAL 62 N 0.27 0.25 -3.22 -3.33 0.31 -0.57 -4.54 118.33 107.50 1meh n VAL 62 Ca 0.09 0.08 -0.45 0.00 -0.01 0.00 0.00 64.34 64.06 1meh n VAL 62 Cb 0.34 -0.69 -0.00 0.00 -0.91 0.00 0.00 33.84 32.58 1meh n VAL 62 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1meh s SER 63 N -5.10 7.18 0.35 4.52 0.01 -0.72 -4.31 113.70 115.63 1meh s SER 63 Ca 0.00 -3.30 0.04 0.00 1.31 0.00 0.00 55.95 54.00 1meh s SER 63 Cb 0.00 -2.27 0.04 0.00 0.21 0.00 0.00 66.02 64.01 1meh s SER 63 CO 0.00 -0.46 0.37 0.61 0.41 0.00 0.00 173.24 174.17 1meh n GLY 64 N 3.29 2.41 0.15 3.44 0.00 -1.26 -3.01 105.19 110.21 1meh n GLY 64 Ca 0.26 -2.22 -0.06 0.00 0.00 0.00 0.00 46.02 44.01 1meh n GLY 64 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1meh h GLU 65 N 0.00 0.09 -0.82 1.61 9.09 -1.93 -2.04 114.58 120.58 1meh h GLU 65 Ca -0.19 -0.01 -0.03 0.00 0.05 0.00 0.00 59.36 59.19 1meh h GLU 65 Cb 0.77 -0.02 -0.04 0.00 -1.65 0.00 0.00 28.75 27.82 1meh h GLU 65 CO 0.29 0.06 0.41 1.57 0.05 0.00 0.00 179.01 181.39 1meh h LYS 66 N 0.10 1.17 -0.29 1.06 -0.00 -1.96 -1.93 116.57 114.72 1meh h LYS 66 Ca 0.17 -0.16 -0.02 0.00 -0.00 0.00 0.00 60.65 60.64 1meh h LYS 66 Cb 0.23 -0.22 -0.01 0.00 -0.00 0.00 0.00 32.23 32.23 1meh h LYS 66 CO -0.28 0.89 0.11 1.98 -0.00 0.00 0.00 179.45 182.15 1meh h MET 67 N 1.17 0.43 -0.98 0.07 -1.53 -1.44 -1.40 114.93 111.25 1meh h MET 67 Ca 0.29 -0.08 0.06 0.00 -3.44 0.00 0.00 59.70 56.53 1meh h MET 67 Cb 0.09 -0.07 -0.07 0.00 -0.55 0.00 0.00 31.60 31.01 1meh h MET 67 CO -0.04 0.46 0.63 0.00 0.14 0.00 0.00 176.91 178.10 1meh h ALA 68 N 0.95 1.35 -0.12 0.39 0.00 -1.04 0.58 119.26 121.37 1meh h ALA 68 Ca 0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1meh h ALA 68 Cb 0.19 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1meh h ALA 68 CO -0.01 0.42 -0.19 0.82 0.00 0.00 0.00 179.25 180.30 1meh h ILE 69 N 1.15 1.37 -0.67 0.00 2.04 -1.17 -2.16 117.51 118.08 1meh h ILE 69 Ca 0.42 -1.43 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 1meh h ILE 69 Cb 0.15 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1meh h ILE 69 CO -0.17 0.42 0.30 0.00 0.00 0.00 0.00 178.15 178.69 1meh h ALA 70 N 0.55 0.86 -0.21 1.87 0.00 -0.83 -1.61 119.26 119.90 1meh h ALA 70 Ca 0.01 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1meh h ALA 70 Cb 0.76 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1meh h ALA 70 CO 0.04 0.45 -0.40 1.25 0.00 0.00 0.00 179.25 180.60 1meh h LEU 71 N 0.93 0.72 -1.45 0.00 5.85 -0.96 -3.00 115.31 117.40 1meh h LEU 71 Ca 0.23 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1meh h LEU 71 Cb 0.16 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1meh h LEU 71 CO -0.02 1.12 0.34 0.00 -0.34 0.00 0.00 178.44 179.54 1meh h ALA 72 N 0.61 1.60 0.00 1.25 0.00 -1.29 -0.80 119.26 120.62 1meh h ALA 72 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1meh h ALA 72 Cb 1.00 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1meh h ALA 72 CO 0.09 0.36 -0.10 0.00 0.00 0.00 0.00 179.25 179.61 1meh h ARG 73 N 0.72 0.00 -0.05 0.00 3.08 -1.15 0.26 114.38 117.24 1meh h ARG 73 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1meh h ARG 73 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1meh h ARG 73 CO -0.04 0.10 0.00 0.39 -1.07 0.00 0.00 179.97 179.35 1meh n GLU 74 N -4.22 1.98 0.00 0.04 -0.58 -0.40 -3.15 120.64 114.30 1meh n GLU 74 Ca -0.03 -1.43 0.00 0.00 -0.42 0.00 0.00 57.16 55.29 1meh n GLU 74 Cb 0.18 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 1meh n GLU 74 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1meh n GLY 75 N 1.26 0.59 0.00 0.62 0.00 -0.52 -4.63 105.19 102.51 1meh n GLY 75 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1meh n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1meh n GLY 76 N -1.41 2.45 3.00 -0.02 0.00 -0.66 -0.57 105.19 107.98 1meh n GLY 76 Ca 0.00 -2.14 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 1meh n GLY 76 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1meh s ILE 77 N 0.70 0.07 0.04 -0.61 2.07 -1.19 -3.36 121.20 118.91 1meh s ILE 77 Ca 0.00 -0.54 0.03 0.00 -1.41 0.00 0.00 60.65 58.74 1meh s ILE 77 Cb 0.00 -0.25 -0.04 0.00 0.13 0.00 0.00 42.46 42.31 1meh s ILE 77 CO 0.00 -0.30 -0.02 -0.44 -1.91 0.00 0.00 174.94 172.28 1meh s SER 78 N -0.92 4.94 -0.52 4.50 0.01 -1.26 -2.46 113.70 117.98 1meh s SER 78 Ca -0.10 -0.12 -0.07 0.00 1.31 0.00 0.00 55.95 56.97 1meh s SER 78 Cb -0.06 -1.21 0.13 0.00 0.21 0.00 0.00 66.02 65.10 1meh s SER 78 CO 0.00 0.24 0.38 -0.36 0.41 0.00 0.00 173.24 173.90 1meh s PHE 79 N -1.15 3.48 0.02 2.43 0.40 -1.22 -0.57 117.98 121.37 1meh s PHE 79 Ca 0.21 -2.15 -0.37 0.00 -0.60 0.00 0.00 56.93 54.02 1meh s PHE 79 Cb -0.11 -3.42 -0.16 0.00 0.51 0.00 0.00 43.02 39.83 1meh s PHE 79 CO 0.13 -0.96 1.44 -0.89 0.70 0.00 0.00 175.22 175.64 1meh n ILE 80 N 4.48 0.07 -1.71 0.64 2.08 -0.21 -4.19 119.36 120.52 1meh n ILE 80 Ca -0.02 -0.01 -0.41 0.00 0.56 0.00 0.00 62.75 62.87 1meh n ILE 80 Cb 0.41 -0.97 0.01 0.00 -0.75 0.00 0.00 39.64 38.34 1meh n ILE 80 CO 0.00 0.00 0.00 2.22 0.56 0.00 0.00 176.55 179.33 1meh n PHE 81 N 3.20 2.24 0.84 1.39 -1.74 -1.16 -1.36 117.46 120.88 1meh n PHE 81 Ca 0.20 0.49 0.11 0.00 -0.56 0.00 0.00 57.45 57.69 1meh n PHE 81 Cb 0.19 -2.39 0.11 0.00 1.52 0.00 0.00 39.48 38.91 1meh n PHE 81 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1meh n GLY 82 N 0.77 0.97 2.40 4.97 0.00 -1.26 -4.61 105.19 108.43 1meh n GLY 82 Ca 0.06 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 1meh n GLY 82 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1meh n SER 83 N 1.29 8.31 -3.46 1.61 3.41 -1.26 -4.77 113.62 118.74 1meh n SER 83 Ca 0.14 -2.90 -0.07 0.00 -0.26 0.00 0.00 58.87 55.79 1meh n SER 83 Cb 0.57 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 1meh n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1meh s GLN 84 N 0.25 1.79 0.66 4.33 -2.07 -1.26 -4.94 119.66 118.42 1meh s GLN 84 Ca 0.61 -1.07 -0.17 0.00 -1.82 0.00 0.00 55.36 52.91 1meh s GLN 84 Cb 0.19 0.55 0.00 0.00 -1.09 0.00 0.00 33.01 32.66 1meh s GLN 84 CO -0.08 -0.83 1.20 -1.54 -1.32 0.00 0.00 175.29 172.72 1meh s SER 85 N -3.03 4.72 0.21 12.60 1.04 -1.26 -4.80 113.70 123.18 1meh s SER 85 Ca 0.14 2.35 -0.09 0.00 0.48 0.00 0.00 55.95 58.83 1meh s SER 85 Cb -0.05 -2.59 0.27 0.00 0.10 0.00 0.00 66.02 63.75 1meh s SER 85 CO 0.08 -1.91 1.79 0.40 0.98 0.00 0.00 173.24 174.58 1meh h ILE 86 N 0.27 0.92 -0.48 -1.02 2.04 -1.98 -0.85 117.51 116.41 1meh h ILE 86 Ca -0.49 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 1meh h ILE 86 Cb 1.29 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1meh h ILE 86 CO 0.53 0.12 0.23 -0.33 0.00 0.00 0.00 178.15 178.70 1meh h GLU 87 N 0.64 0.68 -0.28 2.37 3.07 -1.99 -0.89 114.58 118.18 1meh h GLU 87 Ca 0.31 -0.10 -0.02 0.00 -0.50 0.00 0.00 59.36 59.05 1meh h GLU 87 Cb 0.25 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1meh h GLU 87 CO -0.21 0.57 0.10 1.03 -1.40 0.00 0.00 179.01 179.10 1meh h SER 88 N 0.63 0.39 -0.49 1.42 0.87 -1.77 -1.99 113.55 112.62 1meh h SER 88 Ca 0.16 -0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 1meh h SER 88 Cb 0.11 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1meh h SER 88 CO -0.02 0.47 -0.02 -0.61 -0.53 0.00 0.00 176.83 176.12 1meh h GLN 89 N 0.29 0.87 -0.47 2.24 4.15 -1.09 -2.76 115.11 118.34 1meh h GLN 89 Ca 0.09 -0.29 -0.02 0.00 0.77 0.00 0.00 58.65 59.20 1meh h GLN 89 Cb 0.21 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 1meh h GLN 89 CO -0.01 0.92 0.21 0.00 -1.93 0.00 0.00 178.83 178.02 1meh h ALA 90 N 0.92 1.48 -0.64 3.38 0.00 -1.10 -2.03 119.26 121.26 1meh h ALA 90 Ca 0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1meh h ALA 90 Cb 0.54 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1meh h ALA 90 CO 0.03 0.41 0.25 0.00 0.00 0.00 0.00 179.25 179.93 1meh h ALA 91 N 1.57 0.83 -0.53 0.00 0.00 -1.09 -0.41 119.26 119.64 1meh h ALA 91 Ca 0.17 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1meh h ALA 91 Cb 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1meh h ALA 91 CO -0.02 0.46 0.11 0.52 0.00 0.00 0.00 179.25 180.32 1meh h MET 92 N 0.90 0.86 0.07 0.00 2.07 -1.16 0.14 114.93 117.82 1meh h MET 92 Ca 0.21 -0.22 -0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1meh h MET 92 Cb 0.22 -0.11 0.00 0.00 -1.87 0.00 0.00 31.60 29.84 1meh h MET 92 CO -0.02 0.82 -0.04 0.28 1.07 0.00 0.00 176.91 179.03 1meh h VAL 93 N 0.75 0.93 -0.74 -2.22 2.07 -1.09 -1.75 116.25 114.19 1meh h VAL 93 Ca 0.16 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.70 1meh h VAL 93 Cb 0.36 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1meh h VAL 93 CO 0.01 0.01 0.46 -0.74 0.02 0.00 0.00 177.57 177.32 1meh h HIS 94 N -0.11 0.86 -0.86 1.57 2.76 -0.94 -1.06 115.15 117.37 1meh h HIS 94 Ca -0.01 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.21 1meh h HIS 94 Cb 0.08 -0.28 -0.05 0.00 1.55 0.00 0.00 27.41 28.72 1meh h HIS 94 CO -0.07 0.47 0.57 0.00 -1.30 0.00 0.00 177.93 177.60 1meh h ALA 95 N 1.33 1.45 -0.09 5.26 0.00 -0.61 -0.56 119.26 126.04 1meh h ALA 95 Ca 0.31 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1meh h ALA 95 Cb 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1meh h ALA 95 CO -0.13 0.48 -0.19 0.28 0.00 0.00 0.00 179.25 179.69 1meh h VAL 96 N 1.09 1.40 -0.04 0.00 2.07 -0.56 -2.46 116.25 117.76 1meh h VAL 96 Ca 0.34 -1.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 1meh h VAL 96 Cb -0.01 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1meh h VAL 96 CO -0.09 0.43 -0.12 0.11 0.02 0.00 0.00 177.57 177.91 1meh h LYS 97 N -0.17 0.05 -0.36 1.57 1.79 -0.91 -2.97 116.57 115.57 1meh h LYS 97 Ca 0.00 -0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.30 1meh h LYS 97 Cb 0.78 -0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 31.32 1meh h LYS 97 CO 0.04 0.18 -0.04 0.09 -1.08 0.00 0.00 179.45 178.64 1meh n ASN 98 N -4.37 2.75 -0.01 0.86 4.13 -0.25 -4.67 115.26 113.71 1meh n ASN 98 Ca -0.02 -3.64 -0.05 0.00 1.68 0.00 0.00 54.58 52.55 1meh n ASN 98 Cb 0.21 -0.63 0.16 0.00 -1.54 0.00 0.00 39.78 37.99 1meh n ASN 98 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1meh h PHE 99 N 1.12 0.62 0.00 3.10 3.57 -1.26 -3.03 116.94 121.05 1meh h PHE 99 Ca 0.20 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1meh h PHE 99 Cb 1.67 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.26 1meh h PHE 99 CO 0.96 0.77 0.00 1.63 -2.23 0.00 0.00 178.31 179.44 1meh n LYS 100 N -4.10 0.30 -1.81 1.11 5.02 -1.26 -4.88 118.16 112.54 1meh n LYS 100 Ca -0.01 0.04 -0.38 0.00 -2.02 0.00 0.00 58.31 55.94 1meh n LYS 100 Cb 0.43 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.98 1meh n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1meh s ALA 101 N -2.66 2.76 0.00 7.82 0.00 -1.15 -5.01 121.76 123.53 1meh s ALA 101 Ca 0.23 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1meh s ALA 101 Cb 0.18 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1meh s ALA 101 CO 0.42 -1.36 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1meh n GLY 102 N 0.72 0.16 3.65 0.00 0.00 -1.26 -4.91 105.19 103.55 1meh n GLY 102 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1meh n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1meh s PHE 103 N 0.10 3.13 -0.06 1.61 0.40 -1.26 -5.02 117.98 116.88 1meh s PHE 103 Ca 0.00 1.23 0.03 0.00 -0.60 0.00 0.00 56.93 57.59 1meh s PHE 103 Cb 0.00 -3.56 -0.03 0.00 0.51 0.00 0.00 43.02 39.95 1meh s PHE 103 CO 0.00 -0.89 -0.14 0.08 0.70 0.00 0.00 175.22 174.97 1meh s VAL 104 N 3.56 3.08 -0.29 -0.44 1.01 -1.26 -5.08 120.40 120.98 1meh s VAL 104 Ca 0.47 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 1meh s VAL 104 Cb -0.15 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1meh s VAL 104 CO 0.13 0.59 1.30 -0.69 0.00 0.00 0.00 175.10 176.42 1meh s VAL 105 N -0.64 4.16 -0.83 2.92 1.01 -1.26 -5.28 120.40 120.47 1meh s VAL 105 Ca 0.10 1.31 -0.28 0.00 0.00 0.00 0.00 61.98 63.11 1meh s VAL 105 Cb -0.11 -4.15 -0.26 0.00 0.00 0.00 0.00 36.38 31.86 1meh s VAL 105 CO 0.01 -0.45 1.98 -0.24 0.00 0.00 0.00 175.10 176.40 1meh n SER 106 N 7.54 1.37 -0.19 3.32 2.88 -1.26 -5.30 113.62 121.98 1meh n SER 106 Ca 0.15 -2.51 -0.08 0.00 -1.33 0.00 0.00 58.87 55.10 1meh n SER 106 Cb 0.46 -1.44 0.06 0.00 -0.75 0.00 0.00 64.21 62.54 1meh n SER 106 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1meh h HIS 222 N 11.11 1.10 -0.39 0.66 3.86 -2.01 -3.58 115.15 125.89 1meh h HIS 222 Ca 0.08 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 1meh h HIS 222 Cb 0.92 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 1meh h HIS 222 CO 1.02 0.98 0.01 0.09 0.86 0.00 0.00 177.93 180.89 1meh n ASN 223 N -4.18 4.55 -4.78 2.45 3.02 -1.26 -5.01 115.26 110.05 1meh n ASN 223 Ca 0.03 -3.02 -0.41 0.00 -0.03 0.00 0.00 54.58 51.15 1meh n ASN 223 Cb 0.34 -0.61 -0.01 0.00 -0.61 0.00 0.00 39.78 38.90 1meh n ASN 223 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1meh s GLU 224 N -2.83 4.17 -0.43 3.52 -1.05 -1.19 -1.43 118.70 119.45 1meh s GLU 224 Ca 0.47 2.49 -0.16 0.00 -0.15 0.00 0.00 54.97 57.62 1meh s GLU 224 Cb 0.38 -2.99 0.03 0.00 -0.44 0.00 0.00 34.13 31.10 1meh s GLU 224 CO 0.11 -0.46 0.37 -1.17 0.95 0.00 0.00 175.26 175.07 1meh s LEU 225 N -1.96 5.10 0.24 1.83 2.96 0.82 -4.80 118.68 122.87 1meh s LEU 225 Ca 0.52 -0.89 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1meh s LEU 225 Cb -0.45 -2.25 -0.05 0.00 0.50 0.00 0.00 46.19 43.94 1meh s LEU 225 CO 0.60 -0.54 0.07 0.68 -1.32 0.00 0.00 176.35 175.84 1meh s VAL 226 N 1.87 0.63 0.33 1.68 -7.23 -1.26 -1.60 120.40 114.82 1meh s VAL 226 Ca 0.08 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.24 1meh s VAL 226 Cb -0.19 -2.54 0.07 0.00 0.56 0.00 0.00 36.38 34.28 1meh s VAL 226 CO 0.11 -0.10 0.46 -0.90 -0.31 0.00 0.00 175.10 174.35 1meh n ASP 227 N -0.43 0.58 0.33 4.85 5.68 0.13 -4.83 116.55 122.85 1meh n ASP 227 Ca -0.01 -1.50 0.21 0.00 -0.50 0.00 0.00 54.79 52.98 1meh n ASP 227 Cb 0.66 -0.30 1.11 0.00 -1.14 0.00 0.00 41.12 41.45 1meh n ASP 227 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1meh h SER 228 N -0.29 0.00 -0.60 -1.12 4.64 -2.02 -0.21 113.55 113.95 1meh h SER 228 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1meh h SER 228 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1meh h SER 228 CO 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.12 1meh n GLN 229 N -3.20 3.56 -1.39 4.77 6.02 -1.26 -4.92 117.38 120.96 1meh n GLN 229 Ca -0.03 -2.64 -0.13 0.00 -0.01 0.00 0.00 57.00 54.19 1meh n GLN 229 Cb 0.13 -1.86 -0.06 0.00 1.02 0.00 0.00 30.24 29.47 1meh n GLN 229 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1meh n LYS 230 N 1.02 -1.12 -3.44 -1.09 4.76 -0.09 -4.99 118.16 113.21 1meh n LYS 230 Ca 0.24 0.95 -0.38 0.00 -2.87 0.00 0.00 58.31 56.25 1meh n LYS 230 Cb 0.84 -5.09 -0.06 0.00 -1.84 0.00 0.00 35.03 28.88 1meh n LYS 230 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1meh s ARG 231 N -3.05 4.05 0.37 1.97 0.52 -1.26 -4.78 118.95 116.76 1meh s ARG 231 Ca 0.00 0.45 -0.27 0.00 -0.52 0.00 0.00 55.73 55.39 1meh s ARG 231 Cb 0.00 -3.27 -0.11 0.00 0.52 0.00 0.00 34.95 32.09 1meh s ARG 231 CO 0.00 0.57 1.26 0.66 0.02 0.00 0.00 175.30 177.81 1meh n TYR 232 N 2.21 2.15 -2.81 -0.53 4.01 -1.26 -0.70 117.16 120.23 1meh n TYR 232 Ca -0.12 0.54 -0.33 0.00 -0.16 0.00 0.00 57.90 57.83 1meh n TYR 232 Cb 0.52 -2.39 -0.06 0.00 -0.31 0.00 0.00 39.34 37.10 1meh n TYR 232 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1meh s LEU 233 N -1.15 3.91 -0.10 7.72 1.43 -0.63 -4.54 118.68 125.32 1meh s LEU 233 Ca 0.57 1.61 -0.18 0.00 -1.03 0.00 0.00 54.13 55.10 1meh s LEU 233 Cb -0.55 -4.46 0.04 0.00 0.03 0.00 0.00 46.19 41.25 1meh s LEU 233 CO 0.61 -0.37 0.45 0.54 0.23 0.00 0.00 176.35 177.80 1meh s VAL 234 N -2.22 0.02 0.45 -1.59 0.11 -1.26 -4.68 120.40 111.22 1meh s VAL 234 Ca 0.60 -0.17 0.06 0.00 -2.93 0.00 0.00 61.98 59.55 1meh s VAL 234 Cb -0.09 -0.70 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 1meh s VAL 234 CO 0.16 -0.09 0.22 -0.83 -3.33 0.00 0.00 175.10 171.23 1meh s GLY 235 N -0.56 2.40 -0.12 6.54 0.00 0.26 -1.14 107.32 114.71 1meh s GLY 235 Ca -0.07 -1.78 -0.09 0.00 0.00 0.00 0.00 44.72 42.78 1meh s GLY 235 CO 0.04 -1.93 0.31 0.00 0.00 0.00 0.00 173.10 171.52 1meh s ALA 236 N -2.65 -0.77 0.31 3.20 0.00 -0.60 -1.04 121.76 120.19 1meh s ALA 236 Ca 0.37 1.01 -0.20 0.00 0.00 0.00 0.00 51.96 53.14 1meh s ALA 236 Cb 0.02 -0.60 -0.09 0.00 0.00 0.00 0.00 23.12 22.45 1meh s ALA 236 CO 0.21 -0.18 0.81 0.20 0.00 0.00 0.00 175.76 176.80 1meh s GLY 237 N 0.58 2.52 0.24 0.00 0.00 -0.46 -1.96 107.32 108.24 1meh s GLY 237 Ca -0.03 0.23 0.02 0.00 0.00 0.00 0.00 44.72 44.94 1meh s GLY 237 CO -0.03 0.55 0.05 -0.26 0.00 0.00 0.00 173.10 173.40 1meh s ILE 238 N -1.79 0.77 0.33 0.90 -4.36 -0.35 -4.07 121.20 112.62 1meh s ILE 238 Ca 0.51 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.97 1meh s ILE 238 Cb -0.14 -2.47 -0.06 0.00 1.25 0.00 0.00 42.46 41.04 1meh s ILE 238 CO 0.19 -0.18 -0.07 0.54 0.24 0.00 0.00 174.94 175.66 1meh s ASN 239 N -3.30 3.37 0.00 4.36 2.20 -1.26 -1.33 114.94 118.98 1meh s ASN 239 Ca 0.32 -1.22 0.09 0.00 -0.94 0.00 0.00 52.86 51.12 1meh s ASN 239 Cb 0.07 -0.28 0.56 0.00 -2.00 0.00 0.00 41.25 39.59 1meh s ASN 239 CO 0.11 -0.29 1.30 0.35 -2.94 0.00 0.00 177.10 175.62 1meh n THR 240 N -0.74 0.00 -0.06 0.54 -2.24 -1.26 -3.92 114.28 106.60 1meh n THR 240 Ca -0.05 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.66 1meh n THR 240 Cb 0.64 -0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 1meh n THR 240 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1meh n ARG 241 N -0.66 0.40 -1.04 -0.78 0.63 -1.26 -4.76 116.66 109.19 1meh n ARG 241 Ca 0.07 0.16 -0.06 0.00 -0.92 0.00 0.00 57.85 57.10 1meh n ARG 241 Cb 0.03 -1.19 0.31 0.00 0.45 0.00 0.00 32.46 32.06 1meh n ARG 241 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1meh n ASP 242 N -4.11 4.85 -0.02 6.15 5.68 -1.26 -4.65 116.55 123.18 1meh n ASP 242 Ca -0.10 -3.23 0.09 0.00 -0.50 0.00 0.00 54.79 51.04 1meh n ASP 242 Cb 0.39 -0.75 0.49 0.00 -1.14 0.00 0.00 41.12 40.11 1meh n ASP 242 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 1meh h PHE 243 N 2.67 0.42 -0.17 2.11 -5.15 -1.86 0.30 116.94 115.25 1meh h PHE 243 Ca 0.27 0.01 0.05 0.00 -0.20 0.00 0.00 57.97 58.10 1meh h PHE 243 Cb 2.36 -0.14 -0.01 0.00 0.22 0.00 0.00 35.95 38.38 1meh h PHE 243 CO 1.31 0.23 0.16 0.00 -2.00 0.00 0.00 178.31 178.00 1meh h ARG 244 N 0.42 0.00 0.00 6.09 3.08 -1.93 -0.22 114.38 121.81 1meh h ARG 244 Ca 0.21 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.96 1meh h ARG 244 Cb 0.30 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 1meh h ARG 244 CO -0.05 0.00 -2.12 0.39 -1.07 0.00 0.00 179.97 177.12 1meh n GLU 245 N -4.09 0.67 -0.12 0.04 4.71 -0.77 -4.51 120.64 116.57 1meh n GLU 245 Ca 0.01 0.09 -0.12 0.00 -0.01 0.00 0.00 57.16 57.14 1meh n GLU 245 Cb 0.28 -1.40 -0.03 0.00 -1.01 0.00 0.00 31.44 29.29 1meh n GLU 245 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1meh h ARG 246 N 0.00 0.71 0.23 3.49 2.43 -0.79 -3.17 114.38 117.28 1meh h ARG 246 Ca -0.44 -0.31 -0.00 0.00 -0.81 0.00 0.00 59.98 58.42 1meh h ARG 246 Cb 1.73 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.25 1meh h ARG 246 CO -0.05 0.91 -0.17 0.28 -1.51 0.00 0.00 179.97 179.43 1meh h VAL 247 N 0.49 0.64 -0.95 0.20 2.07 -1.27 -1.22 116.25 116.22 1meh h VAL 247 Ca 0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.69 1meh h VAL 247 Cb 0.69 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 1meh h VAL 247 CO 0.05 0.00 0.61 -0.65 0.02 0.00 0.00 177.57 177.60 1meh h PRO 248 N -0.40 0.97 -0.59 1.57 0.11 -1.76 0.76 132.00 132.66 1meh h PRO 248 Ca -0.01 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 1meh h PRO 248 Cb 0.35 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 1meh h PRO 248 CO -0.00 0.64 0.18 0.00 -0.21 0.00 0.00 178.00 178.61 1meh h ALA 249 N 1.52 0.78 -0.26 -0.75 0.00 -1.46 -0.37 119.26 118.72 1meh h ALA 249 Ca 0.43 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 1meh h ALA 249 Cb 0.34 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1meh h ALA 249 CO -0.19 0.45 -0.44 -0.07 0.00 0.00 0.00 179.25 179.00 1meh h LEU 250 N 0.84 0.71 -0.32 0.00 3.38 -0.34 -1.26 115.31 118.32 1meh h LEU 250 Ca 0.19 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1meh h LEU 250 Cb 0.30 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1meh h LEU 250 CO -0.00 1.05 0.11 0.58 0.09 0.00 0.00 178.44 180.27 1meh h VAL 251 N 0.53 1.19 -0.81 1.22 2.07 -0.65 -1.44 116.25 118.36 1meh h VAL 251 Ca 0.04 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1meh h VAL 251 Cb 0.98 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1meh h VAL 251 CO 0.09 0.21 0.46 -0.08 0.02 0.00 0.00 177.57 178.27 1meh h GLU 252 N 0.36 1.13 0.00 1.57 4.81 -0.95 -1.76 114.58 119.74 1meh h GLU 252 Ca 0.10 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1meh h GLU 252 Cb 0.21 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1meh h GLU 252 CO -0.01 0.82 0.00 0.00 -0.73 0.00 0.00 179.01 179.10 1meh h ALA 253 N 1.24 1.00 0.00 2.92 0.00 -0.93 -3.46 119.26 120.03 1meh h ALA 253 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1meh h ALA 253 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1meh h ALA 253 CO -0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.61 1meh n GLY 254 N -0.58 1.12 3.68 0.00 0.00 -0.66 -3.85 105.19 104.89 1meh n GLY 254 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1meh n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1meh n ALA 255 N -1.67 1.29 0.08 4.61 0.00 -0.58 -4.87 120.51 119.36 1meh n ALA 255 Ca 0.00 0.40 0.02 0.00 0.00 0.00 0.00 53.44 53.86 1meh n ALA 255 Cb 0.00 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.12 1meh n ALA 255 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1meh h ASP 256 N 4.13 0.00 -4.99 0.00 3.32 -1.48 -3.46 116.42 113.94 1meh h ASP 256 Ca -0.45 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 1meh h ASP 256 Cb 1.27 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.63 1meh h ASP 256 CO 0.75 0.51 0.15 0.54 -1.72 0.00 0.00 179.24 179.47 1meh s VAL 257 N -2.97 0.01 0.34 -1.35 0.11 -1.22 -4.60 120.40 110.71 1meh s VAL 257 Ca -0.00 -0.04 0.10 0.00 -2.93 0.00 0.00 61.98 59.10 1meh s VAL 257 Cb 0.08 -0.97 -0.06 0.00 -1.53 0.00 0.00 36.38 33.91 1meh s VAL 257 CO 0.79 -0.02 -0.08 -0.76 -3.33 0.00 0.00 175.10 171.69 1meh s LEU 258 N -1.19 2.78 -0.22 2.54 1.43 0.09 -1.56 118.68 122.55 1meh s LEU 258 Ca -0.11 -1.15 -0.10 0.00 -1.03 0.00 0.00 54.13 51.74 1meh s LEU 258 Cb -0.00 -1.08 0.08 0.00 0.03 0.00 0.00 46.19 45.22 1meh s LEU 258 CO 0.09 -0.20 0.49 0.00 0.23 0.00 0.00 176.35 176.97 1meh s ILE 260 N 2.06 3.99 -0.33 0.00 1.01 -0.32 -1.21 121.20 126.40 1meh s ILE 260 Ca -0.06 1.33 -0.14 0.00 0.00 0.00 0.00 60.65 61.77 1meh s ILE 260 Cb -0.10 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 1meh s ILE 260 CO -0.15 -0.02 0.32 -0.62 0.00 0.00 0.00 174.94 174.48 1meh s ASP 261 N 1.77 6.15 -0.13 3.58 2.15 -0.44 -3.85 116.67 125.89 1meh s ASP 261 Ca 0.60 -0.18 -0.29 0.00 0.43 0.00 0.00 52.55 53.11 1meh s ASP 261 Cb -0.28 -2.18 0.08 0.00 -0.30 0.00 0.00 42.92 40.25 1meh s ASP 261 CO 0.23 -0.27 0.75 -0.55 -0.17 0.00 0.00 175.17 175.17 1meh s SER 262 N 1.72 -0.63 0.25 -0.34 0.15 -1.22 -4.82 113.70 108.81 1meh s SER 262 Ca 0.10 0.87 0.25 0.00 0.70 0.00 0.00 55.95 57.88 1meh s SER 262 Cb -0.17 0.77 0.90 0.00 -1.71 0.00 0.00 66.02 65.81 1meh s SER 262 CO 0.11 -0.46 1.75 0.77 1.20 0.00 0.00 173.24 176.61 1meh h SER 263 N 3.52 0.00 -2.01 5.45 4.64 -1.90 -0.83 113.55 122.42 1meh h SER 263 Ca -0.27 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.69 1meh h SER 263 Cb 1.15 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.92 1meh h SER 263 CO 0.28 0.00 -0.68 -0.62 -0.87 0.00 0.00 176.83 174.93 1meh s ASP 264 N -4.49 1.34 0.00 4.97 2.15 -1.26 -4.64 116.67 114.74 1meh s ASP 264 Ca 0.07 -1.44 0.28 0.00 0.43 0.00 0.00 52.55 51.89 1meh s ASP 264 Cb 0.11 0.51 1.41 0.00 -0.30 0.00 0.00 42.92 44.64 1meh s ASP 264 CO 0.50 -0.29 1.96 0.61 -0.17 0.00 0.00 175.17 177.78 1meh n GLY 265 N 4.45 -1.20 3.17 2.66 0.00 0.72 -4.33 105.19 110.65 1meh n GLY 265 Ca 0.09 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1meh n GLY 265 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1meh n PHE 266 N -1.28 4.09 -3.81 1.61 -0.00 -1.26 -4.76 117.46 112.05 1meh n PHE 266 Ca 0.13 -2.94 -0.12 0.00 -0.00 0.00 0.00 57.45 54.52 1meh n PHE 266 Cb 0.22 -2.49 -0.11 0.00 -0.00 0.00 0.00 39.48 37.09 1meh n PHE 266 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1meh s SER 267 N 3.35 -0.18 0.54 -2.13 0.15 -1.26 -5.02 113.70 109.15 1meh s SER 267 Ca 0.49 0.29 0.25 0.00 0.70 0.00 0.00 55.95 57.68 1meh s SER 267 Cb 0.08 0.39 1.53 0.00 -1.71 0.00 0.00 66.02 66.31 1meh s SER 267 CO -0.00 -0.16 2.15 -0.33 1.20 0.00 0.00 173.24 176.11 1meh h GLU 268 N 5.38 0.00 -0.44 5.44 5.08 -1.97 -1.59 114.58 126.48 1meh h GLU 268 Ca -0.27 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1meh h GLU 268 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1meh h GLU 268 CO 0.38 0.06 0.15 -1.49 -1.00 0.00 0.00 179.01 177.11 1meh h TRP 269 N 0.00 0.65 -0.25 4.33 4.06 -1.95 -0.34 115.95 122.44 1meh h TRP 269 Ca -0.00 -0.03 -0.20 0.00 2.06 0.00 0.00 58.89 60.72 1meh h TRP 269 Cb 0.14 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.10 1meh h TRP 269 CO 0.00 0.53 -0.61 1.96 -3.56 0.00 0.00 178.44 176.76 1meh h GLN 270 N 0.64 0.85 -0.66 0.49 4.20 -1.60 -1.70 115.11 117.33 1meh h GLN 270 Ca 0.15 -0.58 -0.00 0.00 0.06 0.00 0.00 58.65 58.28 1meh h GLN 270 Cb 0.17 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1meh h GLN 270 CO -0.01 1.21 0.40 -0.22 -0.67 0.00 0.00 178.83 179.53 1meh h LYS 271 N 0.63 0.90 -0.52 1.46 3.64 -1.30 -0.68 116.57 120.71 1meh h LYS 271 Ca -0.00 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1meh h LYS 271 Cb 1.23 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1meh h LYS 271 CO 0.13 0.65 0.25 0.82 -2.27 0.00 0.00 179.45 179.03 1meh h ILE 272 N 0.90 1.19 -0.23 2.00 2.04 -0.98 0.43 117.51 122.86 1meh h ILE 272 Ca 0.24 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1meh h ILE 272 Cb -0.02 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1meh h ILE 272 CO -0.04 0.22 0.10 0.74 0.00 0.00 0.00 178.15 179.16 1meh h THR 273 N 0.69 1.16 -0.76 -0.27 2.02 -0.94 -1.05 112.91 113.76 1meh h THR 273 Ca 0.18 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 1meh h THR 273 Cb 0.11 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1meh h THR 273 CO -0.02 0.16 0.25 0.40 0.37 0.00 0.00 175.52 176.68 1meh h ILE 274 N 0.23 1.26 -0.50 3.11 2.04 -0.99 -2.23 117.51 120.43 1meh h ILE 274 Ca 0.08 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.07 1meh h ILE 274 Cb 0.15 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1meh h ILE 274 CO -0.01 0.35 0.31 1.23 0.00 0.00 0.00 178.15 180.04 1meh h GLY 275 N 1.13 0.71 1.01 5.37 0.00 -0.60 -0.58 103.07 110.12 1meh h GLY 275 Ca 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1meh h GLY 275 CO -0.01 0.22 0.42 -0.25 0.00 0.00 0.00 176.54 176.92 1meh h TRP 276 N 0.63 1.07 -0.46 5.60 7.01 -0.96 -0.68 115.95 128.17 1meh h TRP 276 Ca 0.20 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.14 1meh h TRP 276 Cb -0.02 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 26.68 1meh h TRP 276 CO -0.06 0.75 0.16 0.82 -2.79 0.00 0.00 178.44 177.32 1meh h ILE 277 N 1.08 1.22 -0.75 2.65 2.04 -0.91 -1.71 117.51 121.12 1meh h ILE 277 Ca 0.27 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 1meh h ILE 277 Cb 0.04 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1meh h ILE 277 CO -0.04 0.26 0.25 0.03 0.00 0.00 0.00 178.15 178.64 1meh h ARG 278 N 0.60 1.15 -0.31 2.37 2.47 -0.75 0.42 114.38 120.34 1meh h ARG 278 Ca 0.15 -0.24 -0.08 0.00 -1.26 0.00 0.00 59.98 58.55 1meh h ARG 278 Cb 0.24 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 1meh h ARG 278 CO -0.01 0.97 -0.16 1.49 0.56 0.00 0.00 179.97 182.82 1meh h GLU 279 N 1.11 0.54 0.07 0.04 4.81 -0.97 0.41 114.58 120.59 1meh h GLU 279 Ca 0.24 -0.17 -0.33 0.00 -0.13 0.00 0.00 59.36 58.97 1meh h GLU 279 Cb 0.28 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1meh h GLU 279 CO -0.01 0.68 -1.88 1.17 -0.73 0.00 0.00 179.01 178.24 1meh n LYS 280 N -4.17 0.70 0.00 1.92 0.00 -0.66 -4.63 118.16 111.33 1meh n LYS 280 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 58.31 58.59 1meh n LYS 280 Cb 0.35 -1.74 0.00 0.00 0.00 0.00 0.00 35.03 33.64 1meh n LYS 280 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1meh n TYR 281 N -3.28 0.00 -4.82 5.64 4.01 0.15 -5.09 117.16 113.76 1meh n TYR 281 Ca -0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 1meh n TYR 281 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 1meh n TYR 281 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1meh n GLY 282 N 0.38 1.33 1.11 2.72 0.00 0.14 -2.30 105.19 108.57 1meh n GLY 282 Ca 0.00 -0.62 0.05 0.00 0.00 0.00 0.00 46.02 45.45 1meh n GLY 282 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1meh n ASP 283 N -1.07 3.17 0.19 1.61 8.00 -1.26 -4.06 116.55 123.14 1meh n ASP 283 Ca 0.00 -2.34 0.10 0.00 0.71 0.00 0.00 54.79 53.26 1meh n ASP 283 Cb 0.00 -0.49 0.12 0.00 -0.02 0.00 0.00 41.12 40.73 1meh n ASP 283 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1meh h LYS 284 N 2.34 0.00 -5.13 -1.24 6.56 -1.86 -3.42 116.57 113.82 1meh h LYS 284 Ca 0.00 0.00 -0.65 0.00 -1.06 0.00 0.00 60.65 58.94 1meh h LYS 284 Cb 1.06 0.00 -0.24 0.00 -0.57 0.00 0.00 32.23 32.48 1meh h LYS 284 CO 0.18 0.12 -0.69 0.08 -2.06 0.00 0.00 179.45 177.08 1meh s VAL 285 N -3.16 3.70 -0.02 0.50 1.01 -1.26 -5.10 120.40 116.08 1meh s VAL 285 Ca 0.06 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 1meh s VAL 285 Cb 0.06 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1meh s VAL 285 CO 0.70 0.44 0.48 -0.54 0.00 0.00 0.00 175.10 176.18 1meh s LYS 286 N 1.00 4.14 -0.12 2.72 -0.14 -1.26 -4.97 119.74 121.11 1meh s LYS 286 Ca 0.01 0.52 -0.04 0.00 -1.36 0.00 0.00 55.97 55.09 1meh s LYS 286 Cb -0.15 -3.30 0.06 0.00 -1.68 0.00 0.00 37.83 32.76 1meh s LYS 286 CO 0.01 0.49 0.23 0.54 -0.76 0.00 0.00 175.35 175.86 1meh s VAL 287 N -0.48 -0.37 0.61 3.17 0.11 -1.26 -0.73 120.40 121.46 1meh s VAL 287 Ca 0.26 0.30 -0.06 0.00 -2.93 0.00 0.00 61.98 59.55 1meh s VAL 287 Cb -0.17 -0.40 0.02 0.00 -1.53 0.00 0.00 36.38 34.30 1meh s VAL 287 CO 0.14 0.13 0.92 -0.83 -3.33 0.00 0.00 175.10 172.13 1meh s GLY 288 N 2.37 1.63 0.10 6.54 0.00 0.68 -1.26 107.32 117.38 1meh s GLY 288 Ca 0.02 -0.77 -0.06 0.00 0.00 0.00 0.00 44.72 43.91 1meh s GLY 288 CO -0.08 -0.46 0.15 0.00 0.00 0.00 0.00 173.10 172.72 1meh s ALA 289 N -3.04 0.07 0.00 3.20 0.00 -0.42 -1.18 121.76 120.39 1meh s ALA 289 Ca 0.55 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1meh s ALA 289 Cb -0.11 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1meh s ALA 289 CO 0.45 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1meh n GLY 290 N -0.06 -1.72 3.92 0.00 0.00 -1.25 -0.71 105.19 105.37 1meh n GLY 290 Ca -0.13 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 1meh n GLY 290 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1meh s ASN 291 N -1.82 6.36 0.24 1.61 -0.87 -0.32 -3.44 114.94 116.70 1meh s ASN 291 Ca 0.00 0.26 0.03 0.00 -1.57 0.00 0.00 52.86 51.58 1meh s ASN 291 Cb 0.00 -1.95 -0.05 0.00 -0.02 0.00 0.00 41.25 39.23 1meh s ASN 291 CO 0.00 0.14 0.02 0.27 -2.57 0.00 0.00 177.10 174.96 1meh s ILE 292 N -1.57 0.94 0.00 0.60 -5.25 -0.85 -0.20 121.20 114.87 1meh s ILE 292 Ca 0.35 -2.02 0.00 0.00 -0.99 0.00 0.00 60.65 57.99 1meh s ILE 292 Cb -0.13 -2.40 0.00 0.00 2.95 0.00 0.00 42.46 42.89 1meh s ILE 292 CO 0.28 -0.27 0.42 1.33 -1.79 0.00 0.00 174.94 174.91 1meh n VAL 293 N -0.43 0.15 -4.10 8.37 0.24 -1.26 -1.53 118.33 119.77 1meh n VAL 293 Ca -0.04 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.34 61.93 1meh n VAL 293 Cb 0.64 1.24 -0.07 0.00 -1.47 0.00 0.00 33.84 34.18 1meh n VAL 293 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1meh s ASP 294 N -0.15 0.29 0.24 -1.34 -4.77 -1.26 -4.49 116.67 105.18 1meh s ASP 294 Ca 0.00 -1.25 -0.06 0.00 -3.30 0.00 0.00 52.55 47.94 1meh s ASP 294 Cb 0.00 0.53 0.30 0.00 -1.09 0.00 0.00 42.92 42.66 1meh s ASP 294 CO 0.00 -1.06 1.86 1.23 0.70 0.00 0.00 175.17 177.89 1meh h GLY 295 N 2.35 1.25 0.75 2.12 0.00 -1.90 -1.85 103.07 105.78 1meh h GLY 295 Ca -0.30 -0.39 0.04 0.00 0.00 0.00 0.00 47.33 46.69 1meh h GLY 295 CO 0.42 0.29 0.26 0.83 0.00 0.00 0.00 176.54 178.34 1meh h GLU 296 N 0.98 0.49 -0.43 4.80 5.08 -1.97 0.96 114.58 124.49 1meh h GLU 296 Ca 0.36 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.63 1meh h GLU 296 Cb 0.12 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1meh h GLU 296 CO -0.15 0.32 0.06 0.78 -1.00 0.00 0.00 179.01 179.02 1meh h GLY 297 N 0.50 0.78 0.84 -3.84 0.00 -1.90 -1.72 103.07 97.73 1meh h GLY 297 Ca 0.22 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1meh h GLY 297 CO -0.15 0.49 -0.13 -2.75 0.00 0.00 0.00 176.54 174.00 1meh h PHE 298 N 0.57 -0.34 -0.90 5.60 3.57 -0.93 -2.46 116.94 122.05 1meh h PHE 298 Ca 0.13 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.74 1meh h PHE 298 Cb 0.39 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.18 1meh h PHE 298 CO 0.03 -0.20 0.54 -0.09 -2.23 0.00 0.00 178.31 176.35 1meh h ARG 299 N -0.29 0.83 -0.21 1.11 9.65 -0.73 0.10 114.38 124.85 1meh h ARG 299 Ca 0.00 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 1meh h ARG 299 Cb 0.27 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 1meh h ARG 299 CO -0.04 0.55 0.08 -0.92 2.80 0.00 0.00 179.97 182.44 1meh h TYR 300 N 0.86 0.33 0.00 2.20 3.20 -1.06 -1.33 116.97 121.17 1meh h TYR 300 Ca 0.45 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.17 1meh h TYR 300 Cb 0.45 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1meh h TYR 300 CO -0.04 0.39 -0.55 -0.07 -1.64 0.00 0.00 178.16 176.25 1meh h LEU 301 N 0.18 0.00 -0.09 2.82 3.38 -0.98 -1.62 115.31 119.01 1meh h LEU 301 Ca 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1meh h LEU 301 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1meh h LEU 301 CO -0.00 0.55 -0.00 0.00 0.09 0.00 0.00 178.44 179.07 1meh h ALA 302 N 1.45 0.12 0.00 1.53 0.00 -0.63 -1.99 119.26 119.75 1meh h ALA 302 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1meh h ALA 302 Cb 1.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1meh h ALA 302 CO 0.07 -0.18 -0.22 -0.44 0.00 0.00 0.00 179.25 178.48 1meh h ASP 303 N -0.12 0.00 1.11 0.00 3.32 -1.19 -1.70 116.42 117.83 1meh h ASP 303 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1meh h ASP 303 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1meh h ASP 303 CO 0.01 0.22 0.00 0.00 -1.72 0.00 0.00 179.24 177.74 1meh h ALA 304 N 1.78 1.00 0.00 3.45 0.00 -0.95 -3.47 119.26 121.08 1meh h ALA 304 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1meh h ALA 304 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1meh h ALA 304 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1meh n GLY 305 N 0.22 1.05 3.70 0.00 0.00 -0.64 -4.60 105.19 104.92 1meh n GLY 305 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1meh n GLY 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1meh n ALA 306 N -1.03 1.28 0.13 4.61 0.00 -0.79 -4.91 120.51 119.79 1meh n ALA 306 Ca 0.00 0.29 0.04 0.00 0.00 0.00 0.00 53.44 53.78 1meh n ALA 306 Cb 0.00 -2.26 0.02 0.00 0.00 0.00 0.00 19.45 17.22 1meh n ALA 306 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1meh h ASP 307 N 2.22 0.00 -5.00 0.00 3.32 -1.52 -3.46 116.42 111.98 1meh h ASP 307 Ca -0.47 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 1meh h ASP 307 Cb 1.29 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.67 1meh h ASP 307 CO 0.61 0.40 0.15 0.72 -1.72 0.00 0.00 179.24 179.40 1meh s PHE 308 N -3.02 -0.59 -0.10 4.55 -0.12 -1.26 -0.28 117.98 117.16 1meh s PHE 308 Ca 0.03 0.88 0.03 0.00 -0.05 0.00 0.00 56.93 57.82 1meh s PHE 308 Cb 0.08 0.41 0.00 0.00 -0.63 0.00 0.00 43.02 42.88 1meh s PHE 308 CO 0.75 -0.64 -0.21 0.42 -0.05 0.00 0.00 175.22 175.49 1meh s ILE 309 N -1.75 1.81 -0.04 -4.49 1.01 -0.87 -1.30 121.20 115.57 1meh s ILE 309 Ca -0.09 -0.87 -0.19 0.00 0.00 0.00 0.00 60.65 59.51 1meh s ILE 309 Cb -0.00 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 1meh s ILE 309 CO 0.05 0.50 0.53 -0.54 0.00 0.00 0.00 174.94 175.48 1meh s LYS 310 N 0.49 4.27 -0.14 2.79 1.02 0.11 -0.83 119.74 127.45 1meh s LYS 310 Ca -0.16 0.60 -0.03 0.00 0.02 0.00 0.00 55.97 56.40 1meh s LYS 310 Cb -0.17 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.75 1meh s LYS 310 CO 0.06 0.34 -0.04 0.42 -0.92 0.00 0.00 175.35 175.22 1meh s ILE 311 N -0.04 3.92 0.00 2.17 1.01 0.19 -2.00 121.20 126.45 1meh s ILE 311 Ca 0.28 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1meh s ILE 311 Cb -0.17 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.60 1meh s ILE 311 CO 0.14 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.21 1meh n GLY 312 N 3.24 3.52 2.69 6.18 0.00 -0.58 -0.65 105.19 119.59 1meh n GLY 312 Ca -0.18 -0.63 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 1meh n GLY 312 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1meh s ILE 313 N 0.00 -0.06 0.00 -0.61 1.01 -1.26 -4.68 121.20 115.61 1meh s ILE 313 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.03 1meh s ILE 313 Cb 0.00 -0.18 0.00 0.00 0.01 0.00 0.00 42.46 42.29 1meh s ILE 313 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1meh n GLY 314 N 5.20 0.75 0.38 6.18 0.00 -1.26 -3.20 105.19 113.24 1meh n GLY 314 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1meh n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1meh n GLY 315 N -2.42 -0.24 3.76 -0.02 0.00 -1.26 -4.97 105.19 100.03 1meh n GLY 315 Ca 0.00 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 1meh n GLY 315 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1meh s GLY 316 N -2.55 2.63 0.60 -0.02 0.00 -1.26 -2.40 107.32 104.31 1meh s GLY 316 Ca 0.19 0.90 0.30 0.00 0.00 0.00 0.00 44.72 46.11 1meh s GLY 316 CO 0.59 1.27 2.23 1.48 0.00 0.00 0.00 173.10 178.68 1meh h SER 317 N 0.85 0.00 0.00 1.64 4.64 -1.94 -3.35 113.55 115.38 1meh h SER 317 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1meh h SER 317 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1meh h SER 317 CO 0.55 0.00 0.00 -0.38 -0.87 0.00 0.00 176.83 176.13 1meh n ILE 318 N -3.79 0.00 0.00 0.95 -0.00 -1.26 -4.33 119.36 110.93 1meh n ILE 318 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.73 1meh n ILE 318 Cb 0.12 -0.94 0.00 0.00 -0.00 0.00 0.00 39.64 38.82 1meh n ILE 318 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1meh n ILE 320 N 1.94 0.00 -2.77 1.39 5.41 -1.26 -4.27 119.36 119.80 1meh n ILE 320 Ca 0.00 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.43 1meh n ILE 320 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 1meh n ILE 320 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1meh n THR 321 N 0.00 4.11 -3.59 1.39 -2.24 -1.26 -4.98 114.28 107.70 1meh n THR 321 Ca 0.00 -5.64 -0.04 0.00 -2.27 0.00 0.00 64.05 56.09 1meh n THR 321 Cb 0.00 -1.44 -0.02 0.00 -2.10 0.00 0.00 70.33 66.78 1meh n THR 321 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1meh s ARG 322 N -3.80 0.59 0.19 -0.78 6.06 -1.26 -4.72 118.95 115.23 1meh s ARG 322 Ca 0.46 -0.26 -0.08 0.00 -2.50 0.00 0.00 55.73 53.34 1meh s ARG 322 Cb 0.26 0.24 -0.07 0.00 0.06 0.00 0.00 34.95 35.45 1meh s ARG 322 CO -0.15 -0.26 0.49 -2.00 -2.50 0.00 0.00 175.30 170.88 1meh s GLU 323 N -2.74 3.75 0.33 5.12 2.56 -1.26 -5.05 118.70 121.42 1meh s GLU 323 Ca 0.09 0.17 -0.29 0.00 0.00 0.00 0.00 54.97 54.94 1meh s GLU 323 Cb 0.00 -2.73 -0.11 0.00 2.00 0.00 0.00 34.13 33.29 1meh s GLU 323 CO -0.05 0.38 1.50 -0.65 -0.56 0.00 0.00 175.26 175.88 1meh s GLN 324 N -2.70 4.15 0.10 4.30 -1.52 -1.26 -4.90 119.66 117.83 1meh s GLN 324 Ca 0.45 2.51 0.26 0.00 -1.95 0.00 0.00 55.36 56.63 1meh s GLN 324 Cb -0.12 -3.01 0.75 0.00 -0.22 0.00 0.00 33.01 30.42 1meh s GLN 324 CO 0.22 -0.53 1.64 1.17 -0.25 0.00 0.00 175.29 177.55 1meh n LYS 325 N 1.29 0.16 0.00 2.91 4.81 -1.26 -4.93 118.16 121.14 1meh n LYS 325 Ca 0.04 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1meh n LYS 325 Cb 0.39 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.79 1meh n LYS 325 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1meh n GLY 326 N 1.40 2.39 3.57 3.14 0.00 -1.26 -5.07 105.19 109.35 1meh n GLY 326 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1meh n GLY 326 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1meh s ILE 327 N -2.51 3.53 -5.00 -0.61 -4.36 -1.26 -5.08 121.20 105.91 1meh s ILE 327 Ca 0.00 -0.79 0.00 0.00 -0.26 0.00 0.00 60.65 59.60 1meh s ILE 327 Cb 0.00 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.20 1meh s ILE 327 CO 0.00 0.42 0.00 0.61 0.24 0.00 0.00 174.94 176.21 1meh n GLY 328 N 1.66 -1.46 3.62 6.27 0.00 -1.26 -4.60 105.19 109.42 1meh n GLY 328 Ca -0.16 -1.44 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 1meh n GLY 328 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1meh s ARG 329 N -1.87 0.45 0.19 1.61 3.52 -1.19 -5.03 118.95 116.63 1meh s ARG 329 Ca 0.00 0.32 -0.32 0.00 -0.13 0.00 0.00 55.73 55.59 1meh s ARG 329 Cb 0.00 0.22 -0.15 0.00 -1.56 0.00 0.00 34.95 33.46 1meh s ARG 329 CO 0.00 -0.10 1.28 0.41 -0.81 0.00 0.00 175.30 176.08 1meh n GLY 330 N 1.43 0.38 0.32 8.12 0.00 -1.26 -4.68 105.19 109.50 1meh n GLY 330 Ca -0.10 0.53 0.02 0.00 0.00 0.00 0.00 46.02 46.47 1meh n GLY 330 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1meh h GLN 331 N 3.84 0.90 -0.05 1.61 5.75 -1.91 -1.07 115.11 124.17 1meh h GLN 331 Ca -0.44 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1meh h GLN 331 Cb 1.31 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.66 1meh h GLN 331 CO 0.73 0.59 0.02 0.00 -2.65 0.00 0.00 178.83 177.53 1meh h ALA 332 N 1.43 0.07 -0.92 3.38 0.00 -1.64 -1.47 119.26 120.11 1meh h ALA 332 Ca 0.39 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1meh h ALA 332 Cb 0.25 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1meh h ALA 332 CO -0.20 -0.33 0.57 1.15 0.00 0.00 0.00 179.25 180.44 1meh h THR 333 N -0.09 1.25 -0.17 0.00 2.02 -1.34 -1.19 112.91 113.39 1meh h THR 333 Ca 0.02 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1meh h THR 333 Cb 0.19 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 1meh h THR 333 CO -0.00 0.25 0.09 0.00 0.37 0.00 0.00 175.52 176.24 1meh h ALA 334 N 1.37 0.22 -0.05 6.16 0.00 -0.99 -0.85 119.26 125.11 1meh h ALA 334 Ca 0.33 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1meh h ALA 334 Cb -0.09 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1meh h ALA 334 CO -0.07 -0.25 0.02 0.28 0.00 0.00 0.00 179.25 179.24 1meh h VAL 335 N 0.17 1.09 -0.55 0.00 2.07 -0.94 -0.75 116.25 117.34 1meh h VAL 335 Ca 0.06 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.38 1meh h VAL 335 Cb 0.07 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1meh h VAL 335 CO -0.01 0.07 0.27 0.40 0.02 0.00 0.00 177.57 178.33 1meh h ILE 336 N -0.02 0.94 -0.10 4.57 2.04 -1.14 0.17 117.51 123.96 1meh h ILE 336 Ca 0.02 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1meh h ILE 336 Cb 0.10 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1meh h ILE 336 CO -0.00 0.10 0.00 -0.78 0.00 0.00 0.00 178.15 177.46 1meh h ASP 337 N 0.52 0.17 -0.68 1.72 -0.00 -1.04 -2.14 116.42 114.96 1meh h ASP 337 Ca 0.25 -0.31 -0.03 0.00 -0.00 0.00 0.00 57.03 56.93 1meh h ASP 337 Cb 0.17 -0.04 -0.03 0.00 -0.00 0.00 0.00 39.33 39.43 1meh h ASP 337 CO -0.18 0.43 0.29 0.58 -0.00 0.00 0.00 179.24 180.37 1meh h VAL 338 N -0.11 1.24 -0.84 2.25 2.07 -0.88 -2.25 116.25 117.72 1meh h VAL 338 Ca 0.03 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1meh h VAL 338 Cb 0.35 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1meh h VAL 338 CO 0.00 0.29 0.48 0.58 0.02 0.00 0.00 177.57 178.95 1meh h VAL 339 N 0.97 1.24 -0.67 2.57 2.07 -0.65 0.17 116.25 121.95 1meh h VAL 339 Ca 0.23 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1meh h VAL 339 Cb 0.18 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1meh h VAL 339 CO -0.02 0.26 0.18 0.00 0.02 0.00 0.00 177.57 178.01 1meh h ALA 340 N 1.36 0.88 -0.35 1.67 0.00 -1.04 -0.33 119.26 121.45 1meh h ALA 340 Ca 0.30 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1meh h ALA 340 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1meh h ALA 340 CO -0.05 0.58 -0.30 1.49 0.00 0.00 0.00 179.25 180.96 1meh h GLU 341 N 0.99 0.74 -0.67 0.00 4.57 -0.81 -1.65 114.58 117.75 1meh h GLU 341 Ca 0.21 -0.34 -0.08 0.00 -1.18 0.00 0.00 59.36 57.97 1meh h GLU 341 Cb 0.34 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.89 1meh h GLU 341 CO -0.00 0.95 0.11 -0.09 -1.18 0.00 0.00 179.01 178.80 1meh h ARG 342 N 0.63 1.11 -0.21 1.92 1.12 -0.31 0.12 114.38 118.77 1meh h ARG 342 Ca 0.07 -0.30 -0.13 0.00 -1.11 0.00 0.00 59.98 58.51 1meh h ARG 342 Cb 0.83 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.65 1meh h ARG 342 CO 0.07 1.02 -0.43 -0.91 -3.11 0.00 0.00 179.97 176.60 1meh h ASN 343 N 1.04 0.53 -0.42 -3.80 2.35 -0.90 -0.85 115.58 113.53 1meh h ASN 343 Ca 0.21 -0.24 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 1meh h ASN 343 Cb 0.44 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1meh h ASN 343 CO 0.01 0.90 -0.06 0.50 -1.65 0.00 0.00 177.43 177.13 1meh h LYS 344 N 0.41 0.78 -0.88 0.81 3.64 -0.95 -1.92 116.57 118.46 1meh h LYS 344 Ca 0.03 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 1meh h LYS 344 Cb 0.92 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 1meh h LYS 344 CO 0.08 0.89 0.47 -0.92 -2.27 0.00 0.00 179.45 177.70 1meh h TYR 345 N 0.61 1.22 -0.57 1.91 3.20 -0.51 -1.47 116.97 121.36 1meh h TYR 345 Ca 0.11 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1meh h TYR 345 Cb 0.57 -0.39 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1meh h TYR 345 CO 0.05 0.85 0.24 0.35 -1.64 0.00 0.00 178.16 178.01 1meh h PHE 346 N 1.24 0.86 -0.25 -3.82 3.57 -0.92 -0.38 116.94 117.24 1meh h PHE 346 Ca 0.31 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 1meh h PHE 346 Cb 0.05 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1meh h PHE 346 CO 0.01 0.68 -0.16 0.93 -2.23 0.00 0.00 178.31 177.55 1meh h GLU 347 N 0.78 0.42 0.18 1.11 5.08 -0.88 0.49 114.58 121.77 1meh h GLU 347 Ca 0.19 -0.13 -0.31 0.00 -1.00 0.00 0.00 59.36 58.12 1meh h GLU 347 Cb 0.18 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.40 1meh h GLU 347 CO -0.02 0.58 -1.40 0.93 -1.00 0.00 0.00 179.01 178.11 1meh h GLU 348 N 0.39 0.38 0.00 2.33 5.08 -0.96 -3.40 114.58 118.40 1meh h GLU 348 Ca 0.07 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1meh h GLU 348 Cb 0.51 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1meh h GLU 348 CO 0.03 1.30 -1.02 0.25 -1.00 0.00 0.00 179.01 178.57 1meh n THR 349 N -3.60 0.00 -0.96 1.13 -2.24 -0.18 -4.99 114.28 103.44 1meh n THR 349 Ca -0.13 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1meh n THR 349 Cb 1.06 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 1meh n THR 349 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1meh n GLY 350 N 1.70 0.82 3.67 3.38 0.00 0.17 -4.98 105.19 109.96 1meh n GLY 350 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1meh n GLY 350 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1meh s ILE 351 N -3.26 5.34 -0.31 -0.61 1.01 -1.25 -0.31 121.20 121.80 1meh s ILE 351 Ca 0.00 0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.82 1meh s ILE 351 Cb 0.00 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 1meh s ILE 351 CO 0.00 0.34 0.17 -0.47 0.00 0.00 0.00 174.94 174.99 1meh s TYR 352 N 0.99 3.19 -0.31 3.97 5.04 0.52 -3.76 117.35 126.98 1meh s TYR 352 Ca 0.10 -0.41 -0.09 0.00 -2.44 0.00 0.00 57.07 54.23 1meh s TYR 352 Cb -0.13 -2.38 0.00 0.00 0.35 0.00 0.00 41.96 39.80 1meh s TYR 352 CO 0.04 -0.40 0.14 0.42 -1.34 0.00 0.00 175.55 174.41 1meh s ILE 353 N 1.65 4.38 0.49 3.14 1.01 -1.26 -2.14 121.20 128.47 1meh s ILE 353 Ca 0.05 -0.58 -0.23 0.00 0.00 0.00 0.00 60.65 59.89 1meh s ILE 353 Cb -0.17 -3.28 -0.07 0.00 0.01 0.00 0.00 42.46 38.96 1meh s ILE 353 CO 0.08 0.02 1.31 -2.84 0.00 0.00 0.00 174.94 173.51 1meh s PRO 354 N 1.57 3.51 0.12 2.79 0.02 -1.26 -4.85 135.00 136.89 1meh s PRO 354 Ca 0.03 2.14 0.10 0.00 0.02 0.00 0.00 61.00 63.30 1meh s PRO 354 Cb -0.17 -2.44 -0.04 0.00 0.02 0.00 0.00 34.50 31.87 1meh s PRO 354 CO 0.05 -0.86 -0.25 0.14 -0.33 0.00 0.00 177.00 175.75 1meh s VAL 355 N -1.34 2.04 -0.14 3.83 -7.23 -1.26 -2.05 120.40 114.25 1meh s VAL 355 Ca 0.65 -1.67 0.01 0.00 -1.81 0.00 0.00 61.98 59.16 1meh s VAL 355 Cb -0.38 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 34.74 1meh s VAL 355 CO 0.46 0.03 -0.18 0.00 -0.31 0.00 0.00 175.10 175.10 1meh s SER 357 N 0.74 6.55 -0.33 0.00 0.15 -0.67 0.53 113.70 120.67 1meh s SER 357 Ca -0.07 0.26 -0.08 0.00 0.70 0.00 0.00 55.95 56.75 1meh s SER 357 Cb -0.16 -2.46 0.02 0.00 -1.71 0.00 0.00 66.02 61.71 1meh s SER 357 CO 0.01 -1.03 0.13 -0.62 1.20 0.00 0.00 173.24 172.92 1meh s ASP 358 N 2.20 5.39 0.00 5.45 2.15 0.18 -1.23 116.67 130.82 1meh s ASP 358 Ca 0.38 -0.86 0.00 0.00 0.43 0.00 0.00 52.55 52.51 1meh s ASP 358 Cb -0.10 -1.93 0.00 0.00 -0.30 0.00 0.00 42.92 40.59 1meh s ASP 358 CO 0.25 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.59 1meh n GLY 359 N 4.90 -0.35 1.81 2.66 0.00 -0.91 -4.50 105.19 108.81 1meh n GLY 359 Ca -0.13 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1meh n GLY 359 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1meh n GLY 360 N -0.19 0.98 3.59 -0.02 0.00 -1.01 -4.79 105.19 103.75 1meh n GLY 360 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1meh n GLY 360 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1meh s ILE 361 N -3.10 4.17 -0.25 -0.61 -1.09 -1.26 -4.83 121.20 114.22 1meh s ILE 361 Ca 0.00 1.10 -0.04 0.00 -2.23 0.00 0.00 60.65 59.48 1meh s ILE 361 Cb 0.00 -4.63 -0.14 0.00 -1.58 0.00 0.00 42.46 36.11 1meh s ILE 361 CO 0.00 -1.10 -0.26 0.52 -1.23 0.00 0.00 174.94 172.87 1meh n VAL 362 N 6.78 1.41 -4.45 2.92 0.31 -1.26 -4.85 118.33 119.19 1meh n VAL 362 Ca 0.11 -0.47 -0.24 0.00 -0.01 0.00 0.00 64.34 63.73 1meh n VAL 362 Cb 0.49 -1.56 -0.10 0.00 -0.91 0.00 0.00 33.84 31.76 1meh n VAL 362 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1meh s TYR 363 N -2.48 2.24 0.28 3.52 2.02 -1.26 -5.04 117.35 116.62 1meh s TYR 363 Ca -0.34 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.01 1meh s TYR 363 Cb 0.11 -1.00 0.56 0.00 -0.40 0.00 0.00 41.96 41.23 1meh s TYR 363 CO 0.52 0.65 1.82 -0.44 -1.57 0.00 0.00 175.55 176.53 1meh h ASP 364 N 2.46 0.86 0.36 2.29 3.32 -1.95 -0.51 116.42 123.26 1meh h ASP 364 Ca -0.41 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1meh h ASP 364 Cb 1.25 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1meh h ASP 364 CO 0.58 0.44 0.00 0.10 -1.72 0.00 0.00 179.24 178.64 1meh h TYR 365 N 0.92 0.00 0.00 4.55 -0.00 -1.96 -0.18 116.97 120.30 1meh h TYR 365 Ca 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 59.14 1meh h TYR 365 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.26 1meh h TYR 365 CO -0.01 0.00 -0.42 0.45 -0.00 0.00 0.00 178.16 178.17 1meh h HIS 366 N 0.00 0.00 -0.12 0.10 3.86 -1.47 -2.03 115.15 115.49 1meh h HIS 366 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1meh h HIS 366 Cb 0.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1meh h HIS 366 CO 0.00 0.42 0.04 0.52 0.86 0.00 0.00 177.93 179.78 1meh h MET 367 N 0.00 0.18 -0.82 2.45 2.86 -1.11 -0.50 114.93 117.99 1meh h MET 367 Ca -0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1meh h MET 367 Cb 0.76 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.35 1meh h MET 367 CO 0.05 0.30 0.49 1.15 1.06 0.00 0.00 176.91 179.96 1meh h THR 368 N 0.02 1.23 -0.24 2.22 2.02 -1.54 -1.90 112.91 114.73 1meh h THR 368 Ca 0.04 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 1meh h THR 368 Cb 0.19 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1meh h THR 368 CO -0.00 0.25 0.10 -0.07 0.37 0.00 0.00 175.52 176.16 1meh h LEU 369 N 1.13 0.33 -0.45 2.58 3.38 -1.15 0.66 115.31 121.79 1meh h LEU 369 Ca 0.29 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1meh h LEU 369 Cb -0.03 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1meh h LEU 369 CO -0.05 0.40 0.23 0.00 0.09 0.00 0.00 178.44 179.11 1meh h ALA 370 N 0.94 0.56 -0.34 1.53 0.00 -0.86 0.25 119.26 121.35 1meh h ALA 370 Ca 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1meh h ALA 370 Cb 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1meh h ALA 370 CO -0.01 -0.12 0.09 -0.07 0.00 0.00 0.00 179.25 179.15 1meh h LEU 371 N 0.46 0.50 -1.41 0.00 3.38 -1.22 -2.31 115.31 114.71 1meh h LEU 371 Ca 0.19 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1meh h LEU 371 Cb 0.08 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1meh h LEU 371 CO -0.13 0.59 0.37 0.00 0.09 0.00 0.00 178.44 179.37 1meh h ALA 372 N 0.93 1.57 0.00 1.53 0.00 -0.36 -1.09 119.26 121.83 1meh h ALA 372 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1meh h ALA 372 Cb 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1meh h ALA 372 CO -0.00 0.39 0.00 -1.33 0.00 0.00 0.00 179.25 178.31 1meh n MET 373 N -4.44 0.17 0.00 0.00 2.81 0.03 -4.48 117.12 111.21 1meh n MET 373 Ca 0.06 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1meh n MET 373 Cb 0.05 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 1meh n MET 373 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1meh n GLY 374 N 0.36 1.64 3.76 3.03 0.00 -0.41 -4.58 105.19 108.98 1meh n GLY 374 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1meh n GLY 374 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1meh s ALA 375 N -1.97 3.57 0.06 4.61 0.00 -0.89 -4.83 121.76 122.32 1meh s ALA 375 Ca 0.00 1.31 -0.08 0.00 0.00 0.00 0.00 51.96 53.19 1meh s ALA 375 Cb 0.00 -3.53 -0.31 0.00 0.00 0.00 0.00 23.12 19.28 1meh s ALA 375 CO 0.00 -0.72 1.09 -0.44 0.00 0.00 0.00 175.76 175.68 1meh h ASP 376 N 4.32 0.56 -5.36 0.00 3.32 -1.60 -3.39 116.42 114.27 1meh h ASP 376 Ca -0.47 -0.60 -0.12 0.00 0.02 0.00 0.00 57.03 55.85 1meh h ASP 376 Cb 1.22 -0.18 -0.12 0.00 0.22 0.00 0.00 39.33 40.47 1meh h ASP 376 CO 0.72 1.47 -0.31 0.72 -1.72 0.00 0.00 179.24 180.12 1meh s PHE 377 N -2.64 0.63 -0.05 4.55 -0.71 -1.19 -4.81 117.98 113.76 1meh s PHE 377 Ca -0.06 -0.94 0.05 0.00 -1.04 0.00 0.00 56.93 54.94 1meh s PHE 377 Cb 0.06 -0.09 -0.01 0.00 -1.21 0.00 0.00 43.02 41.77 1meh s PHE 377 CO 0.90 -0.83 -0.19 0.42 -1.34 0.00 0.00 175.22 174.18 1meh s ILE 378 N -4.06 1.60 -0.16 -4.49 1.01 0.60 -1.68 121.20 114.03 1meh s ILE 378 Ca 0.27 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 1meh s ILE 378 Cb 0.02 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 1meh s ILE 378 CO 0.09 0.46 0.02 -0.32 0.00 0.00 0.00 174.94 175.18 1meh s MET 379 N -0.03 3.78 0.02 2.79 -2.45 -0.36 -0.71 119.30 122.33 1meh s MET 379 Ca -0.03 -0.42 0.03 0.00 -1.25 0.00 0.00 55.69 54.02 1meh s MET 379 Cb -0.12 -3.06 -0.01 0.00 1.25 0.00 0.00 34.83 32.89 1meh s MET 379 CO 0.02 0.29 -0.09 -0.51 1.05 0.00 0.00 175.02 175.79 1meh s LEU 380 N 0.27 2.11 -0.02 4.11 1.02 -0.73 -2.14 118.68 123.30 1meh s LEU 380 Ca 0.01 -0.32 -0.04 0.00 0.02 0.00 0.00 54.13 53.80 1meh s LEU 380 Cb -0.13 -0.38 -0.01 0.00 0.02 0.00 0.00 46.19 45.69 1meh s LEU 380 CO 0.01 0.00 -0.08 0.61 0.02 0.00 0.00 176.35 176.91 1meh n GLY 381 N 2.29 -0.25 0.26 -3.19 0.00 -1.26 -0.90 105.19 102.14 1meh n GLY 381 Ca -0.17 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 45.80 1meh n GLY 381 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1meh h ARG 382 N -0.24 0.40 -0.59 1.61 2.43 -1.97 -0.40 114.38 115.62 1meh h ARG 382 Ca 0.00 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.26 1meh h ARG 382 Cb 0.24 -0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 29.61 1meh h ARG 382 CO 0.00 0.26 0.07 -0.92 -1.51 0.00 0.00 179.97 177.87 1meh h TYR 383 N 0.41 0.09 0.00 2.20 3.20 -1.88 -2.40 116.97 118.58 1meh h TYR 383 Ca 0.37 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 62.15 1meh h TYR 383 Cb 0.53 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1meh h TYR 383 CO -0.18 -0.09 -0.84 0.74 -1.64 0.00 0.00 178.16 176.14 1meh h PHE 384 N 0.19 0.00 -0.00 -3.82 0.04 -1.66 -3.32 116.94 108.37 1meh h PHE 384 Ca 0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1meh h PHE 384 Cb 0.48 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 1meh h PHE 384 CO -0.30 0.53 0.00 0.00 -0.60 0.00 0.00 178.31 177.94 1meh h ALA 385 N 1.47 1.93 0.00 2.45 0.00 -0.56 -2.06 119.26 122.48 1meh h ALA 385 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1meh h ALA 385 Cb 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1meh h ALA 385 CO 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1meh h ARG 386 N 0.00 0.00 -7.09 0.00 3.08 -1.63 -3.44 114.38 105.30 1meh h ARG 386 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 1meh h ARG 386 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.07 1meh h ARG 386 CO -0.00 0.00 0.29 -0.06 -1.07 0.00 0.00 179.97 179.13 1meh s PHE 387 N -3.58 3.48 0.38 3.04 0.08 -0.78 -1.57 117.98 119.04 1meh s PHE 387 Ca 0.02 1.30 0.12 0.00 0.12 0.00 0.00 56.93 58.49 1meh s PHE 387 Cb 0.09 -2.66 0.92 0.00 -0.57 0.00 0.00 43.02 40.80 1meh s PHE 387 CO 0.48 -0.31 1.87 1.49 -0.10 0.00 0.00 175.22 178.65 1meh h GLU 388 N 0.89 0.56 0.00 0.44 4.57 -1.35 -1.69 114.58 118.00 1meh h GLU 388 Ca -0.47 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1meh h GLU 388 Cb 1.19 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1meh h GLU 388 CO 0.62 0.37 0.00 0.39 -1.18 0.00 0.00 179.01 179.21 1meh n GLU 389 N -4.54 0.05 -2.10 1.92 4.71 -1.26 -4.82 120.64 114.59 1meh n GLU 389 Ca 0.17 0.11 -0.37 0.00 -0.01 0.00 0.00 57.16 57.06 1meh n GLU 389 Cb 0.53 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.48 1meh n GLU 389 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1meh s SER 390 N -2.94 5.65 0.00 1.62 1.04 -0.64 -3.14 113.70 115.30 1meh s SER 390 Ca 0.12 2.40 0.00 0.00 0.48 0.00 0.00 55.95 58.95 1meh s SER 390 Cb 0.15 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1meh s SER 390 CO 0.40 -1.28 0.44 -0.81 0.98 0.00 0.00 173.24 172.97 1meh n PRO 391 N -1.02 0.80 -3.56 4.02 -0.04 -1.26 -4.86 135.00 129.08 1meh n PRO 391 Ca 0.10 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.36 1meh n PRO 391 Cb 0.48 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 1meh n PRO 391 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1meh s THR 392 N -1.10 2.99 0.26 0.52 -4.23 -1.26 -4.99 115.64 107.82 1meh s THR 392 Ca 0.00 -1.29 -0.30 0.00 -1.18 0.00 0.00 61.69 58.92 1meh s THR 392 Cb 0.00 -3.06 -0.09 0.00 1.34 0.00 0.00 72.50 70.68 1meh s THR 392 CO 0.00 -0.05 1.08 -0.13 -0.54 0.00 0.00 174.62 174.98 1meh s ARG 393 N -4.12 4.66 -0.38 3.99 0.52 -1.26 -4.87 118.95 117.49 1meh s ARG 393 Ca 0.47 1.75 -0.21 0.00 -0.52 0.00 0.00 55.73 57.22 1meh s ARG 393 Cb -0.05 -3.21 0.01 0.00 0.52 0.00 0.00 34.95 32.22 1meh s ARG 393 CO 0.28 0.23 0.67 0.21 0.02 0.00 0.00 175.30 176.72 1meh s LYS 394 N -1.26 3.59 -0.04 3.54 2.20 -1.26 -3.38 119.74 123.13 1meh s LYS 394 Ca 0.45 -0.00 0.05 0.00 -0.36 0.00 0.00 55.97 56.10 1meh s LYS 394 Cb -0.31 -3.85 -0.02 0.00 -1.51 0.00 0.00 37.83 32.14 1meh s LYS 394 CO 0.39 -0.84 -0.17 0.14 -0.36 0.00 0.00 175.35 174.51 1meh s VAL 395 N 2.84 2.79 -0.28 4.02 -7.23 0.11 -4.94 120.40 117.71 1meh s VAL 395 Ca 0.26 -0.83 -0.07 0.00 -1.81 0.00 0.00 61.98 59.52 1meh s VAL 395 Cb -0.14 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 1meh s VAL 395 CO 0.17 0.58 0.08 -0.89 -0.31 0.00 0.00 175.10 174.73 1meh s THR 396 N -0.71 4.13 -0.31 5.32 2.01 -1.26 0.59 115.64 125.41 1meh s THR 396 Ca 0.11 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.66 1meh s THR 396 Cb -0.10 -3.05 0.08 0.00 0.01 0.00 0.00 72.50 69.44 1meh s THR 396 CO 0.00 0.19 0.00 -0.63 -0.69 0.00 0.00 174.62 173.49 1meh s ILE 397 N 1.55 2.51 -1.27 1.82 1.01 -0.15 -4.75 121.20 121.92 1meh s ILE 397 Ca 0.04 -1.86 -0.04 0.00 0.00 0.00 0.00 60.65 58.79 1meh s ILE 397 Cb -0.16 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.69 1meh s ILE 397 CO 0.03 -0.31 1.08 0.59 0.00 0.00 0.00 174.94 176.33 1meh n ASN 398 N 4.43 -3.96 0.00 3.58 3.02 -1.26 -2.24 115.26 118.84 1meh n ASN 398 Ca -0.07 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 1meh n ASN 398 Cb 0.42 -5.08 0.00 0.00 -0.61 0.00 0.00 39.78 34.52 1meh n ASN 398 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1meh n GLY 399 N -1.52 1.71 3.37 7.41 0.00 -1.26 -5.01 105.19 109.89 1meh n GLY 399 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1meh n GLY 399 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1meh s SER 400 N -3.33 5.29 -0.14 1.61 0.01 -0.95 -5.06 113.70 111.14 1meh s SER 400 Ca 0.00 -0.72 -0.29 0.00 1.31 0.00 0.00 55.95 56.25 1meh s SER 400 Cb 0.00 -1.92 -0.01 0.00 0.21 0.00 0.00 66.02 64.30 1meh s SER 400 CO 0.00 -0.22 1.11 -0.69 0.41 0.00 0.00 173.24 173.86 1meh s VAL 401 N 1.53 4.53 0.35 3.43 1.01 -1.26 -0.98 120.40 129.01 1meh s VAL 401 Ca 0.03 1.83 0.04 0.00 0.00 0.00 0.00 61.98 63.88 1meh s VAL 401 Cb -0.17 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 1meh s VAL 401 CO 0.04 -0.07 0.05 -0.04 0.00 0.00 0.00 175.10 175.08 1meh s MET 402 N 2.68 1.75 0.05 2.72 -1.94 0.20 -1.40 119.30 123.34 1meh s MET 402 Ca 0.50 -1.99 0.04 0.00 -1.71 0.00 0.00 55.69 52.53 1meh s MET 402 Cb -0.20 -1.00 -0.02 0.00 2.01 0.00 0.00 34.83 35.62 1meh s MET 402 CO 0.15 -0.20 -0.11 0.15 -0.01 0.00 0.00 175.02 175.00 1meh s LYS 403 N -3.85 0.72 0.48 2.03 1.02 -0.17 -0.71 119.74 119.26 1meh s LYS 403 Ca 0.34 -0.78 -0.20 0.00 0.02 0.00 0.00 55.97 55.35 1meh s LYS 403 Cb 0.08 -0.65 -0.08 0.00 -0.52 0.00 0.00 37.83 36.66 1meh s LYS 403 CO 0.15 0.15 1.04 -1.21 -0.92 0.00 0.00 175.35 174.56 1meh s GLU 404 N -1.40 3.81 -0.22 1.68 2.02 -1.22 -0.95 118.70 122.41 1meh s GLU 404 Ca -0.03 1.39 -0.08 0.00 0.02 0.00 0.00 54.97 56.26 1meh s GLU 404 Cb -0.09 -2.12 0.10 0.00 0.10 0.00 0.00 34.13 32.12 1meh s GLU 404 CO 0.01 -0.43 0.49 -0.47 0.02 0.00 0.00 175.26 174.88 1meh s TYR 405 N -1.94 -0.93 0.02 1.61 5.04 -0.03 -4.84 117.35 116.29 1meh s TYR 405 Ca 0.67 1.73 0.01 0.00 -2.44 0.00 0.00 57.07 57.04 1meh s TYR 405 Cb -0.17 0.44 -0.02 0.00 0.35 0.00 0.00 41.96 42.56 1meh s TYR 405 CO 0.21 -0.52 -0.04 1.67 -1.34 0.00 0.00 175.55 175.53 1meh s TRP 406 N 2.53 0.34 0.65 4.97 -2.14 -1.26 -0.35 118.94 123.68 1meh s TRP 406 Ca -0.04 -0.46 -0.14 0.00 2.66 0.00 0.00 56.10 58.12 1meh s TRP 406 Cb -0.11 -0.23 -0.01 0.00 -3.10 0.00 0.00 33.47 30.02 1meh s TRP 406 CO -0.15 -0.14 1.07 0.20 -2.66 0.00 0.00 176.95 175.28 1meh s GLY 407 N -1.31 2.00 0.17 3.67 0.00 -0.32 -4.71 107.32 106.82 1meh s GLY 407 Ca -0.12 0.36 0.23 0.00 0.00 0.00 0.00 44.72 45.18 1meh s GLY 407 CO -0.01 0.69 1.70 1.18 0.00 0.00 0.00 173.10 176.66 1meh n GLU 408 N -2.49 0.15 0.00 2.90 -0.58 -1.26 -2.39 120.64 116.98 1meh n GLU 408 Ca 0.09 0.31 0.12 0.00 -0.42 0.00 0.00 57.16 57.26 1meh n GLU 408 Cb 0.53 -1.75 0.28 0.00 -0.57 0.00 0.00 31.44 29.92 1meh n GLU 408 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1meh n GLY 409 N 0.42 -0.98 3.79 0.62 0.00 -1.26 -4.16 105.19 103.62 1meh n GLY 409 Ca 0.04 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 1meh n GLY 409 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1meh s SER 410 N -2.81 5.89 0.52 1.61 1.04 -1.00 -3.57 113.70 115.38 1meh s SER 410 Ca 0.16 2.02 0.17 0.00 0.48 0.00 0.00 55.95 58.78 1meh s SER 410 Cb 0.18 -2.56 1.30 0.00 0.10 0.00 0.00 66.02 65.04 1meh s SER 410 CO 0.64 -1.10 2.14 0.77 0.98 0.00 0.00 173.24 176.68 1meh h SER 411 N 1.10 0.00 0.21 7.02 4.64 -1.85 -0.18 113.55 124.48 1meh h SER 411 Ca -0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 1meh h SER 411 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1meh h SER 411 CO 0.57 0.02 -0.17 -0.09 -0.87 0.00 0.00 176.83 176.30 1meh h ARG 412 N 0.00 0.00 0.00 4.77 2.43 -1.91 -3.29 114.38 116.38 1meh h ARG 412 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1meh h ARG 412 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1meh h ARG 412 CO 0.00 0.17 -0.13 0.00 -1.51 0.00 0.00 179.97 178.50 1meh h ALA 413 N 1.83 0.00 -2.10 2.80 0.00 -1.27 -3.44 119.26 117.09 1meh h ALA 413 Ca -0.00 -0.15 -0.63 0.00 0.00 0.00 0.00 54.91 54.13 1meh h ALA 413 Cb 0.31 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.10 1meh h ALA 413 CO 0.02 0.13 0.29 -0.98 0.00 0.00 0.00 179.25 178.71 1meh s ARG 414 N -1.63 3.39 0.00 0.00 1.70 -1.00 -4.45 118.95 116.96 1meh s ARG 414 Ca -0.04 -0.16 0.00 0.00 -0.47 0.00 0.00 55.73 55.06 1meh s ARG 414 Cb 0.01 -3.93 0.00 0.00 -0.57 0.00 0.00 34.95 30.45 1meh s ARG 414 CO 0.06 -1.07 0.00 -1.71 -1.08 0.00 0.00 175.30 171.50 1meh n ASN 415 N 6.57 0.00 -0.16 -2.89 2.85 -1.26 -4.72 115.26 115.65 1meh n ASN 415 Ca 0.01 -0.15 0.15 0.00 -0.11 0.00 0.00 54.58 54.47 1meh n ASN 415 Cb 0.48 0.00 0.70 0.00 1.24 0.00 0.00 39.78 42.20 1meh n ASN 415 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 1meh n TRP 416 N 0.00 0.00 0.00 1.20 4.27 -1.26 -5.19 117.44 116.46 1meh n TRP 416 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1meh n TRP 416 Cb 0.07 -0.09 0.00 0.00 -1.36 0.00 0.00 31.31 29.93 1meh n TRP 416 CO 0.00 0.00 0.00 -0.85 -2.29 0.00 0.00 177.69 174.55 1meh n GLU 430 N -0.72 0.00 -0.96 -2.67 0.28 -1.26 -5.07 120.64 110.23 1meh n GLU 430 Ca 0.18 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.11 1meh n GLU 430 Cb 0.24 0.00 0.05 0.00 1.43 0.00 0.00 31.44 33.16 1meh n GLU 430 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1meh n GLU 431 N -1.53 0.08 0.00 3.44 2.13 -1.23 -5.03 120.64 118.50 1meh n GLU 431 Ca 0.00 -0.75 0.00 0.00 0.66 0.00 0.00 57.16 57.07 1meh n GLU 431 Cb 0.00 -0.29 0.00 0.00 0.27 0.00 0.00 31.44 31.42 1meh n GLU 431 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1meh n GLY 432 N 2.55 1.34 2.97 8.31 0.00 -1.25 -3.74 105.19 115.36 1meh n GLY 432 Ca 0.05 0.50 -0.14 0.00 0.00 0.00 0.00 46.02 46.43 1meh n GLY 432 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1meh s VAL 433 N 0.00 -0.39 -0.06 1.61 1.01 -1.26 -4.83 120.40 116.48 1meh s VAL 433 Ca 0.00 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.28 1meh s VAL 433 Cb 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 35.97 1meh s VAL 433 CO 0.00 0.11 -0.09 -0.62 0.00 0.00 0.00 175.10 174.50 1meh s ASP 434 N 2.40 1.45 0.06 3.32 -1.08 -1.26 -1.18 116.67 120.38 1meh s ASP 434 Ca 0.02 -0.23 -0.02 0.00 -0.52 0.00 0.00 52.55 51.80 1meh s ASP 434 Cb -0.12 -0.67 0.01 0.00 -1.46 0.00 0.00 42.92 40.68 1meh s ASP 434 CO -0.08 -0.01 0.11 -1.54 0.52 0.00 0.00 175.17 174.17 1meh n SER 435 N 3.96 -0.33 -4.30 -0.34 3.41 0.52 -5.00 113.62 111.55 1meh n SER 435 Ca -0.23 -1.27 -0.24 0.00 -0.26 0.00 0.00 58.87 56.87 1meh n SER 435 Cb 0.51 0.56 -0.12 0.00 -0.26 0.00 0.00 64.21 64.90 1meh n SER 435 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1meh s TYR 436 N -7.04 1.83 0.02 7.33 2.02 -1.26 -0.85 117.35 119.40 1meh s TYR 436 Ca 0.03 -0.42 0.05 0.00 -0.37 0.00 0.00 57.07 56.36 1meh s TYR 436 Cb -0.01 -0.99 -0.02 0.00 -0.40 0.00 0.00 41.96 40.54 1meh s TYR 436 CO 0.02 0.23 -0.16 0.14 -1.57 0.00 0.00 175.55 174.21 1meh s VAL 437 N -1.23 1.23 0.26 0.71 -7.23 -0.13 -4.92 120.40 109.09 1meh s VAL 437 Ca 0.08 -0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 59.09 1meh s VAL 437 Cb -0.10 -1.07 -0.11 0.00 0.56 0.00 0.00 36.38 35.67 1meh s VAL 437 CO 0.05 0.19 1.56 -2.16 -0.31 0.00 0.00 175.10 174.43 1meh s PRO 438 N -0.77 4.17 0.33 4.82 0.04 -1.26 -1.00 135.00 141.33 1meh s PRO 438 Ca 0.05 2.48 -0.29 0.00 0.04 0.00 0.00 61.00 63.28 1meh s PRO 438 Cb -0.07 -3.06 -0.11 0.00 0.04 0.00 0.00 34.50 31.30 1meh s PRO 438 CO 0.00 -0.58 1.48 -0.47 0.04 0.00 0.00 177.00 177.47 1meh s TYR 439 N 0.20 2.77 0.00 0.56 5.04 -0.50 -4.70 117.35 120.72 1meh s TYR 439 Ca 0.64 1.09 0.00 0.00 -2.44 0.00 0.00 57.07 56.36 1meh s TYR 439 Cb -0.46 -3.95 0.00 0.00 0.35 0.00 0.00 41.96 37.90 1meh s TYR 439 CO 0.44 -2.91 0.30 0.00 -1.34 0.00 0.00 175.55 172.03 1meh n ALA 440 N 1.22 2.08 0.00 3.97 0.00 -0.61 -5.00 120.51 122.17 1meh n ALA 440 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1meh n ALA 440 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1meh n ALA 440 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1meh n GLY 441 N 0.29 -0.73 3.77 0.00 0.00 -1.26 -4.89 105.19 102.37 1meh n GLY 441 Ca 0.00 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 1meh n GLY 441 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1meh s LYS 442 N 0.00 4.05 0.17 1.61 -0.14 -1.26 -0.92 119.74 123.24 1meh s LYS 442 Ca 0.00 2.14 -0.14 0.00 -1.36 0.00 0.00 55.97 56.61 1meh s LYS 442 Cb 0.00 -2.81 0.09 0.00 -1.68 0.00 0.00 37.83 33.44 1meh s LYS 442 CO 0.00 -0.42 1.79 1.25 -0.76 0.00 0.00 175.35 177.21 1meh h LEU 443 N 2.80 0.38 -0.48 3.17 6.46 -1.94 -3.25 115.31 122.45 1meh h LEU 443 Ca -0.49 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.35 1meh h LEU 443 Cb 1.24 -0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 41.02 1meh h LEU 443 CO 0.63 0.27 -0.48 0.50 -0.62 0.00 0.00 178.44 178.74 1meh h LYS 444 N 0.50 -0.29 -0.39 1.25 3.64 -1.92 -1.09 116.57 118.27 1meh h LYS 444 Ca 0.20 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1meh h LYS 444 Cb 0.07 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1meh h LYS 444 CO -0.12 -0.20 0.04 -0.44 -2.27 0.00 0.00 179.45 176.46 1meh h ASP 445 N -0.31 0.56 -0.18 4.20 3.32 -1.97 -2.00 116.42 120.03 1meh h ASP 445 Ca 0.13 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 56.94 1meh h ASP 445 Cb 0.58 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1meh h ASP 445 CO -0.63 0.60 -0.44 0.78 -1.72 0.00 0.00 179.24 177.83 1meh h ASN 446 N 0.57 0.70 -0.45 6.45 2.35 -1.46 -2.56 115.58 121.17 1meh h ASN 446 Ca 0.13 -0.57 -0.07 0.00 -0.55 0.00 0.00 56.30 55.24 1meh h ASN 446 Cb 0.31 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1meh h ASN 446 CO 0.01 1.14 0.00 0.58 -1.65 0.00 0.00 177.43 177.51 1meh h VAL 447 N 0.29 1.26 -0.56 2.81 2.07 -1.14 -0.97 116.25 120.01 1meh h VAL 447 Ca -0.00 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 66.52 1meh h VAL 447 Cb 1.05 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1meh h VAL 447 CO 0.10 0.36 0.31 -0.08 0.02 0.00 0.00 177.57 178.27 1meh h GLU 448 N 0.64 0.58 -0.27 1.57 4.81 -1.39 0.66 114.58 121.18 1meh h GLU 448 Ca 0.13 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1meh h GLU 448 Cb 0.49 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1meh h GLU 448 CO 0.02 0.38 0.02 0.00 -0.73 0.00 0.00 179.01 178.71 1meh h ALA 449 N 1.28 0.36 0.09 2.92 0.00 -1.27 -0.99 119.26 121.64 1meh h ALA 449 Ca 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1meh h ALA 449 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1meh h ALA 449 CO -0.14 0.07 -0.08 0.77 0.00 0.00 0.00 179.25 179.86 1meh h SER 450 N 0.26 -0.22 0.49 0.00 0.02 -0.81 -2.74 113.55 110.55 1meh h SER 450 Ca 0.08 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1meh h SER 450 Cb 0.37 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1meh h SER 450 CO 0.01 -0.13 -0.23 -0.07 -1.14 0.00 0.00 176.83 175.27 1meh h LEU 451 N -0.19 0.00 -0.95 5.07 3.38 -0.85 -1.81 115.31 119.96 1meh h LEU 451 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1meh h LEU 451 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1meh h LEU 451 CO -0.02 0.23 -0.13 0.78 0.09 0.00 0.00 178.44 179.39 1meh h ASN 452 N 0.00 0.60 -0.24 -0.43 2.35 -0.91 0.60 115.58 117.55 1meh h ASN 452 Ca -0.00 -0.17 -0.19 0.00 -0.55 0.00 0.00 56.30 55.38 1meh h ASN 452 Cb 0.54 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1meh h ASN 452 CO 0.03 0.76 -0.59 0.11 -1.65 0.00 0.00 177.43 176.09 1meh h LYS 453 N 0.56 0.83 -0.27 0.81 1.57 -1.10 -1.52 116.57 117.45 1meh h LYS 453 Ca 0.10 -0.57 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1meh h LYS 453 Cb 0.56 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1meh h LYS 453 CO 0.04 1.19 0.14 0.28 -0.57 0.00 0.00 179.45 180.53 1meh h VAL 454 N 0.59 1.13 -0.63 0.50 2.07 -1.03 -1.27 116.25 117.62 1meh h VAL 454 Ca -0.00 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1meh h VAL 454 Cb 1.21 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1meh h VAL 454 CO 0.13 0.13 0.17 0.11 0.02 0.00 0.00 177.57 178.13 1meh h LYS 455 N 0.32 0.98 -0.42 1.57 1.57 -0.85 0.35 116.57 120.09 1meh h LYS 455 Ca 0.10 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1meh h LYS 455 Cb 0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1meh h LYS 455 CO -0.01 0.86 0.11 1.03 -0.57 0.00 0.00 179.45 180.87 1meh h SER 456 N 0.94 0.62 -0.51 0.86 0.87 -1.06 -1.45 113.55 113.83 1meh h SER 456 Ca 0.20 -0.22 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 1meh h SER 456 Cb 0.31 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 1meh h SER 456 CO -0.00 0.68 0.07 0.74 -0.53 0.00 0.00 176.83 177.79 1meh h THR 457 N 0.53 1.25 -0.93 2.23 2.02 -0.90 -1.79 112.91 115.31 1meh h THR 457 Ca 0.13 -0.97 0.01 0.00 0.77 0.00 0.00 66.41 66.35 1meh h THR 457 Cb 0.30 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 1meh h THR 457 CO -0.00 0.35 0.61 0.24 0.37 0.00 0.00 175.52 177.10 1meh h MET 458 N 0.86 1.22 -0.06 6.66 2.07 -0.54 -0.68 114.93 124.46 1meh h MET 458 Ca 0.17 -0.07 -0.09 0.00 -2.07 0.00 0.00 59.70 57.64 1meh h MET 458 Cb 0.41 -0.28 -0.01 0.00 -1.87 0.00 0.00 31.60 29.85 1meh h MET 458 CO 0.01 0.81 -0.38 0.00 1.07 0.00 0.00 176.91 178.42 1meh h ASN 460 N 0.10 0.50 -0.01 0.00 -0.26 -0.34 -2.09 115.58 113.47 1meh h ASN 460 Ca 0.01 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 1meh h ASN 460 Cb 0.72 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.85 1meh h ASN 460 CO 0.05 0.60 0.00 0.00 -1.06 0.00 0.00 177.43 177.02 1meh n GLY 462 N 1.11 0.30 3.22 0.00 0.00 -0.67 -4.24 105.19 104.91 1meh n GLY 462 Ca 0.20 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 1meh n GLY 462 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1meh s ALA 463 N -2.12 2.04 -1.17 4.61 0.00 0.18 -4.94 121.76 120.36 1meh s ALA 463 Ca 0.00 -0.94 0.19 0.00 0.00 0.00 0.00 51.96 51.21 1meh s ALA 463 Cb 0.00 -0.70 -0.14 0.00 0.00 0.00 0.00 23.12 22.28 1meh s ALA 463 CO 0.00 0.33 0.85 1.28 0.00 0.00 0.00 175.76 178.23 1meh n LEU 464 N 3.25 1.19 -4.09 0.00 4.77 -1.26 -3.81 117.00 117.06 1meh n LEU 464 Ca -0.18 -0.58 -0.10 0.00 -0.03 0.00 0.00 56.01 55.11 1meh n LEU 464 Cb 0.52 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 1meh n LEU 464 CO 0.26 0.26 -0.15 0.42 -1.33 0.00 0.00 177.39 176.86 1meh s THR 465 N -2.58 0.06 0.11 -5.08 -4.23 -1.26 -0.55 115.64 102.10 1meh s THR 465 Ca 0.10 -1.71 -0.16 0.00 -1.18 0.00 0.00 61.69 58.74 1meh s THR 465 Cb 0.15 -2.11 -0.05 0.00 1.34 0.00 0.00 72.50 71.83 1meh s THR 465 CO 0.68 -0.25 1.51 0.40 -0.54 0.00 0.00 174.62 176.42 1meh h ILE 466 N 2.64 1.28 -0.60 2.99 2.04 -1.84 -1.75 117.51 122.27 1meh h ILE 466 Ca -0.33 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.38 1meh h ILE 466 Cb 1.23 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 1meh h ILE 466 CO 0.52 0.36 0.25 -0.65 0.00 0.00 0.00 178.15 178.64 1meh h PRO 467 N 0.42 0.87 -0.48 2.37 0.11 -1.93 -0.42 132.00 132.94 1meh h PRO 467 Ca 0.09 -0.13 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 1meh h PRO 467 Cb 0.57 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 1meh h PRO 467 CO 0.03 0.70 -0.08 0.37 -0.21 0.00 0.00 178.00 178.81 1meh h GLN 468 N 0.86 0.86 -0.51 1.05 4.15 -1.94 -2.16 115.11 117.42 1meh h GLN 468 Ca 0.21 -0.29 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1meh h GLN 468 Cb 0.15 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 1meh h GLN 468 CO -0.02 0.92 0.24 1.25 -1.93 0.00 0.00 178.83 179.28 1meh h LEU 469 N 0.78 0.68 -1.92 -2.39 5.85 -0.56 0.24 115.31 117.98 1meh h LEU 469 Ca 0.13 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1meh h LEU 469 Cb 0.59 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1meh h LEU 469 CO 0.04 0.63 -0.11 1.56 -0.34 0.00 0.00 178.44 180.21 1meh h GLN 470 N 0.68 0.00 0.18 1.25 4.20 -0.81 0.23 115.11 120.84 1meh h GLN 470 Ca 0.17 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.55 1meh h GLN 470 Cb 0.14 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.93 1meh h GLN 470 CO -0.02 0.11 -1.65 1.03 -0.67 0.00 0.00 178.83 177.63 1meh h SER 471 N 0.00 0.59 0.63 1.46 0.87 -0.89 -3.40 113.55 112.81 1meh h SER 471 Ca -0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.63 1meh h SER 471 Cb 0.23 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1meh h SER 471 CO 0.01 1.75 -1.21 0.29 -0.53 0.00 0.00 176.83 177.14 1meh n LYS 472 N -3.68 0.52 -1.62 2.24 5.02 0.03 -4.99 118.16 115.68 1meh n LYS 472 Ca -0.24 0.02 -0.47 0.00 -2.02 0.00 0.00 58.31 55.60 1meh n LYS 472 Cb 1.04 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 34.32 1meh n LYS 472 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1meh n ALA 473 N -2.09 0.01 -3.64 7.82 0.00 0.80 -4.98 120.51 118.43 1meh n ALA 473 Ca -0.00 0.44 -0.35 0.00 0.00 0.00 0.00 53.44 53.52 1meh n ALA 473 Cb 0.52 -2.12 -0.14 0.00 0.00 0.00 0.00 19.45 17.71 1meh n ALA 473 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1meh s LYS 474 N -0.52 2.65 -0.20 0.00 1.02 -1.26 -5.05 119.74 116.38 1meh s LYS 474 Ca 0.70 -1.12 -0.02 0.00 0.02 0.00 0.00 55.97 55.55 1meh s LYS 474 Cb -0.76 -3.11 -0.00 0.00 -0.52 0.00 0.00 37.83 33.44 1meh s LYS 474 CO 0.52 -0.51 -0.11 0.42 -0.92 0.00 0.00 175.35 174.75 1meh s ILE 475 N 1.30 2.90 0.03 2.17 1.01 -1.26 -1.12 121.20 126.23 1meh s ILE 475 Ca -0.02 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.01 1meh s ILE 475 Cb -0.18 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 1meh s ILE 475 CO -0.02 0.47 -0.10 0.28 0.00 0.00 0.00 174.94 175.57 1meh s THR 476 N 1.27 3.39 0.28 2.92 -1.32 -0.45 -4.98 115.64 116.75 1meh s THR 476 Ca 0.03 -0.94 -0.17 0.00 -1.21 0.00 0.00 61.69 59.39 1meh s THR 476 Cb -0.14 -2.48 -0.09 0.00 -1.51 0.00 0.00 72.50 68.28 1meh s THR 476 CO -0.05 0.34 0.74 -0.22 -2.21 0.00 0.00 174.62 173.23 1meh s LEU 477 N -1.52 4.18 0.08 9.08 2.96 -1.26 -1.55 118.68 130.65 1meh s LEU 477 Ca 0.17 1.37 0.05 0.00 -0.22 0.00 0.00 54.13 55.50 1meh s LEU 477 Cb -0.11 -3.89 -0.04 0.00 0.50 0.00 0.00 46.19 42.65 1meh s LEU 477 CO 0.08 -0.11 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.30 1meh s VAL 478 N -1.79 3.93 0.46 1.68 1.01 0.92 -4.92 120.40 121.70 1meh s VAL 478 Ca 0.50 -1.00 -0.23 0.00 0.00 0.00 0.00 61.98 61.26 1meh s VAL 478 Cb -0.13 -2.86 -0.07 0.00 0.00 0.00 0.00 36.38 33.31 1meh s VAL 478 CO 0.19 0.14 1.14 -0.94 0.00 0.00 0.00 175.10 175.63 1meh s SER 479 N -2.23 6.19 0.53 3.32 1.04 -1.26 -4.91 113.70 116.38 1meh s SER 479 Ca 0.25 2.25 0.26 0.00 0.48 0.00 0.00 55.95 59.19 1meh s SER 479 Cb -0.12 -2.60 1.50 0.00 0.10 0.00 0.00 66.02 64.91 1meh s SER 479 CO 0.17 -0.90 2.11 0.77 0.98 0.00 0.00 173.24 176.37 1meh h SER 480 N 1.98 0.00 -0.49 7.02 4.64 -1.99 -2.47 113.55 122.25 1meh h SER 480 Ca -0.49 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.70 1meh h SER 480 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1meh h SER 480 CO 0.60 0.09 -0.18 0.58 -0.87 0.00 0.00 176.83 177.06 1meh h VAL 481 N 0.00 1.27 0.00 0.95 2.07 -2.06 -2.55 116.25 115.92 1meh h VAL 481 Ca -0.00 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1meh h VAL 481 Cb 0.24 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1meh h VAL 481 CO 0.01 0.46 0.00 -1.54 0.02 0.00 0.00 177.57 176.53 1meh n SER 482 N -4.15 0.07 -0.87 0.57 3.41 -0.94 -5.29 113.62 106.43 1meh n SER 482 Ca 0.00 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.25 1meh n SER 482 Cb 0.44 -0.53 0.18 0.00 -0.26 0.00 0.00 64.21 64.04 1meh n SER 482 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50