#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajs s PRO 2 N 0.00 2.83 0.68 0.00 0.04 -1.26 -4.96 135.00 132.33 1ajs s PRO 2 Ca 0.00 1.97 -0.14 0.00 0.04 0.00 0.00 61.00 62.87 1ajs s PRO 2 Cb 0.00 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1ajs s PRO 2 CO 0.00 -1.36 1.11 -1.25 0.04 0.00 0.00 177.00 175.54 1ajs s PRO 3 N -3.29 2.72 0.50 0.56 0.04 -1.26 -4.98 135.00 129.29 1ajs s PRO 3 Ca 0.79 1.35 -0.23 0.00 0.04 0.00 0.00 61.00 62.95 1ajs s PRO 3 Cb -0.35 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.18 1ajs s PRO 3 CO 0.37 -1.31 1.25 0.45 0.04 0.00 0.00 177.00 177.80 1ajs n SER 4 N -2.60 2.28 0.05 6.66 2.88 -1.26 -4.86 113.62 116.76 1ajs n SER 4 Ca 0.10 1.01 0.08 0.00 -1.33 0.00 0.00 58.87 58.73 1ajs n SER 4 Cb 0.52 -1.51 0.35 0.00 -0.75 0.00 0.00 64.21 62.83 1ajs n SER 4 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1ajs n VAL 5 N -0.77 1.04 -0.29 2.46 0.24 -1.26 -2.00 118.33 117.74 1ajs n VAL 5 Ca 0.09 0.29 0.09 0.00 -2.04 0.00 0.00 64.34 62.77 1ajs n VAL 5 Cb 0.43 -1.13 0.25 0.00 -1.47 0.00 0.00 33.84 31.92 1ajs n VAL 5 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1ajs n PHE 6 N -1.77 0.76 0.10 6.34 3.72 -1.26 -4.69 117.46 120.66 1ajs n PHE 6 Ca 0.03 -0.50 0.10 0.00 -0.05 0.00 0.00 57.45 57.02 1ajs n PHE 6 Cb 0.17 -0.01 0.58 0.00 -0.94 0.00 0.00 39.48 39.27 1ajs n PHE 6 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ajs h ALA 7 N 3.32 2.03 -0.58 4.37 0.00 -1.77 -2.24 119.26 124.40 1ajs h ALA 7 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ajs h ALA 7 Cb 0.88 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ajs h ALA 7 CO 0.00 -0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.56 1ajs n GLU 8 N -4.49 2.63 -2.56 0.00 1.02 -1.26 -4.92 120.64 111.06 1ajs n GLU 8 Ca 0.03 -2.47 -0.43 0.00 -0.02 0.00 0.00 57.16 54.27 1ajs n GLU 8 Cb 0.22 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 1ajs n GLU 8 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ajs s VAL 9 N -1.17 4.49 0.54 2.62 1.01 -0.84 -5.00 120.40 122.04 1ajs s VAL 9 Ca 0.43 1.79 -0.13 0.00 0.00 0.00 0.00 61.98 64.08 1ajs s VAL 9 Cb 0.23 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 1ajs s VAL 9 CO 0.31 -0.06 0.96 -2.16 0.00 0.00 0.00 175.10 174.16 1ajs s PRO 10 N 2.60 3.77 0.01 2.72 0.04 -1.26 -5.02 135.00 137.87 1ajs s PRO 10 Ca 0.51 0.78 -0.30 0.00 0.04 0.00 0.00 61.00 62.02 1ajs s PRO 10 Cb -0.20 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 1ajs s PRO 10 CO 0.16 -0.35 1.29 -1.14 0.04 0.00 0.00 177.00 177.00 1ajs s GLN 11 N -4.50 4.34 0.55 4.56 2.00 -1.26 -5.00 119.66 120.35 1ajs s GLN 11 Ca 0.56 1.84 -0.19 0.00 -2.00 0.00 0.00 55.36 55.57 1ajs s GLN 11 Cb -0.10 -3.48 -0.06 0.00 0.80 0.00 0.00 33.01 30.16 1ajs s GLN 11 CO 0.41 -0.45 1.12 0.00 -0.50 0.00 0.00 175.29 175.87 1ajs s ALA 12 N 1.91 2.70 0.19 1.58 0.00 -1.26 -4.96 121.76 121.92 1ajs s ALA 12 Ca 0.60 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 53.06 1ajs s ALA 12 Cb -0.29 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.40 1ajs s ALA 12 CO 0.26 -0.76 1.11 -0.65 0.00 0.00 0.00 175.76 175.72 1ajs s GLN 13 N -3.33 4.59 0.59 0.00 -0.21 -1.26 -4.99 119.66 115.05 1ajs s GLN 13 Ca 0.72 1.75 -0.17 0.00 0.02 0.00 0.00 55.36 57.68 1ajs s GLN 13 Cb -0.23 -3.26 -0.03 0.00 1.00 0.00 0.00 33.01 30.48 1ajs s GLN 13 CO 0.27 0.07 1.10 -1.25 -2.12 0.00 0.00 175.29 173.37 1ajs s PRO 14 N -0.50 3.16 0.03 2.91 0.04 -1.26 -5.02 135.00 134.37 1ajs s PRO 14 Ca 0.49 1.44 -0.25 0.00 0.04 0.00 0.00 61.00 62.72 1ajs s PRO 14 Cb -0.30 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 1ajs s PRO 14 CO 0.36 -0.97 0.75 0.08 0.04 0.00 0.00 177.00 177.26 1ajs s VAL 15 N -2.12 4.77 0.14 -0.36 1.01 -1.26 -5.00 120.40 117.58 1ajs s VAL 15 Ca 0.69 1.60 -0.20 0.00 0.00 0.00 0.00 61.98 64.07 1ajs s VAL 15 Cb -0.21 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.08 1ajs s VAL 15 CO 0.34 0.35 1.68 0.25 0.00 0.00 0.00 175.10 177.73 1ajs h LEU 16 N 5.77 -0.32 -1.17 3.92 5.85 -2.01 -2.70 115.31 124.65 1ajs h LEU 16 Ca -0.44 0.09 0.14 0.00 0.84 0.00 0.00 57.88 58.51 1ajs h LEU 16 Cb 1.20 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 42.35 1ajs h LEU 16 CO 0.71 -0.12 0.60 -0.37 -0.34 0.00 0.00 178.44 178.92 1ajs h VAL 17 N -0.04 0.85 -0.42 1.05 -1.51 -1.98 -0.98 116.25 113.22 1ajs h VAL 17 Ca 0.13 -0.27 0.03 0.00 -1.23 0.00 0.00 66.70 65.35 1ajs h VAL 17 Cb 0.24 -0.02 -0.03 0.00 -2.13 0.00 0.00 31.29 29.34 1ajs h VAL 17 CO -0.28 0.15 0.22 -0.26 -1.23 0.00 0.00 177.57 176.16 1ajs h PHE 18 N 0.80 0.41 0.22 5.19 0.04 -1.90 -1.00 116.94 120.69 1ajs h PHE 18 Ca 0.48 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.25 1ajs h PHE 18 Cb 0.66 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1ajs h PHE 18 CO -0.00 0.21 -0.10 -0.22 -0.60 0.00 0.00 178.31 177.60 1ajs h LYS 19 N 0.44 -0.28 -0.69 1.51 3.11 -1.25 -2.30 116.57 117.11 1ajs h LYS 19 Ca 0.18 0.02 0.13 0.00 -2.81 0.00 0.00 60.65 58.17 1ajs h LYS 19 Cb 0.07 0.06 -0.09 0.00 -1.00 0.00 0.00 32.23 31.28 1ajs h LYS 19 CO -0.12 -0.11 0.22 1.25 -2.81 0.00 0.00 179.45 177.87 1ajs h LEU 20 N -0.39 0.13 -1.08 5.20 5.85 -1.02 0.19 115.31 124.20 1ajs h LEU 20 Ca -0.03 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1ajs h LEU 20 Cb 0.30 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1ajs h LEU 20 CO 0.05 0.05 -0.07 0.40 -0.34 0.00 0.00 178.44 178.53 1ajs h ILE 21 N 0.35 1.23 0.54 4.05 2.04 -1.12 -0.01 117.51 124.59 1ajs h ILE 21 Ca 0.37 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 1ajs h ILE 21 Cb 0.57 1.04 0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1ajs h ILE 21 CO -0.42 0.33 -0.26 0.00 0.00 0.00 0.00 178.15 177.80 1ajs h ALA 22 N 1.39 -0.73 -0.64 1.87 0.00 -0.29 -1.55 119.26 119.33 1ajs h ALA 22 Ca 0.10 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.97 1ajs h ALA 22 Cb 0.45 0.28 -0.12 0.00 0.00 0.00 0.00 17.79 18.40 1ajs h ALA 22 CO 0.02 -0.88 -0.19 -0.44 0.00 0.00 0.00 179.25 177.76 1ajs h ASP 23 N -0.79 -0.70 -0.11 0.00 3.32 -0.48 -0.46 116.42 117.21 1ajs h ASP 23 Ca -0.07 0.20 0.04 0.00 0.02 0.00 0.00 57.03 57.22 1ajs h ASP 23 Cb 0.58 0.43 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 1ajs h ASP 23 CO 0.12 -0.23 -0.16 0.15 -1.72 0.00 0.00 179.24 177.40 1ajs h PHE 24 N -0.03 -0.41 -0.86 4.55 3.57 -0.79 -1.79 116.94 121.18 1ajs h PHE 24 Ca 0.30 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.86 1ajs h PHE 24 Cb 0.49 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 1ajs h PHE 24 CO -0.55 -0.23 0.55 0.00 -2.23 0.00 0.00 178.31 175.85 1ajs h ARG 25 N -0.21 1.01 0.00 1.11 3.08 -0.40 -2.63 114.38 116.34 1ajs h ARG 25 Ca 0.09 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ajs h ARG 25 Cb 0.34 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1ajs h ARG 25 CO -0.23 0.67 0.00 0.39 -1.07 0.00 0.00 179.97 179.72 1ajs n GLU 26 N -4.57 0.21 -2.53 0.04 4.71 -0.27 -4.81 120.64 113.42 1ajs n GLU 26 Ca 0.11 0.31 -0.43 0.00 -0.01 0.00 0.00 57.16 57.15 1ajs n GLU 26 Cb 0.12 -1.82 -0.02 0.00 -1.01 0.00 0.00 31.44 28.71 1ajs n GLU 26 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1ajs s ASP 27 N -4.28 7.07 0.26 1.62 -1.08 -0.72 -4.96 116.67 114.58 1ajs s ASP 27 Ca 0.07 1.65 0.13 0.00 -0.52 0.00 0.00 52.55 53.88 1ajs s ASP 27 Cb 0.11 -2.55 0.15 0.00 -1.46 0.00 0.00 42.92 39.17 1ajs s ASP 27 CO 0.48 -0.62 1.48 -0.65 0.52 0.00 0.00 175.17 176.37 1ajs h PRO 28 N 7.60 0.00 -6.40 4.34 0.11 -1.87 -3.47 132.00 132.31 1ajs h PRO 28 Ca -0.29 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.22 1ajs h PRO 28 Cb 1.12 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.28 1ajs h PRO 28 CO 0.92 0.62 0.89 -3.47 -0.21 0.00 0.00 178.00 176.75 1ajs n ASP 29 N -3.37 3.12 0.16 -2.05 -0.08 -1.26 -4.88 116.55 108.19 1ajs n ASP 29 Ca 0.01 1.04 0.13 0.00 -1.51 0.00 0.00 54.79 54.46 1ajs n ASP 29 Cb 0.73 -1.39 0.57 0.00 2.34 0.00 0.00 41.12 43.37 1ajs n ASP 29 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ajs h PRO 30 N 7.08 0.00 0.00 -0.67 0.13 -2.02 -3.00 132.00 133.52 1ajs h PRO 30 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ajs h PRO 30 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ajs h PRO 30 CO 0.91 0.00 -0.47 0.54 -0.23 0.00 0.00 178.00 178.74 1ajs n ARG 31 N -2.35 0.05 -1.36 0.86 1.74 -1.26 -4.98 116.66 109.36 1ajs n ARG 31 Ca 0.01 0.01 -0.51 0.00 -0.77 0.00 0.00 57.85 56.59 1ajs n ARG 31 Cb 0.17 -1.53 -0.05 0.00 -1.02 0.00 0.00 32.46 30.03 1ajs n ARG 31 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ajs n LYS 32 N -1.60 0.00 -4.29 5.56 5.02 -1.14 -4.90 118.16 116.82 1ajs n LYS 32 Ca 0.05 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.14 1ajs n LYS 32 Cb 0.35 -1.20 -0.16 0.00 -0.02 0.00 0.00 35.03 34.00 1ajs n LYS 32 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ajs s VAL 33 N -0.40 0.68 -0.50 -0.18 1.01 0.21 -5.01 120.40 116.20 1ajs s VAL 33 Ca 0.74 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 62.36 1ajs s VAL 33 Cb -1.05 -0.65 0.12 0.00 0.00 0.00 0.00 36.38 34.80 1ajs s VAL 33 CO 0.53 0.24 0.41 0.21 0.00 0.00 0.00 175.10 176.49 1ajs s ASN 34 N 0.62 5.94 0.00 3.32 2.47 -1.26 -0.67 114.94 125.36 1ajs s ASN 34 Ca -0.09 -1.81 0.20 0.00 0.42 0.00 0.00 52.86 51.58 1ajs s ASN 34 Cb -0.12 -2.11 0.54 0.00 -1.45 0.00 0.00 41.25 38.10 1ajs s ASN 34 CO 0.01 -0.76 1.45 0.18 -3.72 0.00 0.00 177.10 174.26 1ajs n LEU 35 N 5.08 3.16 -0.74 3.21 4.77 0.25 -4.18 117.00 128.55 1ajs n LEU 35 Ca -0.11 -1.50 0.12 0.00 -0.03 0.00 0.00 56.01 54.49 1ajs n LEU 35 Cb 0.41 -0.34 0.20 0.00 -2.33 0.00 0.00 43.42 41.36 1ajs n LEU 35 CO 0.48 0.75 0.64 0.61 -1.33 0.00 0.00 177.39 178.54 1ajs n GLY 36 N 1.45 0.54 3.73 -0.72 0.00 -0.96 -0.87 105.19 108.36 1ajs n GLY 36 Ca 0.20 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 1ajs n GLY 36 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ajs n VAL 37 N 0.76 3.75 -1.08 1.61 3.14 -1.26 -4.97 118.33 120.29 1ajs n VAL 37 Ca 0.14 -0.50 0.07 0.00 -2.96 0.00 0.00 64.34 61.10 1ajs n VAL 37 Cb 0.51 -1.63 0.22 0.00 -1.06 0.00 0.00 33.84 31.88 1ajs n VAL 37 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ajs n GLY 38 N 0.79 4.38 3.40 7.55 0.00 -1.26 -4.63 105.19 115.42 1ajs n GLY 38 Ca 0.10 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 1ajs n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajs s ALA 39 N -2.90 0.47 0.45 4.61 0.00 -1.26 -5.14 121.76 117.98 1ajs s ALA 39 Ca 0.40 -1.29 -0.25 0.00 0.00 0.00 0.00 51.96 50.82 1ajs s ALA 39 Cb 0.33 1.23 -0.08 0.00 0.00 0.00 0.00 23.12 24.60 1ajs s ALA 39 CO 0.06 -0.73 1.33 -0.47 0.00 0.00 0.00 175.76 175.95 1ajs s TYR 40 N -4.06 2.64 -0.02 0.00 5.04 -1.26 -4.88 117.35 114.82 1ajs s TYR 40 Ca 0.31 1.38 -0.04 0.00 -2.44 0.00 0.00 57.07 56.27 1ajs s TYR 40 Cb 0.03 -3.72 0.00 0.00 0.35 0.00 0.00 41.96 38.62 1ajs s TYR 40 CO 0.11 -2.38 0.09 1.03 -1.34 0.00 0.00 175.55 173.06 1ajs s ARG 41 N -2.46 0.28 1.00 4.97 1.81 -1.26 -4.43 118.95 118.86 1ajs s ARG 41 Ca 0.61 -0.17 -0.17 0.00 -1.72 0.00 0.00 55.73 54.28 1ajs s ARG 41 Cb -0.39 0.12 0.23 0.00 -0.45 0.00 0.00 34.95 34.45 1ajs s ARG 41 CO 0.49 -0.05 1.34 0.95 -0.68 0.00 0.00 175.30 177.34 1ajs s THR 42 N -0.70 1.98 -0.37 0.02 -4.23 0.35 -4.86 115.64 107.82 1ajs s THR 42 Ca -0.08 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.66 1ajs s THR 42 Cb -0.05 -2.97 0.24 0.00 1.34 0.00 0.00 72.50 71.06 1ajs s THR 42 CO 0.00 0.00 1.69 -0.67 -0.54 0.00 0.00 174.62 175.11 1ajs n ASP 43 N -3.90 0.64 -1.53 3.99 2.03 -1.26 -0.60 116.55 115.91 1ajs n ASP 43 Ca 0.16 0.70 0.10 0.00 0.52 0.00 0.00 54.79 56.28 1ajs n ASP 43 Cb 0.59 -0.82 0.35 0.00 -0.72 0.00 0.00 41.12 40.52 1ajs n ASP 43 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ajs n ASP 44 N -2.25 4.60 -1.86 1.67 8.00 -1.26 -4.60 116.55 120.84 1ajs n ASP 44 Ca 0.01 -2.36 -0.17 0.00 0.71 0.00 0.00 54.79 52.98 1ajs n ASP 44 Cb 0.16 -0.56 -0.02 0.00 -0.02 0.00 0.00 41.12 40.68 1ajs n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ajs s GLN 46 N -4.59 2.26 0.73 0.00 -1.52 -1.26 -4.81 119.66 110.46 1ajs s GLN 46 Ca 0.00 -1.23 -0.15 0.00 -1.95 0.00 0.00 55.36 52.03 1ajs s GLN 46 Cb 0.00 -2.24 0.04 0.00 -0.22 0.00 0.00 33.01 30.58 1ajs s GLN 46 CO 0.00 0.43 1.20 -2.14 -0.25 0.00 0.00 175.29 174.53 1ajs s PRO 47 N -3.06 2.18 -0.14 2.91 0.02 -1.26 -0.49 135.00 135.15 1ajs s PRO 47 Ca 0.27 1.73 -0.00 0.00 0.02 0.00 0.00 61.00 63.02 1ajs s PRO 47 Cb -0.08 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.63 1ajs s PRO 47 CO 0.18 -1.80 -0.08 -0.46 -0.33 0.00 0.00 177.00 174.51 1ajs s TRP 48 N -2.01 1.76 -0.25 6.54 -0.00 -1.26 -4.79 118.94 118.92 1ajs s TRP 48 Ca 0.74 -1.01 -0.19 0.00 -0.00 0.00 0.00 56.10 55.64 1ajs s TRP 48 Cb -0.28 -1.36 -0.03 0.00 -0.00 0.00 0.00 33.47 31.80 1ajs s TRP 48 CO 0.45 -0.60 0.55 0.08 -0.00 0.00 0.00 176.95 177.43 1ajs s VAL 49 N 1.62 5.05 0.33 5.86 1.01 -1.26 -4.91 120.40 128.10 1ajs s VAL 49 Ca 0.03 0.96 -0.29 0.00 0.00 0.00 0.00 61.98 62.68 1ajs s VAL 49 Cb -0.14 -3.86 -0.12 0.00 0.00 0.00 0.00 36.38 32.27 1ajs s VAL 49 CO -0.08 0.08 1.51 0.18 0.00 0.00 0.00 175.10 176.78 1ajs n LEU 50 N 5.50 4.36 -0.36 3.92 4.32 -1.26 -4.84 117.00 128.63 1ajs n LEU 50 Ca -0.03 1.19 0.08 0.00 -0.02 0.00 0.00 56.01 57.22 1ajs n LEU 50 Cb 0.50 -1.58 0.25 0.00 -1.62 0.00 0.00 43.42 40.96 1ajs n LEU 50 CO 0.41 0.05 1.22 -0.65 -1.22 0.00 0.00 177.39 177.20 1ajs h PRO 51 N 3.79 0.92 -0.34 3.23 0.11 -1.97 -0.29 132.00 137.44 1ajs h PRO 51 Ca -0.48 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.50 1ajs h PRO 51 Cb 1.24 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1ajs h PRO 51 CO 0.71 0.61 -0.12 -0.24 -0.21 0.00 0.00 178.00 178.75 1ajs h VAL 52 N 0.94 1.24 -0.06 3.15 3.04 -1.90 -1.86 116.25 120.80 1ajs h VAL 52 Ca 0.51 -1.07 -0.01 0.00 -1.01 0.00 0.00 66.70 65.13 1ajs h VAL 52 Cb 0.56 1.11 -0.00 0.00 -2.01 0.00 0.00 31.29 30.95 1ajs h VAL 52 CO -0.29 0.35 0.02 0.58 -1.01 0.00 0.00 177.57 177.22 1ajs h VAL 53 N 0.54 1.19 -0.83 1.51 2.07 -1.45 -0.03 116.25 119.25 1ajs h VAL 53 Ca 0.10 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 67.10 1ajs h VAL 53 Cb 0.52 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 1ajs h VAL 53 CO 0.03 0.16 0.51 0.03 0.02 0.00 0.00 177.57 178.32 1ajs h ARG 54 N -0.11 0.89 -0.13 1.57 3.08 -1.13 0.53 114.38 119.08 1ajs h ARG 54 Ca 0.02 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1ajs h ARG 54 Cb 0.24 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1ajs h ARG 54 CO 0.00 0.59 0.08 -0.22 -1.07 0.00 0.00 179.97 179.35 1ajs h LYS 55 N 0.92 0.18 -0.59 0.04 3.64 -1.03 -2.29 116.57 117.44 1ajs h LYS 55 Ca 0.37 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.62 1ajs h LYS 55 Cb 0.19 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1ajs h LYS 55 CO -0.18 0.16 -0.04 0.28 -2.27 0.00 0.00 179.45 177.40 1ajs h VAL 56 N 0.14 1.27 -0.75 2.00 2.07 -0.62 -2.04 116.25 118.32 1ajs h VAL 56 Ca 0.05 -1.21 0.05 0.00 0.82 0.00 0.00 66.70 66.41 1ajs h VAL 56 Cb 0.03 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1ajs h VAL 56 CO -0.01 0.43 0.49 -0.33 0.02 0.00 0.00 177.57 178.18 1ajs h GLU 57 N 0.97 0.82 -0.35 1.57 5.08 -0.74 0.25 114.58 122.17 1ajs h GLU 57 Ca 0.16 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 1ajs h GLU 57 Cb 0.61 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1ajs h GLU 57 CO 0.04 0.54 -0.45 0.37 -1.00 0.00 0.00 179.01 178.51 1ajs h GLN 58 N 0.84 0.92 -0.74 2.33 5.75 -1.07 -0.06 115.11 123.08 1ajs h GLN 58 Ca 0.31 -0.52 -0.06 0.00 -0.15 0.00 0.00 58.65 58.23 1ajs h GLN 58 Cb 0.16 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 1ajs h GLN 58 CO -0.10 1.17 0.23 0.00 -2.65 0.00 0.00 178.83 177.48 1ajs h ARG 59 N 0.73 1.16 -0.20 1.69 3.08 -0.60 -1.51 114.38 118.73 1ajs h ARG 59 Ca 0.04 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 1ajs h ARG 59 Cb 1.05 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1ajs h ARG 59 CO 0.11 0.98 -0.01 0.82 -1.07 0.00 0.00 179.97 180.80 1ajs h ILE 60 N 1.11 1.26 -0.67 2.04 2.04 -0.30 -2.52 117.51 120.48 1ajs h ILE 60 Ca 0.24 -0.92 0.11 0.00 1.00 0.00 0.00 64.86 65.29 1ajs h ILE 60 Cb 0.31 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 1ajs h ILE 60 CO -0.01 0.28 0.45 0.00 0.00 0.00 0.00 178.15 178.87 1ajs h ALA 61 N 0.77 1.98 -0.57 1.87 0.00 -0.66 -0.65 119.26 122.00 1ajs h ALA 61 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ajs h ALA 61 Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ajs h ALA 61 CO 0.01 -0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.22 1ajs n ASN 62 N -4.48 3.64 -4.31 0.00 3.02 -0.60 -4.79 115.26 107.74 1ajs n ASN 62 Ca 0.11 -2.19 -0.41 0.00 -0.03 0.00 0.00 54.58 52.07 1ajs n ASN 62 Cb 0.39 -0.47 -0.10 0.00 -0.61 0.00 0.00 39.78 39.00 1ajs n ASN 62 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ajs s ASN 63 N -0.91 5.73 0.00 6.41 3.04 -0.25 -4.93 114.94 124.03 1ajs s ASN 63 Ca 0.41 -1.34 0.24 0.00 0.04 0.00 0.00 52.86 52.21 1ajs s ASN 63 Cb 0.24 -2.02 1.08 0.00 -1.54 0.00 0.00 41.25 39.01 1ajs s ASN 63 CO 0.24 -0.51 1.77 -1.54 -3.04 0.00 0.00 177.10 174.02 1ajs n SER 64 N 4.98 0.00 0.16 -4.21 3.41 -1.26 -3.08 113.62 113.62 1ajs n SER 64 Ca -0.11 0.30 0.12 0.00 -0.26 0.00 0.00 58.87 58.92 1ajs n SER 64 Cb 0.44 -0.42 0.26 0.00 -0.26 0.00 0.00 64.21 64.22 1ajs n SER 64 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ajs h SER 65 N 0.00 0.00 -3.76 4.04 4.64 -1.96 -3.46 113.55 113.05 1ajs h SER 65 Ca 0.00 -0.01 -0.49 0.00 -0.47 0.00 0.00 61.79 60.82 1ajs h SER 65 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1ajs h SER 65 CO 0.00 0.00 0.33 -0.76 -0.87 0.00 0.00 176.83 175.54 1ajs s LEU 66 N -5.43 4.56 0.00 5.97 1.43 -1.18 -5.07 118.68 118.97 1ajs s LEU 66 Ca 0.08 1.89 0.01 0.00 -1.03 0.00 0.00 54.13 55.08 1ajs s LEU 66 Cb 0.08 -3.69 -0.00 0.00 0.03 0.00 0.00 46.19 42.61 1ajs s LEU 66 CO 0.65 0.10 0.04 -0.46 0.23 0.00 0.00 176.35 176.91 1ajs n ASN 67 N 1.24 1.75 -0.48 2.29 0.23 -1.26 -5.07 115.26 113.96 1ajs n ASN 67 Ca -0.01 -2.00 0.07 0.00 -0.53 0.00 0.00 54.58 52.11 1ajs n ASN 67 Cb 0.48 0.34 0.19 0.00 -2.08 0.00 0.00 39.78 38.70 1ajs n ASN 67 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1ajs n HIS 68 N -0.48 0.16 -2.16 -2.53 8.25 -1.26 -5.05 115.22 112.15 1ajs n HIS 68 Ca -0.06 -1.29 -0.35 0.00 -0.26 0.00 0.00 57.72 55.77 1ajs n HIS 68 Cb 0.28 -0.24 0.01 0.00 1.12 0.00 0.00 29.99 31.17 1ajs n HIS 68 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1ajs s GLU 69 N -3.08 3.22 0.25 -0.41 0.41 -1.26 -4.92 118.70 112.90 1ajs s GLU 69 Ca 0.37 1.64 -0.29 0.00 -0.41 0.00 0.00 54.97 56.28 1ajs s GLU 69 Cb 0.34 -1.98 -0.15 0.00 -1.78 0.00 0.00 34.13 30.56 1ajs s GLU 69 CO -0.02 -0.97 0.89 0.66 -0.49 0.00 0.00 175.26 175.34 1ajs n TYR 70 N -1.47 0.80 -2.11 1.61 4.01 -1.26 -4.99 117.16 113.75 1ajs n TYR 70 Ca 0.12 0.78 -0.28 0.00 -0.16 0.00 0.00 57.90 58.35 1ajs n TYR 70 Cb 0.51 -2.17 0.05 0.00 -0.31 0.00 0.00 39.34 37.41 1ajs n TYR 70 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ajs s LEU 71 N 1.14 2.98 0.82 7.72 1.43 -1.26 -5.03 118.68 126.47 1ajs s LEU 71 Ca 0.62 0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 54.46 1ajs s LEU 71 Cb -0.78 -3.63 0.09 0.00 0.03 0.00 0.00 46.19 41.90 1ajs s LEU 71 CO 0.58 -1.32 1.17 -2.84 0.23 0.00 0.00 176.35 174.18 1ajs s PRO 72 N -5.23 1.60 0.24 1.29 0.02 -1.26 -4.84 135.00 126.82 1ajs s PRO 72 Ca 0.57 1.63 -0.05 0.00 0.02 0.00 0.00 61.00 63.17 1ajs s PRO 72 Cb -0.11 -1.78 0.42 0.00 0.02 0.00 0.00 34.50 33.05 1ajs s PRO 72 CO 0.48 -2.22 1.73 0.82 -0.33 0.00 0.00 177.00 177.49 1ajs h ILE 73 N -1.11 0.68 0.00 2.83 2.04 -1.96 -0.77 117.51 119.22 1ajs h ILE 73 Ca -0.45 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1ajs h ILE 73 Cb 1.28 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1ajs h ILE 73 CO 0.46 0.08 0.00 0.18 0.00 0.00 0.00 178.15 178.87 1ajs n LEU 74 N -5.00 0.00 0.00 1.44 4.77 -1.26 -4.39 117.00 112.56 1ajs n LEU 74 Ca 0.13 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1ajs n LEU 74 Cb 0.39 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1ajs n LEU 74 CO 0.19 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1ajs n GLY 75 N 1.28 -1.84 3.64 -0.72 0.00 -0.29 -0.31 105.19 106.95 1ajs n GLY 75 Ca 0.09 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1ajs n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ajs s LEU 76 N 0.00 4.12 0.19 0.99 2.96 -1.26 -4.42 118.68 121.26 1ajs s LEU 76 Ca 0.00 2.18 -0.12 0.00 -0.22 0.00 0.00 54.13 55.96 1ajs s LEU 76 Cb 0.00 -3.53 0.20 0.00 0.50 0.00 0.00 46.19 43.36 1ajs s LEU 76 CO 0.00 -1.20 1.73 0.00 -1.32 0.00 0.00 176.35 175.55 1ajs h ALA 77 N 11.00 0.60 -0.85 5.97 0.00 -1.98 -1.81 119.26 132.19 1ajs h ALA 77 Ca -0.42 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1ajs h ALA 77 Cb 1.20 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1ajs h ALA 77 CO 0.96 -0.27 0.51 1.05 0.00 0.00 0.00 179.25 181.50 1ajs h GLU 78 N 0.29 1.15 -0.03 0.00 9.09 -1.99 -2.09 114.58 121.00 1ajs h GLU 78 Ca 0.25 -0.10 -0.00 0.00 0.05 0.00 0.00 59.36 59.56 1ajs h GLU 78 Cb 0.32 -0.24 -0.00 0.00 -1.65 0.00 0.00 28.75 27.18 1ajs h GLU 78 CO -0.30 0.81 0.01 0.35 0.05 0.00 0.00 179.01 179.92 1ajs h PHE 79 N 1.17 0.06 -0.93 2.06 3.57 -1.68 -1.12 116.94 120.07 1ajs h PHE 79 Ca 0.30 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.86 1ajs h PHE 79 Cb -0.04 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.62 1ajs h PHE 79 CO 0.01 0.30 0.59 0.00 -2.23 0.00 0.00 178.31 176.97 1ajs h ARG 80 N -0.20 1.04 0.01 1.11 3.08 -1.01 0.18 114.38 118.59 1ajs h ARG 80 Ca 0.01 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1ajs h ARG 80 Cb 0.27 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1ajs h ARG 80 CO 0.00 0.69 -0.00 1.15 -1.07 0.00 0.00 179.97 180.73 1ajs h THR 81 N 1.07 1.32 -0.77 2.04 2.02 -1.36 -2.08 112.91 115.16 1ajs h THR 81 Ca 0.40 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1ajs h THR 81 Cb 0.18 2.01 -0.04 0.00 -1.74 0.00 0.00 68.15 68.56 1ajs h THR 81 CO -0.18 0.26 0.46 0.00 0.37 0.00 0.00 175.52 176.43 1ajs h ALA 83 N 1.24 0.37 -0.69 0.00 0.00 -0.64 0.06 119.26 119.61 1ajs h ALA 83 Ca 0.27 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1ajs h ALA 83 Cb -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1ajs h ALA 83 CO -0.05 -0.07 0.25 0.77 0.00 0.00 0.00 179.25 180.15 1ajs h SER 84 N 0.33 0.97 -0.71 0.00 0.02 -1.22 -2.53 113.55 110.41 1ajs h SER 84 Ca 0.10 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 1ajs h SER 84 Cb 0.12 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 1ajs h SER 84 CO -0.01 0.89 0.28 -0.09 -1.14 0.00 0.00 176.83 176.77 1ajs h ARG 85 N 0.99 1.08 -0.66 3.45 2.43 -1.03 -0.55 114.38 120.08 1ajs h ARG 85 Ca 0.23 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1ajs h ARG 85 Cb 0.25 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1ajs h ARG 85 CO -0.01 0.88 0.37 1.25 -1.51 0.00 0.00 179.97 180.95 1ajs h LEU 86 N 1.05 0.82 -0.12 3.80 5.85 -0.62 0.98 115.31 127.08 1ajs h LEU 86 Ca 0.24 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1ajs h LEU 86 Cb 0.21 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1ajs h LEU 86 CO -0.02 0.67 -0.21 0.00 -0.34 0.00 0.00 178.44 178.54 1ajs h ALA 87 N 1.18 0.18 0.00 1.25 0.00 -1.20 -3.36 119.26 117.32 1ajs h ALA 87 Ca 0.23 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1ajs h ALA 87 Cb 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ajs h ALA 87 CO -0.04 0.13 -0.91 -0.07 0.00 0.00 0.00 179.25 178.36 1ajs h LEU 88 N -0.07 0.00 0.00 0.00 3.38 -1.00 -3.44 115.31 114.18 1ajs h LEU 88 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ajs h LEU 88 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1ajs h LEU 88 CO 0.05 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.35 1ajs n GLY 89 N 1.22 0.63 0.37 0.83 0.00 0.33 -4.26 105.19 104.31 1ajs n GLY 89 Ca -0.01 -1.53 0.08 0.00 0.00 0.00 0.00 46.02 44.56 1ajs n GLY 89 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ajs h ASP 90 N 0.00 0.77 -0.24 1.61 5.19 -1.95 -2.06 116.42 119.75 1ajs h ASP 90 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1ajs h ASP 90 Cb 0.00 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.38 1ajs h ASP 90 CO 0.00 0.44 0.00 -0.90 -3.12 0.00 0.00 179.24 175.66 1ajs n ASP 91 N -4.54 1.48 -4.64 6.45 5.75 -1.26 -4.84 116.55 114.95 1ajs n ASP 91 Ca 0.16 -1.90 -0.48 0.00 -0.01 0.00 0.00 54.79 52.56 1ajs n ASP 91 Cb 0.34 -0.16 -0.05 0.00 -1.03 0.00 0.00 41.12 40.22 1ajs n ASP 91 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1ajs n SER 92 N 0.27 2.55 -0.12 -1.12 2.88 -0.78 -4.87 113.62 112.45 1ajs n SER 92 Ca 0.11 1.10 0.07 0.00 -1.33 0.00 0.00 58.87 58.83 1ajs n SER 92 Cb 0.25 -1.35 0.40 0.00 -0.75 0.00 0.00 64.21 62.77 1ajs n SER 92 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ajs h PRO 93 N 5.22 0.61 -0.56 -1.46 0.13 -1.92 -1.79 132.00 132.24 1ajs h PRO 93 Ca -0.46 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 1ajs h PRO 93 Cb 1.28 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1ajs h PRO 93 CO 0.83 0.41 0.02 0.00 -0.23 0.00 0.00 178.00 179.03 1ajs h ALA 94 N 1.66 0.97 -0.27 -0.56 0.00 -1.93 -0.08 119.26 119.05 1ajs h ALA 94 Ca 0.26 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1ajs h ALA 94 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ajs h ALA 94 CO -0.08 0.63 -0.21 -0.07 0.00 0.00 0.00 179.25 179.52 1ajs h LEU 95 N 0.88 0.66 -1.52 0.00 3.38 -1.75 -0.79 115.31 116.16 1ajs h LEU 95 Ca 0.17 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1ajs h LEU 95 Cb 0.49 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1ajs h LEU 95 CO 0.02 0.97 -0.09 1.56 0.09 0.00 0.00 178.44 180.98 1ajs h GLN 96 N 0.35 0.19 -0.35 1.13 4.20 -1.11 -1.98 115.11 117.55 1ajs h GLN 96 Ca 0.05 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1ajs h GLN 96 Cb 0.76 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1ajs h GLN 96 CO 0.06 0.30 0.00 0.39 -0.67 0.00 0.00 178.83 178.90 1ajs n GLU 97 N -4.33 1.97 -3.79 1.46 1.02 -0.06 -4.94 120.64 111.97 1ajs n GLU 97 Ca -0.01 -1.50 -0.27 0.00 -0.02 0.00 0.00 57.16 55.36 1ajs n GLU 97 Cb 0.23 -1.38 0.04 0.00 -0.02 0.00 0.00 31.44 30.32 1ajs n GLU 97 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ajs n LYS 98 N 0.71 -6.18 -1.78 3.49 4.01 -0.74 -4.67 118.16 112.99 1ajs n LYS 98 Ca 0.16 0.67 -0.21 0.00 -0.51 0.00 0.00 58.31 58.42 1ajs n LYS 98 Cb 0.38 -5.58 0.05 0.00 -0.51 0.00 0.00 35.03 29.37 1ajs n LYS 98 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 1ajs n ARG 99 N -4.71 3.28 -4.74 1.97 1.85 -0.34 -4.43 116.66 109.55 1ajs n ARG 99 Ca -0.02 -3.99 -0.24 0.00 -1.00 0.00 0.00 57.85 52.61 1ajs n ARG 99 Cb 0.56 -2.20 -0.15 0.00 -1.05 0.00 0.00 32.46 29.62 1ajs n ARG 99 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1ajs s VAL 100 N -4.43 1.28 0.11 8.89 1.01 -1.26 -1.61 120.40 124.39 1ajs s VAL 100 Ca 0.50 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.81 1ajs s VAL 100 Cb 0.41 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1ajs s VAL 100 CO 0.02 0.34 -0.12 -0.83 0.00 0.00 0.00 175.10 174.51 1ajs s GLY 101 N -0.44 0.97 -0.01 4.51 0.00 -0.13 -4.97 107.32 107.25 1ajs s GLY 101 Ca 0.06 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1ajs s GLY 101 CO -0.00 -1.34 0.00 -0.32 0.00 0.00 0.00 173.10 171.44 1ajs s GLY 102 N -2.53 0.07 -0.19 0.20 0.00 -1.26 -0.06 107.32 103.55 1ajs s GLY 102 Ca 0.08 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1ajs s GLY 102 CO 0.01 0.22 -0.18 0.14 0.00 0.00 0.00 173.10 173.30 1ajs s VAL 103 N 0.36 2.23 0.28 1.40 1.01 0.17 -4.94 120.40 120.92 1ajs s VAL 103 Ca -0.03 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 1ajs s VAL 103 Cb -0.05 -1.95 -0.10 0.00 0.00 0.00 0.00 36.38 34.28 1ajs s VAL 103 CO -0.01 0.52 1.45 -1.58 0.00 0.00 0.00 175.10 175.48 1ajs s GLN 104 N 1.31 4.24 0.24 2.72 0.74 0.58 -0.60 119.66 128.89 1ajs s GLN 104 Ca 0.05 2.37 -0.00 0.00 0.05 0.00 0.00 55.36 57.82 1ajs s GLN 104 Cb -0.13 -3.07 -0.03 0.00 1.10 0.00 0.00 33.01 30.87 1ajs s GLN 104 CO -0.12 -0.44 0.22 -1.54 -0.55 0.00 0.00 175.29 172.87 1ajs s SER 105 N 0.20 0.50 -1.19 6.67 1.04 -0.32 -4.77 113.70 115.83 1ajs s SER 105 Ca 0.58 -1.43 -0.19 0.00 0.48 0.00 0.00 55.95 55.39 1ajs s SER 105 Cb -0.43 0.46 0.08 0.00 0.10 0.00 0.00 66.02 66.22 1ajs s SER 105 CO 0.48 -0.95 1.59 -0.76 0.98 0.00 0.00 173.24 174.58 1ajs s LEU 106 N -3.20 3.93 0.00 2.42 2.01 -1.26 -1.36 118.68 121.22 1ajs s LEU 106 Ca 0.37 -2.20 0.00 0.00 0.01 0.00 0.00 54.13 52.31 1ajs s LEU 106 Cb 0.05 -2.55 0.00 0.00 0.01 0.00 0.00 46.19 43.70 1ajs s LEU 106 CO 0.16 -1.22 0.00 0.61 1.01 0.00 0.00 176.35 176.91 1ajs n GLY 107 N 5.70 -1.47 0.27 -3.19 0.00 -0.93 -0.59 105.19 104.98 1ajs n GLY 107 Ca 0.42 -1.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.25 1ajs n GLY 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ajs h GLY 108 N -0.22 0.69 0.81 -0.02 0.00 -1.77 -2.50 103.07 100.05 1ajs h GLY 108 Ca 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 46.90 1ajs h GLY 108 CO 0.00 0.42 -0.06 -0.84 0.00 0.00 0.00 176.54 176.06 1ajs h THR 109 N 0.60 0.84 -0.93 4.70 2.02 -1.92 -1.27 112.91 116.95 1ajs h THR 109 Ca 0.12 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.33 1ajs h THR 109 Cb 0.42 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 1ajs h THR 109 CO 0.02 0.00 0.61 1.23 0.37 0.00 0.00 175.52 177.75 1ajs h GLY 110 N -0.08 1.35 0.97 2.16 0.00 -0.69 -0.52 103.07 106.27 1ajs h GLY 110 Ca 0.04 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1ajs h GLY 110 CO -0.08 0.41 0.24 0.00 0.00 0.00 0.00 176.54 177.10 1ajs h ALA 111 N 1.38 0.55 -0.61 3.60 0.00 -1.12 -1.02 119.26 122.03 1ajs h ALA 111 Ca 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1ajs h ALA 111 Cb -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1ajs h ALA 111 CO -0.11 0.07 0.33 -0.07 0.00 0.00 0.00 179.25 179.47 1ajs h LEU 112 N 0.56 0.77 -0.23 0.00 3.38 -0.98 -1.73 115.31 117.08 1ajs h LEU 112 Ca 0.15 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1ajs h LEU 112 Cb 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1ajs h LEU 112 CO -0.02 0.65 0.09 -0.09 0.09 0.00 0.00 178.44 179.16 1ajs h ARG 113 N 0.83 0.34 -0.54 1.13 9.65 -0.75 -0.52 114.38 124.53 1ajs h ARG 113 Ca 0.21 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 59.01 1ajs h ARG 113 Cb 0.06 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 1ajs h ARG 113 CO -0.03 0.39 0.24 0.82 2.80 0.00 0.00 179.97 184.19 1ajs h ILE 114 N 0.22 1.21 -0.16 1.20 1.08 -1.15 -0.53 117.51 119.38 1ajs h ILE 114 Ca 0.08 -0.61 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1ajs h ILE 114 Cb 0.18 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 1ajs h ILE 114 CO -0.01 0.24 0.10 1.23 -0.69 0.00 0.00 178.15 179.02 1ajs h GLY 115 N 0.72 0.22 1.00 5.37 0.00 -1.16 -1.02 103.07 108.21 1ajs h GLY 115 Ca 0.18 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 1ajs h GLY 115 CO -0.02 0.08 0.39 0.00 0.00 0.00 0.00 176.54 176.99 1ajs h ALA 116 N 1.05 0.82 -0.77 3.60 0.00 -0.94 -1.14 119.26 121.89 1ajs h ALA 116 Ca 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ajs h ALA 116 Cb -0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1ajs h ALA 116 CO -0.01 0.30 0.48 0.93 0.00 0.00 0.00 179.25 180.94 1ajs h GLU 117 N 0.88 1.03 0.04 0.00 4.39 -0.91 -1.22 114.58 118.80 1ajs h GLU 117 Ca 0.23 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1ajs h GLU 117 Cb -0.03 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.40 1ajs h GLU 117 CO -0.04 0.72 -0.02 0.35 -1.16 0.00 0.00 179.01 178.85 1ajs h PHE 118 N 1.05 -0.06 -0.93 4.33 3.04 -0.82 -3.03 116.94 120.52 1ajs h PHE 118 Ca 0.28 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.28 1ajs h PHE 118 Cb -0.06 0.02 -0.06 0.00 2.56 0.00 0.00 35.95 38.41 1ajs h PHE 118 CO -0.01 0.09 0.60 -0.07 -2.02 0.00 0.00 178.31 176.89 1ajs h LEU 119 N -0.19 0.97 -1.33 0.59 3.38 -0.98 -0.23 115.31 117.52 1ajs h LEU 119 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ajs h LEU 119 Cb 0.17 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1ajs h LEU 119 CO 0.01 0.64 0.00 0.00 0.09 0.00 0.00 178.44 179.18 1ajs h ALA 120 N 1.41 1.00 0.00 1.53 0.00 -1.13 -2.20 119.26 119.86 1ajs h ALA 120 Ca 0.39 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 55.04 1ajs h ALA 120 Cb 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1ajs h ALA 120 CO -0.15 0.00 -1.97 0.54 0.00 0.00 0.00 179.25 177.67 1ajs n ARG 121 N -2.48 0.67 0.00 0.00 1.74 -0.67 -3.04 116.66 112.88 1ajs n ARG 121 Ca 0.00 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1ajs n ARG 121 Cb 0.16 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 1ajs n ARG 121 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1ajs n TRP 122 N -2.92 0.00 -4.16 -1.55 7.02 -0.19 0.07 117.44 115.72 1ajs n TRP 122 Ca -0.29 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 55.84 1ajs n TRP 122 Cb 0.84 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.65 1ajs n TRP 122 CO 0.00 0.00 0.00 -0.47 -2.02 0.00 0.00 177.69 175.20 1ajs s TYR 123 N -0.02 3.29 -1.33 -5.99 5.04 -0.83 -4.53 117.35 112.97 1ajs s TYR 123 Ca 0.00 0.22 -0.08 0.00 -2.44 0.00 0.00 57.07 54.78 1ajs s TYR 123 Cb 0.00 -1.91 0.01 0.00 0.35 0.00 0.00 41.96 40.41 1ajs s TYR 123 CO 0.00 0.43 1.16 -1.71 -1.34 0.00 0.00 175.55 174.09 1ajs n ASN 124 N 2.53 -5.65 0.00 4.32 4.05 -1.26 -4.57 115.26 114.68 1ajs n ASN 124 Ca -0.18 -0.56 0.00 0.00 0.45 0.00 0.00 54.58 54.29 1ajs n ASN 124 Cb 0.54 -5.04 0.00 0.00 1.23 0.00 0.00 39.78 36.50 1ajs n ASN 124 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ajs n GLY 125 N -1.87 -0.37 3.51 8.20 0.00 -1.26 -4.78 105.19 108.63 1ajs n GLY 125 Ca -0.04 -2.24 -0.35 0.00 0.00 0.00 0.00 46.02 43.39 1ajs n GLY 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ajs s THR 126 N -0.08 4.38 -1.37 2.61 2.01 -1.26 -4.23 115.64 117.70 1ajs s THR 126 Ca 0.00 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.82 1ajs s THR 126 Cb 0.00 -3.00 0.01 0.00 0.01 0.00 0.00 72.50 69.52 1ajs s THR 126 CO 0.00 0.41 0.65 0.59 -0.69 0.00 0.00 174.62 175.58 1ajs n ASN 127 N 4.23 -1.36 -4.43 3.53 3.02 0.11 -4.92 115.26 115.44 1ajs n ASN 127 Ca -0.16 -0.87 -0.44 0.00 -0.03 0.00 0.00 54.58 53.08 1ajs n ASN 127 Cb 0.52 -3.74 -0.09 0.00 -0.61 0.00 0.00 39.78 35.87 1ajs n ASN 127 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ajs s ASN 128 N -4.23 6.13 0.00 6.41 3.84 -1.17 -4.87 114.94 121.05 1ajs s ASN 128 Ca 0.09 -1.08 0.25 0.00 0.21 0.00 0.00 52.86 52.33 1ajs s ASN 128 Cb -0.05 -2.18 0.39 0.00 -0.55 0.00 0.00 41.25 38.86 1ajs s ASN 128 CO 0.84 -0.55 1.37 0.29 -2.79 0.00 0.00 177.10 176.26 1ajs n LYS 129 N 5.21 2.20 0.00 0.43 4.01 -1.26 -4.21 118.16 124.54 1ajs n LYS 129 Ca -0.11 -1.74 0.12 0.00 -0.51 0.00 0.00 58.31 56.06 1ajs n LYS 129 Cb 0.46 -1.47 0.18 0.00 -0.51 0.00 0.00 35.03 33.69 1ajs n LYS 129 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1ajs n ASP 130 N 1.11 0.59 -4.71 4.39 8.00 -1.26 -1.95 116.55 122.72 1ajs n ASP 130 Ca 0.15 -0.36 -0.42 0.00 0.71 0.00 0.00 54.79 54.87 1ajs n ASP 130 Cb 0.55 0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 42.01 1ajs n ASP 130 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1ajs s THR 131 N -3.01 2.73 0.41 -3.53 -1.32 -1.26 -4.71 115.64 104.96 1ajs s THR 131 Ca 0.10 0.41 -0.27 0.00 -1.21 0.00 0.00 61.69 60.72 1ajs s THR 131 Cb 0.17 -3.26 -0.09 0.00 -1.51 0.00 0.00 72.50 67.80 1ajs s THR 131 CO 0.73 0.02 1.43 -2.84 -2.21 0.00 0.00 174.62 171.75 1ajs s PRO 132 N 1.79 3.90 -0.14 7.08 0.02 -1.26 -4.64 135.00 141.75 1ajs s PRO 132 Ca 0.72 2.44 0.02 0.00 0.02 0.00 0.00 61.00 64.21 1ajs s PRO 132 Cb -0.43 -2.80 0.01 0.00 0.02 0.00 0.00 34.50 31.30 1ajs s PRO 132 CO 0.32 -0.65 -0.21 0.08 -0.33 0.00 0.00 177.00 176.21 1ajs s VAL 133 N -1.17 2.16 -0.12 3.83 1.01 -0.67 -0.92 120.40 124.52 1ajs s VAL 133 Ca 0.57 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 1ajs s VAL 133 Cb -0.44 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1ajs s VAL 133 CO 0.58 0.54 -0.05 -0.31 0.00 0.00 0.00 175.10 175.86 1ajs s TYR 134 N 0.80 2.99 0.21 5.22 1.51 0.66 0.10 117.35 128.84 1ajs s TYR 134 Ca -0.07 -0.18 0.09 0.00 -1.01 0.00 0.00 57.07 55.91 1ajs s TYR 134 Cb -0.16 -1.85 -0.05 0.00 -0.11 0.00 0.00 41.96 39.80 1ajs s TYR 134 CO -0.01 0.12 -0.18 0.14 -1.11 0.00 0.00 175.55 174.51 1ajs s VAL 135 N -0.14 2.03 0.68 0.71 -7.23 0.32 -1.29 120.40 115.47 1ajs s VAL 135 Ca 0.02 -2.16 -0.12 0.00 -1.81 0.00 0.00 61.98 57.91 1ajs s VAL 135 Cb -0.13 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.75 1ajs s VAL 135 CO 0.03 -0.41 1.07 -0.94 -0.31 0.00 0.00 175.10 174.53 1ajs s SER 136 N -3.10 5.34 -0.38 4.85 1.04 -1.26 -0.85 113.70 119.33 1ajs s SER 136 Ca 0.22 1.73 -0.05 0.00 0.48 0.00 0.00 55.95 58.33 1ajs s SER 136 Cb -0.04 -2.51 0.08 0.00 0.10 0.00 0.00 66.02 63.64 1ajs s SER 136 CO 0.09 -1.47 0.16 -0.55 0.98 0.00 0.00 173.24 172.45 1ajs s SER 137 N -3.37 5.29 0.77 7.02 0.15 -0.26 -2.76 113.70 120.55 1ajs s SER 137 Ca 0.61 -1.59 -0.04 0.00 0.70 0.00 0.00 55.95 55.62 1ajs s SER 137 Cb -0.15 -1.85 0.14 0.00 -1.71 0.00 0.00 66.02 62.44 1ajs s SER 137 CO 0.49 -0.45 1.07 -2.16 1.20 0.00 0.00 173.24 173.39 1ajs s PRO 138 N 1.28 1.45 0.27 5.44 0.04 -1.26 -2.10 135.00 140.12 1ajs s PRO 138 Ca 0.02 -0.95 -0.03 0.00 0.04 0.00 0.00 61.00 60.08 1ajs s PRO 138 Cb -0.22 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 1ajs s PRO 138 CO -0.01 -1.66 0.34 -0.08 0.04 0.00 0.00 177.00 175.63 1ajs s THR 139 N -3.31 0.00 0.02 1.26 -1.32 -1.11 -4.65 115.64 106.53 1ajs s THR 139 Ca 0.68 -1.74 -0.30 0.00 -1.21 0.00 0.00 61.69 59.12 1ajs s THR 139 Cb -0.05 -2.47 -0.09 0.00 -1.51 0.00 0.00 72.50 68.38 1ajs s THR 139 CO 0.46 0.00 1.99 1.87 -2.21 0.00 0.00 174.62 176.73 1ajs n TRP 140 N -0.44 2.48 -0.30 9.09 -0.00 -0.91 -4.64 117.44 122.73 1ajs n TRP 140 Ca 0.02 -0.36 0.28 0.00 -0.00 0.00 0.00 57.50 57.44 1ajs n TRP 140 Cb 0.63 -2.80 0.50 0.00 -0.00 0.00 0.00 31.31 29.64 1ajs n TRP 140 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1ajs n GLU 141 N 7.56 -0.04 0.00 5.87 4.71 -1.26 -0.81 120.64 136.67 1ajs n GLU 141 Ca 0.21 1.10 0.14 0.00 -0.01 0.00 0.00 57.16 58.59 1ajs n GLU 141 Cb 0.40 -2.02 0.66 0.00 -1.01 0.00 0.00 31.44 29.48 1ajs n GLU 141 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1ajs n ASN 142 N -4.70 0.02 0.02 1.62 5.15 -1.26 -3.80 115.26 112.31 1ajs n ASN 142 Ca 0.32 0.25 -0.12 0.00 -0.60 0.00 0.00 54.58 54.43 1ajs n ASN 142 Cb 1.12 -0.41 -0.06 0.00 -0.53 0.00 0.00 39.78 39.90 1ajs n ASN 142 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1ajs h HIS 143 N 0.01 0.07 -0.36 1.20 3.86 -1.34 -1.22 115.15 117.37 1ajs h HIS 143 Ca 0.00 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1ajs h HIS 143 Cb 0.42 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.83 1ajs h HIS 143 CO 0.00 0.06 0.15 -0.91 0.86 0.00 0.00 177.93 178.09 1ajs h ASN 144 N 0.05 0.18 -0.36 2.45 4.21 -1.78 -2.54 115.58 117.79 1ajs h ASN 144 Ca 0.02 0.03 0.03 0.00 1.21 0.00 0.00 56.30 57.59 1ajs h ASN 144 Cb 0.01 0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.18 1ajs h ASN 144 CO -0.00 0.14 0.16 1.23 -1.29 0.00 0.00 177.43 177.66 1ajs h GLY 145 N 0.31 0.48 0.94 2.83 0.00 -1.67 -0.08 103.07 105.88 1ajs h GLY 145 Ca 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1ajs h GLY 145 CO -0.15 0.07 0.17 -2.08 0.00 0.00 0.00 176.54 174.55 1ajs h VAL 146 N 0.33 1.19 -0.45 4.60 2.07 -1.00 -1.44 116.25 121.54 1ajs h VAL 146 Ca 0.16 -0.57 -0.13 0.00 0.82 0.00 0.00 66.70 66.99 1ajs h VAL 146 Cb 0.10 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1ajs h VAL 146 CO -0.13 0.21 -0.22 -0.26 0.02 0.00 0.00 177.57 177.18 1ajs h PHE 147 N 0.49 1.05 -0.44 1.57 -1.00 -1.27 -1.81 116.94 115.53 1ajs h PHE 147 Ca 0.13 -0.25 -0.05 0.00 2.81 0.00 0.00 57.97 60.61 1ajs h PHE 147 Cb 0.17 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 1ajs h PHE 147 CO -0.00 1.04 0.07 1.15 -1.61 0.00 0.00 178.31 178.96 1ajs h THR 148 N 0.80 1.25 -0.28 -1.55 2.02 -0.95 -2.65 112.91 111.54 1ajs h THR 148 Ca 0.10 -0.91 -0.05 0.00 0.77 0.00 0.00 66.41 66.32 1ajs h THR 148 Cb 0.78 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1ajs h THR 148 CO 0.06 0.32 -0.06 0.74 0.37 0.00 0.00 175.52 176.95 1ajs h THR 149 N 0.60 1.20 0.00 3.16 2.02 -1.15 -0.73 112.91 118.01 1ajs h THR 149 Ca 0.13 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1ajs h THR 149 Cb 0.39 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1ajs h THR 149 CO 0.01 0.28 0.00 0.00 0.37 0.00 0.00 175.52 176.18 1ajs n ALA 150 N -2.48 1.63 0.00 6.16 0.00 -0.69 -4.88 120.51 120.25 1ajs n ALA 150 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ajs n ALA 150 Cb 0.27 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1ajs n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ajs n GLY 151 N -0.08 0.94 3.70 0.00 0.00 -0.28 -4.84 105.19 104.63 1ajs n GLY 151 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1ajs n GLY 151 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ajs s PHE 152 N -2.00 2.57 -0.24 1.61 0.08 -1.03 -4.83 117.98 114.15 1ajs s PHE 152 Ca 0.00 0.39 0.22 0.00 0.12 0.00 0.00 56.93 57.66 1ajs s PHE 152 Cb 0.00 -3.96 -0.10 0.00 -0.57 0.00 0.00 43.02 38.40 1ajs s PHE 152 CO 0.00 -3.77 0.87 1.63 -0.10 0.00 0.00 175.22 173.85 1ajs n LYS 153 N 5.20 0.57 -3.79 0.44 5.02 -0.82 -4.43 118.16 120.34 1ajs n LYS 153 Ca 0.15 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.15 1ajs n LYS 153 Cb 0.40 -1.69 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 1ajs n LYS 153 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ajs s ASP 154 N -4.86 3.89 -0.23 4.39 -1.08 -1.26 -5.07 116.67 112.45 1ajs s ASP 154 Ca -0.02 -3.00 -0.11 0.00 -0.52 0.00 0.00 52.55 48.89 1ajs s ASP 154 Cb 0.12 -1.27 -0.05 0.00 -1.46 0.00 0.00 42.92 40.26 1ajs s ASP 154 CO 0.83 -0.21 0.20 -0.63 0.52 0.00 0.00 175.17 175.87 1ajs s ILE 155 N -0.19 5.34 0.37 4.11 -1.09 -1.26 -1.67 121.20 126.81 1ajs s ILE 155 Ca 0.20 0.27 0.07 0.00 -2.23 0.00 0.00 60.65 58.97 1ajs s ILE 155 Cb -0.19 -3.54 -0.07 0.00 -1.58 0.00 0.00 42.46 37.08 1ajs s ILE 155 CO -0.05 0.34 -0.02 -0.13 -1.23 0.00 0.00 174.94 173.85 1ajs s ARG 156 N 1.01 1.86 0.10 2.79 0.52 0.12 -4.96 118.95 120.39 1ajs s ARG 156 Ca 0.10 -2.02 0.10 0.00 -0.52 0.00 0.00 55.73 53.39 1ajs s ARG 156 Cb -0.13 -1.55 -0.04 0.00 0.52 0.00 0.00 34.95 33.75 1ajs s ARG 156 CO 0.04 0.00 -0.25 -1.12 0.02 0.00 0.00 175.30 174.00 1ajs s SER 157 N -3.64 3.42 -0.03 0.23 0.01 -1.26 -0.52 113.70 111.91 1ajs s SER 157 Ca 0.34 -0.66 0.03 0.00 1.31 0.00 0.00 55.95 56.97 1ajs s SER 157 Cb 0.07 -0.32 -0.03 0.00 0.21 0.00 0.00 66.02 65.95 1ajs s SER 157 CO 0.17 0.20 -0.10 -0.72 0.41 0.00 0.00 173.24 173.20 1ajs s TYR 158 N -1.00 2.82 0.46 2.43 -0.85 -0.03 -4.87 117.35 116.31 1ajs s TYR 158 Ca 0.14 -0.07 -0.25 0.00 -0.52 0.00 0.00 57.07 56.37 1ajs s TYR 158 Cb -0.10 -1.63 -0.08 0.00 0.38 0.00 0.00 41.96 40.52 1ajs s TYR 158 CO 0.06 0.30 1.40 0.54 -1.52 0.00 0.00 175.55 176.32 1ajs n ARG 159 N 1.98 2.13 0.09 -3.49 1.74 -1.26 -1.10 116.66 116.75 1ajs n ARG 159 Ca -0.17 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 1ajs n ARG 159 Cb 0.53 -2.58 0.00 0.00 -1.02 0.00 0.00 32.46 29.38 1ajs n ARG 159 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1ajs n TYR 160 N -0.32 -2.48 -3.04 -1.55 9.36 -1.24 -3.73 117.16 114.17 1ajs n TYR 160 Ca 0.06 0.51 -0.40 0.00 3.32 0.00 0.00 57.90 61.39 1ajs n TYR 160 Cb 0.41 1.43 -0.05 0.00 -0.63 0.00 0.00 39.34 40.51 1ajs n TYR 160 CO 0.00 0.00 0.00 -0.46 0.22 0.00 0.00 176.86 176.62 1ajs s TRP 161 N -1.44 3.55 -0.40 2.98 -0.11 -0.89 0.41 118.94 123.04 1ajs s TRP 161 Ca 0.00 1.23 -0.12 0.00 1.22 0.00 0.00 56.10 58.43 1ajs s TRP 161 Cb 0.00 -2.82 0.04 0.00 -1.50 0.00 0.00 33.47 29.19 1ajs s TRP 161 CO 0.00 0.05 0.26 0.34 -4.62 0.00 0.00 176.95 172.97 1ajs s ASP 162 N 0.85 5.84 0.15 5.86 -1.08 0.27 -4.76 116.67 123.80 1ajs s ASP 162 Ca 0.37 -1.11 -0.16 0.00 -0.52 0.00 0.00 52.55 51.13 1ajs s ASP 162 Cb -0.17 -2.06 0.05 0.00 -1.46 0.00 0.00 42.92 39.27 1ajs s ASP 162 CO 0.17 -0.46 1.77 0.74 0.52 0.00 0.00 175.17 177.92 1ajs h THR 163 N 5.86 0.97 0.02 1.71 2.02 -1.95 0.63 112.91 122.16 1ajs h THR 163 Ca -0.26 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1ajs h THR 163 Cb 1.10 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1ajs h THR 163 CO 0.72 0.07 -0.01 -0.08 0.37 0.00 0.00 175.52 176.59 1ajs h GLU 164 N 0.37 -0.03 0.00 6.66 4.81 -1.95 -3.23 114.58 121.20 1ajs h GLU 164 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1ajs h GLU 164 Cb 0.08 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1ajs h GLU 164 CO -0.12 0.40 0.00 1.63 -0.73 0.00 0.00 179.01 180.19 1ajs n LYS 165 N -4.89 0.27 -3.56 1.92 4.76 -1.19 -4.92 118.16 110.55 1ajs n LYS 165 Ca -0.08 0.23 -0.19 0.00 -2.87 0.00 0.00 58.31 55.40 1ajs n LYS 165 Cb 0.23 -1.82 0.06 0.00 -1.84 0.00 0.00 35.03 31.66 1ajs n LYS 165 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ajs n ARG 166 N -2.30 -5.85 -1.22 1.97 1.74 0.22 -4.94 116.66 106.28 1ajs n ARG 166 Ca 0.05 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.88 1ajs n ARG 166 Cb 0.42 -5.55 0.00 0.00 -1.02 0.00 0.00 32.46 26.31 1ajs n ARG 166 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ajs n GLY 167 N -1.34 1.53 3.73 -0.13 0.00 -0.85 -4.78 105.19 103.34 1ajs n GLY 167 Ca -0.29 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 1ajs n GLY 167 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ajs s LEU 168 N 0.00 4.45 -1.28 0.99 2.96 -1.26 0.94 118.68 125.48 1ajs s LEU 168 Ca 0.00 2.15 -0.13 0.00 -0.22 0.00 0.00 54.13 55.93 1ajs s LEU 168 Cb 0.00 -3.60 0.14 0.00 0.50 0.00 0.00 46.19 43.23 1ajs s LEU 168 CO 0.00 -0.34 1.73 -0.67 -1.32 0.00 0.00 176.35 175.74 1ajs n ASP 169 N 2.73 4.99 -0.19 3.68 2.03 0.17 -4.78 116.55 125.17 1ajs n ASP 169 Ca 0.05 -3.01 -0.07 0.00 0.52 0.00 0.00 54.79 52.28 1ajs n ASP 169 Cb 0.45 -1.57 0.03 0.00 -0.72 0.00 0.00 41.12 39.31 1ajs n ASP 169 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1ajs h LEU 170 N 9.41 0.67 -0.85 -2.67 5.85 -1.93 -0.54 115.31 125.26 1ajs h LEU 170 Ca 0.39 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.07 1ajs h LEU 170 Cb 0.75 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 1ajs h LEU 170 CO 1.49 0.54 0.55 1.56 -0.34 0.00 0.00 178.44 182.24 1ajs h GLN 171 N 0.75 1.06 -0.14 1.25 1.08 -1.98 0.73 115.11 117.85 1ajs h GLN 171 Ca 0.20 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 1ajs h GLN 171 Cb -0.01 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.18 1ajs h GLN 171 CO -0.04 0.70 0.02 0.78 -0.95 0.00 0.00 178.83 179.35 1ajs h GLY 172 N 1.09 0.26 0.44 3.46 0.00 -1.85 -0.76 103.07 105.72 1ajs h GLY 172 Ca 0.33 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.51 1ajs h GLY 172 CO -0.10 0.16 -0.28 -2.75 0.00 0.00 0.00 176.54 173.58 1ajs h PHE 173 N 0.02 -0.75 -0.89 5.60 3.57 -0.67 -0.72 116.94 123.11 1ajs h PHE 173 Ca 0.04 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.60 1ajs h PHE 173 Cb 0.31 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.32 1ajs h PHE 173 CO 0.02 -0.37 0.58 -0.07 -2.23 0.00 0.00 178.31 176.24 1ajs h LEU 174 N -0.45 0.96 -0.79 0.59 3.38 -0.80 0.01 115.31 118.21 1ajs h LEU 174 Ca 0.05 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1ajs h LEU 174 Cb 0.51 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1ajs h LEU 174 CO -0.20 0.66 0.23 0.28 0.09 0.00 0.00 178.44 179.50 1ajs h SER 175 N 1.11 1.06 -0.62 -0.43 0.02 -0.58 0.61 113.55 114.73 1ajs h SER 175 Ca 0.35 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 1ajs h SER 175 Cb 0.01 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 1ajs h SER 175 CO -0.10 0.98 0.17 0.44 -1.14 0.00 0.00 176.83 177.18 1ajs h ASP 176 N 1.09 0.95 -0.27 3.07 3.32 -0.12 -1.41 116.42 123.06 1ajs h ASP 176 Ca 0.24 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1ajs h ASP 176 Cb 0.30 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1ajs h ASP 176 CO -0.01 0.91 0.02 -0.07 -1.72 0.00 0.00 179.24 178.38 1ajs h LEU 177 N 0.97 0.44 -1.87 1.55 3.38 -0.57 -2.28 115.31 116.94 1ajs h LEU 177 Ca 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1ajs h LEU 177 Cb 0.33 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ajs h LEU 177 CO -0.00 0.62 0.00 -0.33 0.09 0.00 0.00 178.44 178.82 1ajs h GLU 178 N 0.26 0.08 -0.02 1.13 4.39 -0.51 -2.27 114.58 117.63 1ajs h GLU 178 Ca 0.08 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1ajs h GLU 178 Cb 0.37 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1ajs h GLU 178 CO 0.01 0.09 -0.13 0.09 -1.16 0.00 0.00 179.01 177.91 1ajs n ASN 179 N -4.49 2.11 -4.74 1.42 3.02 -0.56 -4.93 115.26 107.09 1ajs n ASN 179 Ca -0.02 -1.61 -0.41 0.00 -0.03 0.00 0.00 54.58 52.51 1ajs n ASN 179 Cb 0.12 0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 1ajs n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ajs s ALA 180 N -2.16 3.46 0.51 5.41 0.00 -0.86 -4.99 121.76 123.13 1ajs s ALA 180 Ca 0.28 0.99 -0.23 0.00 0.00 0.00 0.00 51.96 53.01 1ajs s ALA 180 Cb 0.20 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 1ajs s ALA 180 CO 0.39 -0.40 1.27 -2.30 0.00 0.00 0.00 175.76 174.73 1ajs n PRO 181 N 2.34 1.67 -1.65 0.00 -0.02 -1.26 -4.90 135.00 131.19 1ajs n PRO 181 Ca 0.04 0.61 -0.40 0.00 -2.02 0.00 0.00 63.50 61.73 1ajs n PRO 181 Cb 0.44 -2.45 0.03 0.00 -0.02 0.00 0.00 33.50 31.50 1ajs n PRO 181 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ajs n GLU 182 N -0.64 1.41 -0.76 -0.52 4.71 -1.26 -2.02 120.64 121.56 1ajs n GLU 182 Ca 0.09 0.51 0.00 0.00 -0.01 0.00 0.00 57.16 57.76 1ajs n GLU 182 Cb 0.43 -2.23 0.00 0.00 -1.01 0.00 0.00 31.44 28.63 1ajs n GLU 182 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1ajs n PHE 183 N -0.85 0.00 -1.47 -0.32 3.72 -0.54 -5.00 117.46 113.00 1ajs n PHE 183 Ca 0.10 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.14 1ajs n PHE 183 Cb 0.42 -0.13 0.08 0.00 -0.94 0.00 0.00 39.48 38.91 1ajs n PHE 183 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ajs n SER 184 N 0.00 0.99 -4.73 4.37 7.64 -0.85 -4.53 113.62 116.51 1ajs n SER 184 Ca 0.00 0.72 -0.35 0.00 1.01 0.00 0.00 58.87 60.25 1ajs n SER 184 Cb 0.00 -1.45 -0.08 0.00 -1.01 0.00 0.00 64.21 61.67 1ajs n SER 184 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1ajs s ILE 185 N -1.69 5.39 -0.18 0.44 1.01 -0.10 -0.89 121.20 125.18 1ajs s ILE 185 Ca 0.76 0.25 -0.02 0.00 0.00 0.00 0.00 60.65 61.65 1ajs s ILE 185 Cb -0.36 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 1ajs s ILE 185 CO 0.47 0.43 -0.09 -0.36 0.00 0.00 0.00 174.94 175.39 1ajs s PHE 186 N 0.38 2.89 -0.34 3.97 0.40 0.25 -0.25 117.98 125.29 1ajs s PHE 186 Ca 0.10 -0.83 -0.20 0.00 -0.60 0.00 0.00 56.93 55.39 1ajs s PHE 186 Cb -0.11 -1.98 -0.00 0.00 0.51 0.00 0.00 43.02 41.44 1ajs s PHE 186 CO -0.01 -0.40 0.63 0.08 0.70 0.00 0.00 175.22 176.22 1ajs s VAL 187 N 0.94 4.91 -0.07 -0.44 1.01 -0.41 -0.75 120.40 125.58 1ajs s VAL 187 Ca -0.01 0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.67 1ajs s VAL 187 Cb -0.15 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1ajs s VAL 187 CO -0.00 -0.26 -0.17 -0.76 0.00 0.00 0.00 175.10 173.92 1ajs s LEU 188 N 2.67 2.57 -0.20 3.92 1.43 0.14 -4.44 118.68 124.77 1ajs s LEU 188 Ca 0.25 -0.30 -0.27 0.00 -1.03 0.00 0.00 54.13 52.77 1ajs s LEU 188 Cb -0.15 -1.52 -0.00 0.00 0.03 0.00 0.00 46.19 44.55 1ajs s LEU 188 CO 0.14 0.28 0.92 -1.00 0.23 0.00 0.00 176.35 176.91 1ajs s HIS 189 N -0.33 3.38 0.23 0.29 3.76 -1.26 0.94 115.29 122.29 1ajs s HIS 189 Ca 0.03 1.33 -0.08 0.00 -0.15 0.00 0.00 55.06 56.19 1ajs s HIS 189 Cb -0.13 -3.13 0.20 0.00 1.11 0.00 0.00 32.58 30.64 1ajs s HIS 189 CO 0.02 -0.36 1.87 0.00 -0.85 0.00 0.00 174.74 175.43 1ajs h ALA 190 N 7.43 1.11 -2.05 -1.40 0.00 -1.53 -3.46 119.26 119.36 1ajs h ALA 190 Ca -0.25 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 54.75 1ajs h ALA 190 Cb 1.10 -0.35 -0.13 0.00 0.00 0.00 0.00 17.79 18.41 1ajs h ALA 190 CO 0.89 0.57 0.59 0.00 0.00 0.00 0.00 179.25 181.30 1ajs n ALA 192 N -0.32 -2.48 -1.57 0.00 0.00 -1.26 -4.69 120.51 110.20 1ajs n ALA 192 Ca -0.06 -0.08 -0.53 0.00 0.00 0.00 0.00 53.44 52.76 1ajs n ALA 192 Cb 0.61 -4.60 -0.06 0.00 0.00 0.00 0.00 19.45 15.39 1ajs n ALA 192 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ajs n HIS 193 N -3.82 1.33 -3.93 0.00 -0.00 -1.26 -4.78 115.22 102.76 1ajs n HIS 193 Ca -0.10 0.72 -0.35 0.00 0.46 0.00 0.00 57.72 58.45 1ajs n HIS 193 Cb 0.61 -2.28 -0.14 0.00 -0.12 0.00 0.00 29.99 28.06 1ajs n HIS 193 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1ajs s ASN 194 N 0.37 4.38 0.00 0.26 3.84 -1.26 -0.09 114.94 122.44 1ajs s ASN 194 Ca 0.85 -0.79 0.15 0.00 0.21 0.00 0.00 52.86 53.28 1ajs s ASN 194 Cb -1.01 -1.69 0.26 0.00 -0.55 0.00 0.00 41.25 38.25 1ajs s ASN 194 CO 0.49 -0.12 1.16 -0.81 -2.79 0.00 0.00 177.10 175.02 1ajs n PRO 195 N 4.70 1.90 0.06 0.43 -0.04 -1.26 -2.15 135.00 138.65 1ajs n PRO 195 Ca -0.17 -1.80 -0.03 0.00 -0.04 0.00 0.00 63.50 61.46 1ajs n PRO 195 Cb 0.48 -1.33 -0.07 0.00 -0.04 0.00 0.00 33.50 32.53 1ajs n PRO 195 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1ajs h THR 196 N 2.95 1.00 0.00 0.52 1.35 -1.83 -3.32 112.91 113.58 1ajs h THR 196 Ca 0.00 -2.58 0.00 0.00 -0.55 0.00 0.00 66.41 63.28 1ajs h THR 196 Cb 0.73 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1ajs h THR 196 CO 0.00 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 1ajs n GLY 197 N 1.36 0.86 3.63 5.82 0.00 0.87 -2.19 105.19 115.53 1ajs n GLY 197 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1ajs n GLY 197 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ajs s THR 198 N -3.56 5.01 0.21 2.61 2.01 -1.26 0.26 115.64 120.91 1ajs s THR 198 Ca 0.00 1.07 0.11 0.00 0.31 0.00 0.00 61.69 63.17 1ajs s THR 198 Cb 0.00 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1ajs s THR 198 CO 0.00 0.05 -0.17 -1.81 -0.69 0.00 0.00 174.62 172.00 1ajs s ASP 199 N 1.47 3.81 0.59 3.53 1.01 -1.26 -4.48 116.67 121.34 1ajs s ASP 199 Ca 0.25 -0.78 -0.17 0.00 0.71 0.00 0.00 52.55 52.56 1ajs s ASP 199 Cb -0.16 -0.46 -0.03 0.00 1.01 0.00 0.00 42.92 43.28 1ajs s ASP 199 CO 0.09 0.09 1.11 -2.84 0.21 0.00 0.00 175.17 173.83 1ajs s PRO 200 N -2.92 3.15 0.70 8.23 0.02 -1.26 -4.99 135.00 137.92 1ajs s PRO 200 Ca 0.24 1.46 -0.09 0.00 0.02 0.00 0.00 61.00 62.63 1ajs s PRO 200 Cb -0.08 -1.99 0.04 0.00 0.02 0.00 0.00 34.50 32.49 1ajs s PRO 200 CO 0.13 -0.99 1.04 0.95 -0.33 0.00 0.00 177.00 177.81 1ajs s THR 201 N -2.10 2.83 0.27 0.99 -4.23 -1.26 -4.81 115.64 107.33 1ajs s THR 201 Ca 0.69 0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 61.22 1ajs s THR 201 Cb -0.21 -3.22 0.26 0.00 1.34 0.00 0.00 72.50 70.66 1ajs s THR 201 CO 0.34 -0.26 1.82 -0.65 -0.54 0.00 0.00 174.62 175.32 1ajs h PRO 202 N -0.61 0.85 -0.90 3.99 0.11 -1.99 0.73 132.00 134.18 1ajs h PRO 202 Ca -0.45 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1ajs h PRO 202 Cb 1.29 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 1ajs h PRO 202 CO 0.62 0.56 0.52 0.93 -0.21 0.00 0.00 178.00 180.43 1ajs h GLU 203 N 0.87 1.24 -0.48 1.05 4.39 -2.00 -1.17 114.58 118.48 1ajs h GLU 203 Ca 0.46 -0.13 -0.13 0.00 0.34 0.00 0.00 59.36 59.90 1ajs h GLU 203 Cb 0.49 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1ajs h GLU 203 CO -0.28 0.88 -0.23 1.96 -1.16 0.00 0.00 179.01 180.19 1ajs h GLN 204 N 1.25 1.00 -0.63 2.33 4.20 -1.50 -2.80 115.11 118.95 1ajs h GLN 204 Ca 0.32 -0.43 0.06 0.00 0.06 0.00 0.00 58.65 58.66 1ajs h GLN 204 Cb -0.02 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 1ajs h GLN 204 CO -0.06 1.11 0.42 -1.49 -0.67 0.00 0.00 178.83 178.14 1ajs h TRP 205 N 0.85 0.65 -0.27 2.96 4.06 -0.33 -1.04 115.95 122.83 1ajs h TRP 205 Ca 0.11 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.99 1ajs h TRP 205 Cb 0.81 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.74 1ajs h TRP 205 CO 0.05 0.35 -0.17 0.87 -3.56 0.00 0.00 178.44 175.98 1ajs h LYS 206 N 0.65 0.47 -0.32 0.49 1.57 -0.97 0.17 116.57 118.64 1ajs h LYS 206 Ca 0.27 -0.15 -0.17 0.00 -1.87 0.00 0.00 60.65 58.73 1ajs h LYS 206 Cb 0.25 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1ajs h LYS 206 CO -0.08 0.63 -0.49 1.96 -0.57 0.00 0.00 179.45 180.90 1ajs h GLN 207 N 0.43 0.87 0.05 3.15 4.20 -1.09 -2.02 115.11 120.71 1ajs h GLN 207 Ca 0.07 -0.52 -0.00 0.00 0.06 0.00 0.00 58.65 58.26 1ajs h GLN 207 Cb 0.55 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1ajs h GLN 207 CO 0.04 1.16 -0.02 0.82 -0.67 0.00 0.00 178.83 180.15 1ajs h ILE 208 N 0.69 0.96 -0.92 2.54 2.04 -1.05 -2.91 117.51 118.86 1ajs h ILE 208 Ca 0.03 -0.05 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1ajs h ILE 208 Cb 1.09 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 38.09 1ajs h ILE 208 CO 0.11 0.01 0.57 0.00 0.00 0.00 0.00 178.15 178.84 1ajs h ALA 209 N 0.86 1.30 -0.72 1.87 0.00 -0.94 -2.16 119.26 119.48 1ajs h ALA 209 Ca -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ajs h ALA 209 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1ajs h ALA 209 CO 0.01 0.26 0.35 0.66 0.00 0.00 0.00 179.25 180.53 1ajs h SER 210 N 0.98 0.93 -0.48 0.00 4.64 -1.19 0.18 113.55 118.61 1ajs h SER 210 Ca 0.42 -0.13 -0.13 0.00 -0.47 0.00 0.00 61.79 61.48 1ajs h SER 210 Cb 0.29 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1ajs h SER 210 CO -0.21 0.80 -0.22 0.58 -0.87 0.00 0.00 176.83 176.91 1ajs h VAL 211 N 1.00 1.27 -0.65 0.95 2.07 -1.28 -2.78 116.25 116.83 1ajs h VAL 211 Ca 0.25 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 1ajs h VAL 211 Cb 0.11 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1ajs h VAL 211 CO -0.03 0.48 0.35 0.24 0.02 0.00 0.00 177.57 178.63 1ajs h MET 212 N 0.87 0.91 -0.25 1.57 2.86 -0.96 -1.72 114.93 118.21 1ajs h MET 212 Ca 0.11 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ajs h MET 212 Cb 0.80 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1ajs h MET 212 CO 0.07 0.69 0.16 -0.22 1.06 0.00 0.00 176.91 178.68 1ajs h LYS 213 N 0.89 0.33 -0.69 1.72 3.64 -0.57 -0.60 116.57 121.30 1ajs h LYS 213 Ca 0.23 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1ajs h LYS 213 Cb 0.05 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1ajs h LYS 213 CO -0.04 0.23 0.20 0.00 -2.27 0.00 0.00 179.45 177.58 1ajs h ARG 214 N 0.33 1.08 -0.40 1.90 3.08 -1.20 -3.15 114.38 116.02 1ajs h ARG 214 Ca 0.09 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1ajs h ARG 214 Cb -0.03 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.87 1ajs h ARG 214 CO -0.02 0.94 0.00 0.54 -1.07 0.00 0.00 179.97 180.36 1ajs n ARG 215 N -4.30 2.24 -3.64 0.04 1.74 -0.68 -4.96 116.66 107.11 1ajs n ARG 215 Ca 0.05 -1.90 -0.22 0.00 -0.77 0.00 0.00 57.85 55.01 1ajs n ARG 215 Cb 0.23 -1.46 0.06 0.00 -1.02 0.00 0.00 32.46 30.27 1ajs n ARG 215 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1ajs n PHE 216 N 1.08 -2.27 -3.15 -1.55 3.72 -0.82 -2.96 117.46 111.51 1ajs n PHE 216 Ca 0.18 0.92 -0.39 0.00 -0.05 0.00 0.00 57.45 58.11 1ajs n PHE 216 Cb 0.49 -4.66 -0.06 0.00 -0.94 0.00 0.00 39.48 34.31 1ajs n PHE 216 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ajs s LEU 217 N -6.82 4.49 -0.21 4.37 1.43 -0.30 -1.47 118.68 120.17 1ajs s LEU 217 Ca 0.24 1.33 -0.18 0.00 -1.03 0.00 0.00 54.13 54.49 1ajs s LEU 217 Cb -0.11 -3.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 1ajs s LEU 217 CO 0.77 0.17 0.48 0.12 0.23 0.00 0.00 176.35 178.12 1ajs s PHE 218 N -0.65 3.36 -0.29 0.29 5.36 -0.07 -4.76 117.98 121.22 1ajs s PHE 218 Ca 0.32 0.71 -0.24 0.00 -0.96 0.00 0.00 56.93 56.76 1ajs s PHE 218 Cb -0.20 -2.63 0.00 0.00 -0.34 0.00 0.00 43.02 39.85 1ajs s PHE 218 CO 0.20 -0.10 0.82 -1.25 -1.46 0.00 0.00 175.22 173.43 1ajs s PRO 219 N 1.62 4.03 -0.55 10.12 0.05 -1.26 -0.58 135.00 148.42 1ajs s PRO 219 Ca 0.22 0.71 -0.04 0.00 0.05 0.00 0.00 61.00 61.94 1ajs s PRO 219 Cb -0.15 -3.71 0.14 0.00 0.05 0.00 0.00 34.50 30.84 1ajs s PRO 219 CO 0.09 -0.65 0.38 0.12 0.05 0.00 0.00 177.00 176.99 1ajs s PHE 220 N 2.97 3.48 0.25 0.56 2.19 0.07 -2.48 117.98 125.03 1ajs s PHE 220 Ca 0.34 -2.50 -0.30 0.00 0.33 0.00 0.00 56.93 54.80 1ajs s PHE 220 Cb -0.14 -3.27 -0.09 0.00 -1.31 0.00 0.00 43.02 38.20 1ajs s PHE 220 CO 0.11 -0.91 1.02 -0.06 1.83 0.00 0.00 175.22 177.21 1ajs s PHE 221 N 0.46 3.79 -0.29 10.12 0.08 -0.33 -0.69 117.98 131.13 1ajs s PHE 221 Ca 0.13 1.81 -0.04 0.00 0.12 0.00 0.00 56.93 58.95 1ajs s PHE 221 Cb -0.21 -3.12 0.03 0.00 -0.57 0.00 0.00 43.02 39.14 1ajs s PHE 221 CO -0.04 -0.02 0.02 0.34 -0.10 0.00 0.00 175.22 175.42 1ajs s ASP 222 N -0.99 4.82 -0.50 1.36 -1.08 0.27 -0.57 116.67 119.98 1ajs s ASP 222 Ca 0.43 -0.96 0.03 0.00 -0.52 0.00 0.00 52.55 51.53 1ajs s ASP 222 Cb -0.29 -1.77 0.13 0.00 -1.46 0.00 0.00 42.92 39.54 1ajs s ASP 222 CO 0.36 -0.21 0.24 -0.55 0.52 0.00 0.00 175.17 175.54 1ajs s SER 223 N 1.37 4.45 0.00 -0.34 0.15 0.98 -1.19 113.70 119.12 1ajs s SER 223 Ca -0.01 -2.88 0.18 0.00 0.70 0.00 0.00 55.95 53.94 1ajs s SER 223 Cb -0.18 -1.65 -0.14 0.00 -1.71 0.00 0.00 66.02 62.34 1ajs s SER 223 CO -0.01 -0.26 0.80 0.00 1.20 0.00 0.00 173.24 174.97 1ajs n ALA 224 N 3.30 4.03 -2.04 5.45 0.00 -1.26 -1.86 120.51 128.13 1ajs n ALA 224 Ca 0.05 -0.52 0.05 0.00 0.00 0.00 0.00 53.44 53.02 1ajs n ALA 224 Cb 0.34 -0.64 0.10 0.00 0.00 0.00 0.00 19.45 19.25 1ajs n ALA 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ajs n TYR 225 N -1.05 0.00 -1.70 0.00 4.01 -1.26 -4.54 117.16 112.62 1ajs n TYR 225 Ca 0.05 -0.91 -0.42 0.00 -0.16 0.00 0.00 57.90 56.46 1ajs n TYR 225 Cb 0.31 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 1ajs n TYR 225 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1ajs n GLN 226 N -0.28 2.81 0.00 -0.72 7.27 -1.26 -1.49 117.38 123.71 1ajs n GLN 226 Ca 0.11 1.02 0.00 0.00 0.07 0.00 0.00 57.00 58.20 1ajs n GLN 226 Cb 0.91 -2.90 0.00 0.00 2.41 0.00 0.00 30.24 30.67 1ajs n GLN 226 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ajs n GLY 227 N 4.14 2.09 0.36 1.69 0.00 -1.26 -4.68 105.19 107.54 1ajs n GLY 227 Ca 0.17 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.94 1ajs n GLY 227 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ajs h PHE 228 N 0.00 0.93 0.66 1.61 3.04 -1.75 0.12 116.94 121.54 1ajs h PHE 228 Ca 0.00 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 1ajs h PHE 228 Cb 0.00 -0.30 0.01 0.00 2.56 0.00 0.00 35.95 38.21 1ajs h PHE 228 CO 0.00 0.45 -0.31 0.00 -2.02 0.00 0.00 178.31 176.43 1ajs h ALA 229 N 1.55 -1.22 0.00 2.41 0.00 -1.53 -3.37 119.26 117.10 1ajs h ALA 229 Ca 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ajs h ALA 229 Cb 0.34 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ajs h ALA 229 CO -0.15 -1.16 -0.65 -1.13 0.00 0.00 0.00 179.25 176.16 1ajs n SER 230 N -4.39 0.83 0.00 0.00 3.41 -1.24 -4.13 113.62 108.10 1ajs n SER 230 Ca -0.11 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 1ajs n SER 230 Cb 0.35 1.08 0.00 0.00 -0.26 0.00 0.00 64.21 65.38 1ajs n SER 230 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ajs n GLY 231 N 1.35 1.23 3.13 5.00 0.00 0.41 -4.92 105.19 111.39 1ajs n GLY 231 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1ajs n GLY 231 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ajs s ASN 232 N -3.01 4.47 0.28 1.61 3.84 -1.25 -4.61 114.94 116.28 1ajs s ASN 232 Ca 0.00 -1.20 -0.03 0.00 0.21 0.00 0.00 52.86 51.84 1ajs s ASN 232 Cb 0.00 -1.62 0.39 0.00 -0.55 0.00 0.00 41.25 39.47 1ajs s ASN 232 CO 0.00 -0.19 1.91 -0.07 -2.79 0.00 0.00 177.10 175.97 1ajs h LEU 233 N 7.90 0.94 -0.05 3.21 3.38 -1.93 -1.03 115.31 127.74 1ajs h LEU 233 Ca -0.24 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 1ajs h LEU 233 Cb 1.07 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1ajs h LEU 233 CO 0.52 0.74 -0.24 -0.33 0.09 0.00 0.00 178.44 179.23 1ajs h GLU 234 N 1.06 0.24 -0.78 1.13 4.39 -1.94 -2.86 114.58 115.83 1ajs h GLU 234 Ca 0.27 -0.20 0.05 0.00 0.34 0.00 0.00 59.36 59.82 1ajs h GLU 234 Cb 0.01 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.65 1ajs h GLU 234 CO -0.05 0.85 0.48 -0.22 -1.16 0.00 0.00 179.01 178.92 1ajs h LYS 235 N -0.30 0.89 0.00 2.33 3.64 -1.95 -1.32 116.57 119.85 1ajs h LYS 235 Ca -0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1ajs h LYS 235 Cb 0.90 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1ajs h LYS 235 CO 0.05 0.59 0.00 -0.44 -2.27 0.00 0.00 179.45 177.38 1ajs h ASP 236 N 0.91 0.00 -0.47 4.20 3.32 -1.17 -2.67 116.42 120.54 1ajs h ASP 236 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1ajs h ASP 236 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1ajs h ASP 236 CO -0.14 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.38 1ajs n ALA 237 N -2.02 2.33 -0.15 3.45 0.00 -0.54 -4.61 120.51 118.96 1ajs n ALA 237 Ca 0.01 -1.12 -0.05 0.00 0.00 0.00 0.00 53.44 52.27 1ajs n ALA 237 Cb 0.26 -0.70 0.02 0.00 0.00 0.00 0.00 19.45 19.03 1ajs n ALA 237 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1ajs h TRP 238 N 3.41 -0.59 -0.62 0.00 7.01 -1.07 -1.67 115.95 122.42 1ajs h TRP 238 Ca 0.00 0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 1ajs h TRP 238 Cb 0.86 0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 28.22 1ajs h TRP 238 CO 0.31 -0.31 0.30 0.00 -2.79 0.00 0.00 178.44 175.95 1ajs h ALA 239 N 1.17 0.80 -0.10 2.65 0.00 -1.84 0.15 119.26 122.10 1ajs h ALA 239 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ajs h ALA 239 Cb 0.47 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ajs h ALA 239 CO -0.56 0.37 0.06 0.82 0.00 0.00 0.00 179.25 179.94 1ajs h ILE 240 N 0.85 1.02 -0.61 0.00 2.04 -1.77 -1.92 117.51 117.11 1ajs h ILE 240 Ca 0.21 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 66.00 1ajs h ILE 240 Cb 0.12 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1ajs h ILE 240 CO -0.03 0.02 0.25 0.03 0.00 0.00 0.00 178.15 178.43 1ajs h ARG 241 N 0.12 0.89 -0.06 2.37 3.08 -1.02 -1.71 114.38 118.05 1ajs h ARG 241 Ca 0.04 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1ajs h ARG 241 Cb -0.01 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 1ajs h ARG 241 CO -0.01 0.73 0.04 -0.92 -1.07 0.00 0.00 179.97 178.73 1ajs h TYR 242 N 0.88 0.08 -0.66 3.04 3.20 -0.38 -0.44 116.97 122.68 1ajs h TYR 242 Ca 0.21 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.09 1ajs h TYR 242 Cb 0.16 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 1ajs h TYR 242 CO 0.01 0.12 0.43 0.74 -1.64 0.00 0.00 178.16 177.82 1ajs h PHE 243 N 0.02 0.82 -0.17 -3.82 -1.00 -1.13 -1.17 116.94 110.50 1ajs h PHE 243 Ca 0.02 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.84 1ajs h PHE 243 Cb 0.06 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.32 1ajs h PHE 243 CO -0.05 0.50 0.03 0.28 -1.61 0.00 0.00 178.31 177.46 1ajs h VAL 244 N 0.87 0.92 -0.84 -0.55 2.07 -0.99 -1.57 116.25 116.16 1ajs h VAL 244 Ca 0.25 -0.03 0.11 0.00 0.82 0.00 0.00 66.70 67.85 1ajs h VAL 244 Cb -0.07 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 1ajs h VAL 244 CO -0.07 0.02 0.55 0.28 0.02 0.00 0.00 177.57 178.36 1ajs h SER 245 N 0.09 0.69 0.00 0.57 0.02 -0.57 -0.66 113.55 113.69 1ajs h SER 245 Ca 0.08 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1ajs h SER 245 Cb 0.07 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1ajs h SER 245 CO -0.11 0.40 0.00 -0.62 -1.14 0.00 0.00 176.83 175.36 1ajs n GLU 246 N -4.52 0.97 -0.64 3.45 -0.58 -0.49 -4.89 120.64 113.95 1ajs n GLU 246 Ca 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1ajs n GLU 246 Cb 0.36 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 1ajs n GLU 246 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ajs n GLY 247 N 0.89 0.65 3.80 0.62 0.00 -0.26 -5.05 105.19 105.85 1ajs n GLY 247 Ca 0.21 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1ajs n GLY 247 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ajs s PHE 248 N -2.00 3.03 0.03 1.61 0.40 -0.64 -4.98 117.98 115.43 1ajs s PHE 248 Ca 0.00 1.52 -0.08 0.00 -0.60 0.00 0.00 56.93 57.77 1ajs s PHE 248 Cb 0.00 -3.01 -0.05 0.00 0.51 0.00 0.00 43.02 40.47 1ajs s PHE 248 CO 0.00 -1.00 0.31 -1.21 0.70 0.00 0.00 175.22 174.02 1ajs s GLU 249 N -3.88 3.65 0.24 0.44 2.02 -1.26 -4.68 118.70 115.22 1ajs s GLU 249 Ca 0.64 0.03 -0.22 0.00 0.02 0.00 0.00 54.97 55.43 1ajs s GLU 249 Cb -0.16 -3.07 0.04 0.00 0.10 0.00 0.00 34.13 31.04 1ajs s GLU 249 CO 0.33 0.63 0.79 -0.48 0.02 0.00 0.00 175.26 176.55 1ajs s LEU 250 N -1.74 -0.24 0.07 1.80 0.05 -0.79 -4.48 118.68 113.34 1ajs s LEU 250 Ca 0.29 -0.53 0.08 0.00 0.05 0.00 0.00 54.13 54.02 1ajs s LEU 250 Cb -0.14 2.55 -0.04 0.00 -2.05 0.00 0.00 46.19 46.52 1ajs s LEU 250 CO 0.16 -1.20 -0.18 -0.36 -0.55 0.00 0.00 176.35 174.23 1ajs s PHE 251 N -3.71 2.56 -0.21 3.48 0.40 -1.04 -1.29 117.98 118.18 1ajs s PHE 251 Ca 0.11 -0.25 -0.04 0.00 -0.60 0.00 0.00 56.93 56.15 1ajs s PHE 251 Cb -0.04 -1.42 0.07 0.00 0.51 0.00 0.00 43.02 42.14 1ajs s PHE 251 CO 0.05 0.31 0.09 0.00 0.70 0.00 0.00 175.22 176.37 1ajs s ALA 253 N 2.06 3.34 -0.13 0.00 0.00 0.26 -0.59 121.76 126.70 1ajs s ALA 253 Ca 0.03 -0.61 -0.06 0.00 0.00 0.00 0.00 51.96 51.33 1ajs s ALA 253 Cb -0.16 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 1ajs s ALA 253 CO -0.16 -1.78 0.09 -0.65 0.00 0.00 0.00 175.76 173.27 1ajs s GLN 254 N 3.56 3.48 -0.02 0.00 -0.21 0.67 -0.01 119.66 127.13 1ajs s GLN 254 Ca 0.37 -0.24 0.07 0.00 0.02 0.00 0.00 55.36 55.58 1ajs s GLN 254 Cb -0.11 -3.12 -0.02 0.00 1.00 0.00 0.00 33.01 30.76 1ajs s GLN 254 CO 0.22 0.64 -0.23 0.45 -2.12 0.00 0.00 175.29 174.24 1ajs s SER 255 N -0.65 3.30 -0.07 5.90 0.15 -0.78 -1.17 113.70 120.39 1ajs s SER 255 Ca 0.12 -0.42 0.13 0.00 0.70 0.00 0.00 55.95 56.49 1ajs s SER 255 Cb -0.12 -0.46 0.41 0.00 -1.71 0.00 0.00 66.02 64.14 1ajs s SER 255 CO 0.02 0.32 1.34 0.49 1.20 0.00 0.00 173.24 176.61 1ajs n PHE 256 N 2.32 0.69 0.72 3.44 3.01 -0.30 -4.69 117.46 122.65 1ajs n PHE 256 Ca -0.16 -0.65 0.02 0.00 1.01 0.00 0.00 57.45 57.66 1ajs n PHE 256 Cb 0.51 -0.15 0.10 0.00 -0.01 0.00 0.00 39.48 39.93 1ajs n PHE 256 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1ajs n SER 257 N 0.14 0.00 0.00 4.37 3.41 -1.26 -2.52 113.62 117.76 1ajs n SER 257 Ca 0.16 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 1ajs n SER 257 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1ajs n SER 257 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1ajs n ASN 259 N -0.64 0.00 -0.10 4.04 0.23 -1.26 -1.78 115.26 115.75 1ajs n ASN 259 Ca 0.02 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.12 1ajs n ASN 259 Cb 0.01 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.69 1ajs n ASN 259 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1ajs n PHE 260 N 0.00 0.00 -2.25 -2.53 3.01 -1.05 -4.83 117.46 109.82 1ajs n PHE 260 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.29 1ajs n PHE 260 Cb 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.46 1ajs n PHE 260 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ajs n GLY 261 N 1.02 -0.15 2.31 1.37 0.00 -1.07 -4.65 105.19 104.02 1ajs n GLY 261 Ca 0.03 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1ajs n GLY 261 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ajs n LEU 262 N -2.44 7.53 -0.36 0.99 4.77 -0.73 -4.78 117.00 121.98 1ajs n LEU 262 Ca -0.20 -4.19 -0.06 0.00 -0.03 0.00 0.00 56.01 51.53 1ajs n LEU 262 Cb 0.65 -1.00 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 1ajs n LEU 262 CO 0.24 1.46 0.55 1.88 -1.33 0.00 0.00 177.39 180.19 1ajs h TYR 263 N 2.00 -1.39 -0.01 -1.77 0.05 -1.81 -0.78 116.97 113.25 1ajs h TYR 263 Ca 0.56 0.11 0.00 0.00 0.05 0.00 0.00 58.73 59.45 1ajs h TYR 263 Cb 0.78 0.74 0.00 0.00 1.01 0.00 0.00 36.73 39.25 1ajs h TYR 263 CO 1.34 -0.40 0.00 0.27 -1.05 0.00 0.00 178.16 178.32 1ajs n ASN 264 N -5.39 0.12 -0.67 3.88 2.04 -1.26 -3.27 115.26 110.71 1ajs n ASN 264 Ca 0.06 -1.41 0.10 0.00 -0.44 0.00 0.00 54.58 52.89 1ajs n ASN 264 Cb 0.34 -0.01 0.05 0.00 -2.53 0.00 0.00 39.78 37.64 1ajs n ASN 264 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1ajs n GLU 265 N -0.72 1.70 -3.68 -3.83 -0.58 -0.30 -5.03 120.64 108.19 1ajs n GLU 265 Ca 0.15 -1.40 -0.28 0.00 -0.42 0.00 0.00 57.16 55.21 1ajs n GLU 265 Cb 0.09 -1.39 0.02 0.00 -0.57 0.00 0.00 31.44 29.59 1ajs n GLU 265 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ajs n ARG 266 N 0.67 -1.16 -3.74 3.49 5.12 -1.20 -4.53 116.66 115.31 1ajs n ARG 266 Ca 0.10 0.62 -0.37 0.00 -1.93 0.00 0.00 57.85 56.27 1ajs n ARG 266 Cb 0.47 -3.65 -0.12 0.00 -1.16 0.00 0.00 32.46 28.00 1ajs n ARG 266 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ajs s VAL 267 N -3.29 4.30 0.23 1.55 1.01 -1.26 -2.19 120.40 120.75 1ajs s VAL 267 Ca 0.30 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 1ajs s VAL 267 Cb -0.12 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1ajs s VAL 267 CO 0.87 0.25 0.30 -0.83 0.00 0.00 0.00 175.10 175.69 1ajs s GLY 268 N 1.60 1.03 -0.12 4.51 0.00 -0.46 -1.16 107.32 112.71 1ajs s GLY 268 Ca 0.05 -1.32 -0.10 0.00 0.00 0.00 0.00 44.72 43.36 1ajs s GLY 268 CO 0.04 -1.04 0.31 0.21 0.00 0.00 0.00 173.10 172.63 1ajs s ASN 269 N -3.10 -0.34 -0.34 1.64 3.84 -0.31 -1.18 114.94 115.15 1ajs s ASN 269 Ca 0.31 0.65 -0.12 0.00 0.21 0.00 0.00 52.86 53.91 1ajs s ASN 269 Cb 0.03 0.62 -0.01 0.00 -0.55 0.00 0.00 41.25 41.34 1ajs s ASN 269 CO 0.11 -0.13 0.22 -0.22 -2.79 0.00 0.00 177.10 174.28 1ajs s LEU 270 N 0.53 4.48 -0.10 3.21 2.96 0.23 -0.24 118.68 129.74 1ajs s LEU 270 Ca -0.03 -0.57 -0.15 0.00 -0.22 0.00 0.00 54.13 53.17 1ajs s LEU 270 Cb -0.04 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1ajs s LEU 270 CO -0.03 -0.26 0.36 -0.89 -1.32 0.00 0.00 176.35 174.21 1ajs s THR 271 N 1.67 5.21 -0.10 3.68 2.01 0.24 -0.65 115.64 127.70 1ajs s THR 271 Ca 0.05 0.71 0.04 0.00 0.31 0.00 0.00 61.69 62.80 1ajs s THR 271 Cb -0.18 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 1ajs s THR 271 CO 0.09 0.44 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.55 1ajs s VAL 272 N -0.05 2.26 -0.17 3.82 1.01 0.92 -0.89 120.40 127.30 1ajs s VAL 272 Ca 0.21 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1ajs s VAL 272 Cb -0.14 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1ajs s VAL 272 CO 0.08 0.56 -0.20 -0.69 0.00 0.00 0.00 175.10 174.85 1ajs s VAL 273 N 0.22 2.00 0.35 2.92 1.01 -0.41 -0.96 120.40 125.53 1ajs s VAL 273 Ca -0.14 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.03 1ajs s VAL 273 Cb -0.17 -1.81 -0.06 0.00 0.00 0.00 0.00 36.38 34.34 1ajs s VAL 273 CO 0.07 0.53 -0.09 0.00 0.00 0.00 0.00 175.10 175.62 1ajs s ALA 274 N 1.26 2.98 0.16 5.51 0.00 -0.63 -1.89 121.76 129.15 1ajs s ALA 274 Ca 0.04 -2.10 -0.09 0.00 0.00 0.00 0.00 51.96 49.82 1ajs s ALA 274 Cb -0.13 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1ajs s ALA 274 CO -0.12 0.07 1.51 -0.22 0.00 0.00 0.00 175.76 177.00 1ajs h LYS 275 N 2.00 0.86 -5.79 0.00 3.64 -1.90 -3.46 116.57 111.92 1ajs h LYS 275 Ca -0.42 -0.44 -0.52 0.00 -1.27 0.00 0.00 60.65 58.00 1ajs h LYS 275 Cb 1.25 0.01 -0.24 0.00 -0.41 0.00 0.00 32.23 32.84 1ajs h LYS 275 CO 0.71 1.09 -0.82 -1.21 -2.27 0.00 0.00 179.45 176.95 1ajs s GLU 276 N -4.37 1.13 0.30 1.90 0.41 -1.26 -5.03 118.70 111.78 1ajs s GLU 276 Ca -0.10 -0.93 -0.02 0.00 -0.41 0.00 0.00 54.97 53.51 1ajs s GLU 276 Cb 0.11 -1.24 0.45 0.00 -1.78 0.00 0.00 34.13 31.68 1ajs s GLU 276 CO 0.87 0.30 1.97 -1.35 -0.49 0.00 0.00 175.26 176.56 1ajs h PRO 277 N 4.66 1.07 -0.10 0.39 0.11 -1.83 -2.67 132.00 133.63 1ajs h PRO 277 Ca -0.42 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1ajs h PRO 277 Cb 1.17 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1ajs h PRO 277 CO 0.43 0.71 -0.08 0.38 -0.21 0.00 0.00 178.00 179.23 1ajs h ASP 278 N 1.11 0.13 -0.67 -2.05 2.03 -1.97 -1.73 116.42 113.27 1ajs h ASP 278 Ca 0.30 -0.02 0.02 0.00 -0.73 0.00 0.00 57.03 56.60 1ajs h ASP 278 Cb -0.12 -0.03 -0.03 0.00 -0.83 0.00 0.00 39.33 38.31 1ajs h ASP 278 CO -0.06 0.24 0.44 0.28 -1.03 0.00 0.00 179.24 179.11 1ajs h SER 279 N 0.14 0.74 -0.56 4.15 0.02 -1.89 -3.00 113.55 113.15 1ajs h SER 279 Ca 0.03 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1ajs h SER 279 Cb 0.24 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1ajs h SER 279 CO 0.01 0.52 0.33 0.40 -1.14 0.00 0.00 176.83 176.96 1ajs h ILE 280 N 0.87 1.04 -0.35 3.27 1.08 -1.40 -0.55 117.51 121.47 1ajs h ILE 280 Ca 0.25 -0.22 -0.05 0.00 -0.39 0.00 0.00 64.86 64.45 1ajs h ILE 280 Cb -0.04 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.03 1ajs h ILE 280 CO -0.06 0.12 -0.01 -0.07 -0.69 0.00 0.00 178.15 177.44 1ajs h LEU 281 N 0.65 0.51 -0.19 1.44 3.38 -1.66 0.43 115.31 119.87 1ajs h LEU 281 Ca 0.23 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1ajs h LEU 281 Cb 0.05 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1ajs h LEU 281 CO -0.11 0.59 -0.26 0.03 0.09 0.00 0.00 178.44 178.78 1ajs h ARG 282 N 0.52 0.51 -0.09 1.13 3.08 -1.41 -1.71 114.38 116.41 1ajs h ARG 282 Ca 0.11 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 1ajs h ARG 282 Cb 0.35 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1ajs h ARG 282 CO 0.01 0.89 0.05 0.28 -1.07 0.00 0.00 179.97 180.14 1ajs h VAL 283 N 0.17 1.07 -0.46 2.04 2.07 -0.90 -2.61 116.25 117.62 1ajs h VAL 283 Ca 0.02 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1ajs h VAL 283 Cb 0.83 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1ajs h VAL 283 CO 0.06 0.06 0.14 -0.07 0.02 0.00 0.00 177.57 177.79 1ajs h LEU 284 N 0.08 0.62 -1.30 2.57 3.38 -0.92 -0.85 115.31 118.89 1ajs h LEU 284 Ca 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ajs h LEU 284 Cb 0.05 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1ajs h LEU 284 CO -0.01 0.60 0.45 0.77 0.09 0.00 0.00 178.44 180.34 1ajs h SER 285 N 0.67 0.80 0.15 -0.43 4.64 -0.95 -0.84 113.55 117.59 1ajs h SER 285 Ca 0.16 -0.03 -0.26 0.00 -0.47 0.00 0.00 61.79 61.19 1ajs h SER 285 Cb 0.20 -0.20 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1ajs h SER 285 CO -0.01 0.59 -1.04 1.56 -0.87 0.00 0.00 176.83 177.06 1ajs h GLN 286 N 0.94 0.58 -0.40 4.77 1.08 -1.04 -3.15 115.11 117.88 1ajs h GLN 286 Ca 0.25 -0.65 -0.03 0.00 -1.45 0.00 0.00 58.65 56.77 1ajs h GLN 286 Cb -0.09 0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 1ajs h GLN 286 CO -0.05 1.26 0.10 0.52 -0.95 0.00 0.00 178.83 179.71 1ajs h MET 287 N 0.32 0.59 -0.92 1.46 2.86 -0.71 -2.32 114.93 116.21 1ajs h MET 287 Ca -0.12 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.46 1ajs h MET 287 Cb 1.69 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 33.20 1ajs h MET 287 CO 0.20 0.54 0.60 1.96 1.06 0.00 0.00 176.91 181.26 1ajs h GLN 288 N 0.58 1.12 -0.58 1.72 4.20 -1.13 -0.52 115.11 120.51 1ajs h GLN 288 Ca 0.14 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 1ajs h GLN 288 Cb 0.21 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1ajs h GLN 288 CO -0.00 0.74 0.05 0.87 -0.67 0.00 0.00 178.83 179.82 1ajs h LYS 289 N 1.15 0.96 -0.12 1.46 1.79 -1.42 -0.89 116.57 119.49 1ajs h LYS 289 Ca 0.37 -0.26 -0.04 0.00 -2.18 0.00 0.00 60.65 58.54 1ajs h LYS 289 Cb 0.01 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1ajs h LYS 289 CO -0.12 0.91 -0.07 0.82 -1.08 0.00 0.00 179.45 179.92 1ajs h ILE 290 N 0.89 1.32 -0.64 1.86 2.04 -0.96 -3.15 117.51 118.87 1ajs h ILE 290 Ca 0.17 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 64.95 1ajs h ILE 290 Cb 0.46 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 1ajs h ILE 290 CO 0.02 0.32 0.39 0.58 0.00 0.00 0.00 178.15 179.46 1ajs h VAL 291 N -0.09 1.07 -0.81 1.67 2.07 -1.02 -2.98 116.25 116.17 1ajs h VAL 291 Ca 0.03 -0.26 0.16 0.00 0.82 0.00 0.00 66.70 67.44 1ajs h VAL 291 Cb 0.54 0.23 -0.10 0.00 -1.52 0.00 0.00 31.29 30.44 1ajs h VAL 291 CO 0.02 0.14 0.35 -0.09 0.02 0.00 0.00 177.57 178.01 1ajs h ARG 292 N 0.77 0.47 -0.19 1.57 9.65 -1.12 0.63 114.38 126.16 1ajs h ARG 292 Ca 0.26 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 1ajs h ARG 292 Cb 0.04 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.51 1ajs h ARG 292 CO -0.11 0.31 0.00 1.33 2.80 0.00 0.00 179.97 184.30 1ajs n VAL 293 N -4.97 0.24 -0.01 0.20 0.24 -1.14 -3.26 118.33 109.64 1ajs n VAL 293 Ca 0.16 -0.39 -0.02 0.00 -2.04 0.00 0.00 64.34 62.05 1ajs n VAL 293 Cb 0.46 0.43 -0.01 0.00 -1.47 0.00 0.00 33.84 33.25 1ajs n VAL 293 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1ajs n THR 294 N 0.44 0.82 -0.46 3.34 -1.04 -0.12 -4.91 114.28 112.35 1ajs n THR 294 Ca 0.16 0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.44 1ajs n THR 294 Cb 0.36 -1.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 1ajs n THR 294 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 1ajs n TRP 295 N -3.36 0.00 0.00 -1.42 2.14 -0.51 -5.05 117.44 109.24 1ajs n TRP 295 Ca -0.04 -0.02 0.00 0.00 2.07 0.00 0.00 57.50 59.52 1ajs n TRP 295 Cb 0.14 -0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.64 1ajs n TRP 295 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1ajs n SER 296 N -0.02 0.00 -3.52 -0.67 2.88 0.02 -4.69 113.62 107.63 1ajs n SER 296 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 1ajs n SER 296 Cb 0.13 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.55 1ajs n SER 296 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ajs s ASN 297 N 0.00 -0.51 0.51 -3.46 2.20 -1.26 -4.32 114.94 108.11 1ajs s ASN 297 Ca 0.00 0.18 -0.03 0.00 -0.94 0.00 0.00 52.86 52.07 1ajs s ASN 297 Cb 0.00 0.53 -0.00 0.00 -2.00 0.00 0.00 41.25 39.78 1ajs s ASN 297 CO 0.00 -0.79 0.79 -2.16 -2.94 0.00 0.00 177.10 172.00 1ajs s PRO 298 N -2.73 3.08 0.67 3.55 0.04 -1.26 -5.04 135.00 133.30 1ajs s PRO 298 Ca -0.04 -0.17 -0.13 0.00 0.04 0.00 0.00 61.00 60.71 1ajs s PRO 298 Cb -0.00 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1ajs s PRO 298 CO -0.04 -0.44 1.07 -1.25 0.04 0.00 0.00 177.00 176.38 1ajs s PRO 299 N -4.77 2.93 -0.21 0.56 0.04 -1.26 -4.68 135.00 127.60 1ajs s PRO 299 Ca 0.50 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.72 1ajs s PRO 299 Cb -0.10 -1.98 -0.20 0.00 0.04 0.00 0.00 34.50 32.25 1ajs s PRO 299 CO 0.42 -1.12 -0.02 0.00 0.04 0.00 0.00 177.00 176.33 1ajs n ALA 300 N -2.73 1.35 -0.06 8.56 0.00 -1.26 -4.52 120.51 121.85 1ajs n ALA 300 Ca 0.09 -1.03 -0.12 0.00 0.00 0.00 0.00 53.44 52.38 1ajs n ALA 300 Cb 0.53 -0.26 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 1ajs n ALA 300 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ajs h GLN 301 N 0.01 -0.41 -0.31 0.00 5.75 -1.95 -0.26 115.11 117.94 1ajs h GLN 301 Ca -0.53 0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1ajs h GLN 301 Cb 1.99 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 30.62 1ajs h GLN 301 CO -0.03 -0.28 0.19 0.78 -2.65 0.00 0.00 178.83 176.85 1ajs h GLY 302 N -0.43 0.45 1.70 2.39 0.00 -1.84 -2.22 103.07 103.12 1ajs h GLY 302 Ca 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 1ajs h GLY 302 CO -0.49 0.18 0.09 0.00 0.00 0.00 0.00 176.54 176.32 1ajs h ALA 303 N 1.08 1.64 -0.45 3.60 0.00 -1.70 -1.61 119.26 121.82 1ajs h ALA 303 Ca 0.11 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1ajs h ALA 303 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ajs h ALA 303 CO -0.02 0.28 -0.19 0.00 0.00 0.00 0.00 179.25 179.32 1ajs h ARG 304 N 0.39 0.92 -0.08 0.00 3.08 -0.68 0.01 114.38 118.03 1ajs h ARG 304 Ca 0.10 -0.39 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 1ajs h ARG 304 Cb 0.11 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1ajs h ARG 304 CO -0.01 1.05 0.04 0.82 -1.07 0.00 0.00 179.97 180.81 1ajs h ILE 305 N 0.76 1.07 -0.18 2.04 2.04 -0.79 -0.56 117.51 121.88 1ajs h ILE 305 Ca 0.10 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1ajs h ILE 305 Cb 0.76 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1ajs h ILE 305 CO 0.06 0.06 0.02 0.58 0.00 0.00 0.00 178.15 178.87 1ajs h VAL 306 N 0.05 1.23 -0.86 1.67 2.07 -1.25 -1.44 116.25 117.72 1ajs h VAL 306 Ca 0.03 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1ajs h VAL 306 Cb 0.06 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1ajs h VAL 306 CO -0.00 0.23 0.53 0.00 0.02 0.00 0.00 177.57 178.35 1ajs h ALA 307 N 0.81 1.09 -0.75 1.67 0.00 -0.95 -0.93 119.26 120.20 1ajs h ALA 307 Ca 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1ajs h ALA 307 Cb 0.33 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1ajs h ALA 307 CO 0.01 0.53 0.26 0.00 0.00 0.00 0.00 179.25 180.05 1ajs h ARG 308 N 1.17 1.15 -0.10 0.00 3.08 -0.97 -2.13 114.38 116.58 1ajs h ARG 308 Ca 0.31 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1ajs h ARG 308 Cb -0.08 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 1ajs h ARG 308 CO -0.06 0.97 -0.03 1.15 -1.07 0.00 0.00 179.97 180.92 1ajs h THR 309 N 1.11 1.30 0.00 2.04 2.02 -0.82 -3.05 112.91 115.51 1ajs h THR 309 Ca 0.25 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1ajs h THR 309 Cb 0.28 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1ajs h THR 309 CO -0.01 0.28 0.00 -0.07 0.37 0.00 0.00 175.52 176.09 1ajs h LEU 310 N -0.14 0.00 -1.21 2.58 3.38 -1.12 -2.58 115.31 116.22 1ajs h LEU 310 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ajs h LEU 310 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1ajs h LEU 310 CO 0.01 0.00 -0.32 -1.54 0.09 0.00 0.00 178.44 176.68 1ajs n SER 311 N -2.68 2.18 -4.26 -0.43 3.41 -0.81 -4.82 113.62 106.20 1ajs n SER 311 Ca 0.02 -1.59 -0.35 0.00 -0.26 0.00 0.00 58.87 56.70 1ajs n SER 311 Cb 0.33 0.35 -0.14 0.00 -0.26 0.00 0.00 64.21 64.48 1ajs n SER 311 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ajs s ASP 312 N -2.19 4.06 0.27 4.04 -1.08 -1.16 -5.00 116.67 115.61 1ajs s ASP 312 Ca 0.19 -0.48 -0.01 0.00 -0.52 0.00 0.00 52.55 51.74 1ajs s ASP 312 Cb 0.17 -1.68 0.49 0.00 -1.46 0.00 0.00 42.92 40.44 1ajs s ASP 312 CO 0.46 -0.02 1.83 1.55 0.52 0.00 0.00 175.17 179.51 1ajs h PRO 313 N 8.07 0.92 -0.35 4.34 0.13 -1.88 0.15 132.00 143.39 1ajs h PRO 313 Ca -0.42 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 1ajs h PRO 313 Cb 1.15 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1ajs h PRO 313 CO 0.61 0.61 -0.10 1.49 -0.23 0.00 0.00 178.00 180.38 1ajs h GLU 314 N 0.95 0.69 -0.43 0.86 4.81 -1.94 -1.14 114.58 118.38 1ajs h GLU 314 Ca 0.46 -0.27 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 1ajs h GLU 314 Cb 0.42 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1ajs h GLU 314 CO -0.25 0.86 -0.25 -0.07 -0.73 0.00 0.00 179.01 178.57 1ajs h LEU 315 N 0.47 0.93 -0.48 1.64 4.07 -1.71 -2.05 115.31 118.19 1ajs h LEU 315 Ca 0.09 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.68 1ajs h LEU 315 Cb 0.62 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 1ajs h LEU 315 CO 0.04 1.13 0.30 0.15 -1.08 0.00 0.00 178.44 178.98 1ajs h PHE 316 N 0.77 0.61 -0.49 1.13 3.57 -0.30 0.86 116.94 123.10 1ajs h PHE 316 Ca 0.10 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1ajs h PHE 316 Cb 0.81 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 1ajs h PHE 316 CO 0.05 0.41 0.28 1.25 -2.23 0.00 0.00 178.31 178.07 1ajs h HIS 317 N 0.64 0.51 -0.56 0.41 2.76 -1.07 0.69 115.15 118.53 1ajs h HIS 317 Ca 0.17 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.31 1ajs h HIS 317 Cb -0.04 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 1ajs h HIS 317 CO -0.03 0.28 0.14 1.49 -1.30 0.00 0.00 177.93 178.51 1ajs h GLU 318 N 0.55 0.89 -0.31 5.26 4.81 -0.99 -2.53 114.58 122.25 1ajs h GLU 318 Ca 0.20 -0.21 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1ajs h GLU 318 Cb 0.05 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1ajs h GLU 318 CO -0.11 0.83 0.16 2.35 -0.73 0.00 0.00 179.01 181.51 1ajs h TRP 319 N 0.79 0.30 -0.69 0.92 7.01 -0.41 -1.09 115.95 122.78 1ajs h TRP 319 Ca 0.18 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.26 1ajs h TRP 319 Cb 0.33 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.26 1ajs h TRP 319 CO 0.02 0.16 0.46 1.79 -2.79 0.00 0.00 178.44 178.08 1ajs h THR 320 N 0.33 1.00 -0.40 2.65 1.35 -0.63 0.04 112.91 117.25 1ajs h THR 320 Ca 0.13 -0.23 -0.04 0.00 -0.55 0.00 0.00 66.41 65.71 1ajs h THR 320 Cb 0.04 0.26 -0.02 0.00 -1.73 0.00 0.00 68.15 66.70 1ajs h THR 320 CO -0.08 0.12 0.07 1.23 -0.25 0.00 0.00 175.52 176.61 1ajs h GLY 321 N 0.68 0.70 1.05 5.82 0.00 -0.91 -1.66 103.07 108.75 1ajs h GLY 321 Ca 0.30 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1ajs h GLY 321 CO -0.10 0.43 0.48 3.43 0.00 0.00 0.00 176.54 180.78 1ajs h ASN 322 N 0.51 1.12 -0.33 0.19 -0.26 -0.12 -1.58 115.58 115.10 1ajs h ASN 322 Ca 0.12 -0.10 -0.06 0.00 -0.56 0.00 0.00 56.30 55.70 1ajs h ASN 322 Cb 0.35 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 1ajs h ASN 322 CO 0.01 0.90 -0.02 0.58 -1.06 0.00 0.00 177.43 177.84 1ajs h VAL 323 N 1.25 1.26 -0.84 2.81 2.07 -0.87 -2.88 116.25 119.06 1ajs h VAL 323 Ca 0.31 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1ajs h VAL 323 Cb 0.03 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1ajs h VAL 323 CO -0.05 0.33 0.47 0.50 0.02 0.00 0.00 177.57 178.84 1ajs h LYS 324 N 0.40 1.15 -0.55 1.57 3.64 -1.05 -1.17 116.57 120.56 1ajs h LYS 324 Ca 0.09 -0.12 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1ajs h LYS 324 Cb 0.48 -0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 1ajs h LYS 324 CO 0.02 0.83 0.22 1.15 -2.27 0.00 0.00 179.45 179.40 1ajs h THR 325 N 1.16 0.84 -0.16 1.00 2.02 -1.13 0.61 112.91 117.26 1ajs h THR 325 Ca 0.30 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 1ajs h THR 325 Cb -0.00 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1ajs h THR 325 CO -0.05 0.08 0.04 0.24 0.37 0.00 0.00 175.52 176.20 1ajs h MET 326 N 0.42 0.26 -0.89 6.66 2.86 -1.17 -2.20 114.93 120.88 1ajs h MET 326 Ca 0.26 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1ajs h MET 326 Cb 0.27 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 1ajs h MET 326 CO -0.25 0.39 0.50 0.00 1.06 0.00 0.00 176.91 178.62 1ajs h ALA 327 N 0.85 1.13 -0.49 6.32 0.00 -0.89 -2.39 119.26 123.80 1ajs h ALA 327 Ca 0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1ajs h ALA 327 Cb 0.25 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1ajs h ALA 327 CO -0.00 0.63 -0.11 -0.44 0.00 0.00 0.00 179.25 179.33 1ajs h ASP 328 N 1.23 0.90 -0.63 0.00 3.32 -0.82 -0.88 116.42 119.55 1ajs h ASP 328 Ca 0.31 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 1ajs h ASP 328 Cb 0.01 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 1ajs h ASP 328 CO -0.05 1.02 0.15 -0.09 -1.72 0.00 0.00 179.24 178.55 1ajs h ARG 329 N 0.81 1.00 -0.50 3.56 2.43 -1.11 0.43 114.38 121.01 1ajs h ARG 329 Ca 0.13 -0.24 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 1ajs h ARG 329 Cb 0.63 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1ajs h ARG 329 CO 0.04 0.91 0.02 0.82 -1.51 0.00 0.00 179.97 180.25 1ajs h ILE 330 N 0.92 1.26 -0.57 1.20 2.04 -1.16 -1.39 117.51 119.82 1ajs h ILE 330 Ca 0.20 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1ajs h ILE 330 Cb 0.36 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1ajs h ILE 330 CO 0.00 0.37 0.37 -0.07 0.00 0.00 0.00 178.15 178.82 1ajs h LEU 331 N 0.74 0.66 -0.38 1.44 3.38 -0.94 -1.45 115.31 118.75 1ajs h LEU 331 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ajs h LEU 331 Cb 0.49 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1ajs h LEU 331 CO 0.02 0.48 0.25 -1.28 0.09 0.00 0.00 178.44 178.00 1ajs h SER 332 N 0.77 0.44 -0.89 -0.43 0.87 -0.64 -1.27 113.55 112.40 1ajs h SER 332 Ca 0.21 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1ajs h SER 332 Cb -0.08 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.73 1ajs h SER 332 CO -0.04 0.32 0.49 0.24 -0.53 0.00 0.00 176.83 177.31 1ajs h MET 333 N 0.52 1.23 -0.13 2.24 2.86 -0.91 -0.66 114.93 120.08 1ajs h MET 333 Ca 0.14 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1ajs h MET 333 Cb -0.05 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.36 1ajs h MET 333 CO -0.03 0.90 0.06 0.00 1.06 0.00 0.00 176.91 178.90 1ajs h ARG 334 N 1.24 0.20 -0.46 1.72 3.08 -0.99 0.04 114.38 119.20 1ajs h ARG 334 Ca 0.31 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 1ajs h ARG 334 Cb 0.02 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1ajs h ARG 334 CO -0.05 0.28 0.22 1.03 -1.07 0.00 0.00 179.97 180.38 1ajs h SER 335 N 0.07 0.60 -0.44 7.04 0.87 -1.00 -1.92 113.55 118.77 1ajs h SER 335 Ca 0.04 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.37 1ajs h SER 335 Cb 0.15 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1ajs h SER 335 CO -0.00 0.55 -0.14 -0.33 -0.53 0.00 0.00 176.83 176.38 1ajs h GLU 336 N 0.60 0.87 -0.20 2.24 4.39 -1.07 -1.66 114.58 119.75 1ajs h GLU 336 Ca 0.16 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 1ajs h GLU 336 Cb 0.11 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1ajs h GLU 336 CO -0.02 0.99 0.10 1.25 -1.16 0.00 0.00 179.01 180.17 1ajs h LEU 337 N 0.70 0.26 -0.37 1.33 5.85 -0.88 -1.41 115.31 120.79 1ajs h LEU 337 Ca 0.11 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1ajs h LEU 337 Cb 0.69 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1ajs h LEU 337 CO 0.05 0.30 0.20 -0.09 -0.34 0.00 0.00 178.44 178.55 1ajs h ARG 338 N 0.21 0.52 -0.48 1.25 2.43 -1.30 -1.46 114.38 115.55 1ajs h ARG 338 Ca 0.07 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 1ajs h ARG 338 Cb 0.10 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.48 1ajs h ARG 338 CO -0.01 0.44 0.09 0.00 -1.51 0.00 0.00 179.97 178.98 1ajs h ALA 339 N 1.05 0.53 -0.49 2.80 0.00 -1.20 -0.35 119.26 121.60 1ajs h ALA 339 Ca 0.13 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1ajs h ALA 339 Cb 0.07 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1ajs h ALA 339 CO -0.02 -0.32 -0.08 0.00 0.00 0.00 0.00 179.25 178.83 1ajs h ARG 340 N 0.22 0.88 -0.44 0.00 3.08 -0.99 -0.39 114.38 116.73 1ajs h ARG 340 Ca 0.24 -0.29 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1ajs h ARG 340 Cb 0.32 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1ajs h ARG 340 CO -0.32 0.92 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.32 1ajs h LEU 341 N 0.79 0.78 -0.40 3.04 3.38 -0.67 -2.22 115.31 120.00 1ajs h LEU 341 Ca 0.14 -0.23 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 1ajs h LEU 341 Cb 0.59 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1ajs h LEU 341 CO 0.04 0.91 -0.79 -0.33 0.09 0.00 0.00 178.44 178.36 1ajs h GLU 342 N 0.72 0.20 -0.21 1.13 5.08 -0.90 -1.71 114.58 118.90 1ajs h GLU 342 Ca 0.12 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1ajs h GLU 342 Cb 0.59 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1ajs h GLU 342 CO 0.04 0.89 -0.17 0.00 -1.00 0.00 0.00 179.01 178.76 1ajs h ALA 343 N 1.05 1.32 -0.00 3.43 0.00 -0.83 -1.65 119.26 122.58 1ajs h ALA 343 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ajs h ALA 343 Cb 1.38 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ajs h ALA 343 CO 0.12 0.45 -0.02 1.28 0.00 0.00 0.00 179.25 181.09 1ajs n LEU 344 N -4.20 0.47 -3.76 0.00 4.77 -0.86 -4.92 117.00 108.51 1ajs n LEU 344 Ca -0.00 -0.12 -0.24 0.00 -0.03 0.00 0.00 56.01 55.61 1ajs n LEU 344 Cb 0.33 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.41 1ajs n LEU 344 CO 0.40 0.08 0.01 0.29 -1.33 0.00 0.00 177.39 176.84 1ajs n LYS 345 N -0.69 -5.32 -2.21 3.23 4.01 -0.62 -4.91 118.16 111.65 1ajs n LYS 345 Ca 0.21 0.63 -0.41 0.00 -0.51 0.00 0.00 58.31 58.23 1ajs n LYS 345 Cb 0.21 -5.34 -0.03 0.00 -0.51 0.00 0.00 35.03 29.36 1ajs n LYS 345 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1ajs s THR 346 N -3.52 3.14 0.48 -0.18 2.01 -0.65 -4.96 115.64 111.95 1ajs s THR 346 Ca 0.26 0.97 -0.24 0.00 0.31 0.00 0.00 61.69 62.99 1ajs s THR 346 Cb -0.13 -3.62 -0.08 0.00 0.01 0.00 0.00 72.50 68.69 1ajs s THR 346 CO 0.81 0.16 1.33 -2.65 -0.69 0.00 0.00 174.62 173.59 1ajs n PRO 347 N 2.27 1.91 0.00 4.92 -0.02 -1.26 -4.80 135.00 138.02 1ajs n PRO 347 Ca 0.05 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1ajs n PRO 347 Cb 0.43 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1ajs n PRO 347 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ajs n GLY 348 N 0.75 -3.25 3.80 -1.23 0.00 -1.26 -4.99 105.19 99.01 1ajs n GLY 348 Ca 0.08 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 1ajs n GLY 348 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ajs s THR 349 N -0.67 4.83 -0.05 2.61 -4.23 -1.26 -5.02 115.64 111.85 1ajs s THR 349 Ca 0.00 -0.37 0.08 0.00 -1.18 0.00 0.00 61.69 60.22 1ajs s THR 349 Cb 0.00 -3.21 0.12 0.00 1.34 0.00 0.00 72.50 70.74 1ajs s THR 349 CO 0.00 0.35 1.00 0.79 -0.54 0.00 0.00 174.62 176.22 1ajs n TRP 350 N 1.16 0.00 0.27 3.99 7.02 -1.26 -4.75 117.44 123.87 1ajs n TRP 350 Ca -0.13 -0.47 0.16 0.00 -1.02 0.00 0.00 57.50 56.05 1ajs n TRP 350 Cb 0.53 -0.08 0.58 0.00 -2.42 0.00 0.00 31.31 29.91 1ajs n TRP 350 CO 0.00 0.00 0.00 -2.95 -2.02 0.00 0.00 177.69 172.72 1ajs h ASN 351 N 0.00 0.00 -0.09 -0.99 -1.07 -1.98 -2.40 115.58 109.05 1ajs h ASN 351 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 56.30 56.40 1ajs h ASN 351 Cb 1.08 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.32 1ajs h ASN 351 CO 0.00 0.00 0.07 1.12 0.07 0.00 0.00 177.43 178.69 1ajs h HIS 352 N 0.00 0.00 -0.40 4.14 2.07 -1.86 0.73 115.15 119.83 1ajs h HIS 352 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 1ajs h HIS 352 Cb 0.60 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.56 1ajs h HIS 352 CO 0.00 0.00 0.16 0.82 -3.07 0.00 0.00 177.93 175.84 1ajs h ILE 353 N 0.00 1.15 0.00 6.12 1.08 -1.79 -0.02 117.51 124.05 1ajs h ILE 353 Ca 0.04 -0.47 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1ajs h ILE 353 Cb 0.18 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 1ajs h ILE 353 CO -0.00 0.18 -1.18 0.35 -0.69 0.00 0.00 178.15 176.81 1ajs n THR 354 N -4.38 0.00 0.09 -0.27 -2.24 -0.67 -4.24 114.28 102.55 1ajs n THR 354 Ca 0.03 -0.20 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 1ajs n THR 354 Cb 0.14 0.67 -0.04 0.00 -2.10 0.00 0.00 70.33 69.00 1ajs n THR 354 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ajs h ASP 355 N 0.00 0.19 -4.26 3.42 3.32 -0.49 -3.45 116.42 115.15 1ajs h ASP 355 Ca 0.00 -0.17 -0.52 0.00 0.02 0.00 0.00 57.03 56.36 1ajs h ASP 355 Cb 0.56 -0.06 0.13 0.00 0.22 0.00 0.00 39.33 40.18 1ajs h ASP 355 CO 0.00 1.03 0.33 -1.10 -1.72 0.00 0.00 179.24 177.78 1ajs s GLN 356 N -3.03 2.25 -0.01 3.56 -0.21 -0.06 -4.85 119.66 117.31 1ajs s GLN 356 Ca -0.02 1.35 0.04 0.00 0.02 0.00 0.00 55.36 56.75 1ajs s GLN 356 Cb 0.10 -1.88 -0.01 0.00 1.00 0.00 0.00 33.01 32.22 1ajs s GLN 356 CO 0.83 -1.67 -0.12 0.42 -2.12 0.00 0.00 175.29 172.63 1ajs s ILE 357 N -2.59 0.94 0.00 1.08 1.01 0.14 -5.00 121.20 116.78 1ajs s ILE 357 Ca 0.65 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1ajs s ILE 357 Cb -0.20 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.48 1ajs s ILE 357 CO 0.50 0.27 0.00 0.61 0.00 0.00 0.00 174.94 176.32 1ajs n GLY 358 N 2.87 -1.79 0.25 6.18 0.00 -1.26 -4.39 105.19 107.05 1ajs n GLY 358 Ca -0.15 -1.87 -0.08 0.00 0.00 0.00 0.00 46.02 43.92 1ajs n GLY 358 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ajs h MET 359 N 0.00 0.71 -5.89 1.61 2.86 -1.92 -3.46 114.93 108.83 1ajs h MET 359 Ca 0.00 -0.31 -0.63 0.00 -2.06 0.00 0.00 59.70 56.70 1ajs h MET 359 Cb 0.00 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.59 1ajs h MET 359 CO 0.00 0.92 -0.40 -0.06 1.06 0.00 0.00 176.91 178.42 1ajs s PHE 360 N -4.47 3.57 -0.01 -0.22 0.08 -1.26 0.08 117.98 115.75 1ajs s PHE 360 Ca -0.09 0.54 0.00 0.00 0.12 0.00 0.00 56.93 57.50 1ajs s PHE 360 Cb 0.13 -1.96 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 1ajs s PHE 360 CO 0.83 0.62 0.01 0.45 -0.10 0.00 0.00 175.22 177.03 1ajs s SER 361 N -1.75 0.08 -0.45 1.36 0.15 -0.39 -3.45 113.70 109.25 1ajs s SER 361 Ca 0.28 0.01 -0.21 0.00 0.70 0.00 0.00 55.95 56.73 1ajs s SER 361 Cb -0.13 -0.04 0.03 0.00 -1.71 0.00 0.00 66.02 64.17 1ajs s SER 361 CO 0.17 -0.05 0.65 -0.36 1.20 0.00 0.00 173.24 174.85 1ajs s PHE 362 N 0.41 3.05 0.12 3.44 0.40 -0.93 -1.26 117.98 123.22 1ajs s PHE 362 Ca -0.03 -0.11 0.15 0.00 -0.60 0.00 0.00 56.93 56.34 1ajs s PHE 362 Cb -0.05 -3.39 0.38 0.00 0.51 0.00 0.00 43.02 40.47 1ajs s PHE 362 CO -0.01 -0.90 1.60 1.79 0.70 0.00 0.00 175.22 178.39 1ajs h THR 363 N 5.88 1.11 0.00 0.64 1.35 -1.79 -3.48 112.91 116.62 1ajs h THR 363 Ca -0.26 -2.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.58 1ajs h THR 363 Cb 1.09 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 1ajs h THR 363 CO 0.91 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 177.31 1ajs n GLY 364 N 0.56 0.58 3.77 5.82 0.00 -1.26 -5.03 105.19 109.63 1ajs n GLY 364 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1ajs n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ajs s LEU 365 N 0.00 4.04 0.58 0.99 1.43 -1.26 -5.03 118.68 119.43 1ajs s LEU 365 Ca 0.00 2.35 -0.02 0.00 -1.03 0.00 0.00 54.13 55.43 1ajs s LEU 365 Cb 0.00 -4.19 0.03 0.00 0.03 0.00 0.00 46.19 42.06 1ajs s LEU 365 CO 0.00 -0.91 0.84 0.54 0.23 0.00 0.00 176.35 177.05 1ajs s ASN 366 N -1.27 5.29 0.39 2.29 2.20 -1.26 -4.30 114.94 118.28 1ajs s ASN 366 Ca 0.63 0.25 0.08 0.00 -0.94 0.00 0.00 52.86 52.88 1ajs s ASN 366 Cb -0.30 -1.15 0.84 0.00 -2.00 0.00 0.00 41.25 38.64 1ajs s ASN 366 CO 0.37 -1.18 1.98 -0.65 -2.94 0.00 0.00 177.10 174.68 1ajs h PRO 367 N -0.08 0.61 -0.32 3.55 0.11 -1.96 0.19 132.00 134.10 1ajs h PRO 367 Ca -0.44 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 1ajs h PRO 367 Cb 1.29 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1ajs h PRO 367 CO 0.56 0.41 -0.43 0.87 -0.21 0.00 0.00 178.00 179.19 1ajs h LYS 368 N 0.63 0.83 -0.17 1.05 6.56 -1.94 -0.83 116.57 122.69 1ajs h LYS 368 Ca 0.28 -0.46 -0.13 0.00 -1.06 0.00 0.00 60.65 59.28 1ajs h LYS 368 Cb 0.28 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.96 1ajs h LYS 368 CO -0.09 1.09 -0.46 1.96 -2.06 0.00 0.00 179.45 179.89 1ajs h GLN 369 N 0.67 0.43 -0.23 3.15 4.20 -1.66 -2.03 115.11 119.63 1ajs h GLN 369 Ca 0.04 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 1ajs h GLN 369 Cb 1.01 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 1ajs h GLN 369 CO 0.10 0.81 0.04 0.28 -0.67 0.00 0.00 178.83 179.38 1ajs h VAL 370 N 0.34 1.23 -0.67 -0.54 2.07 -0.75 -2.18 116.25 115.76 1ajs h VAL 370 Ca 0.02 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 66.84 1ajs h VAL 370 Cb 0.95 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 1ajs h VAL 370 CO 0.08 0.24 0.37 -0.08 0.02 0.00 0.00 177.57 178.20 1ajs h GLU 371 N 0.19 0.65 0.09 1.57 4.81 -1.03 -0.58 114.58 120.27 1ajs h GLU 371 Ca 0.07 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1ajs h GLU 371 Cb 0.32 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1ajs h GLU 371 CO 0.00 0.43 -0.12 -0.92 -0.73 0.00 0.00 179.01 177.68 1ajs h TYR 372 N 0.67 -0.30 -0.92 0.92 5.03 -1.27 0.20 116.97 121.30 1ajs h TYR 372 Ca 0.30 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.67 1ajs h TYR 372 Cb 0.20 0.12 -0.06 0.00 1.55 0.00 0.00 36.73 38.54 1ajs h TYR 372 CO -0.08 -0.18 0.59 -0.07 -1.32 0.00 0.00 178.16 177.10 1ajs h LEU 373 N -0.24 0.96 0.52 2.82 3.38 -0.74 0.94 115.31 122.95 1ajs h LEU 373 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1ajs h LEU 373 Cb 0.25 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ajs h LEU 373 CO -0.05 0.63 -0.25 0.40 0.09 0.00 0.00 178.44 179.26 1ajs h ILE 374 N 1.10 0.02 0.41 1.22 2.04 -0.82 -0.71 117.51 120.78 1ajs h ILE 374 Ca 0.39 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1ajs h ILE 374 Cb 0.10 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 1ajs h ILE 374 CO -0.15 0.00 -0.30 0.78 0.00 0.00 0.00 178.15 178.49 1ajs h ASN 375 N -1.18 -0.76 0.24 1.72 2.35 -0.52 -1.61 115.58 115.81 1ajs h ASN 375 Ca -0.07 0.05 -0.34 0.00 -0.55 0.00 0.00 56.30 55.39 1ajs h ASN 375 Cb 0.55 0.24 0.02 0.00 0.05 0.00 0.00 38.32 39.17 1ajs h ASN 375 CO 0.12 -0.45 -1.67 1.56 -1.65 0.00 0.00 177.43 175.34 1ajs h GLN 376 N -0.70 0.42 -0.02 0.81 7.50 0.76 -3.40 115.11 120.48 1ajs h GLN 376 Ca -0.04 -0.71 0.00 0.00 0.50 0.00 0.00 58.65 58.40 1ajs h GLN 376 Cb 0.59 0.27 0.00 0.00 0.05 0.00 0.00 27.48 28.39 1ajs h GLN 376 CO 0.01 1.33 -0.18 1.63 -1.50 0.00 0.00 178.83 180.12 1ajs n LYS 377 N -3.61 1.57 -2.32 1.46 4.76 -0.39 -4.97 118.16 114.66 1ajs n LYS 377 Ca -0.22 -1.21 -0.15 0.00 -2.87 0.00 0.00 58.31 53.86 1ajs n LYS 377 Cb 1.08 -1.33 -0.00 0.00 -1.84 0.00 0.00 35.03 32.93 1ajs n LYS 377 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1ajs n HIS 378 N 0.46 -0.74 -3.76 2.13 8.25 -0.50 -4.66 115.22 116.39 1ajs n HIS 378 Ca 0.09 0.03 -0.38 0.00 -0.26 0.00 0.00 57.72 57.20 1ajs n HIS 378 Cb 0.41 -3.10 -0.13 0.00 1.12 0.00 0.00 29.99 28.30 1ajs n HIS 378 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ajs s ILE 379 N -2.74 3.79 -0.23 1.59 1.01 -0.49 -0.62 121.20 123.51 1ajs s ILE 379 Ca 0.02 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.49 1ajs s ILE 379 Cb -0.01 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1ajs s ILE 379 CO 0.02 -0.10 0.36 -0.31 0.00 0.00 0.00 174.94 174.91 1ajs s TYR 380 N 1.42 3.33 0.22 3.97 1.51 0.16 -2.70 117.35 125.26 1ajs s TYR 380 Ca -0.01 0.51 -0.17 0.00 -1.01 0.00 0.00 57.07 56.39 1ajs s TYR 380 Cb -0.19 -2.51 0.02 0.00 -0.11 0.00 0.00 41.96 39.17 1ajs s TYR 380 CO 0.02 -0.07 0.56 -0.48 -1.11 0.00 0.00 175.55 174.47 1ajs s LEU 381 N 1.52 0.04 0.50 -1.29 2.34 -1.26 0.87 118.68 121.39 1ajs s LEU 381 Ca 0.16 -0.58 -0.18 0.00 0.06 0.00 0.00 54.13 53.60 1ajs s LEU 381 Cb -0.15 2.20 -0.08 0.00 -0.56 0.00 0.00 46.19 47.60 1ajs s LEU 381 CO 0.08 -1.13 0.99 -0.76 -1.06 0.00 0.00 176.35 174.47 1ajs s LEU 382 N -2.91 3.71 0.66 1.48 1.43 -1.21 -4.93 118.68 116.91 1ajs s LEU 382 Ca 0.12 1.66 0.40 0.00 -1.03 0.00 0.00 54.13 55.28 1ajs s LEU 382 Cb -0.02 -4.52 2.19 0.00 0.03 0.00 0.00 46.19 43.86 1ajs s LEU 382 CO 0.01 -0.61 2.23 -0.65 0.23 0.00 0.00 176.35 177.57 1ajs h PRO 383 N 1.18 0.00 0.00 1.29 0.11 -1.95 0.31 132.00 132.94 1ajs h PRO 383 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ajs h PRO 383 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ajs h PRO 383 CO 0.61 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.27 1ajs n SER 384 N -3.00 0.21 0.00 -2.05 3.41 -1.26 -4.09 113.62 106.84 1ajs n SER 384 Ca -0.03 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1ajs n SER 384 Cb 0.15 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1ajs n SER 384 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ajs n GLY 385 N 0.82 0.73 3.72 5.00 0.00 0.11 -4.76 105.19 110.80 1ajs n GLY 385 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1ajs n GLY 385 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ajs s ARG 386 N -0.34 4.43 0.17 1.61 3.52 -1.25 -2.52 118.95 124.57 1ajs s ARG 386 Ca 0.00 1.87 0.08 0.00 -0.13 0.00 0.00 55.73 57.56 1ajs s ARG 386 Cb 0.00 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 1ajs s ARG 386 CO 0.00 -0.23 -0.18 0.96 -0.81 0.00 0.00 175.30 175.04 1ajs s ILE 387 N 0.65 1.81 -0.28 4.11 -4.36 -0.38 -3.28 121.20 119.46 1ajs s ILE 387 Ca 0.58 -1.96 -0.09 0.00 -0.26 0.00 0.00 60.65 58.91 1ajs s ILE 387 Cb -0.32 -1.87 -0.02 0.00 1.25 0.00 0.00 42.46 41.49 1ajs s ILE 387 CO 0.32 -0.36 0.12 0.21 0.24 0.00 0.00 174.94 175.48 1ajs s ASN 388 N -2.77 5.46 0.64 4.36 3.84 -0.05 -1.27 114.94 125.15 1ajs s ASN 388 Ca 0.17 -0.28 0.36 0.00 0.21 0.00 0.00 52.86 53.32 1ajs s ASN 388 Cb -0.05 -1.99 2.04 0.00 -0.55 0.00 0.00 41.25 40.70 1ajs s ASN 388 CO 0.07 -0.10 2.23 0.24 -2.79 0.00 0.00 177.10 176.75 1ajs h MET 389 N 8.31 0.00 0.00 0.43 2.86 -0.69 -0.79 114.93 125.05 1ajs h MET 389 Ca -0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 1ajs h MET 389 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1ajs h MET 389 CO 0.59 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.56 1ajs n GLY 391 N 0.52 -1.65 3.82 0.00 0.00 -0.30 -4.55 105.19 103.02 1ajs n GLY 391 Ca 0.06 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1ajs n GLY 391 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ajs s LEU 392 N -4.41 4.43 0.14 0.99 1.43 -0.89 -4.69 118.68 115.69 1ajs s LEU 392 Ca 0.10 1.32 -0.02 0.00 -1.03 0.00 0.00 54.13 54.50 1ajs s LEU 392 Cb 0.13 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 1ajs s LEU 392 CO 0.62 0.15 0.08 0.42 0.23 0.00 0.00 176.35 177.85 1ajs s THR 393 N -1.33 0.09 0.57 5.49 -4.23 -1.26 -4.88 115.64 110.08 1ajs s THR 393 Ca 0.36 -1.89 0.26 0.00 -1.18 0.00 0.00 61.69 59.24 1ajs s THR 393 Cb -0.18 -2.09 0.34 0.00 1.34 0.00 0.00 72.50 71.91 1ajs s THR 393 CO 0.21 -0.39 2.18 0.71 -0.54 0.00 0.00 174.62 176.78 1ajs h THR 394 N 2.81 0.65 0.00 3.99 1.35 -1.98 -1.90 112.91 117.83 1ajs h THR 394 Ca -0.35 0.00 -0.22 0.00 -0.55 0.00 0.00 66.41 65.29 1ajs h THR 394 Cb 1.21 0.95 -0.03 0.00 -1.73 0.00 0.00 68.15 68.55 1ajs h THR 394 CO 0.58 0.00 -1.11 0.11 -0.25 0.00 0.00 175.52 174.85 1ajs h LYS 395 N 0.00 0.00 -0.01 4.72 1.57 -1.95 -3.37 116.57 117.52 1ajs h LYS 395 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1ajs h LYS 395 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1ajs h LYS 395 CO -0.00 0.90 -0.29 0.27 -0.57 0.00 0.00 179.45 179.76 1ajs n ASN 396 N -3.29 1.38 -0.24 0.86 0.23 -0.89 -4.61 115.26 108.69 1ajs n ASN 396 Ca -0.03 -1.19 0.04 0.00 -0.53 0.00 0.00 54.58 52.87 1ajs n ASN 396 Cb 0.95 0.49 0.17 0.00 -2.08 0.00 0.00 39.78 39.31 1ajs n ASN 396 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1ajs h LEU 397 N 1.39 0.26 -0.63 -4.53 5.85 -1.53 -0.33 115.31 115.78 1ajs h LEU 397 Ca 0.00 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1ajs h LEU 397 Cb 0.44 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1ajs h LEU 397 CO 0.00 0.11 0.11 0.44 -0.34 0.00 0.00 178.44 178.76 1ajs h ASP 398 N 0.43 1.00 -0.32 1.25 3.32 -1.85 -0.43 116.42 119.83 1ajs h ASP 398 Ca 0.39 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1ajs h ASP 398 Cb 0.56 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1ajs h ASP 398 CO -0.38 1.00 0.18 0.22 -1.72 0.00 0.00 179.24 178.54 1ajs h TYR 399 N 0.96 0.43 -0.32 4.55 3.20 -1.58 -1.18 116.97 123.02 1ajs h TYR 399 Ca 0.19 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 1ajs h TYR 399 Cb 0.43 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1ajs h TYR 399 CO 0.03 0.34 0.02 0.28 -1.64 0.00 0.00 178.16 177.19 1ajs h VAL 400 N 0.40 1.25 -0.20 1.81 2.07 -0.86 -1.26 116.25 119.45 1ajs h VAL 400 Ca 0.11 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1ajs h VAL 400 Cb 0.04 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1ajs h VAL 400 CO -0.02 0.30 0.13 0.00 0.02 0.00 0.00 177.57 177.99 1ajs h ALA 401 N 0.87 0.25 -0.78 1.67 0.00 -0.97 -0.54 119.26 119.76 1ajs h ALA 401 Ca 0.09 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1ajs h ALA 401 Cb 0.40 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1ajs h ALA 401 CO 0.01 -0.26 0.48 1.15 0.00 0.00 0.00 179.25 180.64 1ajs h THR 402 N 0.25 1.07 -0.65 0.00 2.02 -1.19 0.31 112.91 114.73 1ajs h THR 402 Ca 0.07 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 1ajs h THR 402 Cb -0.01 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.45 1ajs h THR 402 CO -0.01 0.17 0.20 0.28 0.37 0.00 0.00 175.52 176.52 1ajs h SER 403 N 0.92 0.95 -0.51 4.18 0.02 -0.86 0.42 113.55 118.65 1ajs h SER 403 Ca 0.32 -0.21 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1ajs h SER 403 Cb 0.08 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1ajs h SER 403 CO -0.14 0.91 -0.02 0.40 -1.14 0.00 0.00 176.83 176.84 1ajs h ILE 404 N 0.94 1.26 -0.47 3.27 2.04 -0.73 -0.71 117.51 123.11 1ajs h ILE 404 Ca 0.21 -1.11 0.08 0.00 1.00 0.00 0.00 64.86 65.03 1ajs h ILE 404 Cb 0.30 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 1ajs h ILE 404 CO -0.01 0.39 0.10 -0.74 0.00 0.00 0.00 178.15 177.89 1ajs h HIS 405 N 0.78 0.16 -0.48 1.37 2.76 -0.42 -1.06 115.15 118.25 1ajs h HIS 405 Ca 0.14 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.31 1ajs h HIS 405 Cb 0.54 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.48 1ajs h HIS 405 CO 0.04 0.01 0.16 0.93 -1.30 0.00 0.00 177.93 177.77 1ajs h GLU 406 N 0.24 0.74 -0.61 5.26 5.08 -0.63 -2.12 114.58 122.54 1ajs h GLU 406 Ca 0.23 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1ajs h GLU 406 Cb 0.30 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1ajs h GLU 406 CO -0.30 0.69 0.32 0.00 -1.00 0.00 0.00 179.01 178.72 1ajs h ALA 407 N 1.02 0.80 -0.39 3.43 0.00 -0.41 -0.19 119.26 123.51 1ajs h ALA 407 Ca 0.16 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1ajs h ALA 407 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ajs h ALA 407 CO -0.01 -0.02 -0.30 0.28 0.00 0.00 0.00 179.25 179.20 1ajs h VAL 408 N 0.59 1.28 0.10 0.00 2.07 -1.15 -0.64 116.25 118.50 1ajs h VAL 408 Ca 0.27 -1.46 -0.26 0.00 0.82 0.00 0.00 66.70 66.07 1ajs h VAL 408 Cb 0.19 1.35 0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1ajs h VAL 408 CO -0.18 0.49 -1.16 0.71 0.02 0.00 0.00 177.57 177.44 1ajs h THR 409 N 0.70 1.44 0.13 2.57 1.35 -1.23 -3.04 112.91 114.83 1ajs h THR 409 Ca 0.07 -2.80 -0.36 0.00 -0.55 0.00 0.00 66.41 62.77 1ajs h THR 409 Cb 0.88 2.77 -0.01 0.00 -1.73 0.00 0.00 68.15 70.05 1ajs h THR 409 CO 0.08 0.83 -1.96 0.11 -0.25 0.00 0.00 175.52 174.33 1ajs h LYS 410 N 0.14 0.28 0.01 4.72 1.57 -1.10 -3.40 116.57 118.79 1ajs h LYS 410 Ca -0.13 -0.48 -0.30 0.00 -1.87 0.00 0.00 60.65 57.87 1ajs h LYS 410 Cb 1.85 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 34.29 1ajs h LYS 410 CO 0.20 1.22 -1.76 -0.89 -0.57 0.00 0.00 179.45 177.65 1ajs n ILE 411 N -3.49 1.62 1.73 1.86 2.08 -0.25 -5.07 119.36 117.83 1ajs n ILE 411 Ca -0.31 -0.79 0.15 0.00 0.56 0.00 0.00 62.75 62.37 1ajs n ILE 411 Cb 1.05 -1.08 0.72 0.00 -0.75 0.00 0.00 39.64 39.58 1ajs n ILE 411 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78