#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmf s ALA 19 N 0.00 3.12 -0.39 5.13 0.00 -1.26 -4.99 121.76 123.37 1xmf s ALA 19 Ca 0.00 0.14 -0.28 0.00 0.00 0.00 0.00 51.96 51.82 1xmf s ALA 19 Cb 0.00 -3.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 1xmf s ALA 19 CO 0.00 -0.12 1.66 -1.25 0.00 0.00 0.00 175.76 176.05 1xmf s PRO 20 N -3.87 3.34 0.21 0.00 0.04 -1.26 -4.99 135.00 128.48 1xmf s PRO 20 Ca 0.58 1.15 0.07 0.00 0.04 0.00 0.00 61.00 62.83 1xmf s PRO 20 Cb -0.10 -4.16 -0.05 0.00 0.04 0.00 0.00 34.50 30.24 1xmf s PRO 20 CO 0.28 -1.85 -0.11 0.95 0.04 0.00 0.00 177.00 176.31 1xmf s THR 21 N 6.59 1.56 0.07 1.26 -4.23 -1.26 -5.16 115.64 114.48 1xmf s THR 21 Ca 0.71 -2.16 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1xmf s THR 21 Cb -0.18 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.54 1xmf s THR 21 CO 0.32 -0.54 0.11 -0.24 -0.54 0.00 0.00 174.62 173.72 1xmf n SER 22 N -0.39 -0.30 -3.94 3.99 2.88 -1.26 -5.17 113.62 109.43 1xmf n SER 22 Ca -0.08 -1.39 -0.19 0.00 -1.33 0.00 0.00 58.87 55.89 1xmf n SER 22 Cb 0.61 0.55 -0.16 0.00 -0.75 0.00 0.00 64.21 64.46 1xmf n SER 22 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1xmf s VAL 23 N -2.53 0.55 0.34 2.46 1.01 -1.26 -5.16 120.40 115.81 1xmf s VAL 23 Ca 0.06 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.91 1xmf s VAL 23 Cb -0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1xmf s VAL 23 CO 0.04 0.20 0.26 0.54 0.00 0.00 0.00 175.10 176.14 1xmf s ASN 24 N 0.45 5.16 0.24 3.32 2.20 -1.26 -5.03 114.94 120.01 1xmf s ASN 24 Ca -0.06 -0.56 -0.10 0.00 -0.94 0.00 0.00 52.86 51.20 1xmf s ASN 24 Cb -0.10 -0.91 0.35 0.00 -2.00 0.00 0.00 41.25 38.59 1xmf s ASN 24 CO 0.00 -0.35 1.62 0.00 -2.94 0.00 0.00 177.10 175.43 1xmf h ALA 25 N 1.30 0.59 -0.69 3.54 0.00 -1.98 -1.26 119.26 120.76 1xmf h ALA 25 Ca -0.44 0.27 0.15 0.00 0.00 0.00 0.00 54.91 54.89 1xmf h ALA 25 Cb 1.25 0.51 -0.11 0.00 0.00 0.00 0.00 17.79 19.44 1xmf h ALA 25 CO 0.59 -0.42 0.09 -0.56 0.00 0.00 0.00 179.25 178.95 1xmf h GLN 26 N 0.03 0.18 -0.37 0.00 -0.00 -1.97 0.56 115.11 113.55 1xmf h GLN 26 Ca 0.38 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.65 58.95 1xmf h GLN 26 Cb 0.61 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.48 28.03 1xmf h GLN 26 CO -0.72 0.12 -0.05 0.93 -0.00 0.00 0.00 178.83 179.11 1xmf h GLU 27 N 0.19 0.61 0.08 0.06 5.08 -1.59 -2.96 114.58 116.04 1xmf h GLU 27 Ca 0.38 -0.16 -0.25 0.00 -1.00 0.00 0.00 59.36 58.33 1xmf h GLU 27 Cb 0.64 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1xmf h GLU 27 CO -0.54 0.67 -1.20 0.28 -1.00 0.00 0.00 179.01 177.22 1xmf h VAL 28 N 0.57 1.52 0.00 3.13 2.07 -1.13 -3.21 116.25 119.20 1xmf h VAL 28 Ca 0.11 -3.16 0.00 0.00 0.82 0.00 0.00 66.70 64.47 1xmf h VAL 28 Cb 0.44 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1xmf h VAL 28 CO 0.02 0.90 0.00 1.57 0.02 0.00 0.00 177.57 180.08 1xmf n HIS 29 N -3.44 0.00 0.30 1.57 -0.00 0.10 -2.16 115.22 111.60 1xmf n HIS 29 Ca -0.06 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 57.83 1xmf n HIS 29 Cb 1.00 -0.50 0.75 0.00 -0.00 0.00 0.00 29.99 31.23 1xmf n HIS 29 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1xmf h ARG 30 N 0.00 0.00 -0.05 1.57 2.43 -1.52 -2.96 114.38 113.85 1xmf h ARG 30 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xmf h ARG 30 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1xmf h ARG 30 CO 0.00 0.00 0.00 0.91 -1.51 0.00 0.00 179.97 179.37 1xmf n TRP 31 N -2.90 0.06 0.04 2.20 7.02 -0.92 -4.69 117.44 118.25 1xmf n TRP 31 Ca 0.00 -0.22 -0.05 0.00 -1.02 0.00 0.00 57.50 56.21 1xmf n TRP 31 Cb 0.24 -0.02 0.17 0.00 -2.42 0.00 0.00 31.31 29.27 1xmf n TRP 31 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1xmf h LEU 32 N 0.62 0.44 -1.39 -0.99 6.46 -1.57 -3.10 115.31 115.78 1xmf h LEU 32 Ca 0.00 -0.18 0.16 0.00 -0.12 0.00 0.00 57.88 57.74 1xmf h LEU 32 Cb 0.33 -0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 40.07 1xmf h LEU 32 CO 0.00 0.79 0.57 -0.61 -0.62 0.00 0.00 178.44 178.56 1xmf h GLN 33 N 0.36 0.56 0.00 1.25 5.75 -1.84 -0.68 115.11 120.50 1xmf h GLN 33 Ca 0.04 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1xmf h GLN 33 Cb 0.83 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.25 1xmf h GLN 33 CO 0.07 0.37 -0.11 0.66 -2.65 0.00 0.00 178.83 177.17 1xmf h SER 34 N 0.57 0.00 -1.29 -0.69 4.64 -1.89 -3.36 113.55 111.53 1xmf h SER 34 Ca 0.44 -0.02 0.40 0.00 -0.47 0.00 0.00 61.79 62.14 1xmf h SER 34 Cb 0.86 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.83 1xmf h SER 34 CO -0.19 0.01 0.85 -0.26 -0.87 0.00 0.00 176.83 176.37 1xmf h PHE 35 N 0.00 0.48 -3.57 4.77 0.04 -1.18 -3.39 116.94 114.09 1xmf h PHE 35 Ca 0.00 0.02 -0.52 0.00 2.80 0.00 0.00 57.97 60.27 1xmf h PHE 35 Cb 0.84 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.83 1xmf h PHE 35 CO 0.00 -0.12 0.23 1.21 -0.60 0.00 0.00 178.31 179.03 1xmf s ASN 36 N -4.66 7.45 -0.02 2.17 2.47 -1.26 -5.06 114.94 116.03 1xmf s ASN 36 Ca -0.08 1.71 0.07 0.00 0.42 0.00 0.00 52.86 54.99 1xmf s ASN 36 Cb 0.28 -2.53 -0.02 0.00 -1.45 0.00 0.00 41.25 37.53 1xmf s ASN 36 CO 0.82 0.16 -0.23 -1.66 -3.72 0.00 0.00 177.10 172.48 1xmf s TRP 37 N -0.98 2.02 0.44 0.43 -2.14 -1.26 -5.00 118.94 112.46 1xmf s TRP 37 Ca 0.38 -0.38 -0.21 0.00 2.66 0.00 0.00 56.10 58.55 1xmf s TRP 37 Cb -0.24 -1.30 -0.10 0.00 -3.10 0.00 0.00 33.47 28.73 1xmf s TRP 37 CO 0.28 -0.03 0.96 -0.51 -2.66 0.00 0.00 176.95 174.98 1xmf s ASP 38 N -0.53 6.84 0.06 -2.66 -0.00 -1.26 -4.98 116.67 114.14 1xmf s ASP 38 Ca 0.09 1.71 -0.09 0.00 -0.00 0.00 0.00 52.55 54.26 1xmf s ASP 38 Cb -0.09 -2.54 0.03 0.00 -0.00 0.00 0.00 42.92 40.32 1xmf s ASP 38 CO -0.01 -0.43 0.41 2.22 -0.00 0.00 0.00 175.17 177.36 1xmf n PHE 39 N -0.75 -0.82 0.00 4.23 1.16 -1.26 -5.04 117.46 114.98 1xmf n PHE 39 Ca 0.07 -0.47 0.00 0.00 -1.87 0.00 0.00 57.45 55.18 1xmf n PHE 39 Cb 0.54 0.23 0.00 0.00 -1.61 0.00 0.00 39.48 38.64 1xmf n PHE 39 CO 0.00 0.00 0.00 0.36 -1.87 0.00 0.00 176.76 175.25 1xmf n LYS 40 N -0.29 0.00 -1.18 3.97 -0.00 -1.26 -2.85 118.16 116.55 1xmf n LYS 40 Ca -0.01 0.21 -0.26 0.00 -0.00 0.00 0.00 58.31 58.25 1xmf n LYS 40 Cb 0.22 -0.55 0.13 0.00 -0.00 0.00 0.00 35.03 34.84 1xmf n LYS 40 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1xmf n ASN 41 N -0.51 5.01 -4.58 -5.58 3.02 -1.26 -4.86 115.26 106.51 1xmf n ASN 41 Ca 0.00 -3.55 -0.31 0.00 -0.03 0.00 0.00 54.58 50.69 1xmf n ASN 41 Cb 0.00 -0.87 -0.05 0.00 -0.61 0.00 0.00 39.78 38.25 1xmf n ASN 41 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1xmf s ASN 42 N -1.26 5.45 0.20 6.41 2.47 -1.13 -4.81 114.94 122.26 1xmf s ASN 42 Ca 0.55 -1.64 -0.15 0.00 0.42 0.00 0.00 52.86 52.05 1xmf s ASN 42 Cb 0.45 -2.58 0.01 0.00 -1.45 0.00 0.00 41.25 37.68 1xmf s ASN 42 CO 0.06 -2.61 0.46 0.00 -3.72 0.00 0.00 177.10 171.30 1xmf s ARG 43 N 6.08 1.36 0.43 0.43 1.04 -1.26 -4.87 118.95 122.15 1xmf s ARG 43 Ca 0.65 -1.00 -0.24 0.00 -1.04 0.00 0.00 55.73 54.09 1xmf s ARG 43 Cb -0.01 0.48 -0.08 0.00 -2.04 0.00 0.00 34.95 33.30 1xmf s ARG 43 CO 0.09 -0.56 1.24 0.99 -0.04 0.00 0.00 175.30 177.02 1xmf s THR 44 N -3.92 2.82 -1.28 4.99 2.01 -1.26 -4.93 115.64 114.06 1xmf s THR 44 Ca 0.13 0.67 0.26 0.00 0.31 0.00 0.00 61.69 63.06 1xmf s THR 44 Cb 0.00 -3.37 0.12 0.00 0.01 0.00 0.00 72.50 69.26 1xmf s THR 44 CO -0.00 0.05 1.50 0.29 -0.69 0.00 0.00 174.62 175.77 1xmf n LYS 45 N -0.18 0.31 -4.04 4.92 5.02 -1.26 -4.89 118.16 118.04 1xmf n LYS 45 Ca 0.06 -0.17 -0.34 0.00 -2.02 0.00 0.00 58.31 55.83 1xmf n LYS 45 Cb 0.46 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.90 1xmf n LYS 45 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1xmf s TYR 46 N -2.81 3.40 0.28 2.13 1.51 -1.26 -5.08 117.35 115.52 1xmf s TYR 46 Ca 0.16 0.31 -0.29 0.00 -1.01 0.00 0.00 57.07 56.24 1xmf s TYR 46 Cb 0.18 -1.81 -0.10 0.00 -0.11 0.00 0.00 41.96 40.13 1xmf s TYR 46 CO 0.62 0.60 1.27 0.00 -1.11 0.00 0.00 175.55 176.94 1xmf s ALA 47 N -1.16 3.49 -0.28 3.71 0.00 -1.26 -5.01 121.76 121.25 1xmf s ALA 47 Ca 0.21 1.15 -0.25 0.00 0.00 0.00 0.00 51.96 53.07 1xmf s ALA 47 Cb -0.12 -3.45 0.11 0.00 0.00 0.00 0.00 23.12 19.66 1xmf s ALA 47 CO 0.12 -0.52 0.95 -0.08 0.00 0.00 0.00 175.76 176.23 1xmf s THR 48 N -0.72 0.00 -0.72 0.00 -1.32 -1.26 -3.95 115.64 107.67 1xmf s THR 48 Ca 0.51 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.25 1xmf s THR 48 Cb -0.37 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 69.91 1xmf s THR 48 CO 0.46 0.00 1.77 0.29 -2.21 0.00 0.00 174.62 174.93 1xmf n LYS 49 N 2.38 0.27 -4.04 7.08 5.02 -1.26 -4.85 118.16 122.75 1xmf n LYS 49 Ca -0.13 0.23 -0.30 0.00 -2.02 0.00 0.00 58.31 56.09 1xmf n LYS 49 Cb 0.56 -1.82 -0.06 0.00 -0.02 0.00 0.00 35.03 33.69 1xmf n LYS 49 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1xmf s TYR 50 N -3.11 3.22 -0.20 2.13 1.51 -1.26 -4.78 117.35 114.85 1xmf s TYR 50 Ca 0.10 0.08 -0.03 0.00 -1.01 0.00 0.00 57.07 56.22 1xmf s TYR 50 Cb 0.12 -1.62 -0.01 0.00 -0.11 0.00 0.00 41.96 40.34 1xmf s TYR 50 CO 0.59 0.53 -0.07 -1.59 -1.11 0.00 0.00 175.55 173.90 1xmf s LYS 51 N -2.46 3.35 -0.29 -0.62 0.00 -1.26 -5.07 119.74 113.39 1xmf s LYS 51 Ca 0.30 -0.65 -0.19 0.00 0.00 0.00 0.00 55.97 55.43 1xmf s LYS 51 Cb -0.12 -2.93 -0.02 0.00 0.00 0.00 0.00 37.83 34.77 1xmf s LYS 51 CO 0.23 -0.14 0.58 -1.64 0.00 0.00 0.00 175.35 174.38 1xmf s MET 52 N 1.31 3.97 0.22 1.78 -1.94 -1.25 -4.34 119.30 119.05 1xmf s MET 52 Ca 0.04 0.31 -0.32 0.00 -1.71 0.00 0.00 55.69 54.01 1xmf s MET 52 Cb -0.14 -3.70 -0.13 0.00 2.01 0.00 0.00 34.83 32.87 1xmf s MET 52 CO -0.03 -0.48 1.59 0.00 -0.01 0.00 0.00 175.02 176.09 1xmf n ALA 53 N 5.73 1.97 1.17 3.03 0.00 -0.89 -4.47 120.51 127.05 1xmf n ALA 53 Ca -0.02 0.41 0.01 0.00 0.00 0.00 0.00 53.44 53.84 1xmf n ALA 53 Cb 0.49 -2.41 0.05 0.00 0.00 0.00 0.00 19.45 17.58 1xmf n ALA 53 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1xmf n ASN 54 N 3.07 1.11 -0.21 0.00 0.23 -1.26 -3.09 115.26 115.10 1xmf n ASN 54 Ca 0.14 -2.06 0.06 0.00 -0.53 0.00 0.00 54.58 52.19 1xmf n ASN 54 Cb 0.33 -0.33 -0.02 0.00 -2.08 0.00 0.00 39.78 37.68 1xmf n ASN 54 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1xmf n GLU 55 N -0.06 2.16 -1.68 -3.83 1.02 -1.26 -4.21 120.64 112.78 1xmf n GLU 55 Ca 0.03 -0.49 -0.42 0.00 -0.02 0.00 0.00 57.16 56.25 1xmf n GLU 55 Cb 0.24 -1.16 -0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1xmf n GLU 55 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1xmf n THR 56 N -0.53 2.12 -4.36 2.62 -1.04 -1.18 -5.02 114.28 106.89 1xmf n THR 56 Ca 0.05 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.05 61.32 1xmf n THR 56 Cb 0.25 -1.46 -0.08 0.00 -1.82 0.00 0.00 70.33 67.22 1xmf n THR 56 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1xmf s LYS 57 N -1.90 2.05 0.09 -2.82 1.02 -1.26 -3.91 119.74 113.00 1xmf s LYS 57 Ca 0.57 -1.55 0.03 0.00 0.02 0.00 0.00 55.97 55.04 1xmf s LYS 57 Cb -0.57 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 1xmf s LYS 57 CO 0.61 0.35 0.13 -1.83 -0.92 0.00 0.00 175.35 173.69 1xmf s GLU 58 N -3.58 3.05 0.32 1.68 -1.05 -1.26 -4.76 118.70 113.10 1xmf s GLU 58 Ca 0.31 -0.65 0.10 0.00 -0.15 0.00 0.00 54.97 54.57 1xmf s GLU 58 Cb -0.06 -2.80 0.54 0.00 -0.44 0.00 0.00 34.13 31.37 1xmf s GLU 58 CO 0.18 0.56 1.73 0.37 0.95 0.00 0.00 175.26 179.05 1xmf h GLN 59 N 3.05 0.08 -5.23 -4.83 4.15 -1.93 -3.43 115.11 106.97 1xmf h GLN 59 Ca -0.47 -0.04 -0.65 0.00 0.77 0.00 0.00 58.65 58.26 1xmf h GLN 59 Cb 1.17 -0.00 -0.26 0.00 0.21 0.00 0.00 27.48 28.60 1xmf h GLN 59 CO 0.68 0.52 -0.73 -0.06 -1.93 0.00 0.00 178.83 177.31 1xmf s PHE 60 N -4.03 2.91 -1.24 3.99 0.40 -1.26 -5.04 117.98 113.71 1xmf s PHE 60 Ca -0.03 -0.63 -0.11 0.00 -0.60 0.00 0.00 56.93 55.56 1xmf s PHE 60 Cb 0.14 -1.94 0.17 0.00 0.51 0.00 0.00 43.02 41.90 1xmf s PHE 60 CO 0.75 -0.25 1.66 1.63 0.70 0.00 0.00 175.22 179.71 1xmf n LYS 61 N 3.85 3.52 -4.24 0.44 5.02 -1.26 -4.95 118.16 120.53 1xmf n LYS 61 Ca -0.18 -3.70 -0.23 0.00 -2.02 0.00 0.00 58.31 52.17 1xmf n LYS 61 Cb 0.52 -2.97 -0.07 0.00 -0.02 0.00 0.00 35.03 32.49 1xmf n LYS 61 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xmf s LEU 62 N 0.61 3.34 0.15 -0.35 1.43 -1.26 -3.70 118.68 118.90 1xmf s LEU 62 Ca 0.41 -0.52 0.06 0.00 -1.03 0.00 0.00 54.13 53.05 1xmf s LEU 62 Cb 0.04 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1xmf s LEU 62 CO 0.00 0.01 -0.13 0.27 0.23 0.00 0.00 176.35 176.74 1xmf s ILE 63 N -2.17 1.35 0.25 -0.59 -4.36 -1.26 -4.90 121.20 109.53 1xmf s ILE 63 Ca 0.31 -1.96 -0.11 0.00 -0.26 0.00 0.00 60.65 58.63 1xmf s ILE 63 Cb -0.07 -1.76 0.36 0.00 1.25 0.00 0.00 42.46 42.24 1xmf s ILE 63 CO 0.21 -0.59 1.58 0.00 0.24 0.00 0.00 174.94 176.37 1xmf h ALA 64 N 3.02 0.51 -0.12 2.27 0.00 -2.01 -0.39 119.26 122.55 1xmf h ALA 64 Ca -0.38 0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1xmf h ALA 64 Cb 1.20 0.73 -0.04 0.00 0.00 0.00 0.00 17.79 19.67 1xmf h ALA 64 CO 0.58 -0.44 -0.15 0.87 0.00 0.00 0.00 179.25 180.11 1xmf h LYS 65 N -0.01 -0.19 -0.26 0.00 1.79 -1.99 -0.30 116.57 115.61 1xmf h LYS 65 Ca 0.41 0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.78 1xmf h LYS 65 Cb 0.64 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 1xmf h LYS 65 CO -0.92 -0.13 -0.30 1.49 -1.08 0.00 0.00 179.45 178.51 1xmf h GLU 66 N -0.20 0.53 0.09 3.15 4.57 -1.71 -2.03 114.58 118.98 1xmf h GLU 66 Ca 0.09 -0.22 -0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1xmf h GLU 66 Cb 0.33 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1xmf h GLU 66 CO -0.23 0.77 -0.04 -0.92 -1.18 0.00 0.00 179.01 177.41 1xmf h TYR 67 N 0.45 -0.11 -0.73 0.92 3.20 -0.77 -2.04 116.97 117.91 1xmf h TYR 67 Ca 0.06 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.01 1xmf h TYR 67 Cb 0.76 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 39.00 1xmf h TYR 67 CO 0.03 -0.04 0.39 0.00 -1.64 0.00 0.00 178.16 176.90 1xmf h ALA 68 N 0.76 1.01 -0.15 1.82 0.00 -0.92 -2.29 119.26 119.50 1xmf h ALA 68 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xmf h ALA 68 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xmf h ALA 68 CO 0.02 0.02 0.04 -0.09 0.00 0.00 0.00 179.25 179.24 1xmf h ARG 69 N 0.68 0.23 0.00 0.00 2.43 -1.11 -0.10 114.38 116.51 1xmf h ARG 69 Ca 0.35 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.42 1xmf h ARG 69 Cb 0.31 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1xmf h ARG 69 CO -0.24 0.36 -0.24 0.00 -1.51 0.00 0.00 179.97 178.34 1xmf h MET 70 N 0.05 0.00 0.08 0.20 -0.00 -1.17 -2.00 114.93 112.09 1xmf h MET 70 Ca 0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 59.70 59.48 1xmf h MET 70 Cb 0.23 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.84 1xmf h MET 70 CO -0.00 0.24 -1.13 0.93 -0.00 0.00 0.00 176.91 176.94 1xmf h GLU 71 N 0.00 0.47 -0.56 -0.10 3.07 -1.25 -3.18 114.58 113.02 1xmf h GLU 71 Ca -0.00 -0.61 -0.09 0.00 -0.50 0.00 0.00 59.36 58.17 1xmf h GLU 71 Cb 0.48 0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.57 1xmf h GLU 71 CO 0.03 1.24 0.01 0.00 -1.40 0.00 0.00 179.01 178.89 1xmf h ALA 72 N 0.52 0.95 -0.54 3.43 0.00 -0.58 -1.67 119.26 121.37 1xmf h ALA 72 Ca -0.14 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1xmf h ALA 72 Cb 1.81 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 1xmf h ALA 72 CO 0.20 0.63 0.22 0.28 0.00 0.00 0.00 179.25 180.59 1xmf h VAL 73 N 0.88 1.20 -0.35 0.00 2.07 -1.44 -1.20 116.25 117.41 1xmf h VAL 73 Ca 0.16 -0.60 -0.17 0.00 0.82 0.00 0.00 66.70 66.91 1xmf h VAL 73 Cb 0.51 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1xmf h VAL 73 CO 0.03 0.24 -0.45 0.11 0.02 0.00 0.00 177.57 177.52 1xmf h LYS 74 N 0.77 0.91 -0.47 1.57 1.57 -1.43 -3.13 116.57 116.37 1xmf h LYS 74 Ca 0.19 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1xmf h LYS 74 Cb 0.15 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1xmf h LYS 74 CO -0.02 1.17 0.31 -0.44 -0.57 0.00 0.00 179.45 179.90 1xmf h ASP 75 N 0.73 0.54 -0.28 0.86 3.45 -0.70 -1.96 116.42 119.06 1xmf h ASP 75 Ca 0.04 -0.02 0.06 0.00 0.43 0.00 0.00 57.03 57.54 1xmf h ASP 75 Cb 1.05 -0.13 -0.08 0.00 -0.56 0.00 0.00 39.33 39.61 1xmf h ASP 75 CO 0.11 0.39 -0.42 -0.33 -1.57 0.00 0.00 179.24 177.42 1xmf h GLU 76 N 0.63 -0.38 0.20 3.56 5.08 -1.19 0.16 114.58 122.63 1xmf h GLU 76 Ca 0.17 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1xmf h GLU 76 Cb -0.07 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1xmf h GLU 76 CO -0.04 -0.26 -0.12 0.00 -1.00 0.00 0.00 179.01 177.60 1xmf h ARG 77 N -0.40 -0.30 0.40 2.33 3.08 -1.49 0.35 114.38 118.36 1xmf h ARG 77 Ca 0.11 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1xmf h ARG 77 Cb 0.60 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1xmf h ARG 77 CO -0.49 -0.20 -0.46 0.37 -1.07 0.00 0.00 179.97 178.12 1xmf h GLN 78 N -0.31 -0.84 0.00 0.04 4.15 -0.88 0.19 115.11 117.45 1xmf h GLN 78 Ca -0.02 0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 1xmf h GLN 78 Cb 0.26 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1xmf h GLN 78 CO 0.02 -0.56 -0.32 0.74 -1.93 0.00 0.00 178.83 176.78 1xmf h PHE 79 N -0.88 0.00 -0.05 3.99 -1.00 -0.75 -1.24 116.94 117.02 1xmf h PHE 79 Ca -0.05 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.73 1xmf h PHE 79 Cb 0.77 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.33 1xmf h PHE 79 CO -0.27 0.32 0.02 0.78 -1.61 0.00 0.00 178.31 177.55 1xmf h GLY 80 N 1.06 0.08 0.96 -1.45 0.00 -0.60 0.74 103.07 103.86 1xmf h GLY 80 Ca -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.29 1xmf h GLY 80 CO 0.04 0.04 0.08 1.76 0.00 0.00 0.00 176.54 178.46 1xmf h SER 81 N -0.08 0.13 0.56 0.19 0.02 -0.56 -1.25 113.55 112.57 1xmf h SER 81 Ca 0.02 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1xmf h SER 81 Cb 0.16 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1xmf h SER 81 CO -0.00 0.10 -0.28 -0.07 -1.14 0.00 0.00 176.83 175.44 1xmf h LEU 82 N 0.17 -0.66 -1.18 5.07 3.38 -1.06 -1.21 115.31 119.81 1xmf h LEU 82 Ca 0.06 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1xmf h LEU 82 Cb -0.00 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1xmf h LEU 82 CO -0.03 -0.46 -0.34 1.56 0.09 0.00 0.00 178.44 179.25 1xmf h GLN 83 N -0.76 0.00 0.00 1.13 4.20 -0.87 -2.93 115.11 115.87 1xmf h GLN 83 Ca -0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1xmf h GLN 83 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1xmf h GLN 83 CO 0.12 0.34 0.00 -3.47 -0.67 0.00 0.00 178.83 175.15 1xmf n ASP 84 N -3.71 0.00 -0.11 1.46 4.64 -0.47 -4.54 116.55 113.82 1xmf n ASP 84 Ca -0.01 0.00 -0.05 0.00 -1.38 0.00 0.00 54.79 53.35 1xmf n ASP 84 Cb 0.44 0.00 0.02 0.00 -1.04 0.00 0.00 41.12 40.54 1xmf n ASP 84 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1xmf h ALA 85 N -1.95 0.37 -0.88 -1.67 0.00 -1.71 -1.03 119.26 112.39 1xmf h ALA 85 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1xmf h ALA 85 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1xmf h ALA 85 CO 0.00 -0.38 0.50 -0.07 0.00 0.00 0.00 179.25 179.30 1xmf h LEU 86 N 0.13 1.08 -0.64 0.00 3.38 -1.40 0.30 115.31 118.16 1xmf h LEU 86 Ca 0.19 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1xmf h LEU 86 Cb 0.25 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1xmf h LEU 86 CO -0.29 0.85 -0.08 0.74 0.09 0.00 0.00 178.44 179.75 1xmf h THR 87 N 1.22 1.26 -0.09 0.22 2.02 -1.26 -0.71 112.91 115.57 1xmf h THR 87 Ca 0.31 -1.22 -0.08 0.00 0.77 0.00 0.00 66.41 66.20 1xmf h THR 87 Cb 0.00 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1xmf h THR 87 CO -0.05 0.43 -0.29 -0.09 0.37 0.00 0.00 175.52 175.89 1xmf h ARG 88 N 0.88 0.17 -0.00 6.66 2.43 -0.49 -1.69 114.38 122.34 1xmf h ARG 88 Ca 0.14 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1xmf h ARG 88 Cb 0.63 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1xmf h ARG 88 CO 0.04 0.45 -0.08 1.28 -1.51 0.00 0.00 179.97 180.15 1xmf n LEU 89 N -4.15 0.43 -2.83 3.80 4.77 0.03 -4.91 117.00 114.14 1xmf n LEU 89 Ca -0.01 0.01 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 1xmf n LEU 89 Cb 0.37 -0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.35 1xmf n LEU 89 CO 0.39 0.08 0.09 -3.20 -1.33 0.00 0.00 177.39 173.43 1xmf n ASN 90 N -0.93 -5.58 0.29 -1.43 4.05 -0.63 -4.88 115.26 106.15 1xmf n ASN 90 Ca 0.16 -0.34 0.16 0.00 0.45 0.00 0.00 54.58 55.01 1xmf n ASN 90 Cb 0.26 -4.32 0.91 0.00 1.23 0.00 0.00 39.78 37.86 1xmf n ASN 90 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xmf h ALA 91 N 0.86 1.27 0.00 5.20 0.00 -1.39 -1.32 119.26 123.88 1xmf h ALA 91 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xmf h ALA 91 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1xmf h ALA 91 CO 0.48 0.05 0.00 0.78 0.00 0.00 0.00 179.25 180.56 1xmf h GLY 92 N 0.45 0.00 0.00 0.00 0.00 -1.81 -3.35 103.07 98.35 1xmf h GLY 92 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1xmf h GLY 92 CO 0.01 0.00 -2.25 -0.62 0.00 0.00 0.00 176.54 173.68 1xmf n VAL 93 N -2.77 1.24 -0.58 4.60 0.31 -0.53 -3.99 118.33 116.60 1xmf n VAL 93 Ca 0.02 -0.39 -0.09 0.00 -0.01 0.00 0.00 64.34 63.87 1xmf n VAL 93 Cb 0.33 -1.53 -0.09 0.00 -0.91 0.00 0.00 33.84 31.65 1xmf n VAL 93 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1xmf n ARG 94 N -3.57 1.24 -4.43 5.55 1.74 -0.99 -4.77 116.66 111.43 1xmf n ARG 94 Ca -0.41 -0.67 -0.28 0.00 -0.77 0.00 0.00 57.85 55.71 1xmf n ARG 94 Cb 0.86 -1.86 -0.13 0.00 -1.02 0.00 0.00 32.46 30.30 1xmf n ARG 94 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xmf s VAL 95 N 2.08 2.13 0.28 1.55 1.01 -1.26 -4.60 120.40 121.59 1xmf s VAL 95 Ca 0.38 -1.67 -0.29 0.00 0.00 0.00 0.00 61.98 60.40 1xmf s VAL 95 Cb 0.17 -1.89 -0.10 0.00 0.00 0.00 0.00 36.38 34.56 1xmf s VAL 95 CO -0.00 0.09 1.35 -2.28 0.00 0.00 0.00 175.10 174.26 1xmf s HIS 96 N -1.04 3.08 0.27 5.22 2.46 -0.65 -4.83 115.29 119.78 1xmf s HIS 96 Ca 0.12 1.26 -0.01 0.00 0.47 0.00 0.00 55.06 56.91 1xmf s HIS 96 Cb -0.10 -3.71 0.59 0.00 -0.13 0.00 0.00 32.58 29.23 1xmf s HIS 96 CO 0.05 -2.11 1.69 -1.35 -2.47 0.00 0.00 174.74 170.55 1xmf h PRO 97 N 4.24 0.32 -0.89 2.88 0.11 -1.92 -0.08 132.00 136.65 1xmf h PRO 97 Ca -0.47 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1xmf h PRO 97 Cb 1.22 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 1xmf h PRO 97 CO 0.71 0.21 0.59 0.87 -0.21 0.00 0.00 178.00 180.17 1xmf h LYS 98 N 0.33 1.13 -0.07 1.05 1.57 -1.91 -2.38 116.57 116.29 1xmf h LYS 98 Ca 0.49 -0.07 -0.19 0.00 -1.87 0.00 0.00 60.65 59.01 1xmf h LYS 98 Cb 0.88 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1xmf h LYS 98 CO -0.53 0.75 -0.74 2.35 -0.57 0.00 0.00 179.45 180.71 1xmf h TRP 99 N 1.16 0.55 -0.90 -1.35 2.91 -0.86 -1.23 115.95 116.23 1xmf h TRP 99 Ca 0.34 -0.25 0.06 0.00 1.13 0.00 0.00 58.89 60.17 1xmf h TRP 99 Cb -0.07 -0.08 -0.06 0.00 -0.51 0.00 0.00 29.16 28.43 1xmf h TRP 99 CO -0.00 1.01 0.56 -0.97 -1.03 0.00 0.00 178.44 178.01 1xmf h ASN 100 N 0.27 0.90 -0.07 2.65 -0.73 -0.75 -0.78 115.58 117.07 1xmf h ASN 100 Ca -0.03 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.12 1xmf h ASN 100 Cb 1.32 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 39.73 1xmf h ASN 100 CO 0.13 0.58 -0.06 -0.33 -0.37 0.00 0.00 177.43 177.38 1xmf h GLU 101 N 1.03 0.16 -0.94 6.67 4.39 -1.27 -3.22 114.58 121.40 1xmf h GLU 101 Ca 0.39 -0.08 0.14 0.00 0.34 0.00 0.00 59.36 60.15 1xmf h GLU 101 Cb 0.15 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.71 1xmf h GLU 101 CO -0.17 0.58 0.55 1.15 -1.16 0.00 0.00 179.01 179.97 1xmf h THR 102 N -0.27 0.82 0.00 1.13 2.02 -0.74 -0.30 112.91 115.57 1xmf h THR 102 Ca 0.01 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1xmf h THR 102 Cb 0.55 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1xmf h THR 102 CO 0.01 0.15 0.00 0.24 0.37 0.00 0.00 175.52 176.29 1xmf h MET 103 N 0.82 0.00 -0.44 6.66 2.86 -1.17 0.30 114.93 123.96 1xmf h MET 103 Ca 0.49 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 58.03 1xmf h MET 103 Cb 0.61 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1xmf h MET 103 CO -0.32 0.00 -0.12 0.87 1.06 0.00 0.00 176.91 178.41 1xmf h LYS 104 N 0.00 0.85 0.03 1.72 1.57 -1.08 -1.61 116.57 118.05 1xmf h LYS 104 Ca 0.00 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1xmf h LYS 104 Cb 0.29 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1xmf h LYS 104 CO 0.00 0.96 -0.01 0.28 -0.57 0.00 0.00 179.45 180.11 1xmf h VAL 105 N 0.68 1.43 0.07 0.50 2.07 -1.37 -2.94 116.25 116.69 1xmf h VAL 105 Ca 0.11 -1.77 0.02 0.00 0.82 0.00 0.00 66.70 65.88 1xmf h VAL 105 Cb 0.66 2.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.96 1xmf h VAL 105 CO 0.05 0.43 -0.21 0.58 0.02 0.00 0.00 177.57 178.44 1xmf h VAL 106 N -0.85 0.52 -0.11 2.57 2.07 -1.03 0.12 116.25 119.55 1xmf h VAL 106 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1xmf h VAL 106 Cb 0.73 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1xmf h VAL 106 CO 0.01 0.00 0.03 -1.28 0.02 0.00 0.00 177.57 176.35 1xmf h SER 107 N -0.38 0.15 0.08 0.57 0.87 -1.44 -1.20 113.55 112.20 1xmf h SER 107 Ca 0.04 -0.20 -0.14 0.00 -1.23 0.00 0.00 61.79 60.26 1xmf h SER 107 Cb 0.42 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1xmf h SER 107 CO -0.14 0.31 -0.49 -1.13 -0.53 0.00 0.00 176.83 174.85 1xmf h ASN 108 N -0.01 0.52 -0.34 6.23 -1.24 -1.49 0.78 115.58 120.02 1xmf h ASN 108 Ca 0.03 -0.25 -0.16 0.00 0.71 0.00 0.00 56.30 56.63 1xmf h ASN 108 Cb 0.21 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 1xmf h ASN 108 CO -0.00 0.92 -0.41 -0.26 -1.29 0.00 0.00 177.43 176.39 1xmf h PHE 109 N 0.38 1.09 0.00 0.67 -1.00 -0.74 -2.39 116.94 114.93 1xmf h PHE 109 Ca 0.02 -0.33 -0.08 0.00 2.81 0.00 0.00 57.97 60.38 1xmf h PHE 109 Cb 1.00 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 40.32 1xmf h PHE 109 CO 0.03 1.15 -0.39 -0.07 -1.61 0.00 0.00 178.31 177.43 1xmf h LEU 110 N 0.73 0.00 -0.78 1.54 3.38 -1.11 -2.81 115.31 116.26 1xmf h LEU 110 Ca 0.05 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1xmf h LEU 110 Cb 1.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 1xmf h LEU 110 CO 0.10 0.39 0.50 -0.08 0.09 0.00 0.00 178.44 179.44 1xmf h GLU 111 N 0.00 0.97 0.00 1.13 4.81 -0.34 0.91 114.58 122.06 1xmf h GLU 111 Ca -0.00 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 1xmf h GLU 111 Cb 0.79 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1xmf h GLU 111 CO 0.05 0.64 -0.52 -0.24 -0.73 0.00 0.00 179.01 178.21 1xmf h VAL 112 N 1.00 1.15 -0.36 0.32 3.04 -1.25 0.70 116.25 120.85 1xmf h VAL 112 Ca 0.30 -1.94 -0.09 0.00 -1.01 0.00 0.00 66.70 63.96 1xmf h VAL 112 Cb -0.03 2.12 -0.01 0.00 -2.01 0.00 0.00 31.29 31.35 1xmf h VAL 112 CO -0.09 0.51 -0.13 1.23 -1.01 0.00 0.00 177.57 178.08 1xmf h GLY 113 N 2.17 0.78 0.78 3.17 0.00 -1.09 -0.10 103.07 108.77 1xmf h GLY 113 Ca -0.01 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 1xmf h GLY 113 CO 0.07 0.61 -0.00 0.83 0.00 0.00 0.00 176.54 178.04 1xmf h GLU 114 N 0.51 -0.01 -0.97 4.80 4.39 -0.55 -1.41 114.58 121.32 1xmf h GLU 114 Ca 0.09 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.87 1xmf h GLU 114 Cb 0.65 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.23 1xmf h GLU 114 CO 0.04 0.21 0.63 -0.92 -1.16 0.00 0.00 179.01 177.81 1xmf h TYR 115 N -0.23 1.13 0.00 4.33 5.03 -0.74 -0.31 116.97 126.19 1xmf h TYR 115 Ca -0.00 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.25 1xmf h TYR 115 Cb 0.23 -0.37 -0.01 0.00 1.55 0.00 0.00 36.73 38.12 1xmf h TYR 115 CO -0.00 0.55 -0.40 -0.91 -1.32 0.00 0.00 178.16 176.08 1xmf h ASN 116 N 1.08 0.00 0.08 -2.11 4.21 -0.96 -2.79 115.58 115.09 1xmf h ASN 116 Ca 0.44 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.92 1xmf h ASN 116 Cb 0.27 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.47 1xmf h ASN 116 CO -0.19 0.40 -0.10 0.00 -1.29 0.00 0.00 177.43 176.26 1xmf h ALA 117 N 1.60 1.76 0.59 -0.83 0.00 0.08 -0.54 119.26 121.91 1xmf h ALA 117 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1xmf h ALA 117 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xmf h ALA 117 CO 0.05 0.18 -0.29 0.82 0.00 0.00 0.00 179.25 180.01 1xmf h ILE 118 N 0.06 0.40 -0.81 0.00 2.04 -1.11 0.10 117.51 118.18 1xmf h ILE 118 Ca 0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1xmf h ILE 118 Cb 0.21 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1xmf h ILE 118 CO 0.01 0.00 0.38 0.00 0.00 0.00 0.00 178.15 178.55 1xmf h ALA 119 N -0.39 1.05 -0.48 1.87 0.00 -1.52 -1.61 119.26 118.17 1xmf h ALA 119 Ca -0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1xmf h ALA 119 Cb 0.62 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1xmf h ALA 119 CO 0.12 0.62 0.24 0.00 0.00 0.00 0.00 179.25 180.23 1xmf h ALA 120 N 1.20 0.62 0.00 0.00 0.00 -0.91 -1.38 119.26 118.78 1xmf h ALA 120 Ca 0.28 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1xmf h ALA 120 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xmf h ALA 120 CO -0.03 0.17 -0.40 1.79 0.00 0.00 0.00 179.25 180.78 1xmf h THR 121 N 0.63 0.94 -0.29 0.00 1.35 -0.82 -0.95 112.91 113.77 1xmf h THR 121 Ca 0.17 -1.57 -0.07 0.00 -0.55 0.00 0.00 66.41 64.39 1xmf h THR 121 Cb 0.11 1.94 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 1xmf h THR 121 CO -0.02 0.39 -0.12 1.23 -0.25 0.00 0.00 175.52 176.75 1xmf h GLY 122 N 2.04 0.52 1.36 5.82 0.00 -0.74 0.33 103.07 112.40 1xmf h GLY 122 Ca -0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 47.33 46.80 1xmf h GLY 122 CO 0.05 0.33 -0.59 1.98 0.00 0.00 0.00 176.54 178.31 1xmf h MET 123 N 0.45 0.66 -0.39 4.80 -1.53 -0.55 -1.76 114.93 116.61 1xmf h MET 123 Ca 0.08 -0.44 -0.12 0.00 -3.44 0.00 0.00 59.70 55.78 1xmf h MET 123 Cb 0.47 0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.57 1xmf h MET 123 CO 0.03 1.06 -0.25 -0.07 0.14 0.00 0.00 176.91 177.82 1xmf h LEU 124 N 0.50 0.81 -0.89 3.39 3.38 -0.54 -1.14 115.31 120.82 1xmf h LEU 124 Ca -0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1xmf h LEU 124 Cb 1.17 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1xmf h LEU 124 CO 0.12 1.02 0.58 -0.25 0.09 0.00 0.00 178.44 180.00 1xmf h TRP 125 N 0.68 1.14 -0.43 1.13 7.01 -0.18 0.25 115.95 125.56 1xmf h TRP 125 Ca 0.09 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 60.99 1xmf h TRP 125 Cb 0.77 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 27.44 1xmf h TRP 125 CO 0.04 0.73 -0.21 0.22 -2.79 0.00 0.00 178.44 176.43 1xmf h ASP 126 N 1.22 0.86 -0.22 2.65 1.82 -0.97 -3.20 116.42 118.58 1xmf h ASP 126 Ca 0.33 -0.31 -0.04 0.00 -0.39 0.00 0.00 57.03 56.62 1xmf h ASP 126 Cb -0.11 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.65 1xmf h ASP 126 CO -0.07 1.05 -0.01 0.28 -1.61 0.00 0.00 179.24 178.88 1xmf h SER 127 N 0.74 0.39 -3.71 2.28 0.02 -0.46 -3.40 113.55 109.41 1xmf h SER 127 Ca 0.10 -0.32 -0.55 0.00 -0.84 0.00 0.00 61.79 60.18 1xmf h SER 127 Cb 0.74 -0.10 0.12 0.00 0.14 0.00 0.00 62.40 63.29 1xmf h SER 127 CO 0.06 0.61 0.63 0.00 -1.14 0.00 0.00 176.83 176.99 1xmf n ALA 128 N -2.34 1.78 -0.04 3.77 0.00 0.01 -4.75 120.51 118.95 1xmf n ALA 128 Ca -0.04 0.30 -0.01 0.00 0.00 0.00 0.00 53.44 53.69 1xmf n ALA 128 Cb 0.24 -2.34 -0.09 0.00 0.00 0.00 0.00 19.45 17.27 1xmf n ALA 128 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xmf n GLN 129 N 0.19 1.52 -2.62 0.00 1.13 -1.26 -4.81 117.38 111.54 1xmf n GLN 129 Ca 0.04 -0.04 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 1xmf n GLN 129 Cb 0.39 -1.28 -0.04 0.00 0.11 0.00 0.00 30.24 29.43 1xmf n GLN 129 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xmf s ALA 130 N -2.47 3.27 0.38 -1.58 0.00 -1.26 -4.88 121.76 115.22 1xmf s ALA 130 Ca -0.05 0.66 0.09 0.00 0.00 0.00 0.00 51.96 52.66 1xmf s ALA 130 Cb 0.05 -3.35 0.85 0.00 0.00 0.00 0.00 23.12 20.66 1xmf s ALA 130 CO 0.46 -0.22 1.93 0.00 0.00 0.00 0.00 175.76 177.93 1xmf h ALA 131 N 6.21 1.84 -0.33 0.00 0.00 -1.84 -1.05 119.26 124.09 1xmf h ALA 131 Ca -0.42 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 1xmf h ALA 131 Cb 1.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1xmf h ALA 131 CO 0.75 -0.00 -0.41 0.93 0.00 0.00 0.00 179.25 180.52 1xmf h GLU 132 N 0.64 0.80 -0.13 0.00 5.08 -1.83 0.27 114.58 119.42 1xmf h GLU 132 Ca 0.35 -0.43 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 1xmf h GLU 132 Cb 0.51 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1xmf h GLU 132 CO -0.13 1.06 -0.45 0.37 -1.00 0.00 0.00 179.01 178.86 1xmf h GLN 133 N 0.65 0.31 -0.42 2.33 4.15 -1.50 -0.70 115.11 119.94 1xmf h GLN 133 Ca 0.05 -0.16 -0.12 0.00 0.77 0.00 0.00 58.65 59.18 1xmf h GLN 133 Cb 0.97 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 1xmf h GLN 133 CO 0.09 0.70 -0.23 0.87 -1.93 0.00 0.00 178.83 178.33 1xmf h LYS 134 N 0.26 0.85 -0.39 1.69 1.57 -0.97 -2.65 116.57 116.93 1xmf h LYS 134 Ca 0.02 -0.36 -0.11 0.00 -1.87 0.00 0.00 60.65 58.33 1xmf h LYS 134 Cb 0.89 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1xmf h LYS 134 CO 0.07 1.00 -0.21 -0.97 -0.57 0.00 0.00 179.45 178.77 1xmf h ASN 135 N 0.74 0.77 -0.38 0.86 -1.24 -0.58 -0.78 115.58 114.97 1xmf h ASN 135 Ca 0.10 -0.27 -0.01 0.00 0.71 0.00 0.00 56.30 56.83 1xmf h ASN 135 Cb 0.77 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.59 1xmf h ASN 135 CO 0.06 0.96 0.20 1.23 -1.29 0.00 0.00 177.43 178.59 1xmf h GLY 136 N 0.97 0.58 1.43 1.57 0.00 -0.96 -2.14 103.07 104.52 1xmf h GLY 136 Ca 0.10 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 1xmf h GLY 136 CO 0.05 0.26 -0.14 -0.97 0.00 0.00 0.00 176.54 175.75 1xmf h TYR 137 N 0.48 0.75 -0.47 5.60 0.99 -1.33 -2.93 116.97 120.06 1xmf h TYR 137 Ca 0.13 -0.14 0.03 0.00 2.00 0.00 0.00 58.73 60.75 1xmf h TYR 137 Cb 0.08 -0.19 -0.03 0.00 1.00 0.00 0.00 36.73 37.59 1xmf h TYR 137 CO -0.02 0.78 0.26 1.25 -0.00 0.00 0.00 178.16 180.43 1xmf h LEU 138 N 0.62 0.41 -1.01 3.88 5.85 -0.77 0.22 115.31 124.51 1xmf h LEU 138 Ca 0.10 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.90 1xmf h LEU 138 Cb 0.59 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 1xmf h LEU 138 CO 0.04 0.29 0.65 0.00 -0.34 0.00 0.00 178.44 179.08 1xmf h ALA 139 N 1.22 1.39 -0.38 1.25 0.00 -1.25 -1.54 119.26 119.96 1xmf h ALA 139 Ca 0.19 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1xmf h ALA 139 Cb 0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1xmf h ALA 139 CO -0.11 0.45 -0.29 0.37 0.00 0.00 0.00 179.25 179.67 1xmf h GLN 140 N 1.19 0.81 -0.54 0.00 4.15 -1.00 -0.13 115.11 119.59 1xmf h GLN 140 Ca 0.43 -0.37 0.05 0.00 0.77 0.00 0.00 58.65 59.53 1xmf h GLN 140 Cb 0.16 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.79 1xmf h GLN 140 CO -0.17 1.00 0.28 0.28 -1.93 0.00 0.00 178.83 178.29 1xmf h VAL 141 N 0.69 0.95 0.00 2.39 2.07 0.34 0.24 116.25 122.93 1xmf h VAL 141 Ca 0.08 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 1xmf h VAL 141 Cb 0.83 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1xmf h VAL 141 CO 0.07 0.10 -0.54 -0.07 0.02 0.00 0.00 177.57 177.15 1xmf h LEU 142 N 0.53 0.00 -0.14 2.57 -0.00 -1.16 -2.61 115.31 114.51 1xmf h LEU 142 Ca 0.24 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 58.06 1xmf h LEU 142 Cb 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.81 1xmf h LEU 142 CO -0.17 0.54 -0.17 0.44 -0.00 0.00 0.00 178.44 179.08 1xmf h ASP 143 N 0.00 0.39 -0.08 -0.43 3.32 0.31 -2.19 116.42 117.74 1xmf h ASP 143 Ca -0.01 -0.50 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 1xmf h ASP 143 Cb 0.96 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 1xmf h ASP 143 CO 0.07 0.81 -0.01 -0.33 -1.72 0.00 0.00 179.24 178.06 1xmf h GLU 144 N -0.03 0.26 -0.50 3.56 4.39 -0.54 0.59 114.58 122.32 1xmf h GLU 144 Ca 0.02 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 1xmf h GLU 144 Cb 0.71 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 1xmf h GLU 144 CO 0.04 0.30 -0.10 0.82 -1.16 0.00 0.00 179.01 178.91 1xmf h ILE 145 N 0.26 1.27 -0.52 3.13 2.04 -1.39 -0.16 117.51 122.14 1xmf h ILE 145 Ca 0.06 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 1xmf h ILE 145 Cb 0.20 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1xmf h ILE 145 CO 0.01 0.43 0.12 -0.09 0.00 0.00 0.00 178.15 178.62 1xmf h ARG 146 N 0.80 0.79 -0.09 2.37 2.43 -0.40 -1.86 114.38 118.42 1xmf h ARG 146 Ca 0.13 -0.16 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 1xmf h ARG 146 Cb 0.65 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1xmf h ARG 146 CO 0.04 0.71 -0.58 0.45 -1.51 0.00 0.00 179.97 179.08 1xmf h HIS 147 N 0.76 0.39 0.19 2.20 3.86 -0.56 0.81 115.15 122.81 1xmf h HIS 147 Ca 0.17 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1xmf h HIS 147 Cb 0.28 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1xmf h HIS 147 CO 0.02 0.82 -0.09 1.15 0.86 0.00 0.00 177.93 180.68 1xmf h THR 148 N 0.23 0.84 0.00 2.45 2.02 -0.59 0.53 112.91 118.39 1xmf h THR 148 Ca -0.00 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 1xmf h THR 148 Cb 1.09 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1xmf h THR 148 CO 0.09 0.04 -0.18 0.45 0.37 0.00 0.00 175.52 176.29 1xmf h HIS 149 N -0.33 0.00 -0.01 3.16 -0.00 -1.16 -0.52 115.15 116.29 1xmf h HIS 149 Ca -0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.28 1xmf h HIS 149 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.67 1xmf h HIS 149 CO -0.04 0.18 -0.26 1.96 -0.00 0.00 0.00 177.93 179.77 1xmf h GLN 150 N 0.00 0.20 -0.66 2.45 4.20 -0.45 -1.27 115.11 119.58 1xmf h GLN 150 Ca -0.00 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 1xmf h GLN 150 Cb 0.36 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1xmf h GLN 150 CO 0.02 0.90 0.29 0.00 -0.67 0.00 0.00 178.83 179.38 1xmf h ALA 152 N 1.38 1.31 -0.10 0.00 0.00 -1.08 -2.40 119.26 118.36 1xmf h ALA 152 Ca 0.23 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1xmf h ALA 152 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xmf h ALA 152 CO -0.03 0.49 -0.38 -0.92 0.00 0.00 0.00 179.25 178.41 1xmf h TYR 153 N 0.67 0.25 -0.31 0.00 3.20 0.14 -0.24 116.97 120.69 1xmf h TYR 153 Ca 0.15 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1xmf h TYR 153 Cb 0.28 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1xmf h TYR 153 CO 0.01 0.58 0.11 0.28 -1.64 0.00 0.00 178.16 177.49 1xmf h VAL 154 N 0.19 1.20 -0.44 1.81 2.07 -0.81 0.47 116.25 120.73 1xmf h VAL 154 Ca 0.02 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 1xmf h VAL 154 Cb 0.77 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1xmf h VAL 154 CO 0.06 0.21 0.03 0.78 0.02 0.00 0.00 177.57 178.67 1xmf h ASN 155 N 0.35 0.74 -0.75 0.57 -0.26 -1.38 -0.09 115.58 114.75 1xmf h ASN 155 Ca 0.10 -0.29 0.02 0.00 -0.56 0.00 0.00 56.30 55.58 1xmf h ASN 155 Cb 0.23 -0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 37.25 1xmf h ASN 155 CO -0.00 0.84 0.49 0.22 -1.06 0.00 0.00 177.43 177.92 1xmf h TYR 156 N 0.61 0.92 -0.18 1.19 5.03 -0.77 0.29 116.97 124.06 1xmf h TYR 156 Ca 0.13 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.35 1xmf h TYR 156 Cb 0.45 -0.31 -0.00 0.00 1.55 0.00 0.00 36.73 38.42 1xmf h TYR 156 CO 0.03 0.55 -0.31 -0.92 -1.32 0.00 0.00 178.16 176.19 1xmf h TYR 157 N 0.97 0.67 0.00 -3.82 5.03 0.20 -1.66 116.97 118.36 1xmf h TYR 157 Ca 0.29 -0.23 -0.03 0.00 2.58 0.00 0.00 58.73 61.34 1xmf h TYR 157 Cb -0.04 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.11 1xmf h TYR 157 CO -0.03 0.95 -0.13 0.74 -1.32 0.00 0.00 178.16 178.38 1xmf h PHE 158 N 0.19 0.00 0.12 -3.82 0.05 -0.77 -0.23 116.94 112.48 1xmf h PHE 158 Ca 0.01 0.00 -0.30 0.00 3.82 0.00 0.00 57.97 61.50 1xmf h PHE 158 Cb 0.90 0.00 0.03 0.00 2.00 0.00 0.00 35.95 38.88 1xmf h PHE 158 CO 0.09 0.13 -1.25 0.00 -0.18 0.00 0.00 178.31 177.09 1xmf h ALA 159 N 1.87 -0.00 -0.19 2.45 0.00 -0.83 0.19 119.26 122.76 1xmf h ALA 159 Ca -0.00 -0.78 -0.21 0.00 0.00 0.00 0.00 54.91 53.92 1xmf h ALA 159 Cb 0.52 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1xmf h ALA 159 CO 0.02 0.70 -0.69 -0.22 0.00 0.00 0.00 179.25 179.06 1xmf h LYS 160 N 0.27 0.81 -0.01 0.00 3.64 -0.90 -3.38 116.57 117.00 1xmf h LYS 160 Ca -0.19 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 58.58 1xmf h LYS 160 Cb 1.92 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.86 1xmf h LYS 160 CO 0.24 1.23 0.00 0.09 -2.27 0.00 0.00 179.45 178.74 1xmf n ASN 161 N -3.98 1.47 -4.40 4.20 4.13 -0.13 -5.08 115.26 111.47 1xmf n ASN 161 Ca -0.07 -1.25 -0.27 0.00 1.68 0.00 0.00 54.58 54.67 1xmf n ASN 161 Cb 0.70 -0.01 0.15 0.00 -1.54 0.00 0.00 39.78 39.09 1xmf n ASN 161 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1xmf s GLY 162 N -0.45 1.76 0.18 7.41 0.00 0.68 -3.85 107.32 113.05 1xmf s GLY 162 Ca 0.06 -1.37 0.26 0.00 0.00 0.00 0.00 44.72 43.68 1xmf s GLY 162 CO 0.06 -0.70 1.78 0.61 0.00 0.00 0.00 173.10 174.85 1xmf n GLN 163 N -3.36 0.23 -3.20 2.90 10.64 -1.26 -4.60 117.38 118.73 1xmf n GLN 163 Ca 0.15 0.18 0.01 0.00 -1.83 0.00 0.00 57.00 55.50 1xmf n GLN 163 Cb 0.60 -1.76 -0.01 0.00 -0.86 0.00 0.00 30.24 28.21 1xmf n GLN 163 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1xmf s ASP 164 N -4.29 -1.51 0.29 2.61 2.15 -1.26 -5.05 116.67 109.61 1xmf s ASP 164 Ca 0.11 -0.63 -0.02 0.00 0.43 0.00 0.00 52.55 52.44 1xmf s ASP 164 Cb 0.13 1.96 0.42 0.00 -0.30 0.00 0.00 42.92 45.13 1xmf s ASP 164 CO 0.59 -0.19 1.93 -0.65 -0.17 0.00 0.00 175.17 176.68 1xmf h PRO 165 N 7.17 1.06 -6.50 4.34 0.11 -1.80 -3.42 132.00 132.95 1xmf h PRO 165 Ca 0.04 -0.09 -0.59 0.00 0.11 0.00 0.00 66.00 65.46 1xmf h PRO 165 Cb 1.18 -0.22 0.06 0.00 0.11 0.00 0.00 31.00 32.13 1xmf h PRO 165 CO 0.11 0.74 0.72 0.00 -0.21 0.00 0.00 178.00 179.36 1xmf n ALA 166 N -2.42 1.04 0.00 -0.75 0.00 -1.26 -0.01 120.51 117.11 1xmf n ALA 166 Ca 0.08 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1xmf n ALA 166 Cb 0.07 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1xmf n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xmf n GLY 167 N 3.04 2.86 0.26 0.00 0.00 -1.26 -4.66 105.19 105.42 1xmf n GLY 167 Ca 0.16 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 1xmf n GLY 167 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1xmf h HIS 168 N 0.00 0.98 0.00 1.61 -0.00 -1.18 -0.99 115.15 115.56 1xmf h HIS 168 Ca 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 1xmf h HIS 168 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.20 1xmf h HIS 168 CO 0.00 1.06 -0.07 -2.95 -0.00 0.00 0.00 177.93 175.97 1xmf h ASN 169 N 0.69 0.00 0.00 2.45 7.08 -0.70 -3.39 115.58 121.71 1xmf h ASN 169 Ca 0.07 -0.02 -0.03 0.00 -3.08 0.00 0.00 56.30 53.24 1xmf h ASN 169 Cb 0.91 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 37.08 1xmf h ASN 169 CO 0.08 0.01 -0.50 -0.90 -2.08 0.00 0.00 177.43 174.04 1xmf n ASP 170 N -2.49 0.12 -0.29 6.14 5.68 -1.21 -4.91 116.55 119.58 1xmf n ASP 170 Ca 0.05 -1.85 0.24 0.00 -0.50 0.00 0.00 54.79 52.74 1xmf n ASP 170 Cb 0.46 -0.17 0.56 0.00 -1.14 0.00 0.00 41.12 40.84 1xmf n ASP 170 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xmf h ALA 171 N 0.16 2.41 -0.00 2.12 0.00 -1.37 0.95 119.26 123.52 1xmf h ALA 171 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xmf h ALA 171 Cb 1.42 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1xmf h ALA 171 CO 0.00 -0.77 0.04 0.00 0.00 0.00 0.00 179.25 178.53 1xmf h ARG 172 N 0.31 0.00 0.00 0.00 3.08 -1.91 0.64 114.38 116.50 1xmf h ARG 172 Ca 0.55 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.54 1xmf h ARG 172 Cb 1.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.60 1xmf h ARG 172 CO -0.20 0.00 -1.23 2.89 -1.07 0.00 0.00 179.97 180.35 1xmf n ARG 173 N -3.08 2.38 0.10 0.04 1.85 0.13 -4.66 116.66 113.42 1xmf n ARG 173 Ca -0.03 0.01 0.13 0.00 -1.00 0.00 0.00 57.85 56.95 1xmf n ARG 173 Cb 0.11 -1.09 0.44 0.00 -1.05 0.00 0.00 32.46 30.88 1xmf n ARG 173 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1xmf n THR 174 N -2.28 0.62 0.30 8.89 -2.24 -0.07 -2.85 114.28 116.64 1xmf n THR 174 Ca -0.06 -0.12 0.17 0.00 -2.27 0.00 0.00 64.05 61.77 1xmf n THR 174 Cb 0.60 -0.74 0.67 0.00 -2.10 0.00 0.00 70.33 68.77 1xmf n THR 174 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1xmf h ARG 175 N 0.00 0.00 0.00 -0.78 -0.00 -1.09 -2.97 114.38 109.53 1xmf h ARG 175 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1xmf h ARG 175 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.58 1xmf h ARG 175 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 179.97 180.22 1xmf n THR 176 N -2.94 0.47 0.04 0.08 -2.24 -1.13 -3.51 114.28 105.05 1xmf n THR 176 Ca 0.01 0.12 -0.20 0.00 -2.27 0.00 0.00 64.05 61.71 1xmf n THR 176 Cb 0.28 -0.74 -0.12 0.00 -2.10 0.00 0.00 70.33 67.65 1xmf n THR 176 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1xmf h ILE 177 N 0.00 1.40 -3.64 2.28 2.04 -1.74 -3.47 117.51 114.37 1xmf h ILE 177 Ca 0.00 -2.31 -0.49 0.00 1.00 0.00 0.00 64.86 63.05 1xmf h ILE 177 Cb 0.38 2.77 0.03 0.00 -0.74 0.00 0.00 36.82 39.26 1xmf h ILE 177 CO 0.00 0.68 0.13 -0.83 0.00 0.00 0.00 178.15 178.13 1xmf s GLY 178 N -4.28 1.61 0.27 5.37 0.00 0.40 -4.91 107.32 105.78 1xmf s GLY 178 Ca -0.12 -0.42 0.12 0.00 0.00 0.00 0.00 44.72 44.30 1xmf s GLY 178 CO 0.86 -0.24 1.57 -0.56 0.00 0.00 0.00 173.10 174.73 1xmf h PRO 179 N 0.44 0.00 -0.24 2.90 0.13 -1.89 -3.28 132.00 130.07 1xmf h PRO 179 Ca -0.47 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1xmf h PRO 179 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1xmf h PRO 179 CO 0.62 0.63 0.16 -0.07 -0.23 0.00 0.00 178.00 179.11 1xmf h LEU 180 N 0.00 0.24 -1.09 1.56 3.38 -1.93 -2.78 115.31 114.70 1xmf h LEU 180 Ca -0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1xmf h LEU 180 Cb 1.19 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1xmf h LEU 180 CO 0.08 0.17 0.24 -0.25 0.09 0.00 0.00 178.44 178.77 1xmf h TRP 181 N 0.28 0.89 -0.50 1.13 -0.00 -1.81 -3.16 115.95 112.79 1xmf h TRP 181 Ca 0.09 -0.05 0.04 0.00 -0.00 0.00 0.00 58.89 58.97 1xmf h TRP 181 Cb 0.02 -0.27 -0.04 0.00 -0.00 0.00 0.00 29.16 28.87 1xmf h TRP 181 CO -0.00 0.69 0.26 0.87 -0.00 0.00 0.00 178.44 180.26 1xmf h LYS 182 N 0.87 0.50 0.00 2.65 1.79 -1.68 -1.53 116.57 119.17 1xmf h LYS 182 Ca 0.21 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.62 1xmf h LYS 182 Cb 0.17 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1xmf h LYS 182 CO -0.02 0.33 -0.13 0.78 -1.08 0.00 0.00 179.45 179.33 1xmf h GLY 183 N 0.51 0.00 1.15 3.86 0.00 -1.68 -2.62 103.07 104.30 1xmf h GLY 183 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.38 1xmf h GLY 183 CO -0.14 0.00 -0.41 1.98 0.00 0.00 0.00 176.54 177.97 1xmf h MET 184 N 0.00 0.92 0.00 4.80 1.85 -1.29 -2.64 114.93 118.56 1xmf h MET 184 Ca -0.00 -0.50 -0.01 0.00 -0.61 0.00 0.00 59.70 58.58 1xmf h MET 184 Cb 0.47 0.02 -0.00 0.00 0.43 0.00 0.00 31.60 32.52 1xmf h MET 184 CO 0.02 1.15 -0.04 0.87 -0.40 0.00 0.00 176.91 178.51 1xmf h LYS 185 N 0.74 0.00 0.00 0.39 1.57 -1.16 -1.33 116.57 116.79 1xmf h LYS 185 Ca 0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1xmf h LYS 185 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1xmf h LYS 185 CO 0.10 0.04 -0.12 -0.09 -0.57 0.00 0.00 179.45 178.81 1xmf h ARG 186 N 0.00 0.08 0.10 3.15 1.12 -1.36 1.66 114.38 119.13 1xmf h ARG 186 Ca -0.00 -0.09 -0.29 0.00 -1.11 0.00 0.00 59.98 58.49 1xmf h ARG 186 Cb 0.45 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.43 1xmf h ARG 186 CO 0.01 0.87 -1.40 -0.39 -3.11 0.00 0.00 179.97 175.95 1xmf h VAL 187 N -0.68 1.30 -0.14 0.20 -1.51 -1.47 0.59 116.25 114.54 1xmf h VAL 187 Ca -0.02 -2.93 0.00 0.00 -1.23 0.00 0.00 66.70 62.52 1xmf h VAL 187 Cb 0.92 2.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.89 1xmf h VAL 187 CO 0.02 0.84 0.00 0.49 -1.23 0.00 0.00 177.57 177.69 1xmf n PHE 188 N -3.45 0.33 0.00 5.19 3.01 -0.51 -4.31 117.46 117.72 1xmf n PHE 188 Ca -0.12 -0.72 0.00 0.00 1.01 0.00 0.00 57.45 57.62 1xmf n PHE 188 Cb 1.03 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 40.37 1xmf n PHE 188 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1xmf n SER 189 N -0.52 0.00 -0.10 4.37 7.64 -0.64 -3.83 113.62 120.54 1xmf n SER 189 Ca 0.12 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.90 1xmf n SER 189 Cb 0.54 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.78 1xmf n SER 189 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1xmf h ASP 190 N 0.00 0.88 0.61 6.43 3.32 0.23 -1.96 116.42 125.93 1xmf h ASP 190 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1xmf h ASP 190 Cb 0.00 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.30 1xmf h ASP 190 CO 0.00 1.12 0.00 1.23 -1.72 0.00 0.00 179.24 179.87 1xmf h GLY 191 N 0.90 0.00 1.08 2.75 0.00 0.08 0.58 103.07 108.47 1xmf h GLY 191 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.10 1xmf h GLY 191 CO 0.08 0.00 -1.64 0.74 0.00 0.00 0.00 176.54 175.71 1xmf h PHE 192 N 0.00 0.34 0.00 5.60 0.05 -1.60 -3.41 116.94 117.92 1xmf h PHE 192 Ca 0.00 -0.25 0.00 0.00 3.82 0.00 0.00 57.97 61.54 1xmf h PHE 192 Cb 0.30 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 38.24 1xmf h PHE 192 CO 0.00 1.36 -1.11 0.44 -0.18 0.00 0.00 178.31 178.82 1xmf n ILE 193 N -3.36 0.00 -3.16 -0.55 -5.35 -0.79 -4.62 119.36 101.53 1xmf n ILE 193 Ca -0.19 -0.08 -0.43 0.00 -0.27 0.00 0.00 62.75 61.78 1xmf n ILE 193 Cb 1.04 0.45 -0.07 0.00 -1.74 0.00 0.00 39.64 39.32 1xmf n ILE 193 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1xmf s SER 194 N -2.32 6.27 0.00 7.28 0.01 0.20 -4.94 113.70 120.20 1xmf s SER 194 Ca -0.01 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1xmf s SER 194 Cb 0.02 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1xmf s SER 194 CO 0.13 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.60 1xmf n GLY 195 N 5.10 0.77 3.63 3.44 0.00 -1.26 -4.73 105.19 112.14 1xmf n GLY 195 Ca -0.04 -2.13 -0.48 0.00 0.00 0.00 0.00 46.02 43.37 1xmf n GLY 195 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xmf n ASP 196 N 1.47 2.17 -0.26 1.61 4.64 -1.26 -4.71 116.55 120.21 1xmf n ASP 196 Ca 0.00 1.12 0.18 0.00 -1.38 0.00 0.00 54.79 54.72 1xmf n ASP 196 Cb 0.00 -1.31 0.48 0.00 -1.04 0.00 0.00 41.12 39.25 1xmf n ASP 196 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1xmf h ALA 197 N 4.40 2.13 -0.02 -1.67 0.00 -1.95 0.39 119.26 122.54 1xmf h ALA 197 Ca -0.45 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 1xmf h ALA 197 Cb 1.30 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1xmf h ALA 197 CO 0.77 -0.43 -0.59 0.28 0.00 0.00 0.00 179.25 179.28 1xmf h VAL 198 N 0.46 1.41 -0.19 0.00 2.07 -1.91 0.27 116.25 118.36 1xmf h VAL 198 Ca 0.49 -1.99 -0.18 0.00 0.82 0.00 0.00 66.70 65.84 1xmf h VAL 198 Cb 1.14 2.05 0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1xmf h VAL 198 CO -0.21 0.58 -0.58 -0.08 0.02 0.00 0.00 177.57 177.30 1xmf h GLU 199 N 0.06 0.73 -0.17 1.57 4.81 -0.71 -2.40 114.58 118.46 1xmf h GLU 199 Ca -0.01 -0.53 -0.12 0.00 -0.13 0.00 0.00 59.36 58.57 1xmf h GLU 199 Cb 1.06 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1xmf h GLU 199 CO 0.08 1.15 -0.42 0.00 -0.73 0.00 0.00 179.01 179.09 1xmf h SER 201 N 0.33 0.94 -0.24 0.00 0.87 -0.39 -1.45 113.55 113.61 1xmf h SER 201 Ca 0.03 -0.13 -0.20 0.00 -1.23 0.00 0.00 61.79 60.26 1xmf h SER 201 Cb 0.88 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1xmf h SER 201 CO 0.07 0.81 -0.62 -0.07 -0.53 0.00 0.00 176.83 176.50 1xmf h LEU 202 N 1.01 0.97 -1.40 2.23 3.38 -1.25 0.25 115.31 120.51 1xmf h LEU 202 Ca 0.25 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 1xmf h LEU 202 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1xmf h LEU 202 CO -0.03 1.36 0.05 0.78 0.09 0.00 0.00 178.44 180.69 1xmf h ASN 203 N 0.64 0.41 0.00 -0.43 2.35 -1.12 0.16 115.58 117.59 1xmf h ASN 203 Ca -0.01 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 1xmf h ASN 203 Cb 1.23 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 1xmf h ASN 203 CO 0.13 0.44 -0.64 -0.11 -1.65 0.00 0.00 177.43 175.61 1xmf n LEU 204 N -4.34 1.82 -0.09 1.61 7.94 -0.56 -1.88 117.00 121.49 1xmf n LEU 204 Ca 0.01 0.60 -0.11 0.00 -1.11 0.00 0.00 56.01 55.41 1xmf n LEU 204 Cb 0.19 -0.89 -0.05 0.00 0.53 0.00 0.00 43.42 43.21 1xmf n LEU 204 CO 0.37 -0.35 -0.52 0.00 -1.11 0.00 0.00 177.39 175.78 1xmf n GLN 205 N -4.59 0.50 0.25 1.96 6.02 0.87 0.14 117.38 122.52 1xmf n GLN 205 Ca -0.11 0.47 0.11 0.00 -0.01 0.00 0.00 57.00 57.45 1xmf n GLN 205 Cb 0.33 -1.65 0.63 0.00 1.02 0.00 0.00 30.24 30.58 1xmf n GLN 205 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1xmf h LEU 206 N -1.00 0.00 0.00 1.08 5.85 -1.53 -2.03 115.31 117.68 1xmf h LEU 206 Ca -0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1xmf h LEU 206 Cb 0.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1xmf h LEU 206 CO -0.08 0.17 -0.07 0.52 -0.34 0.00 0.00 178.44 178.64 1xmf n VAL 207 N -3.72 1.00 0.01 1.05 0.31 0.56 -4.49 118.33 113.05 1xmf n VAL 207 Ca -0.02 0.33 -0.02 0.00 -0.01 0.00 0.00 64.34 64.63 1xmf n VAL 207 Cb 0.28 -1.45 -0.01 0.00 -0.91 0.00 0.00 33.84 31.75 1xmf n VAL 207 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1xmf h GLY 208 N 0.00 -1.24 0.90 2.92 0.00 -1.38 0.21 103.07 104.48 1xmf h GLY 208 Ca 0.00 0.55 -0.03 0.00 0.00 0.00 0.00 47.33 47.85 1xmf h GLY 208 CO 0.00 -0.45 -0.25 0.83 0.00 0.00 0.00 176.54 176.67 1xmf h GLU 209 N -0.08 -0.67 -0.45 4.80 5.08 0.11 0.10 114.58 123.47 1xmf h GLU 209 Ca -0.00 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1xmf h GLU 209 Cb 0.08 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1xmf h GLU 209 CO -0.03 -0.40 0.25 0.00 -1.00 0.00 0.00 179.01 177.82 1xmf h ALA 210 N -0.38 0.57 0.13 3.43 0.00 -1.43 -1.12 119.26 120.46 1xmf h ALA 210 Ca -0.07 -0.09 -0.31 0.00 0.00 0.00 0.00 54.91 54.44 1xmf h ALA 210 Cb 0.58 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xmf h ALA 210 CO 0.12 0.10 -1.57 0.00 0.00 0.00 0.00 179.25 177.90 1xmf n PHE 212 N -3.47 0.00 -0.04 0.00 3.72 -0.55 -4.74 117.46 112.38 1xmf n PHE 212 Ca -0.18 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.21 1xmf n PHE 212 Cb 1.05 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.58 1xmf n PHE 212 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1xmf n THR 213 N -1.65 -0.07 0.19 4.37 -1.04 0.25 -0.62 114.28 115.72 1xmf n THR 213 Ca 0.00 0.40 -0.08 0.00 -2.04 0.00 0.00 64.05 62.33 1xmf n THR 213 Cb 0.00 -0.51 -0.04 0.00 -1.82 0.00 0.00 70.33 67.97 1xmf n THR 213 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1xmf h ASN 214 N 0.00 -0.45 -0.44 8.00 4.21 -1.44 0.28 115.58 125.74 1xmf h ASN 214 Ca 0.02 0.02 0.13 0.00 1.21 0.00 0.00 56.30 57.67 1xmf h ASN 214 Cb 0.04 0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.34 1xmf h ASN 214 CO -0.09 -0.30 0.45 -0.65 -1.29 0.00 0.00 177.43 175.54 1xmf h PRO 215 N -0.49 0.00 -0.04 0.81 0.11 -1.71 0.76 132.00 131.43 1xmf h PRO 215 Ca -0.05 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1xmf h PRO 215 Cb 0.38 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 1xmf h PRO 215 CO 0.07 0.00 -0.05 1.25 -0.21 0.00 0.00 178.00 179.06 1xmf h LEU 216 N 0.00 0.11 -0.57 2.35 5.85 -0.52 -1.85 115.31 120.68 1xmf h LEU 216 Ca 0.21 -0.51 0.11 0.00 0.84 0.00 0.00 57.88 58.53 1xmf h LEU 216 Cb 1.10 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.02 1xmf h LEU 216 CO -0.00 0.60 0.07 0.40 -0.34 0.00 0.00 178.44 179.17 1xmf h ILE 217 N -0.38 0.62 0.04 4.05 1.08 0.20 0.27 117.51 123.40 1xmf h ILE 217 Ca 0.01 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1xmf h ILE 217 Cb 0.57 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1xmf h ILE 217 CO 0.01 0.04 -0.02 0.58 -0.69 0.00 0.00 178.15 178.07 1xmf h VAL 218 N 0.20 0.99 -0.61 1.67 2.07 -1.48 -2.49 116.25 116.60 1xmf h VAL 218 Ca 0.29 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.81 1xmf h VAL 218 Cb 0.44 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 1xmf h VAL 218 CO -0.42 0.02 0.28 0.00 0.02 0.00 0.00 177.57 177.47 1xmf h ALA 219 N 0.87 0.80 -0.66 1.67 0.00 -0.37 -1.50 119.26 120.06 1xmf h ALA 219 Ca -0.01 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1xmf h ALA 219 Cb 0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1xmf h ALA 219 CO 0.01 -0.11 0.34 0.28 0.00 0.00 0.00 179.25 179.77 1xmf h VAL 220 N 0.50 0.91 -0.26 0.00 2.07 -0.25 0.82 116.25 120.04 1xmf h VAL 220 Ca 0.29 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1xmf h VAL 220 Cb 0.28 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1xmf h VAL 220 CO -0.24 0.11 0.10 0.71 0.02 0.00 0.00 177.57 178.26 1xmf h THR 221 N 0.61 1.11 0.14 2.57 1.35 -0.85 0.23 112.91 118.06 1xmf h THR 221 Ca 0.31 -0.34 -0.01 0.00 -0.55 0.00 0.00 66.41 65.82 1xmf h THR 221 Cb 0.26 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1xmf h THR 221 CO -0.22 0.13 -0.07 -0.08 -0.25 0.00 0.00 175.52 175.03 1xmf h GLU 222 N 0.36 -0.18 -0.54 4.72 4.57 -0.20 -1.06 114.58 122.26 1xmf h GLU 222 Ca 0.09 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1xmf h GLU 222 Cb 0.09 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 1xmf h GLU 222 CO -0.01 0.27 0.34 -1.49 -1.18 0.00 0.00 179.01 176.94 1xmf h TRP 223 N -0.75 0.69 -0.09 0.92 4.06 -0.76 -1.67 115.95 118.36 1xmf h TRP 223 Ca -0.02 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 1xmf h TRP 223 Cb 0.53 -0.23 -0.00 0.00 -1.00 0.00 0.00 29.16 28.46 1xmf h TRP 223 CO 0.08 0.45 0.01 0.00 -3.56 0.00 0.00 178.44 175.43 1xmf h ALA 224 N 1.63 0.11 -0.86 1.49 0.00 -0.52 -2.67 119.26 118.44 1xmf h ALA 224 Ca 0.20 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1xmf h ALA 224 Cb -0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1xmf h ALA 224 CO -0.04 -0.24 0.56 0.00 0.00 0.00 0.00 179.25 179.53 1xmf h ALA 225 N 0.78 1.14 0.00 0.00 0.00 -0.76 0.48 119.26 120.90 1xmf h ALA 225 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xmf h ALA 225 Cb 0.28 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xmf h ALA 225 CO 0.00 0.41 -0.07 0.00 0.00 0.00 0.00 179.25 179.59 1xmf h ALA 226 N 1.36 1.28 -0.46 0.00 0.00 -1.22 -2.62 119.26 117.59 1xmf h ALA 226 Ca 0.34 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 1xmf h ALA 226 Cb -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1xmf h ALA 226 CO -0.11 0.09 0.08 0.09 0.00 0.00 0.00 179.25 179.39 1xmf n ASN 227 N -3.57 4.13 0.00 0.00 4.13 -0.40 -4.69 115.26 114.86 1xmf n ASN 227 Ca -0.02 -3.21 0.00 0.00 1.68 0.00 0.00 54.58 53.03 1xmf n ASN 227 Cb 0.18 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 37.78 1xmf n ASN 227 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xmf n GLY 228 N -0.40 0.81 3.51 7.41 0.00 -0.99 -1.64 105.19 113.89 1xmf n GLY 228 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 1xmf n GLY 228 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xmf s ASP 229 N -2.67 6.32 0.00 1.61 2.15 0.02 -4.40 116.67 119.70 1xmf s ASP 229 Ca 0.00 -0.41 0.18 0.00 0.43 0.00 0.00 52.55 52.74 1xmf s ASP 229 Cb 0.00 -2.33 -0.06 0.00 -0.30 0.00 0.00 42.92 40.23 1xmf s ASP 229 CO 0.00 -0.86 0.86 -0.62 -0.17 0.00 0.00 175.17 174.37 1xmf n GLU 230 N 6.42 1.52 0.00 4.34 -0.58 -1.26 -3.26 120.64 127.83 1xmf n GLU 230 Ca -0.02 -0.60 -0.12 0.00 -0.42 0.00 0.00 57.16 56.00 1xmf n GLU 230 Cb 0.47 -1.32 -0.10 0.00 -0.57 0.00 0.00 31.44 29.93 1xmf n GLU 230 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1xmf h ILE 231 N 1.36 1.24 -0.65 -3.67 1.08 -1.89 -3.08 117.51 111.92 1xmf h ILE 231 Ca 0.00 -1.34 -0.01 0.00 -0.39 0.00 0.00 64.86 63.12 1xmf h ILE 231 Cb 0.54 2.08 -0.03 0.00 -3.07 0.00 0.00 36.82 36.34 1xmf h ILE 231 CO 0.00 0.32 0.35 0.74 -0.69 0.00 0.00 178.15 178.86 1xmf h THR 232 N -0.72 1.21 -0.65 -0.27 2.02 -1.98 -2.69 112.91 109.82 1xmf h THR 232 Ca -0.01 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1xmf h THR 232 Cb 0.59 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1xmf h THR 232 CO 0.01 0.23 0.41 -0.65 0.37 0.00 0.00 175.52 175.90 1xmf h PRO 233 N 0.88 0.87 -0.97 6.66 0.11 -1.77 0.34 132.00 138.12 1xmf h PRO 233 Ca 0.23 -0.06 0.12 0.00 0.11 0.00 0.00 66.00 66.39 1xmf h PRO 233 Cb 0.06 -0.19 -0.08 0.00 0.11 0.00 0.00 31.00 30.89 1xmf h PRO 233 CO -0.03 0.60 0.60 1.15 -0.21 0.00 0.00 178.00 180.10 1xmf h THR 234 N 0.89 0.91 0.00 -1.15 2.02 -1.39 -0.57 112.91 113.62 1xmf h THR 234 Ca 0.24 -0.33 -0.12 0.00 0.77 0.00 0.00 66.41 66.98 1xmf h THR 234 Cb -0.07 -0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.20 1xmf h THR 234 CO -0.05 0.17 -0.71 0.58 0.37 0.00 0.00 175.52 175.88 1xmf h VAL 235 N 0.95 0.90 -0.34 3.16 2.07 -1.17 -3.35 116.25 118.47 1xmf h VAL 235 Ca 0.48 -1.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 1xmf h VAL 235 Cb 0.47 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1xmf h VAL 235 CO -0.27 0.31 0.13 -0.26 0.02 0.00 0.00 177.57 177.50 1xmf h PHE 236 N -1.00 0.47 -0.19 1.57 -1.00 -0.33 -0.49 116.94 115.98 1xmf h PHE 236 Ca -0.17 -0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.54 1xmf h PHE 236 Cb 0.98 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.38 1xmf h PHE 236 CO 0.08 0.38 -0.13 -0.07 -1.61 0.00 0.00 178.31 176.96 1xmf h LEU 237 N 0.48 0.29 -0.58 1.54 3.38 -1.27 -0.39 115.31 118.75 1xmf h LEU 237 Ca 0.12 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1xmf h LEU 237 Cb 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1xmf h LEU 237 CO -0.01 0.45 -0.48 -1.28 0.09 0.00 0.00 178.44 177.21 1xmf h SER 238 N 0.28 0.63 -0.26 -0.43 0.87 -1.27 -2.88 113.55 110.50 1xmf h SER 238 Ca 0.06 -0.31 -0.11 0.00 -1.23 0.00 0.00 61.79 60.19 1xmf h SER 238 Cb 0.41 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1xmf h SER 238 CO 0.02 1.01 -0.22 0.40 -0.53 0.00 0.00 176.83 177.52 1xmf h ILE 239 N 0.47 1.27 -0.37 2.23 2.04 -0.47 -3.07 117.51 119.60 1xmf h ILE 239 Ca 0.03 -1.32 0.02 0.00 1.00 0.00 0.00 64.86 64.59 1xmf h ILE 239 Cb 1.00 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 1xmf h ILE 239 CO 0.09 0.44 0.21 -0.08 0.00 0.00 0.00 178.15 178.81 1xmf h GLU 240 N 0.64 0.42 -0.76 2.37 4.81 -0.90 -1.65 114.58 119.52 1xmf h GLU 240 Ca 0.09 -0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.46 1xmf h GLU 240 Cb 0.72 -0.10 -0.11 0.00 0.63 0.00 0.00 28.75 29.89 1xmf h GLU 240 CO 0.05 0.28 0.22 1.79 -0.73 0.00 0.00 179.01 180.63 1xmf h THR 241 N 0.44 0.53 -0.09 0.32 1.35 -1.42 0.11 112.91 114.14 1xmf h THR 241 Ca 0.15 -0.11 -0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1xmf h THR 241 Cb 0.01 0.19 -0.00 0.00 -1.73 0.00 0.00 68.15 66.62 1xmf h THR 241 CO -0.07 0.06 0.04 0.44 -0.25 0.00 0.00 175.52 175.74 1xmf h ASP 242 N 0.31 0.13 -0.13 5.36 3.45 -1.47 -2.84 116.42 121.23 1xmf h ASP 242 Ca 0.44 -0.13 0.04 0.00 0.43 0.00 0.00 57.03 57.80 1xmf h ASP 242 Cb 0.74 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.48 1xmf h ASP 242 CO -0.50 0.23 0.10 -0.33 -1.57 0.00 0.00 179.24 177.16 1xmf h GLU 243 N 0.02 0.00 0.00 3.56 4.39 -0.06 0.95 114.58 123.45 1xmf h GLU 243 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1xmf h GLU 243 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1xmf h GLU 243 CO -0.00 0.00 0.00 -0.07 -1.16 0.00 0.00 179.01 177.78 1xmf h LEU 244 N 0.00 0.00 0.08 1.33 4.07 -0.62 -0.96 115.31 119.20 1xmf h LEU 244 Ca 0.06 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.68 1xmf h LEU 244 Cb 0.26 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.97 1xmf h LEU 244 CO -0.00 0.00 -1.92 0.54 -1.08 0.00 0.00 178.44 175.98 1xmf n ARG 245 N -2.56 0.71 0.21 1.13 1.74 0.32 -3.94 116.66 114.27 1xmf n ARG 245 Ca -0.02 0.27 0.06 0.00 -0.77 0.00 0.00 57.85 57.39 1xmf n ARG 245 Cb 0.07 -1.73 0.47 0.00 -1.02 0.00 0.00 32.46 30.25 1xmf n ARG 245 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xmf h HIS 246 N 0.04 0.00 0.70 -1.55 3.86 -1.16 -2.66 115.15 114.39 1xmf h HIS 246 Ca -0.38 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 58.79 1xmf h HIS 246 Cb 2.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.50 1xmf h HIS 246 CO 0.05 0.28 -0.37 0.52 0.86 0.00 0.00 177.93 179.26 1xmf h MET 247 N 0.00 -0.96 -0.32 2.45 2.86 -1.46 -0.62 114.93 116.88 1xmf h MET 247 Ca -0.00 0.07 0.09 0.00 -2.06 0.00 0.00 59.70 57.79 1xmf h MET 247 Cb 0.54 0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1xmf h MET 247 CO 0.04 -0.64 0.27 0.00 1.06 0.00 0.00 176.91 177.63 1xmf h ALA 248 N -0.72 2.14 -0.00 6.32 0.00 -1.64 0.73 119.26 126.09 1xmf h ALA 248 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xmf h ALA 248 Cb 0.78 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1xmf h ALA 248 CO 0.13 -0.43 -0.13 -1.71 0.00 0.00 0.00 179.25 177.12 1xmf n ASN 249 N -4.14 0.48 0.02 0.00 5.15 -0.85 -3.82 115.26 112.10 1xmf n ASN 249 Ca 0.05 -0.52 -0.12 0.00 -0.60 0.00 0.00 54.58 53.38 1xmf n ASN 249 Cb 0.43 -0.07 -0.01 0.00 -0.53 0.00 0.00 39.78 39.60 1xmf n ASN 249 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1xmf h GLY 250 N 4.97 0.62 2.00 8.20 0.00 0.20 -3.13 103.07 115.93 1xmf h GLY 250 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 47.33 46.34 1xmf h GLY 250 CO 0.00 0.77 -0.60 -0.97 0.00 0.00 0.00 176.54 175.73 1xmf h TYR 251 N 0.39 0.00 -0.54 5.60 0.99 -1.66 -3.16 116.97 118.59 1xmf h TYR 251 Ca -0.03 0.00 0.16 0.00 2.00 0.00 0.00 58.73 60.85 1xmf h TYR 251 Cb 1.32 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 39.03 1xmf h TYR 251 CO 0.06 0.60 0.43 1.96 -0.00 0.00 0.00 178.16 181.22 1xmf h GLN 252 N 0.00 0.00 0.00 4.88 1.08 -1.70 0.15 115.11 119.52 1xmf h GLN 252 Ca -0.01 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 56.99 1xmf h GLN 252 Cb 1.18 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.58 1xmf h GLN 252 CO 0.08 0.00 -1.03 1.15 -0.95 0.00 0.00 178.83 178.08 1xmf h THR 253 N 0.00 1.44 0.00 -0.54 2.02 -1.66 -2.96 112.91 111.22 1xmf h THR 253 Ca 0.26 -3.11 0.00 0.00 0.77 0.00 0.00 66.41 64.32 1xmf h THR 253 Cb 1.12 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 70.23 1xmf h THR 253 CO -0.00 0.82 -0.36 0.52 0.37 0.00 0.00 175.52 176.87 1xmf n VAL 254 N -3.28 0.26 -0.02 3.16 0.31 0.34 -3.83 118.33 115.27 1xmf n VAL 254 Ca -0.02 -0.16 -0.13 0.00 -0.01 0.00 0.00 64.34 64.02 1xmf n VAL 254 Cb 0.92 -0.20 -0.14 0.00 -0.91 0.00 0.00 33.84 33.51 1xmf n VAL 254 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1xmf n VAL 255 N -1.89 1.64 1.76 2.52 0.31 -0.10 -2.66 118.33 119.91 1xmf n VAL 255 Ca 0.05 -0.75 0.12 0.00 -0.01 0.00 0.00 64.34 63.74 1xmf n VAL 255 Cb 0.40 -1.22 0.69 0.00 -0.91 0.00 0.00 33.84 32.79 1xmf n VAL 255 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1xmf n SER 256 N -3.16 0.00 0.00 4.52 3.41 -1.12 -3.53 113.62 113.74 1xmf n SER 256 Ca -0.24 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 1xmf n SER 256 Cb 1.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 1xmf n SER 256 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1xmf n ILE 257 N -0.91 0.00 0.18 -1.33 -5.35 -1.26 -2.09 119.36 108.60 1xmf n ILE 257 Ca 0.17 -0.05 0.16 0.00 -0.27 0.00 0.00 62.75 62.77 1xmf n ILE 257 Cb 0.08 0.41 0.63 0.00 -1.74 0.00 0.00 39.64 39.02 1xmf n ILE 257 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xmf h ALA 258 N 0.00 1.90 0.00 -1.28 0.00 -1.55 -1.80 119.26 116.54 1xmf h ALA 258 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1xmf h ALA 258 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1xmf h ALA 258 CO 0.00 -0.72 -0.93 -0.91 0.00 0.00 0.00 179.25 176.70 1xmf h ASN 259 N 0.00 0.01 -1.50 0.00 4.21 -1.87 -3.46 115.58 112.97 1xmf h ASN 259 Ca 0.13 -0.65 -0.72 0.00 1.21 0.00 0.00 56.30 56.27 1xmf h ASN 259 Cb 1.29 -0.00 0.05 0.00 -1.12 0.00 0.00 38.32 38.53 1xmf h ASN 259 CO -0.00 1.36 0.43 -0.67 -1.29 0.00 0.00 177.43 177.26 1xmf n ASP 260 N -4.47 1.37 -0.28 5.81 2.03 -0.68 -4.83 116.55 115.51 1xmf n ASP 260 Ca -0.26 1.12 0.15 0.00 0.52 0.00 0.00 54.79 56.32 1xmf n ASP 260 Cb 0.63 -1.12 0.42 0.00 -0.72 0.00 0.00 41.12 40.33 1xmf n ASP 260 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1xmf h PRO 261 N 4.55 0.58 -0.83 -0.67 0.11 -1.91 -1.79 132.00 132.04 1xmf h PRO 261 Ca -0.48 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.64 1xmf h PRO 261 Cb 1.35 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1xmf h PRO 261 CO 0.78 0.38 0.52 0.00 -0.21 0.00 0.00 178.00 179.47 1xmf h ALA 262 N 1.61 1.11 -0.87 -0.75 0.00 -1.88 -2.33 119.26 116.14 1xmf h ALA 262 Ca 0.49 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.50 1xmf h ALA 262 Cb 0.94 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 1xmf h ALA 262 CO -0.23 0.32 0.49 1.03 0.00 0.00 0.00 179.25 180.85 1xmf h SER 263 N 0.99 0.66 0.00 0.00 0.87 -1.55 0.33 113.55 114.86 1xmf h SER 263 Ca 0.34 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 1xmf h SER 263 Cb 0.07 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1xmf h SER 263 CO -0.14 0.33 0.00 0.00 -0.53 0.00 0.00 176.83 176.49 1xmf n ALA 264 N -2.39 2.07 -0.54 6.23 0.00 -0.88 -1.44 120.51 123.56 1xmf n ALA 264 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1xmf n ALA 264 Cb 0.37 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1xmf n ALA 264 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1xmf n LYS 265 N -0.73 0.30 0.00 0.00 2.85 0.92 -4.92 118.16 116.59 1xmf n LYS 265 Ca 0.06 -0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1xmf n LYS 265 Cb 0.03 -0.41 0.00 0.00 -0.65 0.00 0.00 35.03 34.00 1xmf n LYS 265 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1xmf n TYR 266 N -0.06 0.00 -0.04 5.58 0.53 0.25 -4.87 117.16 118.55 1xmf n TYR 266 Ca 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 57.90 56.84 1xmf n TYR 266 Cb 0.13 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.42 1xmf n TYR 266 CO 0.00 0.00 0.00 1.25 -1.02 0.00 0.00 176.86 177.09 1xmf h LEU 267 N 0.00 -0.53 -1.61 7.72 5.85 -1.45 -2.17 115.31 123.12 1xmf h LEU 267 Ca 0.00 0.07 0.33 0.00 0.84 0.00 0.00 57.88 59.12 1xmf h LEU 267 Cb 0.40 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.56 1xmf h LEU 267 CO 0.00 -0.12 0.78 0.78 -0.34 0.00 0.00 178.44 179.55 1xmf h ASN 268 N -0.12 0.25 -0.04 1.25 -0.26 -1.92 -1.01 115.58 113.73 1xmf h ASN 268 Ca 0.02 0.06 -0.06 0.00 -0.56 0.00 0.00 56.30 55.76 1xmf h ASN 268 Cb 0.17 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 1xmf h ASN 268 CO -0.17 0.01 -0.19 0.71 -1.06 0.00 0.00 177.43 176.74 1xmf h THR 269 N 0.20 1.46 -0.12 2.81 1.35 -1.74 -0.82 112.91 116.05 1xmf h THR 269 Ca 0.63 -1.64 -0.06 0.00 -0.55 0.00 0.00 66.41 64.79 1xmf h THR 269 Cb 1.99 2.41 -0.01 0.00 -1.73 0.00 0.00 68.15 70.81 1xmf h THR 269 CO -0.20 0.45 -0.20 0.44 -0.25 0.00 0.00 175.52 175.76 1xmf h ASP 270 N -0.35 0.19 -0.23 5.36 3.32 -0.93 -1.75 116.42 122.03 1xmf h ASP 270 Ca -0.01 -0.05 -0.19 0.00 0.02 0.00 0.00 57.03 56.80 1xmf h ASP 270 Cb 0.84 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1xmf h ASP 270 CO 0.04 0.41 -0.60 0.25 -1.72 0.00 0.00 179.24 177.61 1xmf h LEU 271 N 0.18 0.95 -0.22 1.55 5.85 -1.21 0.62 115.31 123.03 1xmf h LEU 271 Ca 0.03 -0.54 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 1xmf h LEU 271 Cb 0.47 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1xmf h LEU 271 CO 0.03 1.33 0.02 -1.13 -0.34 0.00 0.00 178.44 178.35 1xmf h ASN 272 N 0.63 0.37 -0.31 1.25 -1.24 -0.86 0.16 115.58 115.58 1xmf h ASN 272 Ca -0.00 -0.29 -0.07 0.00 0.71 0.00 0.00 56.30 56.65 1xmf h ASN 272 Cb 1.21 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 40.15 1xmf h ASN 272 CO 0.13 0.57 -0.02 0.78 -1.29 0.00 0.00 177.43 177.60 1xmf h ASN 273 N 0.16 0.64 -0.09 1.15 -0.26 -1.33 -0.98 115.58 114.86 1xmf h ASN 273 Ca 0.06 -0.14 -0.01 0.00 -0.56 0.00 0.00 56.30 55.65 1xmf h ASN 273 Cb 0.37 -0.17 -0.00 0.00 -1.06 0.00 0.00 38.32 37.46 1xmf h ASN 273 CO 0.01 0.72 0.02 0.00 -1.06 0.00 0.00 177.43 177.12 1xmf h ALA 274 N 1.36 0.12 0.38 -0.83 0.00 -0.58 -0.28 119.26 119.43 1xmf h ALA 274 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1xmf h ALA 274 Cb 0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1xmf h ALA 274 CO 0.02 -0.24 -0.26 0.35 0.00 0.00 0.00 179.25 179.11 1xmf h PHE 275 N -0.06 -0.69 -0.20 0.00 3.57 -0.36 -1.63 116.94 117.57 1xmf h PHE 275 Ca 0.03 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1xmf h PHE 275 Cb 0.25 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 1xmf h PHE 275 CO 0.01 -0.40 -0.08 2.35 -2.23 0.00 0.00 178.31 177.96 1xmf h TRP 276 N -0.63 -0.19 -0.35 0.41 2.91 -1.18 -0.83 115.95 116.10 1xmf h TRP 276 Ca -0.04 0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.08 1xmf h TRP 276 Cb 0.53 0.11 -0.08 0.00 -0.51 0.00 0.00 29.16 29.21 1xmf h TRP 276 CO -0.12 -0.13 -0.23 1.15 -1.03 0.00 0.00 178.44 178.08 1xmf h THR 277 N -0.05 0.37 0.39 2.65 2.02 -0.88 0.37 112.91 117.79 1xmf h THR 277 Ca 0.11 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 1xmf h THR 277 Cb 0.21 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1xmf h THR 277 CO -0.23 0.00 -0.19 1.56 0.37 0.00 0.00 175.52 177.03 1xmf h GLN 278 N -0.19 -0.50 0.00 6.66 1.08 -0.94 -3.04 115.11 118.18 1xmf h GLN 278 Ca 0.17 0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.36 1xmf h GLN 278 Cb 0.46 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 1xmf h GLN 278 CO -0.46 -0.28 -0.21 -0.56 -0.95 0.00 0.00 178.83 176.37 1xmf h GLN 279 N -0.61 0.00 -0.56 1.46 -0.00 -0.91 -2.15 115.11 112.35 1xmf h GLN 279 Ca -0.05 0.00 0.09 0.00 -0.00 0.00 0.00 58.65 58.68 1xmf h GLN 279 Cb 0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.90 1xmf h GLN 279 CO 0.09 0.21 0.37 -0.22 -0.00 0.00 0.00 178.83 179.28 1xmf h LYS 280 N 0.00 0.38 0.00 0.06 1.63 -0.13 -2.01 116.57 116.50 1xmf h LYS 280 Ca -0.00 -0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.66 1xmf h LYS 280 Cb 0.51 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 1xmf h LYS 280 CO 0.03 0.25 -1.25 0.98 -3.45 0.00 0.00 179.45 176.01 1xmf n TYR 281 N -4.47 0.29 0.10 1.91 9.36 -0.96 -4.59 117.16 118.79 1xmf n TYR 281 Ca 0.09 0.12 0.01 0.00 3.32 0.00 0.00 57.90 61.45 1xmf n TYR 281 Cb 0.34 -0.71 0.35 0.00 -0.63 0.00 0.00 39.34 38.69 1xmf n TYR 281 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1xmf h PHE 282 N -1.00 0.29 -0.39 2.98 0.04 -1.47 -1.06 116.94 116.33 1xmf h PHE 282 Ca -0.18 -0.04 0.07 0.00 2.80 0.00 0.00 57.97 60.63 1xmf h PHE 282 Cb 1.05 -0.08 -0.07 0.00 2.20 0.00 0.00 35.95 39.06 1xmf h PHE 282 CO -0.27 0.43 -0.01 1.15 -0.60 0.00 0.00 178.31 179.00 1xmf h THR 283 N 0.26 0.69 0.01 -1.55 2.02 -1.58 -1.25 112.91 111.51 1xmf h THR 283 Ca 0.05 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 1xmf h THR 283 Cb 0.43 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1xmf h THR 283 CO 0.03 0.02 -0.11 -0.65 0.37 0.00 0.00 175.52 175.17 1xmf h PRO 284 N 0.09 0.02 0.36 6.66 0.11 -1.73 -3.29 132.00 134.21 1xmf h PRO 284 Ca 0.19 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1xmf h PRO 284 Cb 0.28 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 1xmf h PRO 284 CO -0.33 1.01 -0.20 0.28 -0.21 0.00 0.00 178.00 178.55 1xmf h VAL 285 N -0.96 0.59 0.24 3.15 2.07 -1.19 -1.78 116.25 118.37 1xmf h VAL 285 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1xmf h VAL 285 Cb 1.05 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1xmf h VAL 285 CO -0.00 0.00 -0.17 -0.07 0.02 0.00 0.00 177.57 177.35 1xmf h LEU 286 N -0.53 -0.45 -0.80 2.57 3.38 -1.43 0.23 115.31 118.28 1xmf h LEU 286 Ca -0.04 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.09 1xmf h LEU 286 Cb 0.42 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 1xmf h LEU 286 CO 0.06 -0.27 0.39 1.23 0.09 0.00 0.00 178.44 179.94 1xmf h GLY 287 N -0.41 1.26 0.94 0.83 0.00 -1.63 -0.05 103.07 104.01 1xmf h GLY 287 Ca -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1xmf h GLY 287 CO -0.00 -0.03 -0.29 1.98 0.00 0.00 0.00 176.54 178.20 1xmf h MET 288 N 0.58 -0.74 -0.80 4.80 1.85 -0.59 -0.25 114.93 119.78 1xmf h MET 288 Ca 0.43 0.05 0.09 0.00 -0.61 0.00 0.00 59.70 59.66 1xmf h MET 288 Cb 0.58 0.17 -0.07 0.00 0.43 0.00 0.00 31.60 32.71 1xmf h MET 288 CO -0.35 -0.49 0.45 -0.07 -0.40 0.00 0.00 176.91 176.05 1xmf h LEU 289 N -0.76 0.64 0.50 3.39 3.38 0.15 0.18 115.31 122.78 1xmf h LEU 289 Ca -0.07 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1xmf h LEU 289 Cb 0.60 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1xmf h LEU 289 CO 0.09 0.37 -0.24 -0.26 0.09 0.00 0.00 178.44 178.49 1xmf h PHE 290 N 0.76 -0.62 -0.40 1.13 0.05 -0.87 -0.75 116.94 116.24 1xmf h PHE 290 Ca 0.39 -0.01 -0.10 0.00 3.82 0.00 0.00 57.97 62.06 1xmf h PHE 290 Cb 0.35 0.21 -0.02 0.00 2.00 0.00 0.00 35.95 38.49 1xmf h PHE 290 CO -0.07 -0.39 -0.16 0.93 -0.18 0.00 0.00 178.31 178.44 1xmf h GLU 291 N -0.93 0.76 0.00 1.51 5.08 -1.01 -3.11 114.58 116.88 1xmf h GLU 291 Ca -0.07 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1xmf h GLU 291 Cb 0.51 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1xmf h GLU 291 CO 0.11 0.88 -1.46 0.66 -1.00 0.00 0.00 179.01 178.20 1xmf n TYR 292 N -4.14 0.07 1.04 4.33 4.02 0.63 -4.23 117.16 118.88 1xmf n TYR 292 Ca 0.01 0.02 0.12 0.00 -0.01 0.00 0.00 57.90 58.04 1xmf n TYR 292 Cb 0.39 -0.33 0.28 0.00 -0.02 0.00 0.00 39.34 39.67 1xmf n TYR 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xmf n GLY 293 N 1.36 0.75 3.68 2.72 0.00 -0.29 -4.75 105.19 108.66 1xmf n GLY 293 Ca -0.00 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 1xmf n GLY 293 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xmf s SER 294 N -1.84 4.18 -0.11 1.61 1.04 -1.18 -2.73 113.70 114.68 1xmf s SER 294 Ca 0.33 -1.17 -0.09 0.00 0.48 0.00 0.00 55.95 55.50 1xmf s SER 294 Cb 0.20 -0.46 -0.05 0.00 0.10 0.00 0.00 66.02 65.82 1xmf s SER 294 CO 0.31 -0.45 -0.21 1.17 0.98 0.00 0.00 173.24 175.04 1xmf n LYS 295 N -1.09 0.32 -3.32 4.02 3.00 -1.26 -4.96 118.16 114.88 1xmf n LYS 295 Ca -0.03 0.14 -0.38 0.00 -0.00 0.00 0.00 58.31 58.03 1xmf n LYS 295 Cb 0.65 -1.06 -0.06 0.00 0.00 0.00 0.00 35.03 34.56 1xmf n LYS 295 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1xmf s PHE 296 N -2.43 3.69 0.24 5.64 0.40 -1.26 -4.98 117.98 119.29 1xmf s PHE 296 Ca -0.19 1.11 0.01 0.00 -0.60 0.00 0.00 56.93 57.26 1xmf s PHE 296 Cb 0.05 -2.49 -0.04 0.00 0.51 0.00 0.00 43.02 41.06 1xmf s PHE 296 CO 0.27 0.45 0.41 0.15 0.70 0.00 0.00 175.22 177.20 1xmf s LYS 297 N -0.48 3.49 -0.08 0.44 3.01 -1.26 -4.80 119.74 120.05 1xmf s LYS 297 Ca 0.28 -0.47 -0.03 0.00 -1.01 0.00 0.00 55.97 54.74 1xmf s LYS 297 Cb -0.18 -2.82 -0.04 0.00 -1.01 0.00 0.00 37.83 33.79 1xmf s LYS 297 CO 0.15 0.36 -0.10 0.28 0.51 0.00 0.00 175.35 176.55 1xmf n VAL 298 N -1.11 0.45 -3.64 3.17 0.31 -1.26 -5.07 118.33 111.19 1xmf n VAL 298 Ca -0.06 -0.13 -0.08 0.00 -0.01 0.00 0.00 64.34 64.06 1xmf n VAL 298 Cb 0.55 -1.42 -0.07 0.00 -0.91 0.00 0.00 33.84 31.99 1xmf n VAL 298 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1xmf s GLU 299 N -2.15 0.52 0.11 5.55 2.12 -1.26 -5.12 118.70 118.47 1xmf s GLU 299 Ca -0.11 0.68 -0.32 0.00 0.36 0.00 0.00 54.97 55.57 1xmf s GLU 299 Cb 0.04 0.22 -0.12 0.00 0.26 0.00 0.00 34.13 34.53 1xmf s GLU 299 CO 0.15 -0.07 1.77 -2.30 -0.54 0.00 0.00 175.26 174.27 1xmf n PRO 300 N 2.65 2.56 -0.33 4.30 -0.02 -1.26 -4.84 135.00 138.05 1xmf n PRO 300 Ca -0.14 0.93 0.17 0.00 -2.02 0.00 0.00 63.50 62.44 1xmf n PRO 300 Cb 0.56 -2.78 0.40 0.00 -0.02 0.00 0.00 33.50 31.66 1xmf n PRO 300 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1xmf h TRP 301 N 7.81 0.91 -0.96 6.00 2.91 -1.99 -0.46 115.95 130.16 1xmf h TRP 301 Ca -0.46 0.03 0.18 0.00 1.13 0.00 0.00 58.89 59.77 1xmf h TRP 301 Cb 1.23 -0.27 -0.10 0.00 -0.51 0.00 0.00 29.16 29.51 1xmf h TRP 301 CO 0.74 0.14 0.56 -0.24 -1.03 0.00 0.00 178.44 178.61 1xmf h VAL 302 N 0.59 0.71 0.00 2.65 3.04 -1.92 0.16 116.25 121.49 1xmf h VAL 302 Ca 0.59 -0.25 -0.15 0.00 -1.01 0.00 0.00 66.70 65.88 1xmf h VAL 302 Cb 1.16 -0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 30.34 1xmf h VAL 302 CO -0.37 0.13 -0.78 0.50 -1.01 0.00 0.00 177.57 176.04 1xmf h LYS 303 N 0.72 0.00 0.05 4.17 3.64 -1.46 -2.99 116.57 120.71 1xmf h LYS 303 Ca 0.55 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.92 1xmf h LYS 303 Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1xmf h LYS 303 CO -0.38 0.63 -0.02 1.15 -2.27 0.00 0.00 179.45 178.55 1xmf h THR 304 N 0.00 1.26 -0.45 1.00 2.02 -0.77 -2.79 112.91 113.19 1xmf h THR 304 Ca -0.03 -1.09 0.04 0.00 0.77 0.00 0.00 66.41 66.10 1xmf h THR 304 Cb 1.54 1.97 -0.04 0.00 -1.74 0.00 0.00 68.15 69.88 1xmf h THR 304 CO 0.08 0.27 0.20 -0.25 0.37 0.00 0.00 175.52 176.20 1xmf h TRP 305 N -0.56 0.37 -0.77 3.16 7.01 -0.86 -0.74 115.95 123.56 1xmf h TRP 305 Ca -0.01 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.04 1xmf h TRP 305 Cb 0.50 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.41 1xmf h TRP 305 CO 0.09 0.17 0.49 0.22 -2.79 0.00 0.00 178.44 176.62 1xmf h ASP 306 N 0.41 0.82 0.09 2.65 3.58 -1.57 0.15 116.42 122.54 1xmf h ASP 306 Ca 0.20 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 1xmf h ASP 306 Cb 0.14 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.00 1xmf h ASP 306 CO -0.16 0.57 -0.05 -0.09 -2.88 0.00 0.00 179.24 176.63 1xmf h ARG 307 N 0.96 -0.12 0.19 0.28 2.43 -1.15 -2.24 114.38 114.73 1xmf h ARG 307 Ca 0.30 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.49 1xmf h ARG 307 Cb -0.01 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1xmf h ARG 307 CO -0.10 0.25 -0.23 -1.49 -1.51 0.00 0.00 179.97 176.88 1xmf h TRP 308 N -0.52 -0.62 -0.09 2.20 4.06 -0.93 -1.59 115.95 118.46 1xmf h TRP 308 Ca -0.01 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1xmf h TRP 308 Cb 0.43 0.25 0.00 0.00 -1.00 0.00 0.00 29.16 28.84 1xmf h TRP 308 CO 0.05 -0.34 0.00 0.28 -3.56 0.00 0.00 178.44 174.87 1xmf n VAL 309 N -5.36 0.14 0.00 1.49 0.31 0.51 -0.62 118.33 114.80 1xmf n VAL 309 Ca -0.08 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1xmf n VAL 309 Cb 0.27 0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 1xmf n VAL 309 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1xmf n TYR 310 N -0.21 0.00 0.27 3.52 4.02 -0.84 -3.59 117.16 120.32 1xmf n TYR 310 Ca 0.03 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.06 1xmf n TYR 310 Cb 0.10 0.00 0.76 0.00 -0.02 0.00 0.00 39.34 40.18 1xmf n TYR 310 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1xmf h GLU 311 N 0.00 0.00 0.00 -0.72 3.07 -1.61 0.46 114.58 115.78 1xmf h GLU 311 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xmf h GLU 311 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1xmf h GLU 311 CO 0.00 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.36 1xmf n ASP 312 N -2.63 0.00 0.00 1.42 9.92 -0.62 -3.61 116.55 121.03 1xmf n ASP 312 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 1xmf n ASP 312 Cb 0.24 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 1xmf n ASP 312 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1xmf n TRP 313 N -1.70 0.00 0.00 1.24 -0.00 0.21 -0.04 117.44 117.15 1xmf n TRP 313 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1xmf n TRP 313 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 31.31 31.27 1xmf n TRP 313 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1xmf n GLY 314 N 1.48 -0.22 0.00 5.87 0.00 -1.24 -1.23 105.19 109.85 1xmf n GLY 314 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xmf n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xmf n GLY 315 N -1.18 0.22 0.31 -0.02 0.00 0.16 -4.71 105.19 99.98 1xmf n GLY 315 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1xmf n GLY 315 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1xmf h ILE 316 N 0.00 0.00 -0.57 -0.61 -0.00 -1.53 -0.55 117.51 114.24 1xmf h ILE 316 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 64.86 64.97 1xmf h ILE 316 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 36.82 36.74 1xmf h ILE 316 CO 0.00 0.00 0.11 -0.25 -0.00 0.00 0.00 178.15 178.01 1xmf h TRP 317 N -0.77 0.16 -0.06 0.16 2.91 -0.40 -2.74 115.95 115.20 1xmf h TRP 317 Ca -0.08 0.04 -0.24 0.00 1.13 0.00 0.00 58.89 59.74 1xmf h TRP 317 Cb 0.60 0.01 0.01 0.00 -0.51 0.00 0.00 29.16 29.28 1xmf h TRP 317 CO 0.06 -0.04 -0.92 0.82 -1.03 0.00 0.00 178.44 177.34 1xmf h ILE 318 N 0.24 1.30 -0.56 2.65 1.08 -1.24 -3.28 117.51 117.69 1xmf h ILE 318 Ca 0.30 -2.16 0.15 0.00 -0.39 0.00 0.00 64.86 62.75 1xmf h ILE 318 Cb 0.43 2.22 -0.03 0.00 -3.07 0.00 0.00 36.82 36.38 1xmf h ILE 318 CO -0.39 0.67 0.40 1.23 -0.69 0.00 0.00 178.15 179.36 1xmf h GLY 319 N 0.61 0.12 2.00 5.37 0.00 -0.80 -0.04 103.07 110.34 1xmf h GLY 319 Ca -0.09 -0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 1xmf h GLY 319 CO 0.18 0.01 -0.53 3.21 0.00 0.00 0.00 176.54 179.41 1xmf h ARG 320 N 0.08 0.00 -0.01 4.80 3.08 -1.57 -2.53 114.38 118.22 1xmf h ARG 320 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1xmf h ARG 320 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1xmf h ARG 320 CO -0.02 0.53 0.00 1.28 -1.07 0.00 0.00 179.97 180.69 1xmf n LEU 321 N -3.68 0.18 0.25 3.04 4.77 -0.04 -3.85 117.00 117.68 1xmf n LEU 321 Ca -0.01 -0.07 0.11 0.00 -0.03 0.00 0.00 56.01 56.01 1xmf n LEU 321 Cb 0.59 -0.01 0.73 0.00 -2.33 0.00 0.00 43.42 42.40 1xmf n LEU 321 CO 0.40 0.03 1.10 1.23 -1.33 0.00 0.00 177.39 178.82 1xmf h GLY 322 N 5.17 0.00 0.55 -0.72 0.00 -1.36 -1.07 103.07 105.65 1xmf h GLY 322 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xmf h GLY 322 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.12 1xmf n LYS 323 N -4.31 0.96 -0.03 4.80 2.85 -1.25 -2.32 118.16 118.86 1xmf n LYS 323 Ca -0.02 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.27 1xmf n LYS 323 Cb 0.13 -1.28 0.04 0.00 -0.65 0.00 0.00 35.03 33.27 1xmf n LYS 323 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1xmf n TYR 324 N -0.78 0.08 0.00 5.58 4.02 -0.41 -4.98 117.16 120.67 1xmf n TYR 324 Ca 0.13 -0.19 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1xmf n TYR 324 Cb 0.06 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 1xmf n TYR 324 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xmf n GLY 325 N 0.16 2.64 3.45 2.72 0.00 -0.98 -4.82 105.19 108.36 1xmf n GLY 325 Ca 0.04 -0.40 -0.62 0.00 0.00 0.00 0.00 46.02 45.04 1xmf n GLY 325 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xmf n VAL 326 N 0.00 0.00 -4.26 1.61 0.31 -1.17 -4.92 118.33 109.91 1xmf n VAL 326 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1xmf n VAL 326 Cb 0.00 -0.42 -0.10 0.00 -0.91 0.00 0.00 33.84 32.40 1xmf n VAL 326 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1xmf s GLU 327 N 2.53 1.97 0.35 5.55 1.03 -1.26 -4.05 118.70 124.82 1xmf s GLU 327 Ca 0.96 -1.10 -0.28 0.00 0.03 0.00 0.00 54.97 54.58 1xmf s GLU 327 Cb -1.37 -2.22 -0.12 0.00 -0.80 0.00 0.00 34.13 29.63 1xmf s GLU 327 CO 0.74 0.49 1.40 0.45 -1.33 0.00 0.00 175.26 177.02 1xmf n SER 328 N 0.73 3.33 -4.61 0.83 2.88 -1.26 -4.85 113.62 110.67 1xmf n SER 328 Ca -0.14 1.21 -0.48 0.00 -1.33 0.00 0.00 58.87 58.13 1xmf n SER 328 Cb 0.52 -1.56 -0.04 0.00 -0.75 0.00 0.00 64.21 62.39 1xmf n SER 328 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1xmf n PRO 329 N 0.60 1.44 0.00 -1.46 -0.02 -1.26 -4.83 135.00 129.48 1xmf n PRO 329 Ca 0.03 0.52 0.09 0.00 -2.02 0.00 0.00 63.50 62.12 1xmf n PRO 329 Cb 0.37 -2.08 0.44 0.00 -0.02 0.00 0.00 33.50 32.21 1xmf n PRO 329 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1xmf n ARG 330 N 1.99 0.07 -0.34 -0.52 1.85 -1.26 -2.23 116.66 116.23 1xmf n ARG 330 Ca 0.15 0.15 0.11 0.00 -1.00 0.00 0.00 57.85 57.26 1xmf n ARG 330 Cb 0.26 -1.50 0.30 0.00 -1.05 0.00 0.00 32.46 30.47 1xmf n ARG 330 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1xmf n SER 331 N -1.44 3.81 -0.19 2.89 3.41 -1.26 -4.48 113.62 116.35 1xmf n SER 331 Ca 0.06 -2.00 -0.04 0.00 -0.26 0.00 0.00 58.87 56.63 1xmf n SER 331 Cb 0.21 -0.44 0.14 0.00 -0.26 0.00 0.00 64.21 63.85 1xmf n SER 331 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1xmf h LEU 332 N 4.05 0.91 -0.51 1.04 5.85 -1.81 -1.04 115.31 123.80 1xmf h LEU 332 Ca 0.00 -0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.44 1xmf h LEU 332 Cb 0.96 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1xmf h LEU 332 CO 0.00 0.86 -0.13 0.11 -0.34 0.00 0.00 178.44 178.94 1xmf h LYS 333 N 0.94 0.99 -0.26 1.25 1.57 -1.82 -2.83 116.57 116.40 1xmf h LYS 333 Ca 0.21 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1xmf h LYS 333 Cb 0.28 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1xmf h LYS 333 CO -0.01 1.06 0.06 -0.44 -0.57 0.00 0.00 179.45 179.55 1xmf h ASP 334 N 0.85 0.40 -0.47 0.86 3.32 -1.79 -2.77 116.42 116.83 1xmf h ASP 334 Ca 0.13 -0.24 0.07 0.00 0.02 0.00 0.00 57.03 57.00 1xmf h ASP 334 Cb 0.70 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.09 1xmf h ASP 334 CO 0.05 0.54 0.15 0.00 -1.72 0.00 0.00 179.24 178.26 1xmf h ALA 335 N 0.88 0.56 -0.04 3.45 0.00 -1.14 -1.23 119.26 121.73 1xmf h ALA 335 Ca 0.08 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1xmf h ALA 335 Cb 0.30 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xmf h ALA 335 CO 0.00 -0.25 -0.23 -0.22 0.00 0.00 0.00 179.25 178.56 1xmf h LYS 336 N 0.31 0.07 0.19 0.00 3.64 -1.48 -2.59 116.57 116.71 1xmf h LYS 336 Ca 0.23 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1xmf h LYS 336 Cb 0.25 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1xmf h LYS 336 CO -0.24 0.30 -0.09 0.37 -2.27 0.00 0.00 179.45 177.52 1xmf h GLN 337 N 0.07 -0.25 -0.08 1.90 4.15 -0.97 -3.13 115.11 116.80 1xmf h GLN 337 Ca 0.01 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1xmf h GLN 337 Cb 0.45 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1xmf h GLN 337 CO 0.03 0.12 0.00 -0.25 -1.93 0.00 0.00 178.83 176.80 1xmf n ASP 338 N -5.03 0.08 -0.11 -0.69 8.00 -0.63 -4.21 116.55 113.96 1xmf n ASP 338 Ca -0.09 -1.81 -0.24 0.00 0.71 0.00 0.00 54.79 53.36 1xmf n ASP 338 Cb 0.25 -0.04 -0.11 0.00 -0.02 0.00 0.00 41.12 41.19 1xmf n ASP 338 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xmf n ALA 339 N -0.45 1.09 -0.26 2.24 0.00 -0.99 -4.08 120.51 118.06 1xmf n ALA 339 Ca 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 53.44 52.54 1xmf n ALA 339 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 19.45 19.24 1xmf n ALA 339 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1xmf n TYR 340 N -4.00 -0.13 1.06 0.00 9.36 -1.26 -1.05 117.16 121.14 1xmf n TYR 340 Ca -0.44 0.82 0.12 0.00 3.32 0.00 0.00 57.90 61.72 1xmf n TYR 340 Cb 0.88 -0.65 0.11 0.00 -0.63 0.00 0.00 39.34 39.05 1xmf n TYR 340 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 1xmf n TRP 341 N -4.90 0.00 -0.14 2.98 7.02 -1.26 -4.67 117.44 116.47 1xmf n TRP 341 Ca 0.04 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.48 1xmf n TRP 341 Cb 0.22 -0.01 0.02 0.00 -2.42 0.00 0.00 31.31 29.12 1xmf n TRP 341 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xmf h ALA 342 N 4.30 0.21 -0.40 6.99 0.00 -1.24 0.12 119.26 129.24 1xmf h ALA 342 Ca 0.00 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1xmf h ALA 342 Cb 0.83 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1xmf h ALA 342 CO 0.00 -0.50 -0.20 1.12 0.00 0.00 0.00 179.25 179.66 1xmf h HIS 343 N -0.06 0.88 -0.27 0.00 2.07 -1.75 -1.13 115.15 114.89 1xmf h HIS 343 Ca 0.22 -0.19 -0.03 0.00 -2.85 0.00 0.00 60.37 57.51 1xmf h HIS 343 Cb 0.40 -0.21 -0.01 0.00 2.57 0.00 0.00 27.41 30.15 1xmf h HIS 343 CO -0.43 0.91 0.04 0.45 -3.07 0.00 0.00 177.93 175.83 1xmf h HIS 344 N 0.69 0.48 -0.96 6.12 -0.00 -1.74 -2.23 115.15 117.51 1xmf h HIS 344 Ca 0.10 -0.07 0.07 0.00 -0.00 0.00 0.00 60.37 60.47 1xmf h HIS 344 Cb 0.71 -0.13 -0.07 0.00 -0.00 0.00 0.00 27.41 27.92 1xmf h HIS 344 CO 0.04 0.56 0.62 -0.44 -0.00 0.00 0.00 177.93 178.71 1xmf h ASP 345 N 0.26 0.96 -0.10 2.45 3.45 -0.58 -2.65 116.42 120.22 1xmf h ASP 345 Ca 0.08 0.01 -0.14 0.00 0.43 0.00 0.00 57.03 57.41 1xmf h ASP 345 Cb 0.35 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 1xmf h ASP 345 CO 0.01 0.60 -0.42 0.25 -1.57 0.00 0.00 179.24 178.10 1xmf h LEU 346 N 1.08 0.67 -1.01 1.55 5.85 -0.92 -3.17 115.31 119.36 1xmf h LEU 346 Ca 0.42 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1xmf h LEU 346 Cb 0.24 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1xmf h LEU 346 CO -0.17 1.01 0.38 0.22 -0.34 0.00 0.00 178.44 179.53 1xmf h TYR 347 N 0.51 1.07 -0.71 1.25 3.20 -1.03 0.31 116.97 121.57 1xmf h TYR 347 Ca 0.04 -0.04 0.11 0.00 3.14 0.00 0.00 58.73 61.98 1xmf h TYR 347 Cb 0.94 -0.34 -0.08 0.00 1.54 0.00 0.00 36.73 38.80 1xmf h TYR 347 CO 0.04 0.77 0.32 -0.07 -1.64 0.00 0.00 178.16 177.58 1xmf h LEU 348 N 1.07 0.37 -0.16 2.82 3.38 -1.51 0.15 115.31 121.43 1xmf h LEU 348 Ca 0.26 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 1xmf h LEU 348 Cb 0.09 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1xmf h LEU 348 CO -0.04 0.19 -0.04 -0.07 0.09 0.00 0.00 178.44 178.58 1xmf h LEU 349 N 0.52 0.32 -0.68 1.67 3.38 -1.31 -0.93 115.31 118.28 1xmf h LEU 349 Ca 0.37 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1xmf h LEU 349 Cb 0.46 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1xmf h LEU 349 CO -0.32 0.61 0.43 0.00 0.09 0.00 0.00 178.44 179.25 1xmf h ALA 350 N 0.72 0.87 -0.16 1.53 0.00 -0.32 -1.33 119.26 120.57 1xmf h ALA 350 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1xmf h ALA 350 Cb 0.47 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xmf h ALA 350 CO 0.02 0.23 -0.07 -0.92 0.00 0.00 0.00 179.25 178.50 1xmf h TYR 351 N 0.87 0.39 -0.54 0.00 3.20 -0.72 -2.24 116.97 117.92 1xmf h TYR 351 Ca 0.26 -0.09 0.11 0.00 3.14 0.00 0.00 58.73 62.15 1xmf h TYR 351 Cb -0.04 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 1xmf h TYR 351 CO -0.04 0.65 0.37 0.00 -1.64 0.00 0.00 178.16 177.50 1xmf h ALA 352 N 0.68 2.18 -0.67 1.82 0.00 -0.82 0.77 119.26 123.23 1xmf h ALA 352 Ca 0.04 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.54 1xmf h ALA 352 Cb 0.54 -0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.07 1xmf h ALA 352 CO 0.02 -0.31 0.16 1.28 0.00 0.00 0.00 179.25 180.40 1xmf n LEU 353 N -4.45 5.49 -0.09 0.00 4.77 -0.53 -2.80 117.00 119.39 1xmf n LEU 353 Ca 0.09 -3.97 0.22 0.00 -0.03 0.00 0.00 56.01 52.32 1xmf n LEU 353 Cb 0.44 -0.71 0.66 0.00 -2.33 0.00 0.00 43.42 41.48 1xmf n LEU 353 CO 0.35 1.37 1.21 4.11 -1.33 0.00 0.00 177.39 183.10 1xmf h TRP 354 N 1.33 0.11 0.00 -1.77 5.08 -0.22 -1.81 115.95 118.66 1xmf h TRP 354 Ca 0.41 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.38 1xmf h TRP 354 Cb 1.78 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 27.91 1xmf h TRP 354 CO 1.22 0.04 0.00 -2.30 -1.28 0.00 0.00 178.44 176.12 1xmf n PRO 355 N -4.37 0.14 -0.23 0.12 -0.02 -1.26 -1.98 135.00 127.39 1xmf n PRO 355 Ca 0.13 0.49 0.08 0.00 -2.02 0.00 0.00 63.50 62.18 1xmf n PRO 355 Cb 0.70 -1.84 0.22 0.00 -0.02 0.00 0.00 33.50 32.56 1xmf n PRO 355 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1xmf n THR 356 N -2.12 0.62 -2.89 3.45 -2.24 -0.68 -4.83 114.28 105.59 1xmf n THR 356 Ca 0.01 -0.63 -0.02 0.00 -2.27 0.00 0.00 64.05 61.14 1xmf n THR 356 Cb 0.14 0.34 0.01 0.00 -2.10 0.00 0.00 70.33 68.71 1xmf n THR 356 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xmf n GLY 357 N 1.26 1.74 1.95 3.38 0.00 -0.84 -0.45 105.19 112.23 1xmf n GLY 357 Ca 0.16 -2.11 0.01 0.00 0.00 0.00 0.00 46.02 44.08 1xmf n GLY 357 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1xmf n PHE 358 N -1.22 0.60 -3.47 1.61 1.16 -1.26 -4.24 117.46 110.63 1xmf n PHE 358 Ca 0.02 -1.25 -0.15 0.00 -1.87 0.00 0.00 57.45 54.20 1xmf n PHE 358 Cb 0.07 -0.20 -0.04 0.00 -1.61 0.00 0.00 39.48 37.71 1xmf n PHE 358 CO 0.00 0.00 0.00 -0.59 -1.87 0.00 0.00 176.76 174.30 1xmf s PHE 359 N -1.79 -0.59 -0.05 2.97 -0.12 -1.26 -4.26 117.98 112.87 1xmf s PHE 359 Ca 0.33 0.71 -0.14 0.00 -0.05 0.00 0.00 56.93 57.78 1xmf s PHE 359 Cb 0.36 0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 43.19 1xmf s PHE 359 CO -0.11 -0.73 0.36 1.03 -0.05 0.00 0.00 175.22 175.72 1xmf s ARG 360 N -2.52 3.91 0.08 1.99 0.52 -1.26 -3.70 118.95 117.96 1xmf s ARG 360 Ca -0.05 0.29 0.06 0.00 -0.52 0.00 0.00 55.73 55.52 1xmf s ARG 360 Cb -0.01 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 1xmf s ARG 360 CO -0.02 0.62 -0.10 -0.51 0.02 0.00 0.00 175.30 175.31 1xmf s LEU 361 N -0.78 3.03 0.10 2.53 1.43 -0.13 -4.81 118.68 120.04 1xmf s LEU 361 Ca 0.22 -0.35 0.08 0.00 -1.03 0.00 0.00 54.13 53.05 1xmf s LEU 361 Cb -0.15 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1xmf s LEU 361 CO 0.11 0.20 -0.21 0.00 0.23 0.00 0.00 176.35 176.67 1xmf s ALA 362 N -1.16 1.84 0.26 4.21 0.00 -1.26 -0.71 121.76 124.94 1xmf s ALA 362 Ca 0.20 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 50.80 1xmf s ALA 362 Cb -0.11 -0.27 -0.08 0.00 0.00 0.00 0.00 23.12 22.67 1xmf s ALA 362 CO 0.12 0.38 0.62 -0.51 0.00 0.00 0.00 175.76 176.37 1xmf s LEU 363 N -1.84 4.14 0.16 0.00 1.43 -1.26 -5.00 118.68 116.31 1xmf s LEU 363 Ca 0.07 1.08 -0.34 0.00 -1.03 0.00 0.00 54.13 53.91 1xmf s LEU 363 Cb -0.10 -3.80 -0.14 0.00 0.03 0.00 0.00 46.19 42.18 1xmf s LEU 363 CO 0.04 -0.11 1.55 -2.65 0.23 0.00 0.00 176.35 175.41 1xmf n PRO 364 N -0.15 2.06 -2.23 1.29 -0.02 -1.26 -5.00 135.00 129.70 1xmf n PRO 364 Ca 0.01 0.74 -0.27 0.00 -2.02 0.00 0.00 63.50 61.96 1xmf n PRO 364 Cb 0.53 -2.49 0.15 0.00 -0.02 0.00 0.00 33.50 31.66 1xmf n PRO 364 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1xmf s ASP 365 N 0.84 3.67 0.15 2.55 3.84 -1.26 -4.77 116.67 121.70 1xmf s ASP 365 Ca 0.79 -0.02 -0.21 0.00 -0.00 0.00 0.00 52.55 53.11 1xmf s ASP 365 Cb -0.70 -0.18 0.03 0.00 -1.38 0.00 0.00 42.92 40.69 1xmf s ASP 365 CO 0.39 -2.34 1.64 1.56 -0.00 0.00 0.00 175.17 176.42 1xmf h GLN 366 N -1.14 -0.18 -0.81 2.11 4.20 -2.00 -0.52 115.11 116.77 1xmf h GLN 366 Ca -0.41 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1xmf h GLN 366 Cb 1.25 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 29.03 1xmf h GLN 366 CO 0.39 -0.12 0.52 0.93 -0.67 0.00 0.00 178.83 179.88 1xmf h GLU 367 N -0.19 1.08 -0.38 1.46 5.08 -1.99 -1.99 114.58 117.65 1xmf h GLU 367 Ca 0.14 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1xmf h GLU 367 Cb 0.40 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1xmf h GLU 367 CO -0.36 0.73 0.09 0.93 -1.00 0.00 0.00 179.01 179.40 1xmf h GLU 368 N 1.11 0.60 -0.81 2.33 5.08 -1.69 0.91 114.58 122.11 1xmf h GLU 368 Ca 0.29 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1xmf h GLU 368 Cb -0.10 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 1xmf h GLU 368 CO -0.06 0.63 0.35 0.52 -1.00 0.00 0.00 179.01 179.45 1xmf h MET 369 N 0.46 1.19 -0.59 2.33 2.86 -0.82 0.55 114.93 120.92 1xmf h MET 369 Ca 0.12 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1xmf h MET 369 Cb 0.30 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1xmf h MET 369 CO 0.00 0.95 0.32 0.93 1.06 0.00 0.00 176.91 180.17 1xmf h GLU 370 N 1.17 0.82 -0.18 1.72 5.08 -1.09 0.22 114.58 122.31 1xmf h GLU 370 Ca 0.27 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1xmf h GLU 370 Cb 0.18 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1xmf h GLU 370 CO -0.03 0.63 0.11 2.35 -1.00 0.00 0.00 179.01 181.08 1xmf h TRP 371 N 0.80 0.23 -0.53 4.33 7.01 0.29 0.24 115.95 128.32 1xmf h TRP 371 Ca 0.21 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.21 1xmf h TRP 371 Cb 0.05 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.01 1xmf h TRP 371 CO -0.01 0.17 0.31 0.74 -2.79 0.00 0.00 178.44 176.86 1xmf h PHE 372 N 0.23 0.70 -0.16 2.65 -1.00 0.54 -0.09 116.94 119.80 1xmf h PHE 372 Ca 0.07 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.82 1xmf h PHE 372 Cb -0.00 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.32 1xmf h PHE 372 CO -0.06 0.49 0.01 1.49 -1.61 0.00 0.00 178.31 178.62 1xmf h GLU 373 N 0.71 0.28 -0.70 1.51 4.57 -0.34 0.84 114.58 121.45 1xmf h GLU 373 Ca 0.19 -0.09 0.11 0.00 -1.18 0.00 0.00 59.36 58.39 1xmf h GLU 373 Cb -0.01 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.48 1xmf h GLU 373 CO -0.03 0.49 0.30 0.00 -1.18 0.00 0.00 179.01 178.58 1xmf h ALA 374 N 0.78 0.95 0.00 2.92 0.00 -0.30 -2.63 119.26 120.98 1xmf h ALA 374 Ca 0.05 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1xmf h ALA 374 Cb 0.36 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1xmf h ALA 374 CO 0.01 -0.15 -0.86 -0.91 0.00 0.00 0.00 179.25 177.34 1xmf h ASN 375 N 0.49 0.00 -2.29 0.00 2.35 -0.78 -3.41 115.58 111.94 1xmf h ASN 375 Ca 0.36 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.53 1xmf h ASN 375 Cb 0.46 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.44 1xmf h ASN 375 CO -0.33 0.29 -0.95 -1.22 -1.65 0.00 0.00 177.43 173.57 1xmf n TYR 376 N -2.93 0.11 -1.59 1.19 4.02 0.29 -5.04 117.16 113.20 1xmf n TYR 376 Ca -0.02 -3.58 -0.57 0.00 -0.01 0.00 0.00 57.90 53.72 1xmf n TYR 376 Cb 0.68 -0.12 -0.07 0.00 -0.02 0.00 0.00 39.34 39.80 1xmf n TYR 376 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1xmf n PRO 377 N 2.05 0.59 0.00 -0.72 -0.02 -1.02 -0.41 135.00 135.47 1xmf n PRO 377 Ca 0.26 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1xmf n PRO 377 Cb 0.48 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1xmf n PRO 377 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xmf n GLY 378 N 2.54 3.07 0.26 -1.23 0.00 -1.26 -4.96 105.19 103.61 1xmf n GLY 378 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.27 1xmf n GLY 378 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1xmf h TRP 379 N 0.00 0.15 0.06 1.61 7.01 -1.03 -2.82 115.95 120.92 1xmf h TRP 379 Ca 0.00 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 1xmf h TRP 379 Cb 0.00 0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.10 1xmf h TRP 379 CO 0.00 -0.12 -0.03 -0.92 -2.79 0.00 0.00 178.44 174.58 1xmf h TYR 380 N 0.21 -0.07 -0.21 2.65 5.03 -1.90 -0.73 116.97 121.94 1xmf h TYR 380 Ca 0.38 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.75 1xmf h TYR 380 Cb 0.64 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.94 1xmf h TYR 380 CO -0.31 0.13 0.26 -0.44 -1.32 0.00 0.00 178.16 176.49 1xmf h ASP 381 N -0.27 0.00 0.00 -2.11 3.32 -1.90 0.15 116.42 115.60 1xmf h ASP 381 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1xmf h ASP 381 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1xmf h ASP 381 CO 0.01 0.00 0.00 1.57 -1.72 0.00 0.00 179.24 179.10 1xmf n HIS 382 N -3.65 0.00 -0.07 4.55 -0.00 -1.12 -4.60 115.22 110.34 1xmf n HIS 382 Ca 0.02 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.11 1xmf n HIS 382 Cb 0.39 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.23 1xmf n HIS 382 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 1xmf h TYR 383 N 0.00 0.32 -0.15 1.57 -1.99 -1.27 -2.92 116.97 112.52 1xmf h TYR 383 Ca 0.00 0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.79 1xmf h TYR 383 Cb 0.00 -0.11 -0.07 0.00 2.00 0.00 0.00 36.73 38.56 1xmf h TYR 383 CO 0.00 0.21 -0.32 0.78 -0.00 0.00 0.00 178.16 178.83 1xmf h GLY 384 N 0.34 -0.43 0.68 3.88 0.00 -0.77 -1.58 103.07 105.19 1xmf h GLY 384 Ca 0.09 0.40 0.06 0.00 0.00 0.00 0.00 47.33 47.88 1xmf h GLY 384 CO -0.02 -0.22 0.46 0.50 0.00 0.00 0.00 176.54 177.27 1xmf h LYS 385 N -0.38 0.82 -0.60 4.80 1.57 -0.73 -1.99 116.57 120.05 1xmf h LYS 385 Ca 0.10 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1xmf h LYS 385 Cb 0.54 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1xmf h LYS 385 CO -0.37 0.54 0.37 0.82 -0.57 0.00 0.00 179.45 180.24 1xmf h ILE 386 N 0.84 1.18 -0.48 1.86 2.04 -1.22 -0.82 117.51 120.91 1xmf h ILE 386 Ca 0.35 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 1xmf h ILE 386 Cb 0.20 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1xmf h ILE 386 CO -0.18 0.18 0.03 1.88 0.00 0.00 0.00 178.15 180.06 1xmf h TYR 387 N 0.82 0.82 -0.19 1.37 0.99 -0.92 -0.61 116.97 119.25 1xmf h TYR 387 Ca 0.22 -0.10 -0.13 0.00 2.00 0.00 0.00 58.73 60.72 1xmf h TYR 387 Cb -0.03 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 37.46 1xmf h TYR 387 CO -0.02 0.75 -0.43 0.93 -0.00 0.00 0.00 178.16 179.39 1xmf h GLU 388 N 0.74 0.45 0.08 4.88 5.08 -1.00 -0.42 114.58 124.40 1xmf h GLU 388 Ca 0.15 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1xmf h GLU 388 Cb 0.40 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1xmf h GLU 388 CO 0.01 0.80 -0.04 1.49 -1.00 0.00 0.00 179.01 180.28 1xmf h GLU 389 N 0.37 -0.10 -0.91 2.33 4.81 -0.56 -0.84 114.58 119.69 1xmf h GLU 389 Ca 0.03 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1xmf h GLU 389 Cb 0.91 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 1xmf h GLU 389 CO 0.08 0.10 0.53 -1.49 -0.73 0.00 0.00 179.01 177.49 1xmf h TRP 390 N -0.29 1.22 -0.25 0.92 6.55 -1.02 -1.88 115.95 121.20 1xmf h TRP 390 Ca -0.01 -0.01 -0.04 0.00 0.95 0.00 0.00 58.89 59.78 1xmf h TRP 390 Cb 0.25 -0.40 -0.01 0.00 -0.86 0.00 0.00 29.16 28.14 1xmf h TRP 390 CO -0.01 0.82 0.02 -0.09 -1.05 0.00 0.00 178.44 178.12 1xmf h ARG 391 N 1.26 0.43 -0.07 0.49 2.43 -0.94 -1.27 114.38 116.70 1xmf h ARG 391 Ca 0.32 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1xmf h ARG 391 Cb -0.02 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1xmf h ARG 391 CO -0.06 0.59 -0.06 0.00 -1.51 0.00 0.00 179.97 178.93 1xmf h ALA 392 N 0.83 1.77 -0.00 2.80 0.00 -0.90 -0.33 119.26 123.42 1xmf h ALA 392 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xmf h ALA 392 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xmf h ALA 392 CO 0.01 0.18 -0.01 -2.13 0.00 0.00 0.00 179.25 177.30 1xmf n ARG 393 N -4.41 1.00 -1.64 0.00 0.63 -0.73 -4.93 116.66 106.59 1xmf n ARG 393 Ca -0.02 -0.14 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 1xmf n ARG 393 Cb 0.18 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.59 1xmf n ARG 393 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xmf n GLY 394 N 1.08 0.79 0.27 5.14 0.00 -0.13 -4.86 105.19 107.47 1xmf n GLY 394 Ca 0.22 -0.65 0.18 0.00 0.00 0.00 0.00 46.02 45.76 1xmf n GLY 394 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmf n GLU 396 N -2.81 0.30 -3.35 0.00 1.02 -1.26 -4.83 120.64 109.71 1xmf n GLU 396 Ca -0.02 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.75 1xmf n GLU 396 Cb 0.11 -1.60 -0.07 0.00 -0.02 0.00 0.00 31.44 29.86 1xmf n GLU 396 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1xmf s ASP 397 N -3.98 6.51 0.25 1.62 -1.08 -0.25 -4.88 116.67 114.86 1xmf s ASP 397 Ca 0.04 0.61 0.22 0.00 -0.52 0.00 0.00 52.55 52.90 1xmf s ASP 397 Cb 0.14 -2.25 0.97 0.00 -1.46 0.00 0.00 42.92 40.32 1xmf s ASP 397 CO 0.80 -0.07 1.67 -2.65 0.52 0.00 0.00 175.17 175.43 1xmf n PRO 398 N 4.31 0.17 -0.34 4.34 -0.02 -1.26 -2.59 135.00 139.60 1xmf n PRO 398 Ca -0.08 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 61.97 1xmf n PRO 398 Cb 0.51 -1.86 0.30 0.00 -0.02 0.00 0.00 33.50 32.43 1xmf n PRO 398 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1xmf n SER 399 N -2.17 3.62 0.03 2.55 3.41 -1.26 -4.12 113.62 115.67 1xmf n SER 399 Ca 0.01 -2.00 -0.02 0.00 -0.26 0.00 0.00 58.87 56.61 1xmf n SER 399 Cb 0.18 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 63.59 1xmf n SER 399 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1xmf h SER 400 N 3.98 0.00 -0.96 4.04 4.64 -1.75 -3.48 113.55 120.02 1xmf h SER 400 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1xmf h SER 400 Cb 0.91 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 1xmf h SER 400 CO 0.00 0.65 -0.20 0.61 -0.87 0.00 0.00 176.83 177.02 1xmf n GLY 401 N 1.42 0.38 3.01 -0.77 0.00 -1.26 -5.02 105.19 102.94 1xmf n GLY 401 Ca -0.10 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 1xmf n GLY 401 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xmf s PHE 402 N -2.40 1.33 -0.05 1.61 5.36 -1.26 -4.92 117.98 117.65 1xmf s PHE 402 Ca 0.00 -0.47 0.02 0.00 -0.96 0.00 0.00 56.93 55.52 1xmf s PHE 402 Cb 0.00 -0.99 0.01 0.00 -0.34 0.00 0.00 43.02 41.70 1xmf s PHE 402 CO 0.00 -0.25 -0.10 0.96 -1.46 0.00 0.00 175.22 174.37 1xmf s ILE 403 N 0.65 0.93 0.63 3.12 -4.36 -1.26 -4.44 121.20 116.46 1xmf s ILE 403 Ca -0.13 -0.38 0.17 0.00 -0.26 0.00 0.00 60.65 60.05 1xmf s ILE 403 Cb -0.15 -0.86 0.24 0.00 1.25 0.00 0.00 42.46 42.94 1xmf s ILE 403 CO 0.03 0.30 1.26 -0.65 0.24 0.00 0.00 174.94 176.12 1xmf h PRO 404 N 6.85 0.00 -0.81 0.37 0.11 -1.88 1.00 132.00 137.64 1xmf h PRO 404 Ca -0.33 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.86 1xmf h PRO 404 Cb 1.17 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 1xmf h PRO 404 CO 0.48 0.00 0.53 1.25 -0.21 0.00 0.00 178.00 180.05 1xmf h LEU 405 N 0.00 0.74 -0.70 2.35 5.85 -1.87 -0.24 115.31 121.43 1xmf h LEU 405 Ca 0.27 0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.01 1xmf h LEU 405 Cb 2.37 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 43.22 1xmf h LEU 405 CO -0.00 0.46 0.46 0.24 -0.34 0.00 0.00 178.44 179.26 1xmf h MET 406 N 0.83 0.91 -0.61 1.25 2.86 -1.13 -2.14 114.93 116.90 1xmf h MET 406 Ca 0.36 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.99 1xmf h MET 406 Cb 0.33 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 1xmf h MET 406 CO -0.14 0.60 0.40 2.35 1.06 0.00 0.00 176.91 181.19 1xmf h TRP 407 N 0.94 0.65 -0.25 -0.22 7.01 -1.19 0.25 115.95 123.13 1xmf h TRP 407 Ca 0.26 0.02 -0.18 0.00 2.11 0.00 0.00 58.89 61.10 1xmf h TRP 407 Cb -0.08 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 26.76 1xmf h TRP 407 CO -0.03 0.37 -0.54 0.74 -2.79 0.00 0.00 178.44 176.19 1xmf h PHE 408 N 0.66 1.03 -0.19 2.65 -1.00 -1.10 -1.75 116.94 117.25 1xmf h PHE 408 Ca 0.25 -0.38 -0.04 0.00 2.81 0.00 0.00 57.97 60.62 1xmf h PHE 408 Cb 0.16 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 1xmf h PHE 408 CO -0.00 1.20 -0.02 0.82 -1.61 0.00 0.00 178.31 178.69 1xmf h ILE 409 N 0.57 1.27 -0.54 -0.55 2.04 -0.79 0.85 117.51 120.37 1xmf h ILE 409 Ca 0.01 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 1xmf h ILE 409 Cb 1.15 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 1xmf h ILE 409 CO 0.12 0.28 0.30 -0.33 0.00 0.00 0.00 178.15 178.52 1xmf h GLU 410 N 0.08 0.74 -0.59 2.37 5.08 -0.56 -2.37 114.58 119.33 1xmf h GLU 410 Ca 0.05 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1xmf h GLU 410 Cb 0.44 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1xmf h GLU 410 CO 0.01 0.54 0.01 0.09 -1.00 0.00 0.00 179.01 178.66 1xmf n ASN 411 N -4.40 5.70 -3.97 1.42 5.03 -0.66 -4.97 115.26 113.41 1xmf n ASN 411 Ca 0.05 -2.93 -0.34 0.00 0.87 0.00 0.00 54.58 52.22 1xmf n ASN 411 Cb 0.10 -0.69 -0.00 0.00 -1.02 0.00 0.00 39.78 38.16 1xmf n ASN 411 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1xmf n ASN 412 N 0.60 -2.59 -3.94 6.41 5.15 -0.73 -4.95 115.26 115.21 1xmf n ASN 412 Ca 0.28 -1.14 -0.30 0.00 -0.60 0.00 0.00 54.58 52.83 1xmf n ASN 412 Cb 1.20 -2.53 -0.14 0.00 -0.53 0.00 0.00 39.78 37.78 1xmf n ASN 412 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1xmf s HIS 413 N -3.77 3.21 0.40 1.20 3.76 0.22 -4.97 115.29 115.33 1xmf s HIS 413 Ca 0.27 -3.19 -0.27 0.00 -0.15 0.00 0.00 55.06 51.73 1xmf s HIS 413 Cb -0.12 -2.78 -0.09 0.00 1.11 0.00 0.00 32.58 30.70 1xmf s HIS 413 CO 0.92 -0.71 1.36 -2.14 -0.85 0.00 0.00 174.74 173.32 1xmf s PRO 414 N -0.47 4.00 -0.27 8.40 0.02 -1.26 -4.61 135.00 140.80 1xmf s PRO 414 Ca 0.18 2.28 -0.05 0.00 0.02 0.00 0.00 61.00 63.44 1xmf s PRO 414 Cb -0.22 -2.82 0.01 0.00 0.02 0.00 0.00 34.50 31.48 1xmf s PRO 414 CO -0.03 -0.51 0.02 0.42 -0.33 0.00 0.00 177.00 176.57 1xmf s ILE 415 N -1.21 3.57 0.38 2.83 1.01 -1.26 -4.47 121.20 122.05 1xmf s ILE 415 Ca 0.56 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 60.56 1xmf s ILE 415 Cb -0.41 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 1xmf s ILE 415 CO 0.53 0.19 0.31 -0.31 0.00 0.00 0.00 174.94 175.67 1xmf s TYR 416 N 1.45 2.76 -0.11 3.97 1.51 -0.52 -4.80 117.35 121.62 1xmf s TYR 416 Ca 0.03 -0.43 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 1xmf s TYR 416 Cb -0.16 -1.99 0.01 0.00 -0.11 0.00 0.00 41.96 39.70 1xmf s TYR 416 CO -0.00 0.04 -0.20 0.42 -1.11 0.00 0.00 175.55 174.69 1xmf s ILE 417 N -2.43 1.80 -0.16 2.71 -1.09 -1.26 -1.21 121.20 119.56 1xmf s ILE 417 Ca 0.44 -0.85 -0.29 0.00 -2.23 0.00 0.00 60.65 57.73 1xmf s ILE 417 Cb -0.03 -1.59 -0.04 0.00 -1.58 0.00 0.00 42.46 39.22 1xmf s ILE 417 CO 0.27 0.50 1.61 -0.62 -1.23 0.00 0.00 174.94 175.47 1xmf s ASP 418 N 0.65 6.50 0.61 3.58 2.15 -0.85 -4.65 116.67 124.67 1xmf s ASP 418 Ca -0.13 1.84 0.28 0.00 0.43 0.00 0.00 52.55 54.98 1xmf s ASP 418 Cb -0.16 -2.53 1.48 0.00 -0.30 0.00 0.00 42.92 41.40 1xmf s ASP 418 CO 0.03 -1.12 1.87 -0.09 -0.17 0.00 0.00 175.17 175.70 1xmf h ARG 419 N 10.21 0.00 0.00 4.34 9.65 -1.73 0.38 114.38 137.23 1xmf h ARG 419 Ca -0.35 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.53 1xmf h ARG 419 Cb 1.16 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 1xmf h ARG 419 CO 0.98 0.00 -0.13 0.28 2.80 0.00 0.00 179.97 183.90 1xmf n VAL 420 N -3.45 0.32 0.73 0.20 0.31 -1.26 -4.61 118.33 110.57 1xmf n VAL 420 Ca 0.05 0.43 0.13 0.00 -0.01 0.00 0.00 64.34 64.95 1xmf n VAL 420 Cb 0.61 -1.70 0.47 0.00 -0.91 0.00 0.00 33.84 32.31 1xmf n VAL 420 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1xmf n SER 421 N -2.80 0.54 -0.04 4.52 3.41 -1.21 -4.91 113.62 113.13 1xmf n SER 421 Ca -0.02 0.56 -0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1xmf n SER 421 Cb 0.07 -0.70 -0.00 0.00 -0.26 0.00 0.00 64.21 63.32 1xmf n SER 421 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xmf n GLN 422 N -2.01 -1.18 -2.73 4.33 1.13 0.13 -4.23 117.38 112.83 1xmf n GLN 422 Ca 0.06 0.32 -0.41 0.00 -1.94 0.00 0.00 57.00 55.03 1xmf n GLN 422 Cb 0.39 -4.22 -0.04 0.00 0.11 0.00 0.00 30.24 26.47 1xmf n GLN 422 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1xmf s VAL 423 N -1.45 4.48 0.31 5.09 1.01 -1.26 -4.34 120.40 124.25 1xmf s VAL 423 Ca 0.00 2.07 -0.27 0.00 0.00 0.00 0.00 61.98 63.78 1xmf s VAL 423 Cb 0.00 -4.32 -0.09 0.00 0.00 0.00 0.00 36.38 31.96 1xmf s VAL 423 CO 0.00 0.32 1.02 -2.84 0.00 0.00 0.00 175.10 173.60 1xmf s PRO 424 N -0.04 4.55 -0.03 2.72 0.02 -1.26 -2.00 135.00 138.96 1xmf s PRO 424 Ca 0.47 1.55 -0.12 0.00 0.02 0.00 0.00 61.00 62.92 1xmf s PRO 424 Cb -0.23 -2.94 0.02 0.00 0.02 0.00 0.00 34.50 31.36 1xmf s PRO 424 CO 0.30 0.20 0.26 -0.59 -0.33 0.00 0.00 177.00 176.83 1xmf s PHE 425 N -1.41 -0.15 -0.40 6.54 -0.71 -0.35 -4.93 117.98 116.58 1xmf s PHE 425 Ca 0.49 0.26 0.01 0.00 -1.04 0.00 0.00 56.93 56.65 1xmf s PHE 425 Cb -0.25 0.06 0.13 0.00 -1.21 0.00 0.00 43.02 41.75 1xmf s PHE 425 CO 0.31 -0.31 0.20 0.00 -1.34 0.00 0.00 175.22 174.08 1xmf h PRO 427 N 7.10 0.98 0.00 0.00 0.11 -1.84 -0.06 132.00 138.29 1xmf h PRO 427 Ca -0.04 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1xmf h PRO 427 Cb 0.95 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1xmf h PRO 427 CO 0.48 0.65 0.00 -1.13 -0.21 0.00 0.00 178.00 177.79 1xmf n SER 428 N -4.61 0.00 0.00 -2.05 3.41 -1.26 -3.69 113.62 105.42 1xmf n SER 428 Ca 0.18 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1xmf n SER 428 Cb 0.31 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1xmf n SER 428 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1xmf n LEU 429 N -1.29 0.00 -4.70 1.04 7.94 -0.98 -5.02 117.00 113.99 1xmf n LEU 429 Ca 0.11 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.58 1xmf n LEU 429 Cb 0.19 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.13 1xmf n LEU 429 CO 0.18 0.00 0.98 0.00 -1.11 0.00 0.00 177.39 177.43 1xmf n ALA 430 N -1.22 1.46 0.48 1.96 0.00 -0.07 -4.90 120.51 118.22 1xmf n ALA 430 Ca 0.00 0.37 0.11 0.00 0.00 0.00 0.00 53.44 53.92 1xmf n ALA 430 Cb 0.09 -2.29 -0.01 0.00 0.00 0.00 0.00 19.45 17.24 1xmf n ALA 430 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xmf n LYS 431 N 1.03 0.34 0.00 0.00 4.81 -1.26 -4.86 118.16 118.23 1xmf n LYS 431 Ca 0.06 -0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1xmf n LYS 431 Cb 0.35 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.80 1xmf n LYS 431 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xmf n GLY 432 N 1.35 1.13 3.77 3.14 0.00 -1.26 -4.92 105.19 108.40 1xmf n GLY 432 Ca 0.01 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 1xmf n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmf s ALA 433 N -3.24 3.33 0.00 4.61 0.00 -1.26 -4.90 121.76 120.30 1xmf s ALA 433 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1xmf s ALA 433 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1xmf s ALA 433 CO 0.00 -1.20 0.33 -1.13 0.00 0.00 0.00 175.76 173.76 1xmf n SER 434 N -0.05 0.48 -4.77 0.00 3.41 -1.26 -4.77 113.62 106.66 1xmf n SER 434 Ca 0.04 -1.11 -0.39 0.00 -0.26 0.00 0.00 58.87 57.16 1xmf n SER 434 Cb 0.41 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.34 1xmf n SER 434 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1xmf s THR 435 N -0.11 2.91 -0.08 6.66 -1.32 -1.26 -4.69 115.64 117.75 1xmf s THR 435 Ca 0.00 0.80 -0.06 0.00 -1.21 0.00 0.00 61.69 61.22 1xmf s THR 435 Cb 0.00 -3.47 0.03 0.00 -1.51 0.00 0.00 72.50 67.55 1xmf s THR 435 CO 0.00 0.10 0.21 -0.22 -2.21 0.00 0.00 174.62 172.50 1xmf s LEU 436 N -2.39 1.00 -0.07 9.08 2.96 -1.26 -4.63 118.68 123.37 1xmf s LEU 436 Ca 0.56 0.42 0.00 0.00 -0.22 0.00 0.00 54.13 54.90 1xmf s LEU 436 Cb -0.34 0.67 0.02 0.00 0.50 0.00 0.00 46.19 47.04 1xmf s LEU 436 CO 0.44 -0.10 -0.06 -0.13 -1.32 0.00 0.00 176.35 175.18 1xmf s ARG 437 N 0.47 1.14 -0.08 1.98 3.00 -0.85 -5.00 118.95 119.61 1xmf s ARG 437 Ca -0.03 -0.16 0.05 0.00 0.00 0.00 0.00 55.73 55.58 1xmf s ARG 437 Cb -0.04 -1.17 -0.00 0.00 0.00 0.00 0.00 34.95 33.74 1xmf s ARG 437 CO -0.02 -0.15 -0.23 0.08 0.00 0.00 0.00 175.30 174.98 1xmf s VAL 438 N 1.27 1.95 0.20 3.52 1.01 -1.26 -1.11 120.40 125.99 1xmf s VAL 438 Ca -0.05 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.00 1xmf s VAL 438 Cb -0.14 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 1xmf s VAL 438 CO -0.02 0.54 -0.05 -1.00 0.00 0.00 0.00 175.10 174.57 1xmf s HIS 439 N 0.19 1.47 -0.06 5.22 3.76 -0.74 -4.98 115.29 120.14 1xmf s HIS 439 Ca -0.13 -0.84 0.03 0.00 -0.15 0.00 0.00 55.06 53.96 1xmf s HIS 439 Cb -0.16 -0.81 0.01 0.00 1.11 0.00 0.00 32.58 32.73 1xmf s HIS 439 CO 0.07 0.03 -0.13 -2.00 -0.85 0.00 0.00 174.74 171.85 1xmf s GLU 440 N -3.81 1.77 -0.07 1.40 2.12 -1.26 -0.96 118.70 117.89 1xmf s GLU 440 Ca 0.24 -0.46 -0.03 0.00 0.36 0.00 0.00 54.97 55.08 1xmf s GLU 440 Cb 0.04 -1.46 0.04 0.00 0.26 0.00 0.00 34.13 33.02 1xmf s GLU 440 CO 0.06 0.06 0.14 -0.47 -0.54 0.00 0.00 175.26 174.50 1xmf s TYR 441 N 0.56 -0.13 -1.43 5.30 6.14 -0.17 -4.91 117.35 122.71 1xmf s TYR 441 Ca -0.13 0.51 -0.05 0.00 0.64 0.00 0.00 57.07 58.03 1xmf s TYR 441 Cb -0.15 -0.27 0.00 0.00 0.42 0.00 0.00 41.96 41.97 1xmf s TYR 441 CO 0.04 -0.23 0.28 -1.71 0.64 0.00 0.00 175.55 174.57 1xmf n ASN 442 N 5.08 -0.48 0.00 4.32 5.15 -1.26 -1.54 115.26 126.53 1xmf n ASN 442 Ca -0.09 -1.16 0.00 0.00 -0.60 0.00 0.00 54.58 52.73 1xmf n ASN 442 Cb 0.50 -2.26 0.00 0.00 -0.53 0.00 0.00 39.78 37.49 1xmf n ASN 442 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xmf n GLY 443 N -2.25 1.47 3.27 8.20 0.00 -1.26 -5.03 105.19 109.59 1xmf n GLY 443 Ca -0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1xmf n GLY 443 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xmf s GLU 444 N -0.16 2.09 0.23 1.61 2.56 -0.59 -5.13 118.70 119.32 1xmf s GLU 444 Ca 0.00 -0.86 -0.12 0.00 0.00 0.00 0.00 54.97 53.99 1xmf s GLU 444 Cb 0.00 -1.94 -0.08 0.00 2.00 0.00 0.00 34.13 34.12 1xmf s GLU 444 CO 0.00 0.47 0.60 -1.64 -0.56 0.00 0.00 175.26 174.13 1xmf s MET 445 N -0.44 3.90 -0.03 4.30 -1.94 -1.26 -1.00 119.30 122.83 1xmf s MET 445 Ca 0.06 0.42 0.00 0.00 -1.71 0.00 0.00 55.69 54.46 1xmf s MET 445 Cb -0.10 -2.67 0.03 0.00 2.01 0.00 0.00 34.83 34.10 1xmf s MET 445 CO 0.00 0.32 0.01 -1.01 -0.01 0.00 0.00 175.02 174.33 1xmf s HIS 446 N -1.77 0.26 -0.12 -0.03 3.76 -0.13 -4.98 115.29 112.28 1xmf s HIS 446 Ca 0.47 0.02 -0.02 0.00 -0.15 0.00 0.00 55.06 55.38 1xmf s HIS 446 Cb -0.12 -0.38 -0.03 0.00 1.11 0.00 0.00 32.58 33.17 1xmf s HIS 446 CO 0.20 -0.12 -0.05 0.95 -0.85 0.00 0.00 174.74 174.86 1xmf s THR 447 N 1.02 3.78 0.11 1.30 -4.23 -1.26 -1.79 115.64 114.57 1xmf s THR 447 Ca -0.10 -0.42 0.07 0.00 -1.18 0.00 0.00 61.69 60.06 1xmf s THR 447 Cb -0.13 -2.61 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 1xmf s THR 447 CO -0.02 0.54 -0.18 -0.36 -0.54 0.00 0.00 174.62 174.06 1xmf s PHE 448 N -0.08 1.59 -0.83 3.99 0.40 -0.26 -1.83 117.98 120.97 1xmf s PHE 448 Ca 0.01 -0.46 0.10 0.00 -0.60 0.00 0.00 56.93 55.99 1xmf s PHE 448 Cb -0.13 -0.86 -0.03 0.00 0.51 0.00 0.00 43.02 42.50 1xmf s PHE 448 CO 0.03 0.18 0.59 -1.13 0.70 0.00 0.00 175.22 175.58 1xmf n SER 449 N 0.94 1.02 -3.57 1.36 3.41 -1.26 -2.00 113.62 113.53 1xmf n SER 449 Ca -0.18 -1.01 -0.11 0.00 -0.26 0.00 0.00 58.87 57.31 1xmf n SER 449 Cb 0.55 0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 65.09 1xmf n SER 449 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1xmf s ASP 450 N -1.57 -0.42 0.58 4.04 -4.77 -1.26 -4.65 116.67 108.63 1xmf s ASP 450 Ca 0.07 -0.22 0.37 0.00 -3.30 0.00 0.00 52.55 49.47 1xmf s ASP 450 Cb 0.08 0.59 1.69 0.00 -1.09 0.00 0.00 42.92 44.20 1xmf s ASP 450 CO 0.31 -1.02 2.11 0.06 0.70 0.00 0.00 175.17 177.33 1xmf h GLN 451 N 2.09 0.00 0.07 2.11 3.07 -1.98 -2.39 115.11 118.08 1xmf h GLN 451 Ca -0.31 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.30 1xmf h GLN 451 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.85 1xmf h GLN 451 CO 0.37 0.01 -0.61 -1.49 0.09 0.00 0.00 178.83 177.21 1xmf h TRP 452 N 0.00 0.27 -0.49 0.06 4.06 -1.99 -2.82 115.95 115.03 1xmf h TRP 452 Ca -0.00 -0.19 -0.06 0.00 2.06 0.00 0.00 58.89 60.69 1xmf h TRP 452 Cb 0.35 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.48 1xmf h TRP 452 CO 0.00 1.24 0.05 0.78 -3.56 0.00 0.00 178.44 176.94 1xmf h GLY 453 N -0.62 0.85 0.88 1.49 0.00 -1.97 -1.25 103.07 102.44 1xmf h GLY 453 Ca -0.13 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.69 1xmf h GLY 453 CO 0.05 0.50 -0.01 -2.09 0.00 0.00 0.00 176.54 174.99 1xmf h GLU 454 N 0.75 0.02 -0.14 4.80 4.81 -1.53 -1.02 114.58 122.26 1xmf h GLU 454 Ca 0.15 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1xmf h GLU 454 Cb 0.39 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1xmf h GLU 454 CO 0.01 0.01 -0.09 -0.09 -0.73 0.00 0.00 179.01 178.13 1xmf h ARG 455 N 0.02 -0.08 -0.70 1.92 2.43 -1.19 0.75 114.38 117.53 1xmf h ARG 455 Ca 0.04 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.34 1xmf h ARG 455 Cb 0.04 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.52 1xmf h ARG 455 CO -0.06 -0.05 0.23 0.52 -1.51 0.00 0.00 179.97 179.09 1xmf h MET 456 N -0.08 0.36 -0.03 0.20 2.86 -0.85 -1.27 114.93 116.11 1xmf h MET 456 Ca 0.08 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1xmf h MET 456 Cb 0.21 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1xmf h MET 456 CO -0.19 0.24 -0.02 2.35 1.06 0.00 0.00 176.91 180.34 1xmf h TRP 457 N 0.37 0.08 -1.00 -0.22 7.01 -0.36 0.96 115.95 122.79 1xmf h TRP 457 Ca 0.38 -0.02 0.17 0.00 2.11 0.00 0.00 58.89 61.53 1xmf h TRP 457 Cb 0.58 -0.02 -0.10 0.00 -2.10 0.00 0.00 29.16 27.52 1xmf h TRP 457 CO -0.20 0.49 0.62 -0.07 -2.79 0.00 0.00 178.44 176.49 1xmf h LEU 458 N -0.36 0.80 0.07 0.65 3.38 -0.39 0.56 115.31 120.01 1xmf h LEU 458 Ca 0.01 0.08 -0.29 0.00 0.09 0.00 0.00 57.88 57.77 1xmf h LEU 458 Cb 0.47 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1xmf h LEU 458 CO 0.01 0.33 -1.51 0.00 0.09 0.00 0.00 178.44 177.36 1xmf h ALA 459 N 1.61 0.43 -1.43 1.53 0.00 -1.23 -3.40 119.26 116.78 1xmf h ALA 459 Ca 0.55 -1.18 -0.55 0.00 0.00 0.00 0.00 54.91 53.73 1xmf h ALA 459 Cb 0.80 0.28 -0.42 0.00 0.00 0.00 0.00 17.79 18.46 1xmf h ALA 459 CO -0.33 1.29 -0.82 0.39 0.00 0.00 0.00 179.25 179.77 1xmf n GLU 460 N -3.33 3.00 -0.38 0.00 1.02 0.33 -4.91 120.64 116.36 1xmf n GLU 460 Ca -0.14 -4.27 0.30 0.00 -0.02 0.00 0.00 57.16 53.02 1xmf n GLU 460 Cb 1.03 -2.06 0.58 0.00 -0.02 0.00 0.00 31.44 30.97 1xmf n GLU 460 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1xmf h PRO 461 N 2.66 0.22 0.00 3.49 0.11 -1.11 0.14 132.00 137.51 1xmf h PRO 461 Ca 0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1xmf h PRO 461 Cb 0.97 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1xmf h PRO 461 CO 0.78 0.15 0.00 1.05 -0.21 0.00 0.00 178.00 179.77 1xmf h GLU 462 N 0.23 0.00 0.00 1.05 9.09 -1.91 -3.06 114.58 119.98 1xmf h GLU 462 Ca 0.72 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.13 1xmf h GLU 462 Cb 2.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.16 1xmf h GLU 462 CO -0.38 0.00 -0.10 0.00 0.05 0.00 0.00 179.01 178.58 1xmf h ARG 463 N 0.00 0.00 -3.02 1.06 3.08 -1.11 -3.41 114.38 110.98 1xmf h ARG 463 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1xmf h ARG 463 Cb 0.75 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.39 1xmf h ARG 463 CO 0.00 0.00 -0.69 0.71 -1.07 0.00 0.00 179.97 178.92 1xmf s TYR 464 N -3.19 2.71 -0.10 3.04 1.51 -1.16 -4.88 117.35 115.28 1xmf s TYR 464 Ca 0.07 -2.92 0.14 0.00 -1.01 0.00 0.00 57.07 53.35 1xmf s TYR 464 Cb 0.07 -2.26 0.25 0.00 -0.11 0.00 0.00 41.96 39.92 1xmf s TYR 464 CO 0.66 -0.69 1.13 0.39 -1.11 0.00 0.00 175.55 175.93 1xmf n GLU 465 N 2.77 0.93 -1.92 -0.62 1.02 -1.26 -4.95 120.64 116.60 1xmf n GLU 465 Ca 0.15 -2.28 -0.42 0.00 -0.02 0.00 0.00 57.16 54.58 1xmf n GLU 465 Cb 0.36 -1.17 -0.03 0.00 -0.02 0.00 0.00 31.44 30.58 1xmf n GLU 465 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xmf s GLN 467 N 3.17 4.50 0.38 0.00 1.11 -1.26 -4.96 119.66 122.60 1xmf s GLN 467 Ca 0.75 1.71 0.03 0.00 0.01 0.00 0.00 55.36 57.86 1xmf s GLN 467 Cb -0.38 -3.00 -0.01 0.00 -1.01 0.00 0.00 33.01 28.61 1xmf s GLN 467 CO 0.33 0.11 0.56 0.54 0.01 0.00 0.00 175.29 176.83 1xmf s ASN 468 N -1.09 5.96 0.43 5.90 2.20 -1.26 -4.92 114.94 122.15 1xmf s ASN 468 Ca 0.48 0.09 0.16 0.00 -0.94 0.00 0.00 52.86 52.65 1xmf s ASN 468 Cb -0.29 -1.47 1.06 0.00 -2.00 0.00 0.00 41.25 38.54 1xmf s ASN 468 CO 0.37 -0.51 1.93 0.16 -2.94 0.00 0.00 177.10 176.10 1xmf h ILE 469 N 0.68 0.81 -0.06 0.54 3.07 -1.97 0.49 117.51 121.07 1xmf h ILE 469 Ca -0.47 -0.14 -0.11 0.00 1.55 0.00 0.00 64.86 65.69 1xmf h ILE 469 Cb 1.25 0.36 -0.01 0.00 -0.27 0.00 0.00 36.82 38.15 1xmf h ILE 469 CO 0.56 0.07 -0.48 -0.26 -1.05 0.00 0.00 178.15 176.99 1xmf h PHE 470 N 0.41 0.17 -0.01 0.16 0.05 -1.94 0.33 116.94 116.11 1xmf h PHE 470 Ca 0.36 -0.05 -0.02 0.00 3.82 0.00 0.00 57.97 62.07 1xmf h PHE 470 Cb 0.81 -0.04 0.00 0.00 2.00 0.00 0.00 35.95 38.73 1xmf h PHE 470 CO -0.00 0.60 -0.08 0.93 -0.18 0.00 0.00 178.31 179.58 1xmf h GLU 471 N 0.12 0.08 -0.25 1.51 5.08 -1.29 0.16 114.58 119.99 1xmf h GLU 471 Ca 0.00 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 1xmf h GLU 471 Cb 0.90 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1xmf h GLU 471 CO 0.07 0.75 -0.44 0.37 -1.00 0.00 0.00 179.01 178.75 1xmf h GLN 472 N -0.56 0.62 -0.04 2.33 5.75 -1.24 -3.10 115.11 118.88 1xmf h GLN 472 Ca -0.01 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 1xmf h GLN 472 Cb 0.76 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.33 1xmf h GLN 472 CO 0.02 0.94 0.00 0.66 -2.65 0.00 0.00 178.83 177.80 1xmf n TYR 473 N -4.01 0.02 -1.65 3.99 0.53 0.12 -4.92 117.16 111.24 1xmf n TYR 473 Ca -0.02 -0.01 -0.49 0.00 -1.02 0.00 0.00 57.90 56.35 1xmf n TYR 473 Cb 0.54 0.00 -0.05 0.00 -1.03 0.00 0.00 39.34 38.80 1xmf n TYR 473 CO 0.00 0.00 0.00 -1.91 -1.02 0.00 0.00 176.86 173.93 1xmf n GLU 474 N 0.59 1.73 0.00 -0.72 2.13 0.04 -0.54 120.64 123.87 1xmf n GLU 474 Ca 0.17 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1xmf n GLU 474 Cb 0.44 -2.36 0.00 0.00 0.27 0.00 0.00 31.44 29.79 1xmf n GLU 474 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xmf n GLY 475 N 3.36 2.79 3.82 8.31 0.00 -0.27 -4.97 105.19 118.24 1xmf n GLY 475 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1xmf n GLY 475 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xmf s ARG 476 N -0.18 4.23 -0.17 1.61 1.81 0.30 -4.77 118.95 121.77 1xmf s ARG 476 Ca 0.00 0.97 -0.19 0.00 -1.72 0.00 0.00 55.73 54.78 1xmf s ARG 476 Cb 0.00 -2.50 -0.03 0.00 -0.45 0.00 0.00 34.95 31.96 1xmf s ARG 476 CO 0.00 0.17 0.55 -2.00 -0.68 0.00 0.00 175.30 173.33 1xmf s GLU 477 N -2.68 4.25 0.09 3.54 -6.30 -1.26 -1.55 118.70 114.78 1xmf s GLU 477 Ca 0.54 0.50 -0.17 0.00 -2.50 0.00 0.00 54.97 53.34 1xmf s GLU 477 Cb -0.13 -3.53 -0.04 0.00 0.00 0.00 0.00 34.13 30.44 1xmf s GLU 477 CO 0.18 -0.08 0.87 -0.11 0.02 0.00 0.00 175.26 176.15 1xmf n LEU 478 N 4.49 -0.57 0.20 2.70 7.94 0.87 0.07 117.00 132.70 1xmf n LEU 478 Ca -0.04 1.00 0.18 0.00 -1.11 0.00 0.00 56.01 56.04 1xmf n LEU 478 Cb 0.51 -0.15 0.83 0.00 0.53 0.00 0.00 43.42 45.14 1xmf n LEU 478 CO 0.43 -0.80 1.15 0.77 -1.11 0.00 0.00 177.39 177.83 1xmf h SER 479 N 0.00 0.00 0.26 1.96 4.64 -1.84 -1.51 113.55 117.06 1xmf h SER 479 Ca 0.09 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.14 1xmf h SER 479 Cb 0.22 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1xmf h SER 479 CO -0.51 0.00 -1.14 -0.33 -0.87 0.00 0.00 176.83 173.99 1xmf h GLU 480 N 0.00 0.51 -0.48 4.77 5.08 -0.77 -2.37 114.58 121.32 1xmf h GLU 480 Ca 0.10 -0.65 -0.07 0.00 -1.00 0.00 0.00 59.36 57.74 1xmf h GLU 480 Cb 0.58 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1xmf h GLU 480 CO -0.00 1.27 0.02 0.28 -1.00 0.00 0.00 179.01 179.58 1xmf h VAL 481 N 0.24 1.26 -0.43 3.13 2.07 -1.19 -1.24 116.25 120.10 1xmf h VAL 481 Ca -0.14 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 1xmf h VAL 481 Cb 1.80 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1xmf h VAL 481 CO 0.21 0.36 0.19 0.40 0.02 0.00 0.00 177.57 178.74 1xmf h ILE 482 N 0.70 1.19 -0.28 4.57 2.04 -1.44 -2.10 117.51 122.19 1xmf h ILE 482 Ca 0.14 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1xmf h ILE 482 Cb 0.48 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1xmf h ILE 482 CO 0.02 0.21 0.12 0.00 0.00 0.00 0.00 178.15 178.50 1xmf h ALA 483 N 1.03 0.36 -0.48 1.87 0.00 -1.31 0.46 119.26 121.20 1xmf h ALA 483 Ca 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xmf h ALA 483 Cb 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1xmf h ALA 483 CO -0.01 -0.06 0.22 1.49 0.00 0.00 0.00 179.25 180.88 1xmf h GLU 484 N 0.30 0.67 -0.64 0.00 4.81 -1.13 -2.37 114.58 116.22 1xmf h GLU 484 Ca 0.09 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1xmf h GLU 484 Cb 0.15 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1xmf h GLU 484 CO -0.01 0.53 0.00 1.28 -0.73 0.00 0.00 179.01 180.08 1xmf n LEU 485 N -4.38 4.30 -3.60 1.64 4.77 -0.80 -4.96 117.00 113.97 1xmf n LEU 485 Ca 0.04 -2.17 -0.21 0.00 -0.03 0.00 0.00 56.01 53.64 1xmf n LEU 485 Cb 0.13 -0.57 0.06 0.00 -2.33 0.00 0.00 43.42 40.72 1xmf n LEU 485 CO 0.37 0.65 0.05 1.41 -1.33 0.00 0.00 177.39 178.54 1xmf n HIS 486 N 0.78 -2.16 -0.90 -1.77 8.25 -0.87 -4.63 115.22 113.91 1xmf n HIS 486 Ca 0.22 0.91 -0.16 0.00 -0.26 0.00 0.00 57.72 58.42 1xmf n HIS 486 Cb 0.84 -4.71 0.03 0.00 1.12 0.00 0.00 29.99 27.27 1xmf n HIS 486 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xmf n GLY 487 N -1.45 3.99 3.33 -1.41 0.00 0.10 -4.84 105.19 104.91 1xmf n GLY 487 Ca -0.24 -1.07 -0.18 0.00 0.00 0.00 0.00 46.02 44.54 1xmf n GLY 487 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xmf s LEU 488 N -1.69 2.54 0.87 0.99 1.02 -1.26 -1.47 118.68 119.68 1xmf s LEU 488 Ca 0.31 -1.03 -0.11 0.00 0.02 0.00 0.00 54.13 53.32 1xmf s LEU 488 Cb 0.23 -0.59 0.16 0.00 0.02 0.00 0.00 46.19 46.02 1xmf s LEU 488 CO -0.02 -0.22 1.21 -0.13 0.02 0.00 0.00 176.35 177.21 1xmf s ARG 489 N -3.67 1.10 0.44 1.70 0.52 -0.04 -4.68 118.95 114.31 1xmf s ARG 489 Ca 0.22 -0.56 0.21 0.00 -0.52 0.00 0.00 55.73 55.07 1xmf s ARG 489 Cb 0.00 -2.00 1.17 0.00 0.52 0.00 0.00 34.95 34.63 1xmf s ARG 489 CO 0.06 -2.03 1.84 0.77 0.02 0.00 0.00 175.30 175.96 1xmf h SER 490 N -1.24 0.34 0.05 0.23 0.02 -2.00 -1.76 113.55 109.19 1xmf h SER 490 Ca -0.42 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1xmf h SER 490 Cb 1.25 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1xmf h SER 490 CO 0.42 0.12 0.00 -0.90 -1.14 0.00 0.00 176.83 175.32 1xmf n ASP 491 N -4.48 0.00 -1.07 3.07 3.85 -1.26 -4.82 116.55 111.83 1xmf n ASP 491 Ca 0.20 -0.21 -0.14 0.00 -0.71 0.00 0.00 54.79 53.93 1xmf n ASP 491 Cb 0.79 -0.07 -0.06 0.00 -1.35 0.00 0.00 41.12 40.42 1xmf n ASP 491 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xmf n GLY 492 N -0.34 1.40 0.67 6.12 0.00 -0.66 -4.72 105.19 107.65 1xmf n GLY 492 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1xmf n GLY 492 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xmf n LYS 493 N -1.98 0.00 -2.61 1.61 -0.00 -1.26 -5.01 118.16 108.91 1xmf n LYS 493 Ca -0.14 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.75 1xmf n LYS 493 Cb 0.54 -0.31 -0.04 0.00 -0.00 0.00 0.00 35.03 35.22 1xmf n LYS 493 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1xmf s THR 494 N -1.33 4.41 0.52 0.58 2.01 -1.26 -0.70 115.64 119.87 1xmf s THR 494 Ca 0.00 1.85 -0.22 0.00 0.31 0.00 0.00 61.69 63.63 1xmf s THR 494 Cb 0.00 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 1xmf s THR 494 CO 0.00 0.21 1.30 -0.76 -0.69 0.00 0.00 174.62 174.68 1xmf s LEU 495 N 0.54 3.89 -0.02 4.42 1.43 -0.38 -0.86 118.68 127.70 1xmf s LEU 495 Ca 0.52 2.63 -0.25 0.00 -1.03 0.00 0.00 54.13 56.00 1xmf s LEU 495 Cb -0.25 -4.27 -0.19 0.00 0.03 0.00 0.00 46.19 41.51 1xmf s LEU 495 CO 0.30 -1.39 1.21 0.40 0.23 0.00 0.00 176.35 177.10 1xmf h ILE 496 N 1.55 1.16 -4.08 -0.59 2.04 -1.53 -3.42 117.51 112.65 1xmf h ILE 496 Ca -0.50 -1.02 -0.50 0.00 1.00 0.00 0.00 64.86 63.84 1xmf h ILE 496 Cb 1.29 1.80 0.07 0.00 -0.74 0.00 0.00 36.82 39.24 1xmf h ILE 496 CO 0.58 0.24 0.44 0.00 0.00 0.00 0.00 178.15 179.41 1xmf s ALA 497 N -4.31 2.71 0.03 1.87 0.00 -1.26 -4.52 121.76 116.28 1xmf s ALA 497 Ca -0.15 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 1xmf s ALA 497 Cb 0.02 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.78 1xmf s ALA 497 CO 0.62 -0.77 0.23 -0.65 0.00 0.00 0.00 175.76 175.19 1xmf s GLN 498 N -3.24 0.69 -0.05 0.00 -1.52 -1.24 -4.82 119.66 109.49 1xmf s GLN 498 Ca 0.72 -0.50 0.12 0.00 -1.95 0.00 0.00 55.36 53.75 1xmf s GLN 498 Cb -0.24 0.29 0.43 0.00 -0.22 0.00 0.00 33.01 33.27 1xmf s GLN 498 CO 0.28 -0.20 1.31 -0.35 -0.25 0.00 0.00 175.29 176.08 1xmf n PRO 499 N 0.85 2.47 -3.74 2.91 -0.04 -1.26 -0.95 135.00 135.23 1xmf n PRO 499 Ca -0.20 -1.72 -0.09 0.00 -0.04 0.00 0.00 63.50 61.46 1xmf n PRO 499 Cb 0.58 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1xmf n PRO 499 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1xmf s HIS 500 N -1.61 -0.25 -0.21 0.54 -3.43 0.11 -4.54 115.29 105.90 1xmf s HIS 500 Ca 0.31 -0.13 0.14 0.00 -0.80 0.00 0.00 55.06 54.59 1xmf s HIS 500 Cb 0.19 0.62 0.48 0.00 -1.43 0.00 0.00 32.58 32.44 1xmf s HIS 500 CO 0.17 -1.10 1.38 1.33 -2.00 0.00 0.00 174.74 174.52 1xmf n VAL 501 N -0.43 2.30 -2.31 -5.38 0.24 -1.26 -4.42 118.33 107.08 1xmf n VAL 501 Ca -0.08 -2.26 -0.27 0.00 -2.04 0.00 0.00 64.34 59.69 1xmf n VAL 501 Cb 0.61 -0.27 0.04 0.00 -1.47 0.00 0.00 33.84 32.75 1xmf n VAL 501 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1xmf s ARG 502 N -2.99 2.77 0.09 7.34 0.52 -1.26 -4.93 118.95 120.50 1xmf s ARG 502 Ca 0.41 -0.02 0.26 0.00 -0.52 0.00 0.00 55.73 55.86 1xmf s ARG 502 Cb 0.35 -2.23 0.64 0.00 0.52 0.00 0.00 34.95 34.24 1xmf s ARG 502 CO 0.04 -0.84 1.55 0.41 0.02 0.00 0.00 175.30 176.49 1xmf n GLY 503 N -2.69 -1.46 3.57 -3.53 0.00 -1.26 -4.91 105.19 94.92 1xmf n GLY 503 Ca 0.05 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 1xmf n GLY 503 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1xmf s ASP 504 N -3.79 4.15 -0.93 1.61 -4.77 -1.26 -4.77 116.67 106.91 1xmf s ASP 504 Ca 0.10 -0.76 -0.05 0.00 -3.30 0.00 0.00 52.55 48.55 1xmf s ASP 504 Cb 0.15 -0.63 -0.05 0.00 -1.09 0.00 0.00 42.92 41.30 1xmf s ASP 504 CO 0.65 0.04 0.81 0.29 0.70 0.00 0.00 175.17 177.67 1xmf n LYS 505 N -0.57 -2.44 -3.31 2.11 5.02 -1.26 -5.00 118.16 112.70 1xmf n LYS 505 Ca -0.07 0.76 -0.34 0.00 -2.02 0.00 0.00 58.31 56.64 1xmf n LYS 505 Cb 0.58 -5.31 -0.06 0.00 -0.02 0.00 0.00 35.03 30.23 1xmf n LYS 505 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xmf s LEU 506 N -5.18 4.24 0.30 -0.35 1.43 -1.26 -4.71 118.68 113.15 1xmf s LEU 506 Ca 0.35 1.09 -0.26 0.00 -1.03 0.00 0.00 54.13 54.28 1xmf s LEU 506 Cb -0.05 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.50 1xmf s LEU 506 CO 0.65 -0.02 0.93 0.26 0.23 0.00 0.00 176.35 178.40 1xmf s TRP 507 N -1.68 3.75 0.41 0.29 0.52 -1.26 -4.94 118.94 116.03 1xmf s TRP 507 Ca 0.44 1.79 0.07 0.00 0.02 0.00 0.00 56.10 58.43 1xmf s TRP 507 Cb -0.13 -2.92 -0.05 0.00 -1.15 0.00 0.00 33.47 29.22 1xmf s TRP 507 CO 0.20 0.27 0.16 0.95 0.02 0.00 0.00 176.95 178.54 1xmf s THR 508 N -1.53 2.30 0.18 2.01 -4.23 -1.26 -1.25 115.64 111.86 1xmf s THR 508 Ca 0.48 -1.73 -0.12 0.00 -1.18 0.00 0.00 61.69 59.13 1xmf s THR 508 Cb -0.20 -2.99 0.09 0.00 1.34 0.00 0.00 72.50 70.74 1xmf s THR 508 CO 0.25 -0.01 1.78 0.25 -0.54 0.00 0.00 174.62 176.35 1xmf h LEU 509 N 1.48 0.37 -0.07 4.79 5.85 -1.26 -1.84 115.31 124.62 1xmf h LEU 509 Ca -0.43 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.36 1xmf h LEU 509 Cb 1.25 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 1xmf h LEU 509 CO 0.71 0.25 -0.19 -0.78 -0.34 0.00 0.00 178.44 178.09 1xmf h ASP 510 N 0.50 -0.58 -1.10 1.25 3.58 -1.96 0.13 116.42 118.24 1xmf h ASP 510 Ca 0.24 0.09 0.30 0.00 0.42 0.00 0.00 57.03 58.08 1xmf h ASP 510 Cb 0.16 0.26 -0.09 0.00 1.72 0.00 0.00 39.33 41.38 1xmf h ASP 510 CO -0.17 -0.25 0.73 0.44 -2.88 0.00 0.00 179.24 177.11 1xmf h ASP 511 N -0.28 0.32 0.02 2.28 3.32 -1.71 -0.09 116.42 120.29 1xmf h ASP 511 Ca 0.08 0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 1xmf h ASP 511 Cb 0.39 0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.97 1xmf h ASP 511 CO -0.23 0.04 -0.31 0.40 -1.72 0.00 0.00 179.24 177.42 1xmf h ILE 512 N 0.27 1.58 -0.90 0.35 1.08 -0.55 -3.30 117.51 116.04 1xmf h ILE 512 Ca 0.61 -2.12 0.09 0.00 -0.39 0.00 0.00 64.86 63.05 1xmf h ILE 512 Cb 1.80 2.95 -0.07 0.00 -3.07 0.00 0.00 36.82 38.43 1xmf h ILE 512 CO -0.24 0.58 0.58 0.50 -0.69 0.00 0.00 178.15 178.88 1xmf h LYS 513 N -0.56 0.88 0.00 2.37 3.64 0.82 -0.06 116.57 123.67 1xmf h LYS 513 Ca -0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1xmf h LYS 513 Cb 1.12 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1xmf h LYS 513 CO 0.06 0.58 0.00 0.00 -2.27 0.00 0.00 179.45 177.82 1xmf h ARG 514 N 0.91 0.00 0.00 1.90 3.08 -1.17 -1.52 114.38 117.58 1xmf h ARG 514 Ca 0.42 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.37 1xmf h ARG 514 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1xmf h ARG 514 CO -0.18 0.00 -0.45 -0.07 -1.07 0.00 0.00 179.97 178.20 1xmf h LEU 515 N 0.00 0.00 -0.91 3.04 3.38 -1.09 -3.47 115.31 116.26 1xmf h LEU 515 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 1xmf h LEU 515 Cb 0.16 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.05 1xmf h LEU 515 CO 0.00 0.45 -0.68 -3.20 0.09 0.00 0.00 178.44 175.11 1xmf n ASN 516 N -3.53 -6.06 -4.65 -0.43 4.05 -0.57 -4.96 115.26 99.11 1xmf n ASN 516 Ca -0.00 -0.54 -0.42 0.00 0.45 0.00 0.00 54.58 54.07 1xmf n ASN 516 Cb 0.57 -4.99 -0.03 0.00 1.23 0.00 0.00 39.78 36.56 1xmf n ASN 516 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xmf s VAL 518 N 3.01 2.50 0.48 0.00 1.01 -1.26 -0.09 120.40 126.05 1xmf s VAL 518 Ca 0.41 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 1xmf s VAL 518 Cb -0.15 -2.02 -0.07 0.00 0.00 0.00 0.00 36.38 34.14 1xmf s VAL 518 CO 0.07 0.53 1.22 -0.36 0.00 0.00 0.00 175.10 176.56 1xmf s PHE 519 N 0.60 2.74 0.04 5.22 0.40 -0.60 -4.88 117.98 121.50 1xmf s PHE 519 Ca -0.10 1.49 0.04 0.00 -0.60 0.00 0.00 56.93 57.76 1xmf s PHE 519 Cb -0.16 -3.49 -0.02 0.00 0.51 0.00 0.00 43.02 39.86 1xmf s PHE 519 CO 0.03 -1.85 -0.12 0.15 0.70 0.00 0.00 175.22 174.13 1xmf s LYS 520 N -2.73 0.79 -0.75 0.44 1.02 -1.26 -1.11 119.74 116.14 1xmf s LYS 520 Ca 0.65 -0.74 -0.22 0.00 0.02 0.00 0.00 55.97 55.68 1xmf s LYS 520 Cb -0.32 -0.76 0.07 0.00 -0.52 0.00 0.00 37.83 36.31 1xmf s LYS 520 CO 0.38 0.18 1.08 1.21 -0.92 0.00 0.00 175.35 177.28 1xmf s ASN 521 N -1.22 6.29 0.56 2.83 3.84 -1.26 -4.82 114.94 121.16 1xmf s ASN 521 Ca -0.01 -1.16 0.34 0.00 0.21 0.00 0.00 52.86 52.25 1xmf s ASN 521 Cb -0.08 -2.45 1.46 0.00 -0.55 0.00 0.00 41.25 39.64 1xmf s ASN 521 CO 0.01 -1.43 1.75 1.55 -2.79 0.00 0.00 177.10 176.19 1xmf h PRO 522 N 9.51 0.00 -0.35 0.43 0.13 -1.92 -1.85 132.00 137.95 1xmf h PRO 522 Ca -0.16 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 1xmf h PRO 522 Cb 1.05 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1xmf h PRO 522 CO 1.20 0.00 0.12 -0.24 -0.23 0.00 0.00 178.00 178.86 1xmf h VAL 523 N 0.00 1.14 0.00 1.56 3.04 -1.93 -2.86 116.25 117.20 1xmf h VAL 523 Ca 0.49 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1xmf h VAL 523 Cb 2.17 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 32.21 1xmf h VAL 523 CO -0.01 0.18 0.00 0.29 -1.01 0.00 0.00 177.57 177.02 1xmf n LYS 524 N -4.38 0.04 0.00 4.17 5.02 -0.70 -1.81 118.16 120.50 1xmf n LYS 524 Ca 0.02 0.48 0.05 0.00 -2.02 0.00 0.00 58.31 56.84 1xmf n LYS 524 Cb 0.15 -1.63 0.25 0.00 -0.02 0.00 0.00 35.03 33.78 1xmf n LYS 524 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xmf n ALA 525 N -1.58 1.55 -0.18 7.82 0.00 -1.08 -1.36 120.51 125.69 1xmf n ALA 525 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.51 1xmf n ALA 525 Cb 0.05 -1.18 0.30 0.00 0.00 0.00 0.00 19.45 18.63 1xmf n ALA 525 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xmf n PHE 526 N -1.44 0.90 1.85 0.00 3.01 -0.75 -5.22 117.46 115.81 1xmf n PHE 526 Ca 0.03 -0.45 0.15 0.00 1.01 0.00 0.00 57.45 58.20 1xmf n PHE 526 Cb 0.12 0.00 0.82 0.00 -0.01 0.00 0.00 39.48 40.41 1xmf n PHE 526 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86