#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 3.27 -0.18 5.13 0.00 -1.26 -4.97 121.76 123.75 1xmf s ALA 19 Ca 0.00 0.55 -0.38 0.00 0.00 0.00 0.00 51.96 52.13 1xmf s ALA 19 Cb 0.00 -3.24 -0.14 0.00 0.00 0.00 0.00 23.12 19.74 1xmf s ALA 19 CO 0.00 0.02 1.75 -2.30 0.00 0.00 0.00 175.76 175.23 1xmf n PRO 20 N 2.59 1.49 -3.87 0.00 -0.02 -1.26 -4.98 135.00 128.96 1xmf n PRO 20 Ca 0.01 0.55 -0.11 0.00 -2.02 0.00 0.00 63.50 61.93 1xmf n PRO 20 Cb 0.49 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.60 1xmf n PRO 20 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1xmf s THR 21 N 3.40 0.09 0.00 3.45 -1.32 -1.26 -5.17 115.64 114.83 1xmf s THR 21 Ca 0.95 -0.73 0.00 0.00 -1.21 0.00 0.00 61.69 60.70 1xmf s THR 21 Cb -0.94 -0.53 0.00 0.00 -1.51 0.00 0.00 72.50 69.53 1xmf s THR 21 CO 0.59 -0.40 0.00 -0.24 -2.21 0.00 0.00 174.62 172.36 1xmf n SER 22 N 1.30 0.08 -3.85 8.08 2.88 -1.26 -5.17 113.62 115.69 1xmf n SER 22 Ca -0.22 -0.80 -0.17 0.00 -1.33 0.00 0.00 58.87 56.35 1xmf n SER 22 Cb 0.56 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.86 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 -1.75 0.25 0.58 2.46 1.01 -1.26 -5.16 120.40 116.52 1xmf s VAL 23 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.08 1xmf s VAL 23 Cb 0.00 -0.31 0.10 0.00 0.00 0.00 0.00 36.38 36.17 1xmf s VAL 23 CO 0.00 0.15 0.79 -0.46 0.00 0.00 0.00 175.10 175.58 1xmf n ASN 24 N 3.96 1.95 -0.08 3.32 0.23 -1.26 -5.02 115.26 118.36 1xmf n ASN 24 Ca -0.25 -2.44 -0.10 0.00 -0.53 0.00 0.00 54.58 51.26 1xmf n ASN 24 Cb 0.51 -0.43 -0.04 0.00 -2.08 0.00 0.00 39.78 37.74 1xmf n ASN 24 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xmf h ALA 25 N 0.04 0.33 -0.46 -2.53 0.00 -1.99 -2.96 119.26 111.69 1xmf h ALA 25 Ca -0.27 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1xmf h ALA 25 Cb 1.20 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1xmf h ALA 25 CO 0.37 -0.05 0.31 -0.56 0.00 0.00 0.00 179.25 179.32 1xmf h GLN 26 N 0.25 0.49 0.00 0.00 3.07 -1.97 0.65 115.11 117.60 1xmf h GLN 26 Ca 0.08 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 58.76 1xmf h GLN 26 Cb 0.23 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 27.67 1xmf h GLN 26 CO -0.00 0.32 -0.16 0.93 0.09 0.00 0.00 178.83 180.01 1xmf h GLU 27 N 0.50 0.00 0.05 0.06 5.08 -1.89 -1.92 114.58 116.47 1xmf h GLU 27 Ca 0.19 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.21 1xmf h GLU 27 Cb 0.12 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1xmf h GLU 27 CO -0.05 0.16 -1.87 0.28 -1.00 0.00 0.00 179.01 176.53 1xmf n VAL 28 N -3.56 1.63 0.07 3.13 0.31 0.20 -4.25 118.33 115.87 1xmf n VAL 28 Ca -0.01 -0.40 0.18 0.00 -0.01 0.00 0.00 64.34 64.10 1xmf n VAL 28 Cb 0.30 -1.82 0.71 0.00 -0.91 0.00 0.00 33.84 32.13 1xmf n VAL 28 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1xmf h HIS 29 N -0.43 0.00 -0.19 3.52 -0.00 0.31 -1.71 115.15 116.65 1xmf h HIS 29 Ca -0.45 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 59.97 1xmf h HIS 29 Cb 1.72 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 29.12 1xmf h HIS 29 CO 0.06 0.00 0.24 -0.09 -0.00 0.00 0.00 177.93 178.14 1xmf h ARG 30 N 0.00 0.00 -0.27 5.26 1.12 -1.52 -0.30 114.38 118.66 1xmf h ARG 30 Ca 0.19 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.06 1xmf h ARG 30 Cb 0.81 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.77 1xmf h ARG 30 CO -0.00 0.00 0.00 0.91 -3.11 0.00 0.00 179.97 177.77 1xmf n TRP 31 N -3.67 0.35 -0.11 2.20 7.02 -0.64 -4.58 117.44 118.01 1xmf n TRP 31 Ca 0.02 -0.27 -0.07 0.00 -1.02 0.00 0.00 57.50 56.16 1xmf n TRP 31 Cb 0.36 -0.01 0.10 0.00 -2.42 0.00 0.00 31.31 29.34 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 2.97 0.82 -2.47 -0.99 5.85 -1.09 -2.85 115.31 117.55 1xmf h LEU 32 Ca 0.00 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1xmf h LEU 32 Cb 0.75 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1xmf h LEU 32 CO 0.00 0.96 0.08 -0.61 -0.34 0.00 0.00 178.44 178.53 1xmf h GLN 33 N 0.74 0.00 0.00 1.25 5.75 -1.81 -0.70 115.11 120.34 1xmf h GLN 33 Ca 0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1xmf h GLN 33 Cb 0.63 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.18 1xmf h GLN 33 CO 0.04 0.00 -0.28 0.66 -2.65 0.00 0.00 178.83 176.60 1xmf h SER 34 N 0.00 0.00 -0.95 -0.69 4.64 -1.83 -3.37 113.55 111.35 1xmf h SER 34 Ca 0.03 -0.06 0.15 0.00 -0.47 0.00 0.00 61.79 61.43 1xmf h SER 34 Cb 0.18 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.19 1xmf h SER 34 CO -0.00 0.03 0.60 -0.26 -0.87 0.00 0.00 176.83 176.33 1xmf h PHE 35 N 0.00 0.95 -3.89 4.77 -1.00 -1.18 -3.41 116.94 113.19 1xmf h PHE 35 Ca 0.00 0.03 -0.48 0.00 2.81 0.00 0.00 57.97 60.33 1xmf h PHE 35 Cb 0.83 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 40.08 1xmf h PHE 35 CO 0.00 0.33 0.37 1.21 -1.61 0.00 0.00 178.31 178.62 1xmf s ASN 36 N -5.68 7.22 0.30 2.17 3.84 -1.26 -5.06 114.94 116.47 1xmf s ASN 36 Ca -0.11 1.94 0.04 0.00 0.21 0.00 0.00 52.86 54.94 1xmf s ASN 36 Cb 0.23 -2.59 -0.06 0.00 -0.55 0.00 0.00 41.25 38.28 1xmf s ASN 36 CO 0.80 -0.16 0.04 -1.66 -2.79 0.00 0.00 177.10 173.33 1xmf s TRP 37 N -1.55 1.89 -0.03 0.43 -2.14 -1.26 -5.04 118.94 111.24 1xmf s TRP 37 Ca 0.51 -0.94 -0.07 0.00 2.66 0.00 0.00 56.10 58.26 1xmf s TRP 37 Cb -0.21 -1.19 -0.05 0.00 -3.10 0.00 0.00 33.47 28.92 1xmf s TRP 37 CO 0.27 0.01 0.23 -0.51 -2.66 0.00 0.00 176.95 174.30 1xmf s ASP 38 N -3.45 6.48 0.04 -2.66 1.11 -1.26 -5.01 116.67 111.92 1xmf s ASP 38 Ca 0.35 0.54 -0.27 0.00 0.18 0.00 0.00 52.55 53.35 1xmf s ASP 38 Cb 0.08 -2.08 0.08 0.00 1.07 0.00 0.00 42.92 42.06 1xmf s ASP 38 CO 0.14 0.30 0.70 0.72 1.18 0.00 0.00 175.17 178.21 1xmf s PHE 39 N -1.22 -0.53 0.17 4.23 -0.12 -1.26 -5.05 117.98 114.20 1xmf s PHE 39 Ca 0.24 0.57 -0.30 0.00 -0.05 0.00 0.00 56.93 57.40 1xmf s PHE 39 Cb -0.13 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 1xmf s PHE 39 CO 0.13 -0.69 1.54 -0.22 -0.05 0.00 0.00 175.22 175.94 1xmf h LYS 40 N 2.34 -0.03 -0.80 1.99 3.64 -2.06 -1.28 116.57 120.37 1xmf h LYS 40 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1xmf h LYS 40 Cb 1.24 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1xmf h LYS 40 CO 0.37 -0.02 0.00 0.09 -2.27 0.00 0.00 179.45 177.62 1xmf n ASN 41 N -5.29 2.79 -4.54 4.20 5.03 -1.26 -4.72 115.26 111.47 1xmf n ASN 41 Ca 0.03 -2.34 -0.42 0.00 0.87 0.00 0.00 54.58 52.71 1xmf n ASN 41 Cb 0.28 -0.55 -0.02 0.00 -1.02 0.00 0.00 39.78 38.47 1xmf n ASN 41 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1xmf s ASN 42 N -0.35 6.66 0.20 6.41 2.47 -0.49 -4.86 114.94 124.99 1xmf s ASN 42 Ca 0.21 -1.94 -0.18 0.00 0.42 0.00 0.00 52.86 51.38 1xmf s ASN 42 Cb 0.16 -2.53 0.03 0.00 -1.45 0.00 0.00 41.25 37.45 1xmf s ASN 42 CO 0.07 -1.29 0.54 0.00 -3.72 0.00 0.00 177.10 172.70 1xmf s ARG 43 N 4.15 1.42 0.43 0.43 1.04 -1.26 -4.88 118.95 120.28 1xmf s ARG 43 Ca 0.46 -0.89 -0.25 0.00 -1.04 0.00 0.00 55.73 54.01 1xmf s ARG 43 Cb 0.00 0.53 -0.08 0.00 -2.04 0.00 0.00 34.95 33.36 1xmf s ARG 43 CO -0.04 -0.61 1.26 0.99 -0.04 0.00 0.00 175.30 176.86 1xmf s THR 44 N -3.88 2.75 -1.17 4.99 2.01 -1.26 -4.93 115.64 114.14 1xmf s THR 44 Ca 0.10 0.63 0.26 0.00 0.31 0.00 0.00 61.69 62.99 1xmf s THR 44 Cb -0.01 -3.35 0.10 0.00 0.01 0.00 0.00 72.50 69.25 1xmf s THR 44 CO -0.02 0.06 1.52 0.29 -0.69 0.00 0.00 174.62 175.79 1xmf n LYS 45 N -0.13 0.19 -4.02 4.92 5.02 -1.26 -4.89 118.16 117.99 1xmf n LYS 45 Ca 0.05 -0.10 -0.34 0.00 -2.02 0.00 0.00 58.31 55.90 1xmf n LYS 45 Cb 0.45 -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 -2.88 3.41 0.26 2.13 1.51 -1.26 -5.08 117.35 115.44 1xmf s TYR 46 Ca 0.15 0.30 -0.29 0.00 -1.01 0.00 0.00 57.07 56.21 1xmf s TYR 46 Cb 0.18 -1.80 -0.09 0.00 -0.11 0.00 0.00 41.96 40.14 1xmf s TYR 46 CO 0.64 0.60 1.26 0.00 -1.11 0.00 0.00 175.55 176.94 1xmf s ALA 47 N -1.21 3.49 -0.28 3.71 0.00 -1.26 -5.01 121.76 121.21 1xmf s ALA 47 Ca 0.23 1.12 -0.25 0.00 0.00 0.00 0.00 51.96 53.06 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 0.14 -0.50 0.92 -0.08 0.00 0.00 0.00 175.76 176.25 1xmf s THR 48 N -0.60 0.00 -0.71 0.00 -1.32 -1.26 -3.97 115.64 107.77 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 0.44 0.00 1.77 0.11 -2.21 0.00 0.00 174.62 174.73 1xmf h LYS 49 N 4.55 0.00 -6.14 7.08 1.57 -1.98 -3.46 116.57 118.19 1xmf h LYS 49 Ca -0.28 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.86 1xmf h LYS 49 Cb 1.17 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.40 1xmf h LYS 49 CO 0.09 0.00 -0.58 0.71 -0.57 0.00 0.00 179.45 179.10 1xmf s TYR 50 N -3.11 3.24 -0.21 -1.35 1.51 -1.26 -4.83 117.35 111.34 1xmf s TYR 50 Ca 0.10 0.10 -0.03 0.00 -1.01 0.00 0.00 57.07 56.23 1xmf s TYR 50 Cb 0.12 -1.64 -0.01 0.00 -0.11 0.00 0.00 41.96 40.32 1xmf s TYR 50 CO 0.60 0.53 -0.05 -1.59 -1.11 0.00 0.00 175.55 173.92 1xmf s LYS 51 N -2.42 3.38 -0.27 -0.62 0.00 -1.26 -5.07 119.74 113.48 1xmf s LYS 51 Ca 0.30 -0.63 -0.19 0.00 0.00 0.00 0.00 55.97 55.45 1xmf s LYS 51 Cb -0.12 -2.96 -0.02 0.00 0.00 0.00 0.00 37.83 34.73 1xmf s LYS 51 CO 0.23 -0.14 0.57 -1.64 0.00 0.00 0.00 175.35 174.38 1xmf s MET 52 N 1.31 4.02 0.23 1.78 -1.94 -1.26 -4.49 119.30 118.96 1xmf s MET 52 Ca 0.04 0.36 -0.32 0.00 -1.71 0.00 0.00 55.69 54.06 1xmf s MET 52 Cb -0.14 -3.68 -0.13 0.00 2.01 0.00 0.00 34.83 32.90 1xmf s MET 52 CO -0.02 -0.43 1.59 0.00 -0.01 0.00 0.00 175.02 176.15 1xmf n ALA 53 N 5.67 2.12 1.07 3.03 0.00 -1.06 -4.49 120.51 126.86 1xmf n ALA 53 Ca -0.02 0.40 0.01 0.00 0.00 0.00 0.00 53.44 53.83 1xmf n ALA 53 Cb 0.49 -2.42 0.06 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 2.91 1.29 -0.20 0.00 0.23 -1.26 -3.14 115.26 115.09 1xmf n ASN 54 Ca 0.13 -2.09 0.06 0.00 -0.53 0.00 0.00 54.58 52.15 1xmf n ASN 54 Cb 0.34 -0.35 -0.02 0.00 -2.08 0.00 0.00 39.78 37.66 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 -0.01 2.24 -1.67 -3.83 1.02 -1.26 -4.20 120.64 112.93 1xmf n GLU 55 Ca 0.04 -0.49 -0.42 0.00 -0.02 0.00 0.00 57.16 56.27 1xmf n GLU 55 Cb 0.28 -1.14 -0.00 0.00 -0.02 0.00 0.00 31.44 30.56 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 -0.52 2.17 -4.37 2.62 -1.04 -1.19 -5.02 114.28 106.93 1xmf n THR 56 Ca 0.04 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.32 1xmf n THR 56 Cb 0.24 -1.42 -0.09 0.00 -1.82 0.00 0.00 70.33 67.24 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 -1.91 2.01 0.09 -2.82 1.02 -1.26 -3.97 119.74 112.90 1xmf s LYS 57 Ca 0.58 -1.56 0.02 0.00 0.02 0.00 0.00 55.97 55.03 1xmf s LYS 57 Cb -0.58 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.70 1xmf s LYS 57 CO 0.60 0.35 0.14 -1.83 -0.92 0.00 0.00 175.35 173.70 1xmf s GLU 58 N -3.55 3.09 0.32 1.68 -1.05 -1.26 -4.74 118.70 113.19 1xmf s GLU 58 Ca 0.30 -0.62 0.09 0.00 -0.15 0.00 0.00 54.97 54.59 1xmf s GLU 58 Cb -0.06 -2.83 0.53 0.00 -0.44 0.00 0.00 34.13 31.32 1xmf s GLU 58 CO 0.17 0.57 1.73 0.37 0.95 0.00 0.00 175.26 179.05 1xmf h GLN 59 N 3.07 0.13 -5.21 -4.83 4.15 -1.93 -3.43 115.11 107.06 1xmf h GLN 59 Ca -0.46 -0.06 -0.65 0.00 0.77 0.00 0.00 58.65 58.24 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 0.69 0.54 -0.73 -0.06 -1.93 0.00 0.00 178.83 177.34 1xmf s PHE 60 N -4.08 2.91 -1.27 3.99 0.40 -1.26 -5.04 117.98 113.62 1xmf s PHE 60 Ca -0.03 -0.67 -0.11 0.00 -0.60 0.00 0.00 56.93 55.52 1xmf s PHE 60 Cb 0.14 -1.95 0.15 0.00 0.51 0.00 0.00 43.02 41.87 1xmf s PHE 60 CO 0.76 -0.28 1.76 1.63 0.70 0.00 0.00 175.22 179.79 1xmf n LYS 61 N 3.93 3.47 -4.20 0.44 5.02 -1.26 -4.95 118.16 120.62 1xmf n LYS 61 Ca -0.18 -3.55 -0.23 0.00 -2.02 0.00 0.00 58.31 52.34 1xmf n LYS 61 Cb 0.52 -3.01 -0.06 0.00 -0.02 0.00 0.00 35.03 32.46 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 0.76 3.51 0.15 -0.35 1.43 -1.26 -3.80 118.68 119.12 1xmf s LEU 62 Ca 0.42 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 1xmf s LEU 62 Cb 0.06 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1xmf s LEU 62 CO 0.00 -0.01 -0.12 0.27 0.23 0.00 0.00 176.35 176.72 1xmf s ILE 63 N -2.18 1.36 0.25 -0.59 -4.36 -1.26 -4.87 121.20 109.55 1xmf s ILE 63 Ca 0.32 -1.98 -0.11 0.00 -0.26 0.00 0.00 60.65 58.62 1xmf s ILE 63 Cb -0.07 -1.79 0.36 0.00 1.25 0.00 0.00 42.46 42.21 1xmf s ILE 63 CO 0.22 -0.60 1.59 0.00 0.24 0.00 0.00 174.94 176.39 1xmf h ALA 64 N 2.98 0.53 -0.06 2.27 0.00 -2.00 -0.44 119.26 122.53 1xmf h ALA 64 Ca -0.38 0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1xmf h ALA 64 Cb 1.20 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 19.61 1xmf h ALA 64 CO 0.59 -0.41 -0.18 0.87 0.00 0.00 0.00 179.25 180.12 1xmf h LYS 65 N -0.01 -0.25 -0.42 0.00 1.79 -1.99 -0.63 116.57 115.07 1xmf h LYS 65 Ca 0.40 0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.79 1xmf h LYS 65 Cb 0.62 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.31 1xmf h LYS 65 CO -0.88 -0.16 -0.15 1.49 -1.08 0.00 0.00 179.45 178.67 1xmf h GLU 66 N -0.26 0.78 -0.02 3.15 4.57 -1.72 -1.99 114.58 119.10 1xmf h GLU 66 Ca 0.08 -0.28 0.01 0.00 -1.18 0.00 0.00 59.36 57.99 1xmf h GLU 66 Cb 0.36 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1xmf h GLU 66 CO -0.21 0.88 -0.03 -0.92 -1.18 0.00 0.00 179.01 177.55 1xmf h TYR 67 N 0.70 -0.07 -0.65 0.92 3.20 -0.84 -1.91 116.97 118.32 1xmf h TYR 67 Ca 0.11 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.06 1xmf h TYR 67 Cb 0.64 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.88 1xmf h TYR 67 CO 0.03 -0.04 0.33 0.00 -1.64 0.00 0.00 178.16 176.84 1xmf h ALA 68 N 0.98 0.87 -0.26 1.82 0.00 -0.96 -2.30 119.26 119.40 1xmf h ALA 68 Ca 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1xmf h ALA 68 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xmf h ALA 68 CO -0.04 -0.03 0.08 -0.09 0.00 0.00 0.00 179.25 179.16 1xmf h ARG 69 N 0.59 0.41 0.00 0.00 2.43 -1.04 0.23 114.38 117.00 1xmf h ARG 69 Ca 0.30 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1xmf h ARG 69 Cb 0.26 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1xmf h ARG 69 CO -0.22 0.48 -0.30 0.00 -1.51 0.00 0.00 179.97 178.41 1xmf h MET 70 N 0.26 0.00 0.05 0.20 -0.00 -1.16 -1.98 114.93 112.29 1xmf h MET 70 Ca 0.08 0.00 -0.25 0.00 -0.00 0.00 0.00 59.70 59.53 1xmf h MET 70 Cb 0.24 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.85 1xmf h MET 70 CO -0.00 0.30 -1.06 0.93 -0.00 0.00 0.00 176.91 177.08 1xmf h GLU 71 N 0.00 0.44 -0.53 -0.10 3.07 -1.23 -3.17 114.58 113.06 1xmf h GLU 71 Ca -0.00 -0.54 -0.10 0.00 -0.50 0.00 0.00 59.36 58.23 1xmf h GLU 71 Cb 0.58 0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.64 1xmf h GLU 71 CO 0.04 1.19 -0.05 0.00 -1.40 0.00 0.00 179.01 178.79 1xmf h ALA 72 N 0.61 0.91 -0.65 3.43 0.00 -0.53 -1.89 119.26 121.15 1xmf h ALA 72 Ca -0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1xmf h ALA 72 Cb 1.73 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 1xmf h ALA 72 CO 0.19 0.64 0.31 0.28 0.00 0.00 0.00 179.25 180.66 1xmf h VAL 73 N 0.85 1.21 -0.36 0.00 2.07 -1.44 -1.12 116.25 117.47 1xmf h VAL 73 Ca 0.15 -0.60 -0.15 0.00 0.82 0.00 0.00 66.70 66.92 1xmf h VAL 73 Cb 0.57 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1xmf h VAL 73 CO 0.03 0.25 -0.37 0.11 0.02 0.00 0.00 177.57 177.61 1xmf h LYS 74 N 0.91 0.86 -0.36 1.57 1.57 -1.44 -3.13 116.57 116.55 1xmf h LYS 74 Ca 0.22 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1xmf h LYS 74 Cb 0.10 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1xmf h LYS 74 CO -0.03 1.08 0.21 -0.44 -0.57 0.00 0.00 179.45 179.70 1xmf h ASP 75 N 0.70 0.44 -0.35 0.86 3.45 -0.78 -1.97 116.42 118.78 1xmf h ASP 75 Ca 0.06 -0.07 0.06 0.00 0.43 0.00 0.00 57.03 57.51 1xmf h ASP 75 Cb 0.94 -0.11 -0.08 0.00 -0.56 0.00 0.00 39.33 39.52 1xmf h ASP 75 CO 0.09 0.39 -0.44 -0.33 -1.57 0.00 0.00 179.24 177.38 1xmf h GLU 76 N 0.46 -0.35 0.11 3.56 5.08 -1.17 0.16 114.58 122.43 1xmf h GLU 76 Ca 0.13 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xmf h GLU 76 Cb 0.04 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1xmf h GLU 76 CO -0.02 -0.23 -0.09 0.00 -1.00 0.00 0.00 179.01 177.66 1xmf h ARG 77 N -0.37 -0.20 0.49 2.33 3.08 -1.49 0.80 114.38 119.02 1xmf h ARG 77 Ca 0.12 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1xmf h ARG 77 Cb 0.59 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1xmf h ARG 77 CO -0.54 -0.14 -0.49 0.37 -1.07 0.00 0.00 179.97 178.10 1xmf h GLN 78 N -0.21 -0.95 0.00 0.04 4.15 -0.83 0.08 115.11 117.39 1xmf h GLN 78 Ca 0.00 0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.41 1xmf h GLN 78 Cb 0.20 0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1xmf h GLN 78 CO -0.02 -0.63 -0.35 0.74 -1.93 0.00 0.00 178.83 176.64 1xmf h PHE 79 N -0.98 0.00 -0.10 3.99 -1.00 -0.74 -1.42 116.94 116.69 1xmf h PHE 79 Ca -0.06 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.71 1xmf h PHE 79 Cb 0.85 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.41 1xmf h PHE 79 CO -0.25 0.35 0.04 0.78 -1.61 0.00 0.00 178.31 177.62 1xmf h GLY 80 N 1.15 0.16 1.00 -1.45 0.00 -0.57 0.64 103.07 104.00 1xmf h GLY 80 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1xmf h GLY 80 CO 0.05 0.08 0.11 1.76 0.00 0.00 0.00 176.54 178.54 1xmf h SER 81 N 0.01 0.20 0.55 0.19 0.02 -0.63 -1.67 113.55 112.22 1xmf h SER 81 Ca 0.03 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1xmf h SER 81 Cb 0.17 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.67 1xmf h SER 81 CO -0.00 0.15 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.50 1xmf h LEU 82 N 0.23 -0.62 -1.25 5.07 3.38 -1.09 -1.29 115.31 119.73 1xmf h LEU 82 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1xmf h LEU 82 Cb -0.02 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1xmf h LEU 82 CO -0.01 -0.42 -0.31 1.56 0.09 0.00 0.00 178.44 179.35 1xmf h GLN 83 N -0.78 0.00 0.00 1.13 4.20 -0.91 -2.95 115.11 115.80 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 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1xmf h GLN 83 CO 0.12 0.31 0.00 -3.47 -0.67 0.00 0.00 178.83 175.12 1xmf n ASP 84 N -3.68 0.00 -0.11 1.46 4.64 -0.63 -4.55 116.55 113.68 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 0.42 0.00 0.02 0.00 -1.04 0.00 0.00 41.12 40.52 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 -1.85 0.37 -0.78 -1.67 0.00 -1.71 -1.08 119.26 112.56 1xmf h ALA 85 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xmf h ALA 85 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1xmf h ALA 85 CO 0.00 -0.36 0.40 -0.07 0.00 0.00 0.00 179.25 179.22 1xmf h LEU 86 N 0.15 0.98 -0.65 0.00 3.38 -1.41 -0.16 115.31 117.59 1xmf h LEU 86 Ca 0.18 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1xmf h LEU 86 Cb 0.24 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1xmf h LEU 86 CO -0.27 0.80 -0.16 0.74 0.09 0.00 0.00 178.44 179.64 1xmf h THR 87 N 1.09 1.27 -0.08 0.22 2.02 -1.27 -0.66 112.91 115.50 1xmf h THR 87 Ca 0.27 -1.29 -0.08 0.00 0.77 0.00 0.00 66.41 66.08 1xmf h THR 87 Cb 0.06 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1xmf h THR 87 CO -0.04 0.44 -0.33 -0.09 0.37 0.00 0.00 175.52 175.87 1xmf h ARG 88 N 0.79 0.15 -0.00 6.66 2.43 -0.50 -1.92 114.38 121.98 1xmf h ARG 88 Ca 0.12 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1xmf h ARG 88 Cb 0.70 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1xmf h ARG 88 CO 0.05 0.47 -0.07 1.28 -1.51 0.00 0.00 179.97 180.19 1xmf n LEU 89 N -4.11 0.53 -2.88 3.80 4.77 -0.14 -4.91 117.00 114.06 1xmf n LEU 89 Ca -0.01 -0.06 -0.20 0.00 -0.03 0.00 0.00 56.01 55.70 1xmf n LEU 89 Cb 0.40 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1xmf n LEU 89 CO 0.40 0.09 0.08 -3.20 -1.33 0.00 0.00 177.39 173.44 1xmf n ASN 90 N -0.81 -5.70 0.30 -1.43 4.05 -0.72 -4.87 115.26 106.07 1xmf n ASN 90 Ca 0.17 -0.34 0.16 0.00 0.45 0.00 0.00 54.58 55.02 1xmf n ASN 90 Cb 0.26 -4.45 0.93 0.00 1.23 0.00 0.00 39.78 37.75 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 0.89 1.32 0.00 5.20 0.00 -1.37 -1.31 119.26 123.98 1xmf h ALA 91 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1xmf h ALA 91 Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xmf h ALA 91 CO 0.50 0.04 0.00 0.78 0.00 0.00 0.00 179.25 180.57 1xmf h GLY 92 N 0.30 0.00 0.00 0.00 0.00 -1.82 -3.35 103.07 98.20 1xmf h GLY 92 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1xmf h GLY 92 CO 0.00 0.00 -2.31 -0.62 0.00 0.00 0.00 176.54 173.61 1xmf n VAL 93 N -2.87 1.31 -0.66 4.60 0.31 -0.53 -4.02 118.33 116.47 1xmf n VAL 93 Ca 0.02 -0.43 -0.11 0.00 -0.01 0.00 0.00 64.34 63.80 1xmf n VAL 93 Cb 0.34 -1.50 -0.09 0.00 -0.91 0.00 0.00 33.84 31.68 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 -3.52 1.46 -4.39 5.55 1.74 -1.01 -4.77 116.66 111.72 1xmf n ARG 94 Ca -0.43 -0.81 -0.27 0.00 -0.77 0.00 0.00 57.85 55.56 1xmf n ARG 94 Cb 0.89 -1.95 -0.13 0.00 -1.02 0.00 0.00 32.46 30.25 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 2.06 2.08 0.25 1.55 1.01 -1.26 -4.60 120.40 121.49 1xmf s VAL 95 Ca 0.42 -1.66 -0.30 0.00 0.00 0.00 0.00 61.98 60.44 1xmf s VAL 95 Cb 0.18 -1.85 -0.10 0.00 0.00 0.00 0.00 36.38 34.62 1xmf s VAL 95 CO -0.01 0.06 1.37 -2.28 0.00 0.00 0.00 175.10 174.25 1xmf s HIS 96 N -1.07 3.10 0.28 5.22 2.46 -0.46 -4.84 115.29 119.98 1xmf s HIS 96 Ca 0.11 1.17 0.01 0.00 0.47 0.00 0.00 55.06 56.83 1xmf s HIS 96 Cb -0.10 -3.72 0.67 0.00 -0.13 0.00 0.00 32.58 29.30 1xmf s HIS 96 CO 0.05 -2.25 1.67 -1.35 -2.47 0.00 0.00 174.74 170.39 1xmf h PRO 97 N 4.76 0.27 -0.94 2.88 0.11 -1.92 0.71 132.00 137.87 1xmf h PRO 97 Ca -0.46 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1xmf h PRO 97 Cb 1.22 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 1xmf h PRO 97 CO 0.75 0.18 0.62 0.87 -0.21 0.00 0.00 178.00 180.21 1xmf h LYS 98 N 0.28 1.22 -0.11 1.05 1.57 -1.91 -2.43 116.57 116.25 1xmf h LYS 98 Ca 0.53 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 59.06 1xmf h LYS 98 Cb 1.02 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1xmf h LYS 98 CO -0.59 0.81 -0.66 2.35 -0.57 0.00 0.00 179.45 180.79 1xmf h TRP 99 N 1.26 0.58 -0.94 -1.35 2.91 -0.79 -0.93 115.95 116.70 1xmf h TRP 99 Ca 0.35 -0.24 0.05 0.00 1.13 0.00 0.00 58.89 60.18 1xmf h TRP 99 Cb -0.12 -0.10 -0.06 0.00 -0.51 0.00 0.00 29.16 28.38 1xmf h TRP 99 CO -0.00 0.97 0.60 -0.97 -1.03 0.00 0.00 178.44 178.01 1xmf h ASN 100 N 0.32 0.98 -0.05 2.65 -0.73 -0.79 -1.02 115.58 116.95 1xmf h ASN 100 Ca -0.02 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.13 1xmf h ASN 100 Cb 1.21 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 39.59 1xmf h ASN 100 CO 0.12 0.65 -0.05 -0.33 -0.37 0.00 0.00 177.43 177.45 1xmf h GLU 101 N 1.14 0.12 -0.92 6.67 4.39 -1.23 -3.22 114.58 121.53 1xmf h GLU 101 Ca 0.39 -0.06 0.16 0.00 0.34 0.00 0.00 59.36 60.18 1xmf h GLU 101 Cb 0.07 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.63 1xmf h GLU 101 CO -0.14 0.58 0.52 1.15 -1.16 0.00 0.00 179.01 179.95 1xmf h THR 102 N -0.33 0.74 0.00 1.13 2.02 -0.74 -0.41 112.91 115.31 1xmf h THR 102 Ca 0.01 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1xmf h THR 102 Cb 0.55 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1xmf h THR 102 CO 0.01 0.13 0.00 0.24 0.37 0.00 0.00 175.52 176.27 1xmf h MET 103 N 0.71 0.00 -0.46 6.66 2.86 -1.21 0.27 114.93 123.76 1xmf h MET 103 Ca 0.51 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 58.06 1xmf h MET 103 Cb 0.73 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1xmf h MET 103 CO -0.36 0.00 -0.05 0.87 1.06 0.00 0.00 176.91 178.42 1xmf h LYS 104 N 0.00 0.85 0.04 1.72 1.57 -1.09 -1.52 116.57 118.14 1xmf h LYS 104 Ca 0.00 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1xmf h LYS 104 Cb 0.31 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1xmf h LYS 104 CO 0.00 0.93 -0.02 0.28 -0.57 0.00 0.00 179.45 180.07 1xmf h VAL 105 N 0.69 1.31 0.15 0.50 2.07 -1.41 -2.99 116.25 116.58 1xmf h VAL 105 Ca 0.12 -1.67 0.02 0.00 0.82 0.00 0.00 66.70 65.99 1xmf h VAL 105 Cb 0.58 2.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 1xmf h VAL 105 CO 0.03 0.39 -0.29 0.58 0.02 0.00 0.00 177.57 178.31 1xmf h VAL 106 N -0.86 0.38 -0.07 2.57 2.07 -1.02 0.11 116.25 119.44 1xmf h VAL 106 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1xmf h VAL 106 Cb 0.68 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1xmf h VAL 106 CO 0.01 0.00 0.04 -1.28 0.02 0.00 0.00 177.57 176.36 1xmf h SER 107 N -0.52 0.09 -0.11 0.57 0.87 -1.44 -1.06 113.55 111.95 1xmf h SER 107 Ca 0.02 -0.10 -0.15 0.00 -1.23 0.00 0.00 61.79 60.34 1xmf h SER 107 Cb 0.53 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1xmf h SER 107 CO -0.15 0.16 -0.43 -1.13 -0.53 0.00 0.00 176.83 174.76 1xmf h ASN 108 N 0.01 0.70 -0.46 6.23 -1.24 -1.47 0.49 115.58 119.85 1xmf h ASN 108 Ca 0.02 -0.33 -0.14 0.00 0.71 0.00 0.00 56.30 56.57 1xmf h ASN 108 Cb 0.10 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 1xmf h ASN 108 CO -0.00 1.04 -0.26 -0.26 -1.29 0.00 0.00 177.43 176.65 1xmf h PHE 109 N 0.53 1.15 0.00 0.67 -1.00 -0.75 -2.18 116.94 115.36 1xmf h PHE 109 Ca 0.04 -0.30 -0.08 0.00 2.81 0.00 0.00 57.97 60.44 1xmf h PHE 109 Cb 0.96 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 40.25 1xmf h PHE 109 CO 0.04 1.13 -0.38 -0.07 -1.61 0.00 0.00 178.31 177.43 1xmf h LEU 110 N 0.83 0.00 -0.82 1.54 3.38 -1.10 -2.73 115.31 116.42 1xmf h LEU 110 Ca 0.10 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1xmf h LEU 110 Cb 0.85 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1xmf h LEU 110 CO 0.08 0.38 0.53 -0.08 0.09 0.00 0.00 178.44 179.44 1xmf h GLU 111 N 0.00 1.04 0.00 1.13 4.81 -0.26 0.58 114.58 121.87 1xmf h GLU 111 Ca -0.00 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.04 1xmf h GLU 111 Cb 0.75 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1xmf h GLU 111 CO 0.05 0.69 -0.60 -0.24 -0.73 0.00 0.00 179.01 178.18 1xmf h VAL 112 N 1.07 1.33 -0.51 0.32 3.04 -1.19 0.11 116.25 120.42 1xmf h VAL 112 Ca 0.31 -2.12 -0.12 0.00 -1.01 0.00 0.00 66.70 63.76 1xmf h VAL 112 Cb -0.07 2.18 -0.02 0.00 -2.01 0.00 0.00 31.29 31.37 1xmf h VAL 112 CO -0.08 0.59 -0.14 1.23 -1.01 0.00 0.00 177.57 178.15 1xmf h GLY 113 N 2.08 1.06 0.72 3.17 0.00 -1.08 0.39 103.07 109.40 1xmf h GLY 113 Ca -0.01 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.45 1xmf h GLY 113 CO 0.08 0.79 -0.11 0.83 0.00 0.00 0.00 176.54 178.13 1xmf h GLU 114 N 0.86 -0.29 -0.42 4.80 4.39 -0.55 -1.78 114.58 121.59 1xmf h GLU 114 Ca 0.13 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.92 1xmf h GLU 114 Cb 0.70 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.35 1xmf h GLU 114 CO 0.05 0.00 0.02 -0.92 -1.16 0.00 0.00 179.01 177.01 1xmf h TYR 115 N -0.59 0.02 0.00 4.33 5.03 -0.62 -1.03 116.97 124.11 1xmf h TYR 115 Ca -0.03 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.25 1xmf h TYR 115 Cb 0.43 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.76 1xmf h TYR 115 CO 0.02 -0.06 -0.30 -0.91 -1.32 0.00 0.00 178.16 175.58 1xmf h ASN 116 N 0.13 0.00 0.40 -2.11 4.21 -0.92 -0.80 115.58 116.50 1xmf h ASN 116 Ca 0.21 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.69 1xmf h ASN 116 Cb 0.29 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.49 1xmf h ASN 116 CO -0.33 0.30 -0.13 0.00 -1.29 0.00 0.00 177.43 175.99 1xmf h ALA 117 N 1.70 1.27 0.55 -0.83 0.00 -0.28 -0.37 119.26 121.31 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 0.61 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1xmf h ALA 117 CO 0.04 0.16 -0.26 0.82 0.00 0.00 0.00 179.25 180.01 1xmf h ILE 118 N 0.00 0.42 -0.82 0.00 2.04 -0.64 -0.52 117.51 117.98 1xmf h ILE 118 Ca -0.00 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1xmf h ILE 118 Cb 0.37 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1xmf h ILE 118 CO 0.02 0.03 0.36 0.00 0.00 0.00 0.00 178.15 178.56 1xmf h ALA 119 N -0.50 1.06 -0.58 1.87 0.00 -1.49 -1.76 119.26 117.87 1xmf h ALA 119 Ca -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1xmf h ALA 119 Cb 0.62 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1xmf h ALA 119 CO 0.12 0.66 0.27 0.00 0.00 0.00 0.00 179.25 180.30 1xmf h ALA 120 N 1.19 0.74 0.00 0.00 0.00 -0.99 -1.61 119.26 118.60 1xmf h ALA 120 Ca 0.28 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1xmf h ALA 120 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xmf h ALA 120 CO -0.03 0.32 -0.34 1.79 0.00 0.00 0.00 179.25 180.99 1xmf h THR 121 N 0.79 0.74 -0.29 0.00 1.35 -0.93 -1.27 112.91 113.30 1xmf h THR 121 Ca 0.20 -1.50 -0.09 0.00 -0.55 0.00 0.00 66.41 64.47 1xmf h THR 121 Cb 0.14 1.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 1xmf h THR 121 CO -0.02 0.33 -0.19 1.23 -0.25 0.00 0.00 175.52 176.62 1xmf h GLY 122 N 2.37 0.57 1.38 5.82 0.00 -0.80 0.27 103.07 112.68 1xmf h GLY 122 Ca -0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 47.33 46.73 1xmf h GLY 122 CO 0.04 0.40 -0.53 1.98 0.00 0.00 0.00 176.54 178.44 1xmf h MET 123 N 0.47 0.66 -0.39 4.80 -1.53 -0.68 -1.66 114.93 116.60 1xmf h MET 123 Ca 0.08 -0.40 -0.13 0.00 -3.44 0.00 0.00 59.70 55.81 1xmf h MET 123 Cb 0.60 0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.68 1xmf h MET 123 CO 0.04 1.02 -0.27 -0.07 0.14 0.00 0.00 176.91 177.77 1xmf h LEU 124 N 0.51 0.83 -0.91 3.39 3.38 -0.68 -1.24 115.31 120.59 1xmf h LEU 124 Ca 0.02 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1xmf h LEU 124 Cb 1.08 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1xmf h LEU 124 CO 0.11 1.05 0.56 -0.25 0.09 0.00 0.00 178.44 180.00 1xmf h TRP 125 N 0.69 1.19 -0.39 1.13 7.01 -0.27 0.11 115.95 125.42 1xmf h TRP 125 Ca 0.09 0.00 -0.13 0.00 2.11 0.00 0.00 58.89 60.96 1xmf h TRP 125 Cb 0.80 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 27.45 1xmf h TRP 125 CO 0.04 0.79 -0.26 0.22 -2.79 0.00 0.00 178.44 176.44 1xmf h ASP 126 N 1.25 0.84 -0.19 2.65 1.82 -0.95 -3.22 116.42 118.63 1xmf h ASP 126 Ca 0.33 -0.32 -0.04 0.00 -0.39 0.00 0.00 57.03 56.61 1xmf h ASP 126 Cb -0.07 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.70 1xmf h ASP 126 CO -0.06 1.06 -0.02 0.28 -1.61 0.00 0.00 179.24 178.88 1xmf h SER 127 N 0.70 0.34 -3.56 2.28 0.02 -0.55 -3.40 113.55 109.38 1xmf h SER 127 Ca 0.09 -0.34 -0.56 0.00 -0.84 0.00 0.00 61.79 60.14 1xmf h SER 127 Cb 0.80 -0.09 0.12 0.00 0.14 0.00 0.00 62.40 63.36 1xmf h SER 127 CO 0.07 0.60 0.56 0.00 -1.14 0.00 0.00 176.83 176.91 1xmf n ALA 128 N -2.34 1.52 -0.04 3.77 0.00 -0.04 -4.77 120.51 118.62 1xmf n ALA 128 Ca -0.05 0.30 -0.02 0.00 0.00 0.00 0.00 53.44 53.68 1xmf n ALA 128 Cb 0.25 -2.30 -0.09 0.00 0.00 0.00 0.00 19.45 17.31 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 0.25 1.61 -2.61 0.00 1.13 -1.26 -4.81 117.38 111.69 1xmf n GLN 129 Ca 0.05 -0.04 -0.42 0.00 -1.94 0.00 0.00 57.00 54.66 1xmf n GLN 129 Cb 0.38 -1.28 -0.03 0.00 0.11 0.00 0.00 30.24 29.42 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 -2.45 3.27 0.37 -1.58 0.00 -1.26 -4.88 121.76 115.23 1xmf s ALA 130 Ca -0.05 0.67 0.09 0.00 0.00 0.00 0.00 51.96 52.67 1xmf s ALA 130 Cb 0.05 -3.36 0.82 0.00 0.00 0.00 0.00 23.12 20.63 1xmf s ALA 130 CO 0.47 -0.23 1.91 0.00 0.00 0.00 0.00 175.76 177.90 1xmf h ALA 131 N 6.24 1.82 -0.35 0.00 0.00 -1.84 -1.10 119.26 124.04 1xmf h ALA 131 Ca -0.42 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 1xmf h ALA 131 Cb 1.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1xmf h ALA 131 CO 0.75 -0.01 -0.37 0.93 0.00 0.00 0.00 179.25 180.55 1xmf h GLU 132 N 0.68 0.83 -0.10 0.00 5.08 -1.84 0.26 114.58 119.49 1xmf h GLU 132 Ca 0.39 -0.42 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1xmf h GLU 132 Cb 0.57 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1xmf h GLU 132 CO -0.16 1.06 -0.47 0.37 -1.00 0.00 0.00 179.01 178.81 1xmf h GLN 133 N 0.68 0.25 -0.45 2.33 4.15 -1.50 -0.80 115.11 119.77 1xmf h GLN 133 Ca 0.06 -0.13 -0.13 0.00 0.77 0.00 0.00 58.65 59.22 1xmf h GLN 133 Cb 0.94 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 1xmf h GLN 133 CO 0.09 0.67 -0.23 0.87 -1.93 0.00 0.00 178.83 178.29 1xmf h LYS 134 N 0.20 0.93 -0.41 1.69 1.57 -0.98 -2.73 116.57 116.84 1xmf h LYS 134 Ca 0.01 -0.40 -0.10 0.00 -1.87 0.00 0.00 60.65 58.29 1xmf h LYS 134 Cb 0.91 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1xmf h LYS 134 CO 0.07 1.06 -0.17 -0.97 -0.57 0.00 0.00 179.45 178.87 1xmf h ASN 135 N 0.80 0.77 -0.38 0.86 -1.24 -0.58 -0.52 115.58 115.29 1xmf h ASN 135 Ca 0.10 -0.25 -0.01 0.00 0.71 0.00 0.00 56.30 56.85 1xmf h ASN 135 Cb 0.79 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.62 1xmf h ASN 135 CO 0.07 0.94 0.20 1.23 -1.29 0.00 0.00 177.43 178.58 1xmf h GLY 136 N 0.97 0.57 1.44 1.57 0.00 -1.01 -2.28 103.07 104.32 1xmf h GLY 136 Ca 0.10 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 1xmf h GLY 136 CO 0.05 0.25 -0.14 -0.97 0.00 0.00 0.00 176.54 175.72 1xmf h TYR 137 N 0.48 0.73 -0.56 5.60 0.99 -1.30 -2.91 116.97 120.00 1xmf h TYR 137 Ca 0.13 -0.13 0.03 0.00 2.00 0.00 0.00 58.73 60.76 1xmf h TYR 137 Cb 0.07 -0.19 -0.04 0.00 1.00 0.00 0.00 36.73 37.57 1xmf h TYR 137 CO -0.02 0.77 0.33 1.25 -0.00 0.00 0.00 178.16 180.49 1xmf h LEU 138 N 0.60 0.53 -0.95 3.88 5.85 -0.73 0.20 115.31 124.70 1xmf h LEU 138 Ca 0.10 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1xmf h LEU 138 Cb 0.59 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 1xmf h LEU 138 CO 0.04 0.37 0.62 0.00 -0.34 0.00 0.00 178.44 179.13 1xmf h ALA 139 N 1.26 1.26 -0.40 1.25 0.00 -1.26 -1.66 119.26 119.71 1xmf h ALA 139 Ca 0.23 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1xmf h ALA 139 Cb 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1xmf h ALA 139 CO -0.11 0.49 -0.24 0.37 0.00 0.00 0.00 179.25 179.76 1xmf h GLN 140 N 1.19 0.80 -0.61 0.00 4.15 -0.99 -0.21 115.11 119.44 1xmf h GLN 140 Ca 0.38 -0.33 0.04 0.00 0.77 0.00 0.00 58.65 59.51 1xmf h GLN 140 Cb 0.02 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.63 1xmf h GLN 140 CO -0.13 0.96 0.35 0.28 -1.93 0.00 0.00 178.83 178.36 1xmf h VAL 141 N 0.70 1.02 -0.02 2.39 2.07 0.24 0.17 116.25 122.82 1xmf h VAL 141 Ca 0.09 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.26 1xmf h VAL 141 Cb 0.76 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1xmf h VAL 141 CO 0.06 0.12 -0.56 -0.07 0.02 0.00 0.00 177.57 177.15 1xmf h LEU 142 N 0.68 0.08 -0.28 2.57 -0.00 -1.12 -2.83 115.31 114.40 1xmf h LEU 142 Ca 0.26 -0.04 -0.12 0.00 -0.00 0.00 0.00 57.88 57.97 1xmf h LEU 142 Cb 0.09 -0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 40.72 1xmf h LEU 142 CO -0.13 0.62 -0.31 0.44 -0.00 0.00 0.00 178.44 179.06 1xmf h ASP 143 N 0.05 0.75 0.62 -0.43 3.32 0.10 -2.25 116.42 118.58 1xmf h ASP 143 Ca -0.00 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 1xmf h ASP 143 Cb 1.00 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 1xmf h ASP 143 CO 0.08 1.08 -0.08 -0.33 -1.72 0.00 0.00 179.24 178.27 1xmf h GLU 144 N 0.44 0.00 0.04 3.56 4.39 -0.64 0.17 114.58 122.54 1xmf h GLU 144 Ca 0.04 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.51 1xmf h GLU 144 Cb 0.89 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.56 1xmf h GLU 144 CO 0.08 0.08 -0.91 0.82 -1.16 0.00 0.00 179.01 177.92 1xmf h ILE 145 N 0.00 1.35 -0.23 3.13 2.04 -1.35 -1.77 117.51 120.68 1xmf h ILE 145 Ca -0.00 -2.25 0.04 0.00 1.00 0.00 0.00 64.86 63.65 1xmf h ILE 145 Cb 0.41 2.59 -0.04 0.00 -0.74 0.00 0.00 36.82 39.04 1xmf h ILE 145 CO 0.01 0.68 -0.00 -0.09 0.00 0.00 0.00 178.15 178.74 1xmf h ARG 146 N 0.13 0.07 -0.75 2.37 2.43 -0.65 -1.20 114.38 116.78 1xmf h ARG 146 Ca -0.12 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1xmf h ARG 146 Cb 1.60 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 31.10 1xmf h ARG 146 CO 0.18 0.05 0.46 0.45 -1.51 0.00 0.00 179.97 179.59 1xmf h HIS 147 N 0.07 0.97 0.13 2.20 3.86 -0.71 0.23 115.15 121.90 1xmf h HIS 147 Ca 0.11 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1xmf h HIS 147 Cb 0.14 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.29 1xmf h HIS 147 CO -0.19 0.64 -0.06 1.15 0.86 0.00 0.00 177.93 180.33 1xmf h THR 148 N 1.03 0.88 0.00 2.45 2.02 -0.60 -0.30 112.91 118.39 1xmf h THR 148 Ca 0.27 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 1xmf h THR 148 Cb -0.06 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1xmf h THR 148 CO -0.05 0.01 -0.15 0.45 0.37 0.00 0.00 175.52 176.14 1xmf h HIS 149 N -0.18 0.00 0.00 3.16 -0.00 -0.51 -0.46 115.15 117.16 1xmf h HIS 149 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.24 1xmf h HIS 149 Cb 0.14 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.56 1xmf h HIS 149 CO -0.07 0.15 -0.45 1.96 -0.00 0.00 0.00 177.93 179.53 1xmf h GLN 150 N 0.00 0.30 -0.45 2.45 4.20 -0.07 -1.53 115.11 120.00 1xmf h GLN 150 Ca -0.00 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.33 1xmf h GLN 150 Cb 0.34 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1xmf h GLN 150 CO 0.02 1.03 0.05 0.00 -0.67 0.00 0.00 178.83 179.26 1xmf h ALA 152 N 1.37 1.31 -0.10 0.00 0.00 -1.07 -2.60 119.26 118.18 1xmf h ALA 152 Ca 0.14 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1xmf h ALA 152 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xmf h ALA 152 CO 0.01 0.46 -0.46 -0.92 0.00 0.00 0.00 179.25 178.34 1xmf h TYR 153 N 0.49 0.28 -0.15 0.00 3.20 -0.11 -0.03 116.97 120.64 1xmf h TYR 153 Ca 0.10 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1xmf h TYR 153 Cb 0.40 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1xmf h TYR 153 CO 0.01 0.65 0.06 0.28 -1.64 0.00 0.00 178.16 177.53 1xmf h VAL 154 N 0.19 1.15 -0.46 1.81 2.07 -0.99 0.43 116.25 120.44 1xmf h VAL 154 Ca 0.01 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1xmf h VAL 154 Cb 0.89 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1xmf h VAL 154 CO 0.07 0.14 0.17 0.78 0.02 0.00 0.00 177.57 178.75 1xmf h ASN 155 N 0.10 0.64 -0.74 0.57 -0.26 -1.39 0.00 115.58 114.50 1xmf h ASN 155 Ca 0.05 -0.18 0.04 0.00 -0.56 0.00 0.00 56.30 55.65 1xmf h ASN 155 Cb 0.16 -0.17 -0.05 0.00 -1.06 0.00 0.00 38.32 37.21 1xmf h ASN 155 CO -0.00 0.64 0.46 0.22 -1.06 0.00 0.00 177.43 177.69 1xmf h TYR 156 N 0.60 0.86 -0.16 1.19 5.03 -0.71 0.17 116.97 123.95 1xmf h TYR 156 Ca 0.15 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.41 1xmf h TYR 156 Cb 0.21 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 38.21 1xmf h TYR 156 CO 0.00 0.48 -0.20 -0.92 -1.32 0.00 0.00 178.16 176.20 1xmf h TYR 157 N 0.89 0.52 0.00 -3.82 5.03 0.18 -1.59 116.97 118.18 1xmf h TYR 157 Ca 0.30 -0.16 -0.02 0.00 2.58 0.00 0.00 58.73 61.43 1xmf h TYR 157 Cb 0.05 -0.10 -0.00 0.00 1.55 0.00 0.00 36.73 38.22 1xmf h TYR 157 CO -0.04 0.83 -0.11 0.74 -1.32 0.00 0.00 178.16 178.25 1xmf h PHE 158 N 0.06 0.00 0.17 -3.82 0.05 -0.77 -0.01 116.94 112.62 1xmf h PHE 158 Ca 0.02 0.00 -0.31 0.00 3.82 0.00 0.00 57.97 61.50 1xmf h PHE 158 Cb 0.76 0.00 0.03 0.00 2.00 0.00 0.00 35.95 38.74 1xmf h PHE 158 CO 0.09 0.11 -1.34 0.00 -0.18 0.00 0.00 178.31 177.00 1xmf h ALA 159 N 1.89 -0.05 -0.20 2.45 0.00 -0.85 0.15 119.26 122.65 1xmf h ALA 159 Ca -0.00 -0.82 -0.18 0.00 0.00 0.00 0.00 54.91 53.91 1xmf h ALA 159 Cb 0.46 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xmf h ALA 159 CO 0.01 0.73 -0.56 -0.22 0.00 0.00 0.00 179.25 179.21 1xmf h LYS 160 N 0.20 0.74 -0.01 0.00 3.64 -0.83 -3.38 116.57 116.93 1xmf h LYS 160 Ca -0.21 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.65 1xmf h LYS 160 Cb 2.02 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.92 1xmf h LYS 160 CO 0.25 1.15 -0.03 0.09 -2.27 0.00 0.00 179.45 178.63 1xmf n ASN 161 N -4.09 1.36 -4.28 4.20 4.13 -0.06 -5.07 115.26 111.45 1xmf n ASN 161 Ca -0.06 -1.18 -0.28 0.00 1.68 0.00 0.00 54.58 54.74 1xmf n ASN 161 Cb 0.63 0.13 0.16 0.00 -1.54 0.00 0.00 39.78 39.16 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 -0.65 1.78 0.18 7.41 0.00 0.53 -3.88 107.32 112.69 1xmf s GLY 162 Ca 0.07 -1.38 0.26 0.00 0.00 0.00 0.00 44.72 43.66 1xmf s GLY 162 CO 0.10 -0.67 1.75 0.61 0.00 0.00 0.00 173.10 174.89 1xmf n GLN 163 N -3.49 0.24 -3.21 2.90 10.64 -1.26 -4.61 117.38 118.59 1xmf n GLN 163 Ca 0.15 0.18 0.01 0.00 -1.83 0.00 0.00 57.00 55.52 1xmf n GLN 163 Cb 0.60 -1.77 -0.01 0.00 -0.86 0.00 0.00 30.24 28.20 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 -4.36 -1.44 0.32 2.61 2.15 -1.26 -5.05 116.67 109.64 1xmf s ASP 164 Ca 0.11 -0.62 0.01 0.00 0.43 0.00 0.00 52.55 52.48 1xmf s ASP 164 Cb 0.13 1.92 0.54 0.00 -0.30 0.00 0.00 42.92 45.21 1xmf s ASP 164 CO 0.60 -0.20 1.91 -0.65 -0.17 0.00 0.00 175.17 176.67 1xmf h PRO 165 N 7.20 0.77 -6.50 4.34 0.11 -1.80 -3.42 132.00 132.70 1xmf h PRO 165 Ca 0.04 -0.11 -0.59 0.00 0.11 0.00 0.00 66.00 65.44 1xmf h PRO 165 Cb 1.18 -0.14 0.07 0.00 0.11 0.00 0.00 31.00 32.21 1xmf h PRO 165 CO 0.11 0.63 0.69 0.00 -0.21 0.00 0.00 178.00 179.22 1xmf n ALA 166 N -2.46 0.98 0.00 -0.75 0.00 -1.26 0.28 120.51 117.30 1xmf n ALA 166 Ca 0.04 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1xmf n ALA 166 Cb 0.15 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.31 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 2.89 2.78 0.24 0.00 0.00 -1.26 -4.65 105.19 105.20 1xmf n GLY 167 Ca 0.15 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 0.95 0.00 1.61 -0.00 -1.13 -1.13 115.15 115.44 1xmf h HIS 168 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 1xmf h HIS 168 Cb 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.22 1xmf h HIS 168 CO 0.00 1.11 -0.05 0.27 -0.00 0.00 0.00 177.93 179.26 1xmf n ASN 169 N -4.01 0.76 -0.66 2.45 0.23 0.14 -4.33 115.26 109.85 1xmf n ASN 169 Ca -0.03 0.53 0.00 0.00 -0.53 0.00 0.00 54.58 54.55 1xmf n ASN 169 Cb 0.59 -0.70 -0.00 0.00 -2.08 0.00 0.00 39.78 37.59 1xmf n ASN 169 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1xmf n ASP 170 N -2.21 0.08 -0.30 0.53 5.68 -1.22 -4.91 116.55 114.21 1xmf n ASP 170 Ca 0.05 -1.77 0.24 0.00 -0.50 0.00 0.00 54.79 52.82 1xmf n ASP 170 Cb 0.43 -0.14 0.56 0.00 -1.14 0.00 0.00 41.12 40.83 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 0.14 2.40 0.00 2.12 0.00 -1.39 0.70 119.26 123.23 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 1.37 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1xmf h ALA 171 CO -0.00 -0.76 0.02 0.00 0.00 0.00 0.00 179.25 178.51 1xmf h ARG 172 N 0.31 0.00 0.00 0.00 3.08 -1.91 0.11 114.38 115.98 1xmf h ARG 172 Ca 0.55 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.57 1xmf h ARG 172 Cb 1.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.61 1xmf h ARG 172 CO -0.21 0.00 -1.13 2.89 -1.07 0.00 0.00 179.97 180.46 1xmf n ARG 173 N -2.84 2.91 0.12 0.04 1.85 0.05 -4.67 116.66 114.13 1xmf n ARG 173 Ca -0.03 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.96 1xmf n ARG 173 Cb 0.08 -1.05 0.41 0.00 -1.05 0.00 0.00 32.46 30.85 1xmf n ARG 173 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1xmf h THR 174 N 0.00 0.00 0.00 8.89 1.35 -0.87 -3.07 112.91 119.21 1xmf h THR 174 Ca -0.05 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1xmf h THR 174 Cb 1.11 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1xmf h THR 174 CO 0.00 0.00 0.00 0.08 -0.25 0.00 0.00 175.52 175.35 1xmf h ARG 175 N 0.00 0.00 0.00 4.72 -0.00 -0.99 -2.92 114.38 115.19 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 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.66 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 -3.05 0.46 0.04 0.08 -2.24 -1.16 -3.47 114.28 104.93 1xmf n THR 176 Ca 0.00 0.11 -0.19 0.00 -2.27 0.00 0.00 64.05 61.70 1xmf n THR 176 Cb 0.26 -0.74 -0.13 0.00 -2.10 0.00 0.00 70.33 67.63 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 1.44 -3.63 2.28 2.04 -1.74 -3.47 117.51 114.43 1xmf h ILE 177 Ca 0.00 -2.33 -0.49 0.00 1.00 0.00 0.00 64.86 63.04 1xmf h ILE 177 Cb 0.35 2.86 0.03 0.00 -0.74 0.00 0.00 36.82 39.31 1xmf h ILE 177 CO 0.00 0.67 0.12 -0.83 0.00 0.00 0.00 178.15 178.12 1xmf s GLY 178 N -4.28 1.61 0.27 5.37 0.00 0.27 -4.91 107.32 105.66 1xmf s GLY 178 Ca -0.13 -0.42 0.12 0.00 0.00 0.00 0.00 44.72 44.30 1xmf s GLY 178 CO 0.85 -0.24 1.58 -0.56 0.00 0.00 0.00 173.10 174.73 1xmf h PRO 179 N 0.46 0.00 -0.24 2.90 0.13 -1.88 -3.28 132.00 130.09 1xmf h PRO 179 Ca -0.47 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.61 0.16 -0.07 -0.23 0.00 0.00 178.00 179.10 1xmf h LEU 180 N 0.00 0.20 -1.11 1.56 3.38 -1.92 -2.74 115.31 114.67 1xmf h LEU 180 Ca -0.01 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1xmf h LEU 180 Cb 1.16 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1xmf h LEU 180 CO 0.08 0.14 0.15 -0.25 0.09 0.00 0.00 178.44 178.66 1xmf h TRP 181 N 0.24 0.79 -0.55 1.13 -0.00 -1.81 -3.17 115.95 112.58 1xmf h TRP 181 Ca 0.10 -0.06 0.03 0.00 -0.00 0.00 0.00 58.89 58.96 1xmf h TRP 181 Cb 0.11 -0.24 -0.04 0.00 -0.00 0.00 0.00 29.16 28.99 1xmf h TRP 181 CO -0.00 0.65 0.32 0.87 -0.00 0.00 0.00 178.44 180.29 1xmf h LYS 182 N 0.76 0.62 0.00 2.65 1.79 -1.68 -1.56 116.57 119.15 1xmf h LYS 182 Ca 0.17 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.58 1xmf h LYS 182 Cb 0.24 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1xmf h LYS 182 CO -0.01 0.41 -0.14 0.78 -1.08 0.00 0.00 179.45 179.42 1xmf h GLY 183 N 0.64 0.00 1.22 3.86 0.00 -1.68 -2.63 103.07 104.48 1xmf h GLY 183 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.39 1xmf h GLY 183 CO -0.11 0.00 -0.45 1.98 0.00 0.00 0.00 176.54 177.97 1xmf h MET 184 N 0.00 0.84 0.00 4.80 1.85 -1.32 -2.61 114.93 118.49 1xmf h MET 184 Ca -0.00 -0.47 -0.00 0.00 -0.61 0.00 0.00 59.70 58.61 1xmf h MET 184 Cb 0.51 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.57 1xmf h MET 184 CO 0.02 1.11 -0.02 0.87 -0.40 0.00 0.00 176.91 178.48 1xmf h LYS 185 N 0.67 0.00 0.00 0.39 1.57 -1.16 -1.45 116.57 116.58 1xmf h LYS 185 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1xmf h LYS 185 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1xmf h LYS 185 CO 0.10 0.02 -0.04 -0.09 -0.57 0.00 0.00 179.45 178.87 1xmf h ARG 186 N 0.00 0.02 0.11 3.15 1.12 -1.37 1.87 114.38 119.28 1xmf h ARG 186 Ca -0.00 -0.03 -0.29 0.00 -1.11 0.00 0.00 59.98 58.55 1xmf h ARG 186 Cb 0.47 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.43 1xmf h ARG 186 CO 0.00 0.84 -1.39 -0.39 -3.11 0.00 0.00 179.97 175.92 1xmf h VAL 187 N -0.77 1.31 -0.14 0.20 -1.51 -1.49 0.64 116.25 114.49 1xmf h VAL 187 Ca -0.01 -2.93 0.00 0.00 -1.23 0.00 0.00 66.70 62.53 1xmf h VAL 187 Cb 0.85 2.83 0.00 0.00 -2.13 0.00 0.00 31.29 32.84 1xmf h VAL 187 CO 0.01 0.85 0.00 0.49 -1.23 0.00 0.00 177.57 177.68 1xmf n PHE 188 N -3.47 0.32 0.00 5.19 3.01 -0.55 -4.33 117.46 117.64 1xmf n PHE 188 Ca -0.12 -0.71 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 -0.51 0.00 -0.10 4.37 7.64 -0.69 -3.73 113.62 120.61 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 0.04 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 0.86 0.60 6.43 3.32 0.27 -1.90 116.42 126.01 1xmf h ASP 190 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1xmf h ASP 190 Cb 0.00 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1xmf h ASP 190 CO 0.00 1.09 0.00 1.23 -1.72 0.00 0.00 179.24 179.84 1xmf h GLY 191 N 0.92 0.00 1.07 2.75 0.00 0.18 0.59 103.07 108.59 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 0.07 0.00 -1.65 0.74 0.00 0.00 0.00 176.54 175.70 1xmf h PHE 192 N 0.00 0.37 0.00 5.60 0.05 -1.58 -3.41 116.94 117.97 1xmf h PHE 192 Ca 0.00 -0.27 0.00 0.00 3.82 0.00 0.00 57.97 61.52 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 1.39 -1.14 0.44 -0.18 0.00 0.00 178.31 178.82 1xmf n ILE 193 N -3.38 0.00 -3.15 -0.55 -5.35 -0.78 -4.58 119.36 101.57 1xmf n ILE 193 Ca -0.19 -0.11 -0.43 0.00 -0.27 0.00 0.00 62.75 61.75 1xmf n ILE 193 Cb 1.04 0.43 -0.07 0.00 -1.74 0.00 0.00 39.64 39.31 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 -2.42 6.26 0.00 7.28 0.01 0.20 -4.94 113.70 120.10 1xmf s SER 194 Ca -0.01 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1xmf s SER 194 Cb 0.03 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1xmf s SER 194 CO 0.17 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.61 1xmf n GLY 195 N 5.11 0.77 3.63 3.44 0.00 -1.26 -4.73 105.19 112.15 1xmf n GLY 195 Ca -0.05 -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 1.49 2.16 -0.27 1.61 4.64 -1.26 -4.71 116.55 120.21 1xmf n ASP 196 Ca 0.00 1.13 0.17 0.00 -1.38 0.00 0.00 54.79 54.71 1xmf n ASP 196 Cb 0.00 -1.32 0.46 0.00 -1.04 0.00 0.00 41.12 39.23 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 4.32 2.07 -0.02 -1.67 0.00 -1.95 0.46 119.26 122.48 1xmf h ALA 197 Ca -0.45 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 1xmf h ALA 197 Cb 1.30 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1xmf h ALA 197 CO 0.77 -0.38 -0.57 0.28 0.00 0.00 0.00 179.25 179.35 1xmf h VAL 198 N 0.50 1.40 -0.18 0.00 2.07 -1.91 0.24 116.25 118.37 1xmf h VAL 198 Ca 0.49 -1.94 -0.19 0.00 0.82 0.00 0.00 66.70 65.88 1xmf h VAL 198 Cb 1.09 2.02 0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1xmf h VAL 198 CO -0.22 0.56 -0.64 -0.08 0.02 0.00 0.00 177.57 177.21 1xmf h GLU 199 N 0.05 0.75 -0.15 1.57 4.81 -0.57 -2.41 114.58 118.64 1xmf h GLU 199 Ca -0.00 -0.57 -0.13 0.00 -0.13 0.00 0.00 59.36 58.53 1xmf h GLU 199 Cb 1.02 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1xmf h GLU 199 CO 0.08 1.18 -0.47 0.00 -0.73 0.00 0.00 179.01 179.07 1xmf h SER 201 N 0.30 0.95 -0.22 0.00 0.87 -0.43 -1.47 113.55 113.55 1xmf h SER 201 Ca 0.02 -0.12 -0.20 0.00 -1.23 0.00 0.00 61.79 60.25 1xmf h SER 201 Cb 0.95 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1xmf h SER 201 CO 0.08 0.81 -0.65 -0.07 -0.53 0.00 0.00 176.83 176.47 1xmf h LEU 202 N 1.03 0.96 -1.37 2.23 3.38 -1.27 0.26 115.31 120.52 1xmf h LEU 202 Ca 0.26 -0.56 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 1xmf h LEU 202 Cb 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1xmf h LEU 202 CO -0.03 1.36 0.06 0.78 0.09 0.00 0.00 178.44 180.69 1xmf h ASN 203 N 0.61 0.44 0.00 -0.43 2.35 -1.12 -0.74 115.58 116.69 1xmf h ASN 203 Ca -0.01 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1xmf h ASN 203 Cb 1.26 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 1xmf h ASN 203 CO 0.14 0.46 -0.62 0.25 -1.65 0.00 0.00 177.43 176.01 1xmf h LEU 204 N 0.47 0.00 0.00 1.61 5.85 -1.19 -2.45 115.31 119.60 1xmf h LEU 204 Ca 0.11 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1xmf h LEU 204 Cb 0.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1xmf h LEU 204 CO -0.00 0.87 -0.85 0.00 -0.34 0.00 0.00 178.44 178.12 1xmf n GLN 205 N -4.59 0.49 0.29 1.25 6.02 0.91 -1.10 117.38 120.65 1xmf n GLN 205 Ca -0.11 0.46 0.19 0.00 -0.01 0.00 0.00 57.00 57.53 1xmf n GLN 205 Cb 0.33 -1.64 0.94 0.00 1.02 0.00 0.00 30.24 30.89 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 -1.54 -2.63 115.31 117.07 1xmf h LEU 206 Ca -0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1xmf h LEU 206 Cb 0.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1xmf h LEU 206 CO -0.06 0.00 -0.19 0.52 -0.34 0.00 0.00 178.44 178.37 1xmf n VAL 207 N -2.95 0.28 -0.24 1.05 0.31 -0.29 -4.58 118.33 111.91 1xmf n VAL 207 Ca -0.01 0.09 0.04 0.00 -0.01 0.00 0.00 64.34 64.45 1xmf n VAL 207 Cb 0.15 -0.93 0.14 0.00 -0.91 0.00 0.00 33.84 32.29 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 0.80 0.00 2.92 0.00 -1.42 -0.92 103.07 104.45 1xmf h GLY 208 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1xmf h GLY 208 CO 0.00 -0.25 -0.54 1.18 0.00 0.00 0.00 176.54 176.93 1xmf n GLU 209 N -5.31 0.40 0.06 4.80 1.02 -0.26 -0.00 120.64 121.35 1xmf n GLU 209 Ca 0.12 0.42 0.21 0.00 -0.02 0.00 0.00 57.16 57.89 1xmf n GLU 209 Cb 0.44 -1.50 0.70 0.00 -0.02 0.00 0.00 31.44 31.05 1xmf n GLU 209 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xmf h ALA 210 N -1.14 2.20 0.00 0.62 0.00 -1.55 -2.43 119.26 116.96 1xmf h ALA 210 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1xmf h ALA 210 Cb 0.54 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1xmf h ALA 210 CO 0.00 -0.80 -1.77 0.00 0.00 0.00 0.00 179.25 176.67 1xmf n PHE 212 N -2.81 0.00 -0.07 0.00 3.72 -1.14 -4.75 117.46 112.41 1xmf n PHE 212 Ca -0.23 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.12 1xmf n PHE 212 Cb 0.77 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 39.20 1xmf n PHE 212 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1xmf h THR 213 N -0.17 0.00 -0.46 4.37 2.02 -0.32 0.56 112.91 118.91 1xmf h THR 213 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 1xmf h THR 213 Cb 0.17 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.50 1xmf h THR 213 CO 0.00 0.00 0.01 0.78 0.37 0.00 0.00 175.52 176.68 1xmf h ASN 214 N -0.10 -0.17 0.83 4.18 4.21 -1.70 1.31 115.58 124.13 1xmf h ASN 214 Ca 0.03 0.11 -0.09 0.00 1.21 0.00 0.00 56.30 57.56 1xmf h ASN 214 Cb 0.19 0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.56 1xmf h ASN 214 CO -0.24 -0.05 -0.44 -0.65 -1.29 0.00 0.00 177.43 174.76 1xmf h PRO 215 N 0.12 0.00 -0.03 0.81 0.11 -1.73 -3.07 132.00 128.21 1xmf h PRO 215 Ca 0.23 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.32 1xmf h PRO 215 Cb 0.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 1xmf h PRO 215 CO -0.37 0.44 -0.04 1.25 -0.21 0.00 0.00 178.00 179.06 1xmf h LEU 216 N 0.00 0.10 -0.50 2.35 5.85 0.18 -1.98 115.31 121.30 1xmf h LEU 216 Ca -0.00 -0.52 0.10 0.00 0.84 0.00 0.00 57.88 58.29 1xmf h LEU 216 Cb 0.97 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.89 1xmf h LEU 216 CO 0.06 0.60 -0.03 0.40 -0.34 0.00 0.00 178.44 179.13 1xmf h ILE 217 N -0.40 0.59 0.01 4.05 1.08 0.16 0.28 117.51 123.27 1xmf h ILE 217 Ca 0.00 -0.03 0.01 0.00 -0.39 0.00 0.00 64.86 64.45 1xmf h ILE 217 Cb 0.57 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 1xmf h ILE 217 CO 0.01 0.02 -0.04 0.58 -0.69 0.00 0.00 178.15 178.03 1xmf h VAL 218 N 0.09 0.91 -0.65 1.67 2.07 -1.56 -2.42 116.25 116.36 1xmf h VAL 218 Ca 0.25 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.84 1xmf h VAL 218 Cb 0.38 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1xmf h VAL 218 CO -0.44 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.48 1xmf h ALA 219 N 0.92 0.86 -0.72 1.67 0.00 -0.45 -1.45 119.26 120.09 1xmf h ALA 219 Ca 0.01 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1xmf h ALA 219 Cb 0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1xmf h ALA 219 CO -0.03 -0.03 0.42 0.28 0.00 0.00 0.00 179.25 179.88 1xmf h VAL 220 N 0.59 0.99 -0.22 0.00 2.07 -0.20 0.72 116.25 120.20 1xmf h VAL 220 Ca 0.30 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1xmf h VAL 220 Cb 0.25 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1xmf h VAL 220 CO -0.22 0.14 0.02 0.71 0.02 0.00 0.00 177.57 178.24 1xmf h THR 221 N 0.77 1.13 0.19 2.57 1.35 -0.81 0.19 112.91 118.29 1xmf h THR 221 Ca 0.32 -0.50 -0.01 0.00 -0.55 0.00 0.00 66.41 65.67 1xmf h THR 221 Cb 0.18 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1xmf h THR 221 CO -0.18 0.17 -0.09 -0.08 -0.25 0.00 0.00 175.52 175.09 1xmf h GLU 222 N 0.32 -0.24 -0.46 4.72 4.57 -0.24 -0.96 114.58 122.28 1xmf h GLU 222 Ca 0.08 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.31 1xmf h GLU 222 Cb 0.19 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1xmf h GLU 222 CO 0.00 0.16 0.31 -1.49 -1.18 0.00 0.00 179.01 176.82 1xmf h TRP 223 N -0.81 0.49 -0.05 0.92 4.06 -0.74 -1.59 115.95 118.23 1xmf h TRP 223 Ca -0.03 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 1xmf h TRP 223 Cb 0.52 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 28.52 1xmf h TRP 223 CO 0.07 0.28 -0.01 0.00 -3.56 0.00 0.00 178.44 175.22 1xmf h ALA 224 N 1.73 0.07 -0.86 1.49 0.00 -0.59 -2.67 119.26 118.43 1xmf h ALA 224 Ca 0.19 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1xmf h ALA 224 Cb 0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1xmf h ALA 224 CO -0.05 -0.23 0.55 0.00 0.00 0.00 0.00 179.25 179.53 1xmf h ALA 225 N 0.67 1.14 0.00 0.00 0.00 -0.61 0.54 119.26 121.00 1xmf h ALA 225 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xmf h ALA 225 Cb 0.39 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xmf h ALA 225 CO 0.00 0.38 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 1xmf h ALA 226 N 1.36 1.24 -0.45 0.00 0.00 -1.23 -2.61 119.26 117.57 1xmf h ALA 226 Ca 0.35 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1xmf h ALA 226 Cb 0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1xmf h ALA 226 CO -0.12 0.08 0.07 0.09 0.00 0.00 0.00 179.25 179.37 1xmf n ASN 227 N -3.50 4.01 0.00 0.00 4.13 -0.41 -4.64 115.26 114.84 1xmf n ASN 227 Ca -0.02 -3.23 0.00 0.00 1.68 0.00 0.00 54.58 53.01 1xmf n ASN 227 Cb 0.18 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 37.79 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 -0.47 0.86 3.52 7.41 0.00 -0.98 -1.36 105.19 114.17 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 -2.82 6.35 0.00 1.61 2.15 0.05 -4.39 116.67 119.62 1xmf s ASP 229 Ca 0.00 -0.30 0.18 0.00 0.43 0.00 0.00 52.55 52.86 1xmf s ASP 229 Cb 0.00 -2.36 -0.06 0.00 -0.30 0.00 0.00 42.92 40.20 1xmf s ASP 229 CO 0.00 -0.89 0.87 -0.62 -0.17 0.00 0.00 175.17 174.36 1xmf n GLU 230 N 6.57 1.47 0.02 4.34 -0.58 -1.26 -3.28 120.64 127.91 1xmf n GLU 230 Ca -0.00 -0.61 -0.12 0.00 -0.42 0.00 0.00 57.16 56.01 1xmf n GLU 230 Cb 0.48 -1.33 -0.09 0.00 -0.57 0.00 0.00 31.44 29.92 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 1.40 1.19 -0.68 -3.67 1.08 -1.89 -3.06 117.51 111.87 1xmf h ILE 231 Ca 0.00 -1.25 -0.01 0.00 -0.39 0.00 0.00 64.86 63.20 1xmf h ILE 231 Cb 0.55 1.96 -0.03 0.00 -3.07 0.00 0.00 36.82 36.23 1xmf h ILE 231 CO 0.00 0.29 0.37 0.74 -0.69 0.00 0.00 178.15 178.86 1xmf h THR 232 N -0.71 1.21 -0.78 -0.27 2.02 -1.98 -2.66 112.91 109.74 1xmf h THR 232 Ca -0.01 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 1xmf h THR 232 Cb 0.57 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1xmf h THR 232 CO 0.02 0.24 0.47 -0.65 0.37 0.00 0.00 175.52 175.97 1xmf h PRO 233 N 0.94 1.06 -0.81 6.66 0.11 -1.77 0.30 132.00 138.49 1xmf h PRO 233 Ca 0.24 -0.09 0.09 0.00 0.11 0.00 0.00 66.00 66.34 1xmf h PRO 233 Cb 0.05 -0.22 -0.07 0.00 0.11 0.00 0.00 31.00 30.87 1xmf h PRO 233 CO -0.04 0.74 0.46 1.15 -0.21 0.00 0.00 178.00 180.11 1xmf h THR 234 N 1.07 0.93 0.00 -1.15 2.02 -1.37 -0.43 112.91 113.97 1xmf h THR 234 Ca 0.28 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 1xmf h THR 234 Cb -0.04 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 1xmf h THR 234 CO -0.05 0.14 -0.45 0.58 0.37 0.00 0.00 175.52 176.12 1xmf h VAL 235 N 0.79 0.87 -0.44 3.16 2.07 -1.18 -3.34 116.25 118.19 1xmf h VAL 235 Ca 0.38 -1.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 1xmf h VAL 235 Cb 0.33 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1xmf h VAL 235 CO -0.23 0.29 0.26 -0.26 0.02 0.00 0.00 177.57 177.65 1xmf h PHE 236 N -1.00 0.56 -0.11 1.57 -1.00 -0.43 -0.41 116.94 116.12 1xmf h PHE 236 Ca -0.10 0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.63 1xmf h PHE 236 Cb 0.79 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.16 1xmf h PHE 236 CO 0.09 0.38 -0.18 -0.07 -1.61 0.00 0.00 178.31 176.91 1xmf h LEU 237 N 0.60 0.17 -0.51 1.54 3.38 -1.24 -0.43 115.31 118.82 1xmf h LEU 237 Ca 0.16 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 1xmf h LEU 237 Cb -0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1xmf h LEU 237 CO -0.03 0.37 -0.60 -1.28 0.09 0.00 0.00 178.44 176.98 1xmf h SER 238 N 0.16 0.55 -0.23 -0.43 0.87 -1.24 -2.95 113.55 110.28 1xmf h SER 238 Ca 0.03 -0.31 -0.11 0.00 -1.23 0.00 0.00 61.79 60.17 1xmf h SER 238 Cb 0.42 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1xmf h SER 238 CO 0.03 1.02 -0.23 0.40 -0.53 0.00 0.00 176.83 177.52 1xmf h ILE 239 N 0.36 1.27 -0.78 2.23 2.04 -0.38 -3.00 117.51 119.25 1xmf h ILE 239 Ca -0.00 -1.33 0.03 0.00 1.00 0.00 0.00 64.86 64.56 1xmf h ILE 239 Cb 1.15 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 38.43 1xmf h ILE 239 CO 0.11 0.44 0.50 -0.08 0.00 0.00 0.00 178.15 179.12 1xmf h GLU 240 N 0.62 0.96 -0.78 2.37 4.81 -0.95 -2.11 114.58 119.49 1xmf h GLU 240 Ca 0.09 -0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1xmf h GLU 240 Cb 0.72 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 1xmf h GLU 240 CO 0.06 0.63 0.51 1.79 -0.73 0.00 0.00 179.01 181.27 1xmf h THR 241 N 0.99 0.93 0.04 0.32 1.35 -1.42 -2.08 112.91 113.04 1xmf h THR 241 Ca 0.31 -0.24 -0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1xmf h THR 241 Cb -0.00 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 66.60 1xmf h THR 241 CO -0.11 0.13 -0.02 0.44 -0.25 0.00 0.00 175.52 175.71 1xmf h ASP 242 N 0.69 -0.04 0.00 5.36 3.45 -1.45 -3.13 116.42 121.29 1xmf h ASP 242 Ca 0.36 -0.50 0.00 0.00 0.43 0.00 0.00 57.03 57.32 1xmf h ASP 242 Cb 0.49 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 1xmf h ASP 242 CO -0.14 0.50 0.17 -0.33 -1.57 0.00 0.00 179.24 177.87 1xmf h GLU 243 N -0.59 0.00 -0.60 3.56 4.39 -0.78 -0.44 114.58 120.11 1xmf h GLU 243 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1xmf h GLU 243 Cb 0.54 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 1xmf h GLU 243 CO 0.01 0.00 0.31 -0.07 -1.16 0.00 0.00 179.01 178.10 1xmf h LEU 244 N 0.00 0.77 -0.50 1.33 4.07 -1.35 -1.45 115.31 118.17 1xmf h LEU 244 Ca 0.00 -0.11 -0.09 0.00 0.08 0.00 0.00 57.88 57.75 1xmf h LEU 244 Cb 0.35 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 1xmf h LEU 244 CO 0.00 0.66 -0.05 0.03 -1.08 0.00 0.00 178.44 178.00 1xmf h ARG 245 N 0.82 0.93 -0.34 1.13 3.08 -1.24 -2.79 114.38 115.96 1xmf h ARG 245 Ca 0.21 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1xmf h ARG 245 Cb 0.08 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1xmf h ARG 245 CO -0.03 0.98 0.22 0.45 -1.07 0.00 0.00 179.97 180.51 1xmf h HIS 246 N 0.79 0.44 0.19 3.04 3.86 -1.47 0.71 115.15 122.70 1xmf h HIS 246 Ca 0.14 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1xmf h HIS 246 Cb 0.60 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1xmf h HIS 246 CO 0.04 0.29 -0.09 0.52 0.86 0.00 0.00 177.93 179.55 1xmf h MET 247 N 0.47 -0.24 0.00 2.45 2.86 -1.04 0.87 114.93 120.30 1xmf h MET 247 Ca 0.13 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1xmf h MET 247 Cb -0.03 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1xmf h MET 247 CO -0.03 0.03 -0.03 0.00 1.06 0.00 0.00 176.91 177.94 1xmf h ALA 248 N 0.26 1.68 -0.00 6.32 0.00 -1.17 0.29 119.26 126.64 1xmf h ALA 248 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xmf h ALA 248 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1xmf h ALA 248 CO 0.04 0.04 -0.15 -1.71 0.00 0.00 0.00 179.25 177.46 1xmf n ASN 249 N -4.10 0.51 0.01 0.00 5.15 0.19 -3.85 115.26 113.18 1xmf n ASN 249 Ca -0.03 -0.50 -0.12 0.00 -0.60 0.00 0.00 54.58 53.33 1xmf n ASN 249 Cb 0.11 -0.05 -0.00 0.00 -0.53 0.00 0.00 39.78 39.31 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 0.64 2.00 8.20 0.00 0.21 -3.13 103.07 115.96 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 -0.62 -0.97 0.00 0.00 0.00 176.54 175.73 1xmf h TYR 251 N 0.41 0.00 -0.60 5.60 0.99 -1.67 -3.15 116.97 118.56 1xmf h TYR 251 Ca -0.03 0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.88 1xmf h TYR 251 Cb 1.29 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.99 1xmf h TYR 251 CO 0.06 0.62 0.46 1.96 -0.00 0.00 0.00 178.16 181.26 1xmf h GLN 252 N 0.00 0.00 0.00 4.88 1.08 -1.71 0.22 115.11 119.58 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 1.17 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.57 1xmf h GLN 252 CO 0.08 0.00 -1.01 1.15 -0.95 0.00 0.00 178.83 178.10 1xmf h THR 253 N 0.00 1.46 0.00 -0.54 2.02 -1.66 -2.93 112.91 111.27 1xmf h THR 253 Ca 0.28 -3.13 0.00 0.00 0.77 0.00 0.00 66.41 64.34 1xmf h THR 253 Cb 1.20 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 70.33 1xmf h THR 253 CO -0.00 0.83 -0.35 0.52 0.37 0.00 0.00 175.52 176.89 1xmf n VAL 254 N -3.29 0.27 -0.02 3.16 0.31 0.56 -3.81 118.33 115.51 1xmf n VAL 254 Ca -0.02 -0.17 -0.13 0.00 -0.01 0.00 0.00 64.34 64.02 1xmf n VAL 254 Cb 0.92 -0.21 -0.14 0.00 -0.91 0.00 0.00 33.84 33.49 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 -1.90 1.64 1.78 2.52 0.31 -0.03 -2.69 118.33 119.96 1xmf n VAL 255 Ca 0.05 -0.75 0.11 0.00 -0.01 0.00 0.00 64.34 63.74 1xmf n VAL 255 Cb 0.40 -1.21 0.67 0.00 -0.91 0.00 0.00 33.84 32.78 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 -1.11 -3.55 113.62 113.73 1xmf n SER 256 Ca -0.23 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 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 -0.89 0.00 0.18 -1.33 -5.35 -1.26 -2.56 119.36 108.15 1xmf n ILE 257 Ca 0.17 -0.05 0.17 0.00 -0.27 0.00 0.00 62.75 62.77 1xmf n ILE 257 Cb 0.08 0.41 0.64 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 1.92 0.00 -1.28 0.00 -1.56 -1.82 119.26 116.52 1xmf h ALA 258 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 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 -0.87 -0.91 0.00 0.00 0.00 179.25 176.75 1xmf h ASN 259 N 0.00 0.00 -1.52 0.00 4.21 -1.87 -3.46 115.58 112.94 1xmf h ASN 259 Ca 0.13 -0.66 -0.71 0.00 1.21 0.00 0.00 56.30 56.27 1xmf h ASN 259 Cb 1.28 0.00 0.05 0.00 -1.12 0.00 0.00 38.32 38.53 1xmf h ASN 259 CO -0.00 1.34 0.45 -0.67 -1.29 0.00 0.00 177.43 177.26 1xmf n ASP 260 N -4.49 1.43 -0.29 5.81 2.03 -0.68 -4.83 116.55 115.53 1xmf n ASP 260 Ca -0.25 1.12 0.15 0.00 0.52 0.00 0.00 54.79 56.33 1xmf n ASP 260 Cb 0.62 -1.12 0.41 0.00 -0.72 0.00 0.00 41.12 40.31 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 4.65 0.58 -0.84 -0.67 0.11 -1.91 -1.76 132.00 132.17 1xmf h PRO 261 Ca -0.48 -0.04 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 0.79 0.39 0.53 0.00 -0.21 0.00 0.00 178.00 179.49 1xmf h ALA 262 N 1.61 1.12 -0.94 -0.75 0.00 -1.89 -2.26 119.26 116.16 1xmf h ALA 262 Ca 0.50 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.52 1xmf h ALA 262 Cb 0.96 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 1xmf h ALA 262 CO -0.25 0.34 0.55 1.03 0.00 0.00 0.00 179.25 180.93 1xmf h SER 263 N 1.02 0.77 0.00 0.00 0.87 -1.54 -0.42 113.55 114.24 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 0.05 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1xmf h SER 263 CO -0.13 0.37 0.00 0.00 -0.53 0.00 0.00 176.83 176.54 1xmf n ALA 264 N -2.37 1.81 -1.77 6.23 0.00 -0.85 -1.91 120.51 121.65 1xmf n ALA 264 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1xmf n ALA 264 Cb 0.40 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.24 0.00 0.00 0.00 2.85 -0.22 -4.92 118.16 115.63 1xmf n LYS 265 Ca 0.00 -0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.15 1xmf n LYS 265 Cb 0.03 -0.12 0.00 0.00 -0.65 0.00 0.00 35.03 34.30 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 0.00 0.00 0.11 5.58 0.53 -0.88 -4.85 117.16 117.65 1xmf n TYR 266 Ca 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 57.90 56.73 1xmf n TYR 266 Cb 0.48 0.00 -0.09 0.00 -1.03 0.00 0.00 39.34 38.71 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 -1.43 -0.85 7.72 5.85 -1.60 -2.13 115.31 122.87 1xmf h LEU 267 Ca 0.00 0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.94 1xmf h LEU 267 Cb 0.34 0.53 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 1xmf h LEU 267 CO 0.00 -0.53 0.52 0.78 -0.34 0.00 0.00 178.44 178.88 1xmf h ASN 268 N -0.71 0.81 0.20 1.25 -0.26 -1.88 0.18 115.58 115.18 1xmf h ASN 268 Ca 0.01 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 1xmf h ASN 268 Cb 0.73 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 1xmf h ASN 268 CO -0.27 0.51 -0.09 0.74 -1.06 0.00 0.00 177.43 177.25 1xmf h THR 269 N 0.94 0.84 -0.84 2.81 2.02 -1.83 0.12 112.91 116.96 1xmf h THR 269 Ca 0.38 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 1xmf h THR 269 Cb 0.21 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 1xmf h THR 269 CO -0.19 0.04 0.43 0.44 0.37 0.00 0.00 175.52 176.61 1xmf h ASP 270 N -0.34 1.08 -0.18 4.18 3.32 -1.14 -2.01 116.42 121.32 1xmf h ASP 270 Ca -0.03 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.85 1xmf h ASP 270 Cb 0.26 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1xmf h ASP 270 CO 0.04 0.88 -0.08 0.25 -1.72 0.00 0.00 179.24 178.62 1xmf h LEU 271 N 1.19 0.50 0.07 1.55 5.85 -0.74 0.30 115.31 124.04 1xmf h LEU 271 Ca 0.29 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1xmf h LEU 271 Cb 0.07 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1xmf h LEU 271 CO -0.04 0.63 -0.03 -1.13 -0.34 0.00 0.00 178.44 177.53 1xmf h ASN 272 N 0.49 -0.08 -0.11 1.25 -1.24 -0.17 -1.45 115.58 114.27 1xmf h ASN 272 Ca 0.10 -0.32 -0.00 0.00 0.71 0.00 0.00 56.30 56.78 1xmf h ASN 272 Cb 0.45 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 1xmf h ASN 272 CO 0.02 0.29 0.07 0.78 -1.29 0.00 0.00 177.43 177.30 1xmf h ASN 273 N -0.46 0.13 -0.33 1.15 -0.26 -1.25 -0.19 115.58 114.38 1xmf h ASN 273 Ca -0.01 -0.03 0.07 0.00 -0.56 0.00 0.00 56.30 55.77 1xmf h ASN 273 Cb 0.40 -0.03 -0.08 0.00 -1.06 0.00 0.00 38.32 37.54 1xmf h ASN 273 CO 0.02 0.13 -0.25 0.00 -1.06 0.00 0.00 177.43 176.26 1xmf h ALA 274 N 1.01 -0.08 -0.31 -0.83 0.00 -0.95 0.36 119.26 118.45 1xmf h ALA 274 Ca 0.04 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1xmf h ALA 274 Cb 0.02 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1xmf h ALA 274 CO -0.01 -0.66 0.08 0.35 0.00 0.00 0.00 179.25 179.01 1xmf h PHE 275 N -0.22 0.13 -0.69 0.00 3.57 -0.84 -1.72 116.94 117.17 1xmf h PHE 275 Ca 0.16 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 1xmf h PHE 275 Cb 0.48 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1xmf h PHE 275 CO -0.45 0.04 0.21 2.35 -2.23 0.00 0.00 178.31 178.23 1xmf h TRP 276 N 0.20 1.12 0.41 0.41 2.91 -0.11 -1.15 115.95 119.73 1xmf h TRP 276 Ca 0.15 -0.12 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 1xmf h TRP 276 Cb 0.15 -0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 28.45 1xmf h TRP 276 CO -0.16 0.90 -0.43 1.15 -1.03 0.00 0.00 178.44 178.86 1xmf h THR 277 N 1.01 0.14 0.61 2.65 2.02 -0.01 0.34 112.91 119.66 1xmf h THR 277 Ca 0.22 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 1xmf h THR 277 Cb 0.31 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1xmf h THR 277 CO -0.01 0.00 -0.45 1.56 0.37 0.00 0.00 175.52 177.00 1xmf h GLN 278 N -0.86 -0.98 -0.50 6.66 1.08 -1.27 -3.11 115.11 116.11 1xmf h GLN 278 Ca -0.04 0.07 0.09 0.00 -1.45 0.00 0.00 58.65 57.32 1xmf h GLN 278 Cb 0.77 0.22 -0.08 0.00 -0.05 0.00 0.00 27.48 28.35 1xmf h GLN 278 CO -0.08 -0.65 0.06 0.37 -0.95 0.00 0.00 178.83 177.58 1xmf h GLN 279 N -1.02 0.18 -1.01 1.46 -0.00 -1.15 -0.35 115.11 113.23 1xmf h GLN 279 Ca -0.07 -0.01 0.22 0.00 -0.00 0.00 0.00 58.65 58.79 1xmf h GLN 279 Cb 0.85 -0.04 -0.11 0.00 0.00 0.00 0.00 27.48 28.18 1xmf h GLN 279 CO 0.03 0.12 0.61 -0.22 0.00 0.00 0.00 178.83 179.37 1xmf h LYS 280 N 0.19 0.61 0.00 1.69 1.63 -0.26 -0.88 116.57 119.55 1xmf h LYS 280 Ca 0.25 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.97 1xmf h LYS 280 Cb 0.36 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 1xmf h LYS 280 CO -0.37 0.40 -0.76 0.98 -3.45 0.00 0.00 179.45 176.25 1xmf n TYR 281 N -4.78 0.79 -0.30 1.91 9.36 -0.86 -4.42 117.16 118.86 1xmf n TYR 281 Ca 0.25 0.34 -0.05 0.00 3.32 0.00 0.00 57.90 61.76 1xmf n TYR 281 Cb 0.69 -0.80 0.08 0.00 -0.63 0.00 0.00 39.34 38.68 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 1.22 -0.12 2.98 0.04 -1.11 -1.55 116.94 117.40 1xmf h PHE 282 Ca -0.08 -0.07 0.02 0.00 2.80 0.00 0.00 57.97 60.64 1xmf h PHE 282 Cb 0.74 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 1xmf h PHE 282 CO -0.19 0.89 -0.20 1.15 -0.60 0.00 0.00 178.31 179.35 1xmf h THR 283 N 1.20 0.00 0.00 -1.55 2.02 -1.33 -1.38 112.91 111.87 1xmf h THR 283 Ca 0.29 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.40 1xmf h THR 283 Cb 0.14 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1xmf h THR 283 CO -0.03 0.00 -0.32 1.55 0.37 0.00 0.00 175.52 177.08 1xmf h PRO 284 N -0.17 0.00 0.16 6.66 0.13 -1.73 -3.25 132.00 133.80 1xmf h PRO 284 Ca 0.02 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.86 1xmf h PRO 284 Cb 0.23 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.37 1xmf h PRO 284 CO -0.20 0.32 -1.43 0.28 -0.23 0.00 0.00 178.00 176.74 1xmf h VAL 285 N 0.00 1.10 -0.11 1.56 2.07 -0.85 -2.80 116.25 117.22 1xmf h VAL 285 Ca -0.00 -2.48 -0.01 0.00 0.82 0.00 0.00 66.70 65.02 1xmf h VAL 285 Cb 0.65 2.84 -0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1xmf h VAL 285 CO 0.04 0.76 0.04 -0.07 0.02 0.00 0.00 177.57 178.36 1xmf h LEU 286 N -0.14 0.16 -1.26 2.57 3.38 -1.40 -1.05 115.31 117.55 1xmf h LEU 286 Ca -0.29 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.55 1xmf h LEU 286 Cb 1.89 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 42.55 1xmf h LEU 286 CO 0.13 0.30 0.53 1.23 0.09 0.00 0.00 178.44 180.72 1xmf h GLY 287 N 0.00 1.12 0.88 0.83 0.00 -1.71 -0.09 103.07 104.10 1xmf h GLY 287 Ca 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1xmf h GLY 287 CO -0.00 0.28 0.06 1.98 0.00 0.00 0.00 176.54 178.86 1xmf h MET 288 N 0.91 0.42 -0.60 4.80 1.85 -1.16 -0.91 114.93 120.26 1xmf h MET 288 Ca 0.34 -0.11 -0.07 0.00 -0.61 0.00 0.00 59.70 59.25 1xmf h MET 288 Cb 0.17 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.12 1xmf h MET 288 CO -0.11 0.53 0.10 -0.07 -0.40 0.00 0.00 176.91 176.95 1xmf h LEU 289 N 0.25 0.92 0.27 3.39 3.38 -0.56 -1.17 115.31 121.79 1xmf h LEU 289 Ca 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1xmf h LEU 289 Cb 0.30 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xmf h LEU 289 CO 0.00 0.92 -0.13 -0.26 0.09 0.00 0.00 178.44 179.06 1xmf h PHE 290 N 0.91 -0.34 -0.15 1.13 0.05 -0.88 -0.81 116.94 116.86 1xmf h PHE 290 Ca 0.19 -0.01 -0.18 0.00 3.82 0.00 0.00 57.97 61.79 1xmf h PHE 290 Cb 0.39 0.11 0.01 0.00 2.00 0.00 0.00 35.95 38.46 1xmf h PHE 290 CO 0.03 0.02 -0.60 0.93 -0.18 0.00 0.00 178.31 178.51 1xmf h GLU 291 N -0.84 0.67 0.00 1.51 5.08 -1.22 -3.15 114.58 116.64 1xmf h GLU 291 Ca -0.04 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1xmf h GLU 291 Cb 0.51 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1xmf h GLU 291 CO 0.06 1.14 -0.91 0.66 -1.00 0.00 0.00 179.01 178.96 1xmf n TYR 292 N -4.10 0.45 -0.37 4.33 4.02 -0.45 -4.11 117.16 116.94 1xmf n TYR 292 Ca -0.07 0.13 0.12 0.00 -0.01 0.00 0.00 57.90 58.07 1xmf n TYR 292 Cb 0.65 -0.59 0.32 0.00 -0.02 0.00 0.00 39.34 39.71 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 1.33 2.52 3.29 2.72 0.00 -0.31 -4.77 105.19 109.97 1xmf n GLY 293 Ca 0.02 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.00 2.29 -0.22 1.61 1.04 -1.19 -2.93 113.70 113.30 1xmf s SER 294 Ca 0.48 -0.89 -0.17 0.00 0.48 0.00 0.00 55.95 55.85 1xmf s SER 294 Cb 0.25 -0.10 -0.14 0.00 0.10 0.00 0.00 66.02 66.14 1xmf s SER 294 CO 0.33 -0.14 -0.06 1.17 0.98 0.00 0.00 173.24 175.52 1xmf n LYS 295 N 0.20 0.55 -3.31 4.02 3.00 -1.26 -4.85 118.16 116.51 1xmf n LYS 295 Ca -0.13 0.45 -0.39 0.00 -0.00 0.00 0.00 58.31 58.24 1xmf n LYS 295 Cb 0.58 -1.64 -0.08 0.00 0.00 0.00 0.00 35.03 33.89 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 3.29 0.58 5.64 0.40 -1.26 -5.04 117.98 119.16 1xmf s PHE 296 Ca -0.30 0.58 -0.09 0.00 -0.60 0.00 0.00 56.93 56.52 1xmf s PHE 296 Cb 0.08 -2.64 -0.03 0.00 0.51 0.00 0.00 43.02 40.93 1xmf s PHE 296 CO 0.49 -0.21 0.95 0.15 0.70 0.00 0.00 175.22 177.31 1xmf s LYS 297 N 2.02 3.49 0.00 0.44 3.01 -1.26 -4.74 119.74 122.70 1xmf s LYS 297 Ca 0.19 0.51 0.00 0.00 -1.01 0.00 0.00 55.97 55.66 1xmf s LYS 297 Cb -0.15 -2.18 0.00 0.00 -1.01 0.00 0.00 37.83 34.48 1xmf s LYS 297 CO 0.09 -0.49 0.00 0.28 0.51 0.00 0.00 175.35 175.74 1xmf n VAL 298 N -2.60 0.00 -3.65 3.17 0.31 -1.26 -5.07 118.33 109.23 1xmf n VAL 298 Ca 0.04 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.36 1xmf n VAL 298 Cb 0.55 -0.61 -0.07 0.00 -0.91 0.00 0.00 33.84 32.80 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 -1.96 0.16 0.19 5.55 2.12 -1.26 -5.13 118.70 118.37 1xmf s GLU 299 Ca 0.00 0.24 -0.33 0.00 0.36 0.00 0.00 54.97 55.24 1xmf s GLU 299 Cb 0.00 0.06 -0.14 0.00 0.26 0.00 0.00 34.13 34.30 1xmf s GLU 299 CO 0.00 -0.03 1.43 -2.30 -0.54 0.00 0.00 175.26 173.83 1xmf n PRO 300 N 2.61 1.88 -0.31 4.30 -0.02 -1.26 -4.83 135.00 137.37 1xmf n PRO 300 Ca -0.15 0.67 0.10 0.00 -2.02 0.00 0.00 63.50 62.11 1xmf n PRO 300 Cb 0.57 -2.35 0.26 0.00 -0.02 0.00 0.00 33.50 31.96 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 4.75 0.83 -0.63 6.00 -0.00 -1.94 -2.12 115.95 122.84 1xmf h TRP 301 Ca -0.45 0.04 0.13 0.00 -0.00 0.00 0.00 58.89 58.60 1xmf h TRP 301 Cb 1.28 -0.23 -0.10 0.00 -0.00 0.00 0.00 29.16 30.11 1xmf h TRP 301 CO 0.59 0.15 0.05 -0.39 -0.00 0.00 0.00 178.44 178.84 1xmf h VAL 302 N 0.62 0.52 0.00 2.65 -1.51 -1.89 0.50 116.25 117.14 1xmf h VAL 302 Ca 0.51 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.93 1xmf h VAL 302 Cb 0.79 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 1xmf h VAL 302 CO -0.40 0.03 -0.29 0.07 -1.23 0.00 0.00 177.57 175.75 1xmf h LYS 303 N 0.16 0.00 -0.10 5.19 2.10 -1.79 -1.22 116.57 120.92 1xmf h LYS 303 Ca 0.33 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.77 1xmf h LYS 303 Cb 0.54 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.88 1xmf h LYS 303 CO -0.50 0.00 -0.78 1.15 -2.00 0.00 0.00 179.45 177.32 1xmf h THR 304 N 0.00 1.30 0.53 0.07 2.02 -0.45 -3.03 112.91 113.36 1xmf h THR 304 Ca 0.00 -2.01 -0.03 0.00 0.77 0.00 0.00 66.41 65.14 1xmf h THR 304 Cb 0.82 2.16 0.01 0.00 -1.74 0.00 0.00 68.15 69.39 1xmf h THR 304 CO 0.00 0.63 -0.26 -0.25 0.37 0.00 0.00 175.52 176.01 1xmf h TRP 305 N 0.39 -0.67 -0.23 3.16 7.01 -0.06 -2.61 115.95 122.94 1xmf h TRP 305 Ca -0.07 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 60.98 1xmf h TRP 305 Cb 1.42 0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 28.69 1xmf h TRP 305 CO 0.10 -0.41 0.68 0.22 -2.79 0.00 0.00 178.44 176.24 1xmf h ASP 306 N -1.18 0.00 0.00 2.65 1.82 -1.34 0.24 116.42 118.61 1xmf h ASP 306 Ca -0.07 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.53 1xmf h ASP 306 Cb 0.55 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.55 1xmf h ASP 306 CO 0.12 0.00 -0.28 -0.09 -1.61 0.00 0.00 179.24 177.38 1xmf h ARG 307 N 0.00 0.00 -0.07 0.28 2.43 -1.47 -3.02 114.38 112.52 1xmf h ARG 307 Ca 0.11 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.32 1xmf h ARG 307 Cb 1.47 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.97 1xmf h ARG 307 CO -0.00 0.54 -0.27 -1.49 -1.51 0.00 0.00 179.97 177.24 1xmf h TRP 308 N -1.00 -0.74 0.00 2.20 4.06 -0.21 -0.36 115.95 119.91 1xmf h TRP 308 Ca -0.06 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.90 1xmf h TRP 308 Cb 0.66 0.34 -0.00 0.00 -1.00 0.00 0.00 29.16 29.16 1xmf h TRP 308 CO 0.09 -0.36 -0.09 0.28 -3.56 0.00 0.00 178.44 174.80 1xmf h VAL 309 N -0.38 0.21 0.00 1.49 2.07 -1.33 -0.46 116.25 117.86 1xmf h VAL 309 Ca 0.08 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1xmf h VAL 309 Cb 0.50 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1xmf h VAL 309 CO -0.29 0.09 0.00 -1.22 0.02 0.00 0.00 177.57 176.17 1xmf n TYR 310 N -3.19 0.00 0.16 1.57 4.02 -0.99 0.36 117.16 119.09 1xmf n TYR 310 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1xmf n TYR 310 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 1xmf n TYR 310 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1xmf n GLU 311 N -1.06 0.08 0.00 -0.72 4.71 -0.28 -2.81 120.64 120.57 1xmf n GLU 311 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1xmf n GLU 311 Cb 0.00 -1.00 0.00 0.00 -1.01 0.00 0.00 31.44 29.43 1xmf n GLU 311 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1xmf n ASP 312 N -0.46 0.00 0.02 1.62 9.92 -0.42 -4.78 116.55 122.45 1xmf n ASP 312 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1xmf n ASP 312 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 -0.03 -0.23 -0.59 1.24 -0.00 -0.18 -4.22 117.44 113.43 1xmf n TRP 313 Ca 0.00 0.04 -0.12 0.00 -0.00 0.00 0.00 57.50 57.42 1xmf n TRP 313 Cb 0.00 0.28 -0.06 0.00 -0.00 0.00 0.00 31.31 31.53 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 2.40 2.42 0.00 5.87 0.00 0.16 -0.41 105.19 115.63 1xmf n GLY 314 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 3.11 -1.62 0.64 -0.02 0.00 -1.25 -4.75 105.19 101.30 1xmf n GLY 315 Ca 0.30 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.86 1xmf n GLY 315 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xmf n ILE 316 N 0.00 0.21 0.00 -0.61 3.06 -1.25 -2.01 119.36 118.76 1xmf n ILE 316 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1xmf n ILE 316 Cb 0.00 -0.53 0.00 0.00 0.54 0.00 0.00 39.64 39.65 1xmf n ILE 316 CO 0.00 0.00 0.00 1.87 -2.50 0.00 0.00 176.55 175.92 1xmf n TRP 317 N 0.24 -0.85 0.14 9.51 -0.00 -1.16 -4.78 117.44 120.54 1xmf n TRP 317 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.58 1xmf n TRP 317 Cb 0.25 0.32 0.06 0.00 -0.00 0.00 0.00 31.31 31.94 1xmf n TRP 317 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 177.69 178.66 1xmf h ILE 318 N 0.00 0.29 0.00 5.87 2.10 -0.81 -3.27 117.51 121.69 1xmf h ILE 318 Ca 0.00 -1.45 0.00 0.00 1.08 0.00 0.00 64.86 64.49 1xmf h ILE 318 Cb 0.00 1.99 0.00 0.00 -1.09 0.00 0.00 36.82 37.72 1xmf h ILE 318 CO 0.00 0.16 0.00 0.61 -1.08 0.00 0.00 178.15 177.84 1xmf n GLY 319 N 1.19 -1.42 0.27 8.18 0.00 -0.85 -2.47 105.19 110.09 1xmf n GLY 319 Ca 0.01 0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.10 1xmf n GLY 319 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xmf n ARG 320 N -2.19 1.35 -0.14 1.61 0.00 -1.23 -3.46 116.66 112.59 1xmf n ARG 320 Ca 0.04 -0.54 0.03 0.00 -0.00 0.00 0.00 57.85 57.38 1xmf n ARG 320 Cb 0.30 -1.17 0.04 0.00 -0.00 0.00 0.00 32.46 31.63 1xmf n ARG 320 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1xmf n LEU 321 N -0.11 1.10 0.23 2.89 4.77 -1.03 -4.75 117.00 120.10 1xmf n LEU 321 Ca 0.07 -1.53 0.16 0.00 -0.03 0.00 0.00 56.01 54.68 1xmf n LEU 321 Cb 0.14 -0.11 0.64 0.00 -2.33 0.00 0.00 43.42 41.76 1xmf n LEU 321 CO 0.05 0.37 0.95 1.23 -1.33 0.00 0.00 177.39 178.66 1xmf h GLY 322 N 0.00 0.00 0.79 -0.72 0.00 -1.68 -2.59 103.07 98.86 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 -2.77 0.75 -0.01 4.80 2.85 -1.26 -2.22 118.16 120.29 1xmf n LYS 323 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1xmf n LYS 323 Cb 0.26 -1.39 0.01 0.00 -0.65 0.00 0.00 35.03 33.26 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 -0.89 0.03 -0.41 5.58 0.53 -0.98 -4.96 117.16 116.05 1xmf n TYR 324 Ca 0.14 -0.39 0.00 0.00 -1.02 0.00 0.00 57.90 56.63 1xmf n TYR 324 Cb 0.06 -0.04 0.00 0.00 -1.03 0.00 0.00 39.34 38.34 1xmf n TYR 324 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1xmf n GLY 325 N -0.31 0.78 3.69 2.72 0.00 -0.94 -4.83 105.19 106.29 1xmf n GLY 325 Ca 0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1xmf n GLY 325 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xmf s VAL 326 N -2.00 4.86 0.00 1.61 1.01 -1.19 -4.82 120.40 119.87 1xmf s VAL 326 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.84 1xmf s VAL 326 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1xmf s VAL 326 CO 0.00 0.06 0.00 -0.62 0.00 0.00 0.00 175.10 174.54 1xmf n GLU 327 N 4.75 2.84 -3.99 2.72 1.02 -1.26 -4.16 120.64 122.56 1xmf n GLU 327 Ca 0.06 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.85 1xmf n GLU 327 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.85 1xmf n GLU 327 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xmf s SER 328 N -0.30 6.10 -0.31 1.62 0.15 -1.26 -5.02 113.70 114.69 1xmf s SER 328 Ca 0.00 0.35 -0.33 0.00 0.70 0.00 0.00 55.95 56.67 1xmf s SER 328 Cb 0.00 -1.90 -0.10 0.00 -1.71 0.00 0.00 66.02 62.31 1xmf s SER 328 CO 0.00 0.36 2.20 -2.65 1.20 0.00 0.00 173.24 174.34 1xmf n PRO 329 N 1.69 1.34 0.13 5.44 -0.02 -1.26 -4.80 135.00 137.52 1xmf n PRO 329 Ca -0.17 0.36 0.09 0.00 -2.02 0.00 0.00 63.50 61.77 1xmf n PRO 329 Cb 0.54 -2.69 0.49 0.00 -0.02 0.00 0.00 33.50 31.82 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 8.34 0.12 -0.23 -0.52 1.85 -1.26 0.04 116.66 125.00 1xmf n ARG 330 Ca 0.38 0.61 0.11 0.00 -1.00 0.00 0.00 57.85 57.94 1xmf n ARG 330 Cb 0.29 -1.88 0.23 0.00 -1.05 0.00 0.00 32.46 30.05 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 -2.12 3.47 -0.14 2.89 3.41 -1.26 -4.44 113.62 115.42 1xmf n SER 331 Ca -0.01 -1.97 0.02 0.00 -0.26 0.00 0.00 58.87 56.65 1xmf n SER 331 Cb 0.03 -0.31 0.30 0.00 -0.26 0.00 0.00 64.21 63.98 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 3.99 0.73 0.20 1.04 5.85 -0.76 -0.74 115.31 125.63 1xmf h LEU 332 Ca 0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1xmf h LEU 332 Cb 0.93 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1xmf h LEU 332 CO 0.00 0.54 -0.09 0.11 -0.34 0.00 0.00 178.44 178.65 1xmf h LYS 333 N 0.86 -0.26 -0.19 1.25 6.56 -1.78 -2.32 116.57 120.70 1xmf h LYS 333 Ca 0.23 0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.85 1xmf h LYS 333 Cb -0.08 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.62 1xmf h LYS 333 CO -0.05 0.03 0.09 -0.44 -2.06 0.00 0.00 179.45 177.03 1xmf h ASP 334 N -0.54 0.14 -0.87 0.86 3.45 -1.81 -2.32 116.42 115.33 1xmf h ASP 334 Ca -0.03 0.01 0.17 0.00 0.43 0.00 0.00 57.03 57.60 1xmf h ASP 334 Cb 0.41 -0.02 -0.10 0.00 -0.56 0.00 0.00 39.33 39.05 1xmf h ASP 334 CO 0.04 0.11 0.45 0.00 -1.57 0.00 0.00 179.24 178.27 1xmf h ALA 335 N 1.09 1.35 -0.83 3.45 0.00 -1.15 -0.31 119.26 122.86 1xmf h ALA 335 Ca 0.07 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1xmf h ALA 335 Cb 0.01 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1xmf h ALA 335 CO -0.05 -0.13 0.52 -0.22 0.00 0.00 0.00 179.25 179.37 1xmf h LYS 336 N 0.59 0.95 -0.12 0.00 3.64 -0.85 -0.64 116.57 120.15 1xmf h LYS 336 Ca 0.49 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1xmf h LYS 336 Cb 0.76 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1xmf h LYS 336 CO -0.40 0.63 0.00 1.04 -2.27 0.00 0.00 179.45 178.45 1xmf n GLN 337 N -4.61 0.48 0.00 1.90 6.02 -0.13 -2.92 117.38 118.12 1xmf n GLN 337 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1xmf n GLN 337 Cb 0.14 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.34 1xmf n GLN 337 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1xmf n ASP 338 N -0.31 0.49 -0.34 1.08 9.92 -0.25 -4.74 116.55 122.41 1xmf n ASP 338 Ca 0.00 -1.12 0.12 0.00 -0.53 0.00 0.00 54.79 53.26 1xmf n ASP 338 Cb 0.03 0.00 0.23 0.00 -0.64 0.00 0.00 41.12 40.74 1xmf n ASP 338 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xmf n ALA 339 N -0.06 3.29 -0.03 2.24 0.00 -1.15 -2.34 120.51 122.46 1xmf n ALA 339 Ca 0.00 -0.50 -0.21 0.00 0.00 0.00 0.00 53.44 52.73 1xmf n ALA 339 Cb 0.24 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.56 1xmf n ALA 339 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1xmf h TYR 340 N 1.65 0.31 0.00 0.00 3.20 -1.85 -3.39 116.97 116.88 1xmf h TYR 340 Ca 0.00 -0.23 -0.02 0.00 3.14 0.00 0.00 58.73 61.63 1xmf h TYR 340 Cb 0.60 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 1xmf h TYR 340 CO 0.00 1.57 -1.42 0.91 -1.64 0.00 0.00 178.16 177.58 1xmf n TRP 341 N -4.00 0.00 -0.15 -3.82 7.02 -1.26 -4.75 117.44 110.48 1xmf n TRP 341 Ca -0.28 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.16 1xmf n TRP 341 Cb 0.85 -0.22 0.02 0.00 -2.42 0.00 0.00 31.31 29.54 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 0.75 0.14 -0.13 6.99 0.00 -1.74 0.15 119.26 125.43 1xmf h ALA 342 Ca -0.02 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1xmf h ALA 342 Cb 0.52 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1xmf h ALA 342 CO 0.00 -0.55 -0.05 1.12 0.00 0.00 0.00 179.25 179.77 1xmf h HIS 343 N -0.11 0.20 -0.16 0.00 2.07 -1.80 -0.04 115.15 115.31 1xmf h HIS 343 Ca 0.23 -0.01 -0.22 0.00 -2.85 0.00 0.00 60.37 57.51 1xmf h HIS 343 Cb 0.46 -0.06 0.01 0.00 2.57 0.00 0.00 27.41 30.39 1xmf h HIS 343 CO -0.49 0.26 -0.77 0.45 -3.07 0.00 0.00 177.93 174.31 1xmf h HIS 344 N 0.19 1.08 -0.79 6.12 -0.00 -1.46 -1.72 115.15 118.57 1xmf h HIS 344 Ca 0.04 -0.47 0.02 0.00 -0.00 0.00 0.00 60.37 59.95 1xmf h HIS 344 Cb 0.23 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 27.43 1xmf h HIS 344 CO 0.00 1.31 0.52 -0.44 -0.00 0.00 0.00 177.93 179.33 1xmf h ASP 345 N 0.54 0.89 0.30 2.45 3.45 -0.08 -3.09 116.42 120.89 1xmf h ASP 345 Ca -0.05 -0.02 -0.23 0.00 0.43 0.00 0.00 57.03 57.16 1xmf h ASP 345 Cb 1.40 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 39.96 1xmf h ASP 345 CO 0.16 0.64 -0.95 0.25 -1.57 0.00 0.00 179.24 177.76 1xmf h LEU 346 N 1.05 0.57 -1.25 1.55 5.85 -0.85 -3.19 115.31 119.04 1xmf h LEU 346 Ca 0.30 -0.46 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 1xmf h LEU 346 Cb -0.08 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1xmf h LEU 346 CO -0.07 1.26 -0.37 0.22 -0.34 0.00 0.00 178.44 179.13 1xmf h TYR 347 N 0.25 0.00 -0.49 1.25 3.20 -1.25 0.68 116.97 120.60 1xmf h TYR 347 Ca -0.08 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.86 1xmf h TYR 347 Cb 1.59 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.80 1xmf h TYR 347 CO 0.06 0.37 0.15 -0.07 -1.64 0.00 0.00 178.16 177.04 1xmf h LEU 348 N 0.00 0.12 -0.09 2.82 3.38 -1.53 0.33 115.31 120.35 1xmf h LEU 348 Ca -0.00 0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.83 1xmf h LEU 348 Cb 0.67 0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.50 1xmf h LEU 348 CO 0.05 0.10 -0.76 -0.07 0.09 0.00 0.00 178.44 177.84 1xmf h LEU 349 N 0.31 0.82 -0.66 1.67 3.38 -1.39 -1.55 115.31 117.89 1xmf h LEU 349 Ca 0.24 -0.68 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1xmf h LEU 349 Cb 0.28 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1xmf h LEU 349 CO -0.27 1.37 0.39 0.00 0.09 0.00 0.00 178.44 180.02 1xmf h ALA 350 N 0.47 0.84 -0.13 1.53 0.00 -0.61 -0.91 119.26 120.45 1xmf h ALA 350 Ca -0.07 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1xmf h ALA 350 Cb 1.41 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1xmf h ALA 350 CO 0.15 0.33 -0.24 -0.92 0.00 0.00 0.00 179.25 178.57 1xmf h TYR 351 N 0.89 0.49 -0.68 0.00 3.20 -1.00 -2.07 116.97 117.81 1xmf h TYR 351 Ca 0.23 -0.17 0.20 0.00 3.14 0.00 0.00 58.73 62.13 1xmf h TYR 351 Cb -0.01 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1xmf h TYR 351 CO -0.01 0.86 0.51 0.00 -1.64 0.00 0.00 178.16 177.87 1xmf h ALA 352 N 0.54 2.61 -0.28 1.82 0.00 -1.02 -0.40 119.26 122.54 1xmf h ALA 352 Ca 0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1xmf h ALA 352 Cb 0.83 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1xmf h ALA 352 CO 0.05 -0.86 -0.14 1.28 0.00 0.00 0.00 179.25 179.58 1xmf n LEU 353 N -4.24 3.83 -0.24 0.00 4.77 -0.37 -2.50 117.00 118.25 1xmf n LEU 353 Ca 0.13 -3.74 0.25 0.00 -0.03 0.00 0.00 56.01 52.63 1xmf n LEU 353 Cb 0.77 -0.61 0.62 0.00 -2.33 0.00 0.00 43.42 41.87 1xmf n LEU 353 CO 0.37 1.24 1.25 4.11 -1.33 0.00 0.00 177.39 183.02 1xmf h TRP 354 N 1.02 0.30 0.00 -1.77 5.08 -0.34 -0.65 115.95 119.59 1xmf h TRP 354 Ca 0.17 0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.15 1xmf h TRP 354 Cb 1.52 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 27.59 1xmf h TRP 354 CO 0.93 0.06 0.00 -2.30 -1.28 0.00 0.00 178.44 175.85 1xmf n PRO 355 N -4.41 0.11 -0.01 0.12 -0.02 -1.26 -2.17 135.00 127.37 1xmf n PRO 355 Ca 0.21 0.21 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 1xmf n PRO 355 Cb 0.89 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 33.04 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 -1.29 0.01 -2.86 3.45 -2.24 -0.25 -4.90 114.28 106.21 1xmf n THR 356 Ca 0.04 -0.47 -0.14 0.00 -2.27 0.00 0.00 64.05 61.21 1xmf n THR 356 Cb 0.07 1.33 0.06 0.00 -2.10 0.00 0.00 70.33 69.68 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 1.33 1.55 1.13 3.38 0.00 -0.92 -0.56 105.19 111.09 1xmf n GLY 357 Ca 0.15 -2.14 -0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.02 0.58 -3.68 1.61 1.16 -1.26 -4.11 117.46 109.74 1xmf n PHE 358 Ca 0.11 -1.50 -0.10 0.00 -1.87 0.00 0.00 57.45 54.09 1xmf n PHE 358 Cb 0.40 -0.25 -0.05 0.00 -1.61 0.00 0.00 39.48 37.97 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 -2.80 -0.14 -0.16 2.97 -0.12 -1.26 -4.22 117.98 112.24 1xmf s PHE 359 Ca 0.39 -0.18 -0.11 0.00 -0.05 0.00 0.00 56.93 56.99 1xmf s PHE 359 Cb 0.38 0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.91 1xmf s PHE 359 CO -0.06 -0.65 0.19 1.03 -0.05 0.00 0.00 175.22 175.68 1xmf s ARG 360 N -3.68 4.06 0.21 1.99 0.52 -1.26 -3.35 118.95 117.44 1xmf s ARG 360 Ca 0.02 -0.08 0.09 0.00 -0.52 0.00 0.00 55.73 55.24 1xmf s ARG 360 Cb 0.02 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.08 1xmf s ARG 360 CO -0.11 0.39 -0.05 -0.51 0.02 0.00 0.00 175.30 175.04 1xmf s LEU 361 N 0.07 3.11 0.03 2.53 1.43 0.22 -4.85 118.68 121.22 1xmf s LEU 361 Ca 0.13 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1xmf s LEU 361 Cb -0.12 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1xmf s LEU 361 CO 0.02 0.06 -0.15 0.00 0.23 0.00 0.00 176.35 176.51 1xmf s ALA 362 N -1.95 1.26 0.50 4.21 0.00 -1.26 -0.59 121.76 123.93 1xmf s ALA 362 Ca 0.28 -0.80 -0.21 0.00 0.00 0.00 0.00 51.96 51.23 1xmf s ALA 362 Cb -0.08 -0.24 -0.07 0.00 0.00 0.00 0.00 23.12 22.73 1xmf s ALA 362 CO 0.17 0.27 1.12 -0.51 0.00 0.00 0.00 175.76 176.81 1xmf s LEU 363 N -0.91 3.86 0.18 0.00 1.43 -1.26 -4.93 118.68 117.05 1xmf s LEU 363 Ca 0.04 2.17 -0.32 0.00 -1.03 0.00 0.00 54.13 54.99 1xmf s LEU 363 Cb -0.07 -4.46 -0.11 0.00 0.03 0.00 0.00 46.19 41.58 1xmf s LEU 363 CO 0.01 -1.03 1.67 -2.84 0.23 0.00 0.00 176.35 174.38 1xmf s PRO 364 N -3.06 4.16 0.89 1.29 0.02 -1.26 -4.98 135.00 132.06 1xmf s PRO 364 Ca 0.69 2.50 -0.15 0.00 0.02 0.00 0.00 61.00 64.05 1xmf s PRO 364 Cb -0.24 -3.16 0.21 0.00 0.02 0.00 0.00 34.50 31.33 1xmf s PRO 364 CO 0.28 -0.70 1.08 -0.40 -0.33 0.00 0.00 177.00 176.94 1xmf n ASP 365 N 4.16 -0.43 -0.05 2.53 3.85 -1.26 -4.78 116.55 120.57 1xmf n ASP 365 Ca 0.15 -1.32 -0.11 0.00 -0.71 0.00 0.00 54.79 52.80 1xmf n ASP 365 Cb 0.37 -0.87 -0.05 0.00 -1.35 0.00 0.00 41.12 39.22 1xmf n ASP 365 CO 0.00 0.00 0.00 -0.61 -1.01 0.00 0.00 177.20 175.58 1xmf h GLN 366 N 0.00 0.29 -0.56 0.11 5.75 -2.00 -1.72 115.11 116.98 1xmf h GLN 366 Ca -0.36 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.08 1xmf h GLN 366 Cb 1.03 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.51 1xmf h GLN 366 CO 0.25 0.41 0.37 1.49 -2.65 0.00 0.00 178.83 178.71 1xmf h GLU 367 N 0.11 0.73 -0.18 1.69 4.81 -2.01 -2.47 114.58 117.27 1xmf h GLU 367 Ca 0.06 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.07 1xmf h GLU 367 Cb 0.25 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.47 1xmf h GLU 367 CO -0.00 0.49 -0.58 0.93 -0.73 0.00 0.00 179.01 179.12 1xmf h GLU 368 N 0.76 0.70 -0.85 1.92 5.08 -1.89 -2.96 114.58 117.34 1xmf h GLU 368 Ca 0.21 -0.52 0.07 0.00 -1.00 0.00 0.00 59.36 58.12 1xmf h GLU 368 Cb -0.08 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 1xmf h GLU 368 CO -0.05 1.14 0.55 0.52 -1.00 0.00 0.00 179.01 180.18 1xmf h MET 369 N 0.40 0.89 -0.08 2.33 2.86 -0.86 0.66 114.93 121.13 1xmf h MET 369 Ca -0.02 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1xmf h MET 369 Cb 1.20 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.66 1xmf h MET 369 CO 0.12 0.59 0.04 0.93 1.06 0.00 0.00 176.91 179.65 1xmf h GLU 370 N 0.91 0.12 -0.31 1.72 5.08 -1.45 0.06 114.58 120.72 1xmf h GLU 370 Ca 0.37 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.77 1xmf h GLU 370 Cb 0.27 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1xmf h GLU 370 CO -0.14 0.19 0.00 2.35 -1.00 0.00 0.00 179.01 180.41 1xmf h TRP 371 N 0.02 -0.01 -0.02 4.33 7.01 -1.11 0.23 115.95 126.40 1xmf h TRP 371 Ca 0.03 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.07 1xmf h TRP 371 Cb 0.11 0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 1xmf h TRP 371 CO -0.04 -0.05 -0.06 0.74 -2.79 0.00 0.00 178.44 176.24 1xmf h PHE 372 N 0.10 -0.15 -0.20 2.65 0.05 -0.68 -0.50 116.94 118.20 1xmf h PHE 372 Ca 0.15 0.01 -0.05 0.00 3.82 0.00 0.00 57.97 61.90 1xmf h PHE 372 Cb 0.20 0.07 -0.01 0.00 2.00 0.00 0.00 35.95 38.21 1xmf h PHE 372 CO -0.23 -0.10 -0.10 1.49 -0.18 0.00 0.00 178.31 179.20 1xmf h GLU 373 N -0.10 0.32 -0.09 1.51 4.57 -0.49 0.35 114.58 120.66 1xmf h GLU 373 Ca 0.03 -0.07 -0.20 0.00 -1.18 0.00 0.00 59.36 57.94 1xmf h GLU 373 Cb 0.14 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1xmf h GLU 373 CO -0.08 0.43 -0.77 0.00 -1.18 0.00 0.00 179.01 177.41 1xmf h ALA 374 N 1.60 0.49 0.00 2.92 0.00 -0.18 -3.06 119.26 121.02 1xmf h ALA 374 Ca 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1xmf h ALA 374 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xmf h ALA 374 CO 0.02 0.75 -0.83 0.09 0.00 0.00 0.00 179.25 179.28 1xmf n ASN 375 N -3.85 0.63 -3.18 0.00 3.02 -0.23 -4.60 115.26 107.05 1xmf n ASN 375 Ca -0.05 -0.16 -0.19 0.00 -0.03 0.00 0.00 54.58 54.15 1xmf n ASN 375 Cb 0.74 0.53 -0.06 0.00 -0.61 0.00 0.00 39.78 40.38 1xmf n ASN 375 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1xmf s TYR 376 N -3.15 0.14 0.03 3.10 1.51 0.12 -5.05 117.35 114.06 1xmf s TYR 376 Ca 0.06 -1.70 -0.37 0.00 -1.01 0.00 0.00 57.07 54.05 1xmf s TYR 376 Cb 0.15 -0.49 -0.16 0.00 -0.11 0.00 0.00 41.96 41.35 1xmf s TYR 376 CO 0.76 -0.98 1.45 -2.30 -1.11 0.00 0.00 175.55 173.37 1xmf n PRO 377 N 2.91 1.31 0.00 -1.71 -0.02 -1.16 -1.45 135.00 134.88 1xmf n PRO 377 Ca 0.25 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1xmf n PRO 377 Cb 0.51 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 2.96 0.32 0.21 -1.23 0.00 -1.26 -4.95 105.19 101.24 1xmf n GLY 378 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 0.66 -0.04 1.61 7.01 -1.56 -3.10 115.95 120.53 1xmf h TRP 379 Ca 0.00 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 1xmf h TRP 379 Cb 0.00 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 26.84 1xmf h TRP 379 CO 0.00 0.45 0.00 -0.92 -2.79 0.00 0.00 178.44 175.18 1xmf h TYR 380 N 0.67 0.07 0.00 2.65 5.03 -1.91 0.72 116.97 124.21 1xmf h TYR 380 Ca 0.18 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.48 1xmf h TYR 380 Cb -0.02 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.24 1xmf h TYR 380 CO -0.03 0.32 0.00 -0.44 -1.32 0.00 0.00 178.16 176.69 1xmf h ASP 381 N -0.20 0.00 0.00 -2.11 3.32 -1.96 0.04 116.42 115.52 1xmf h ASP 381 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1xmf h ASP 381 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1xmf h ASP 381 CO 0.00 0.00 0.00 1.57 -1.72 0.00 0.00 179.24 179.09 1xmf n HIS 382 N -2.36 0.00 -0.04 4.55 -0.00 -1.12 -4.68 115.22 111.57 1xmf n HIS 382 Ca -0.01 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.03 1xmf n HIS 382 Cb 0.06 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 29.81 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 -0.00 -0.43 1.57 -1.99 -1.00 -3.26 116.97 111.85 1xmf h TYR 383 Ca 0.00 -0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.79 1xmf h TYR 383 Cb 0.00 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 38.64 1xmf h TYR 383 CO 0.00 0.72 -0.49 0.78 -0.00 0.00 0.00 178.16 179.17 1xmf h GLY 384 N -0.73 -0.76 1.10 3.88 0.00 -1.06 0.43 103.07 105.94 1xmf h GLY 384 Ca -0.00 0.63 0.09 0.00 0.00 0.00 0.00 47.33 48.05 1xmf h GLY 384 CO 0.00 -0.15 0.39 0.50 0.00 0.00 0.00 176.54 177.28 1xmf h LYS 385 N -0.35 0.43 -0.12 4.80 1.57 -1.14 -0.87 116.57 120.90 1xmf h LYS 385 Ca 0.11 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1xmf h LYS 385 Cb 0.59 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1xmf h LYS 385 CO -0.60 0.28 -0.18 0.82 -0.57 0.00 0.00 179.45 179.20 1xmf h ILE 386 N 0.44 1.37 -0.91 1.86 2.04 -1.23 -2.39 117.51 118.70 1xmf h ILE 386 Ca 0.27 -1.41 0.01 0.00 1.00 0.00 0.00 64.86 64.72 1xmf h ILE 386 Cb 0.47 2.02 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 1xmf h ILE 386 CO -0.07 0.41 0.60 1.88 0.00 0.00 0.00 178.15 180.97 1xmf h TYR 387 N -0.09 1.15 -0.74 1.37 0.99 -0.16 -0.59 116.97 118.91 1xmf h TYR 387 Ca 0.01 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 1xmf h TYR 387 Cb 0.74 -0.39 -0.03 0.00 1.00 0.00 0.00 36.73 38.05 1xmf h TYR 387 CO 0.10 0.72 0.38 0.93 -0.00 0.00 0.00 178.16 180.29 1xmf h GLU 388 N 1.24 1.04 -0.25 4.88 5.08 -1.15 -2.26 114.58 123.15 1xmf h GLU 388 Ca 0.33 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1xmf h GLU 388 Cb -0.14 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.90 1xmf h GLU 388 CO -0.07 0.80 0.10 1.49 -1.00 0.00 0.00 179.01 180.32 1xmf h GLU 389 N 1.02 0.38 -0.78 2.33 4.57 -0.80 -1.85 114.58 119.45 1xmf h GLU 389 Ca 0.26 -0.07 0.05 0.00 -1.18 0.00 0.00 59.36 58.41 1xmf h GLU 389 Cb 0.08 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.56 1xmf h GLU 389 CO -0.04 0.43 0.51 -1.49 -1.18 0.00 0.00 179.01 177.24 1xmf h TRP 390 N 0.25 0.89 -0.11 0.92 6.55 -0.89 0.29 115.95 123.85 1xmf h TRP 390 Ca 0.08 0.02 -0.15 0.00 0.95 0.00 0.00 58.89 59.80 1xmf h TRP 390 Cb 0.19 -0.30 -0.01 0.00 -0.86 0.00 0.00 29.16 28.18 1xmf h TRP 390 CO -0.01 0.50 -0.57 -0.09 -1.05 0.00 0.00 178.44 177.23 1xmf h ARG 391 N 0.91 0.35 -0.27 0.49 2.43 -1.20 -1.99 114.38 115.10 1xmf h ARG 391 Ca 0.32 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1xmf h ARG 391 Cb 0.13 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1xmf h ARG 391 CO -0.10 0.82 -0.08 0.00 -1.51 0.00 0.00 179.97 179.10 1xmf h ALA 392 N 1.13 1.36 0.00 2.80 0.00 -0.22 -0.95 119.26 123.38 1xmf h ALA 392 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xmf h ALA 392 Cb 1.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1xmf h ALA 392 CO 0.09 0.44 0.00 0.54 0.00 0.00 0.00 179.25 180.32 1xmf n ARG 393 N -4.25 0.03 -0.47 0.00 5.12 -0.08 -4.89 116.66 112.12 1xmf n ARG 393 Ca 0.01 0.20 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 1xmf n ARG 393 Cb 0.28 -1.55 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 1xmf n ARG 393 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xmf n GLY 394 N 0.48 0.72 0.43 -0.13 0.00 -0.36 -4.69 105.19 101.64 1xmf n GLY 394 Ca 0.04 -0.51 0.23 0.00 0.00 0.00 0.00 46.02 45.79 1xmf n GLY 394 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmf h GLU 396 N 0.00 0.01 -5.89 0.00 5.08 -1.86 -3.45 114.58 108.48 1xmf h GLU 396 Ca 0.29 -0.02 -0.57 0.00 -1.00 0.00 0.00 59.36 58.06 1xmf h GLU 396 Cb 1.53 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.72 1xmf h GLU 396 CO -0.00 0.66 0.05 0.34 -1.00 0.00 0.00 179.01 179.06 1xmf s ASP 397 N -6.30 6.85 0.33 1.42 2.15 0.11 -4.82 116.67 116.41 1xmf s ASP 397 Ca -0.03 1.03 0.03 0.00 0.43 0.00 0.00 52.55 54.00 1xmf s ASP 397 Cb 0.08 -2.37 0.63 0.00 -0.30 0.00 0.00 42.92 40.96 1xmf s ASP 397 CO 0.82 -0.13 1.94 -0.65 -0.17 0.00 0.00 175.17 176.99 1xmf h PRO 398 N 6.91 0.87 0.00 4.34 0.11 -1.82 -2.78 132.00 139.63 1xmf h PRO 398 Ca -0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xmf h PRO 398 Cb 1.18 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1xmf h PRO 398 CO 0.76 0.58 0.00 -1.13 -0.21 0.00 0.00 178.00 178.00 1xmf n SER 399 N -4.48 0.14 0.25 -2.05 3.41 -1.26 -3.54 113.62 106.08 1xmf n SER 399 Ca 0.12 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.32 1xmf n SER 399 Cb 0.20 -0.56 0.60 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.00 0.00 -1.32 4.04 4.64 -1.73 -3.46 113.55 115.72 1xmf h SER 400 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 1xmf h SER 400 Cb 0.39 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1xmf h SER 400 CO 0.00 0.08 -0.25 0.61 -0.87 0.00 0.00 176.83 176.41 1xmf n GLY 401 N -1.27 0.09 3.10 -0.77 0.00 -1.23 -4.99 105.19 100.13 1xmf n GLY 401 Ca -0.03 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.48 1.27 -0.04 1.61 5.36 -1.26 -4.93 117.98 117.51 1xmf s PHE 402 Ca 0.00 -0.25 0.01 0.00 -0.96 0.00 0.00 56.93 55.73 1xmf s PHE 402 Cb 0.00 -0.83 0.02 0.00 -0.34 0.00 0.00 43.02 41.88 1xmf s PHE 402 CO 0.00 -0.03 -0.03 0.42 -1.46 0.00 0.00 175.22 174.12 1xmf s ILE 403 N -0.28 0.37 0.56 3.12 1.09 -1.26 -4.57 121.20 120.23 1xmf s ILE 403 Ca 0.04 -0.04 0.41 0.00 -1.10 0.00 0.00 60.65 59.97 1xmf s ILE 403 Cb -0.06 -0.42 0.60 0.00 -1.06 0.00 0.00 42.46 41.52 1xmf s ILE 403 CO -0.00 0.18 1.70 -0.65 -0.10 0.00 0.00 174.94 176.07 1xmf h PRO 404 N 7.15 0.00 -0.85 2.79 0.11 -1.87 0.19 132.00 139.52 1xmf h PRO 404 Ca -0.40 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.85 1xmf h PRO 404 Cb 1.15 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.16 1xmf h PRO 404 CO 0.48 0.00 0.44 1.25 -0.21 0.00 0.00 178.00 179.96 1xmf h LEU 405 N 0.00 0.55 -1.20 2.35 5.85 -1.83 0.95 115.31 121.97 1xmf h LEU 405 Ca 0.68 0.09 0.15 0.00 0.84 0.00 0.00 57.88 59.63 1xmf h LEU 405 Cb 2.79 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 43.74 1xmf h LEU 405 CO -0.01 0.24 0.59 0.24 -0.34 0.00 0.00 178.44 179.17 1xmf h MET 406 N 0.64 0.74 -0.91 1.25 2.86 -0.94 -0.93 114.93 117.64 1xmf h MET 406 Ca 0.46 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 58.05 1xmf h MET 406 Cb 0.63 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1xmf h MET 406 CO -0.35 0.49 0.57 2.35 1.06 0.00 0.00 176.91 181.03 1xmf h TRP 407 N 0.76 1.18 -0.32 -0.22 7.01 -0.92 -0.13 115.95 123.31 1xmf h TRP 407 Ca 0.48 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.42 1xmf h TRP 407 Cb 0.71 -0.39 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 1xmf h TRP 407 CO -0.00 0.77 -0.05 0.74 -2.79 0.00 0.00 178.44 177.11 1xmf h PHE 408 N 1.25 0.54 0.32 2.65 -1.00 -1.06 -0.96 116.94 118.67 1xmf h PHE 408 Ca 0.33 -0.06 -0.02 0.00 2.81 0.00 0.00 57.97 61.03 1xmf h PHE 408 Cb -0.08 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.33 1xmf h PHE 408 CO -0.00 0.56 -0.15 0.82 -1.61 0.00 0.00 178.31 177.93 1xmf h ILE 409 N 0.48 0.51 -0.84 -0.55 2.04 -1.19 0.23 117.51 118.19 1xmf h ILE 409 Ca 0.10 -0.76 0.19 0.00 1.00 0.00 0.00 64.86 65.39 1xmf h ILE 409 Cb 0.39 0.80 -0.12 0.00 -0.74 0.00 0.00 36.82 37.16 1xmf h ILE 409 CO 0.02 0.11 0.32 -0.33 0.00 0.00 0.00 178.15 178.28 1xmf h GLU 410 N -0.94 0.37 -0.65 2.37 5.08 -0.93 -0.23 114.58 119.66 1xmf h GLU 410 Ca -0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1xmf h GLU 410 Cb 0.51 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1xmf h GLU 410 CO 0.07 0.24 0.00 0.09 -1.00 0.00 0.00 179.01 178.42 1xmf n ASN 411 N -5.06 4.37 -3.72 1.42 3.02 -0.38 -4.97 115.26 109.94 1xmf n ASN 411 Ca 0.19 -2.55 -0.25 0.00 -0.03 0.00 0.00 54.58 51.94 1xmf n ASN 411 Cb 0.57 -0.58 0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1xmf n ASN 411 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1xmf n ASN 412 N 0.70 -5.21 -3.64 6.41 2.85 -0.10 -4.97 115.26 111.30 1xmf n ASN 412 Ca 0.22 -0.90 -0.29 0.00 -0.11 0.00 0.00 54.58 53.50 1xmf n ASN 412 Cb 0.88 -2.38 -0.12 0.00 1.24 0.00 0.00 39.78 39.40 1xmf n ASN 412 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1xmf s HIS 413 N -3.13 1.92 0.52 1.20 3.76 0.75 -5.03 115.29 115.28 1xmf s HIS 413 Ca 0.13 -2.49 -0.22 0.00 -0.15 0.00 0.00 55.06 52.34 1xmf s HIS 413 Cb -0.06 -1.68 -0.06 0.00 1.11 0.00 0.00 32.58 31.89 1xmf s HIS 413 CO 0.88 -0.75 1.25 -1.25 -0.85 0.00 0.00 174.74 174.02 1xmf s PRO 414 N 0.01 3.35 -0.19 8.40 0.04 -1.26 -4.64 135.00 140.69 1xmf s PRO 414 Ca 0.23 1.97 -0.05 0.00 0.04 0.00 0.00 61.00 63.19 1xmf s PRO 414 Cb -0.13 -2.25 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 1xmf s PRO 414 CO -0.08 -0.94 -0.00 0.42 0.04 0.00 0.00 177.00 176.43 1xmf s ILE 415 N -1.46 3.99 0.35 0.56 1.01 -1.26 -4.58 121.20 119.82 1xmf s ILE 415 Ca 0.70 -0.31 0.08 0.00 0.00 0.00 0.00 60.65 61.12 1xmf s ILE 415 Cb -0.34 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 1xmf s ILE 415 CO 0.40 0.44 0.18 -0.31 0.00 0.00 0.00 174.94 175.64 1xmf s TYR 416 N 0.88 2.72 -0.10 3.97 1.51 -0.19 -4.74 117.35 121.40 1xmf s TYR 416 Ca 0.01 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.71 1xmf s TYR 416 Cb -0.14 -1.72 0.00 0.00 -0.11 0.00 0.00 41.96 39.99 1xmf s TYR 416 CO 0.02 0.28 -0.22 0.42 -1.11 0.00 0.00 175.55 174.94 1xmf s ILE 417 N -2.43 1.90 -0.40 2.71 -1.09 -1.26 -0.97 121.20 119.66 1xmf s ILE 417 Ca 0.39 -0.92 -0.28 0.00 -2.23 0.00 0.00 60.65 57.61 1xmf s ILE 417 Cb -0.02 -1.66 -0.01 0.00 -1.58 0.00 0.00 42.46 39.19 1xmf s ILE 417 CO 0.23 0.52 1.70 -0.62 -1.23 0.00 0.00 174.94 175.55 1xmf s ASP 418 N 0.46 5.92 0.57 3.58 2.15 -0.94 -4.63 116.67 123.79 1xmf s ASP 418 Ca -0.17 1.02 0.39 0.00 0.43 0.00 0.00 52.55 54.23 1xmf s ASP 418 Cb -0.17 -2.53 1.47 0.00 -0.30 0.00 0.00 42.92 41.39 1xmf s ASP 418 CO 0.07 -1.74 1.60 -0.09 -0.17 0.00 0.00 175.17 174.84 1xmf h ARG 419 N 12.60 0.00 0.00 4.34 9.65 -1.75 0.77 114.38 139.99 1xmf h ARG 419 Ca -0.31 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.57 1xmf h ARG 419 Cb 1.15 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 1xmf h ARG 419 CO 1.07 0.00 -0.15 0.28 2.80 0.00 0.00 179.97 183.97 1xmf n VAL 420 N -3.81 0.39 0.38 0.20 0.31 -1.26 -4.58 118.33 109.96 1xmf n VAL 420 Ca 0.31 0.42 0.13 0.00 -0.01 0.00 0.00 64.34 65.19 1xmf n VAL 420 Cb 1.57 -1.74 0.39 0.00 -0.91 0.00 0.00 33.84 33.15 1xmf n VAL 420 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1xmf h SER 421 N -0.28 0.00 0.00 4.52 4.64 -1.92 -3.47 113.55 117.05 1xmf h SER 421 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xmf h SER 421 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1xmf h SER 421 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1xmf n GLN 422 N -2.73 -0.40 -2.40 4.77 1.13 0.27 -4.17 117.38 113.86 1xmf n GLN 422 Ca 0.03 0.10 -0.42 0.00 -1.94 0.00 0.00 57.00 54.77 1xmf n GLN 422 Cb 0.41 -3.51 -0.03 0.00 0.11 0.00 0.00 30.24 27.22 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 -2.22 4.12 0.28 5.09 1.01 -1.26 -4.48 120.40 122.95 1xmf s VAL 423 Ca 0.00 1.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.14 1xmf s VAL 423 Cb 0.00 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 1xmf s VAL 423 CO 0.00 -0.02 1.26 -2.84 0.00 0.00 0.00 175.10 173.51 1xmf s PRO 424 N 2.40 4.43 -0.01 2.72 0.02 -1.26 -2.20 135.00 141.10 1xmf s PRO 424 Ca 0.58 2.08 -0.08 0.00 0.02 0.00 0.00 61.00 63.61 1xmf s PRO 424 Cb -0.26 -3.13 0.01 0.00 0.02 0.00 0.00 34.50 31.13 1xmf s PRO 424 CO 0.22 -0.12 0.15 -0.59 -0.33 0.00 0.00 177.00 176.34 1xmf s PHE 425 N -0.79 -0.01 -0.58 6.54 -0.71 -0.15 -4.92 117.98 117.37 1xmf s PHE 425 Ca 0.50 -0.02 0.04 0.00 -1.04 0.00 0.00 56.93 56.41 1xmf s PHE 425 Cb -0.37 -0.02 0.15 0.00 -1.21 0.00 0.00 43.02 41.57 1xmf s PHE 425 CO 0.46 -0.26 0.37 0.00 -1.34 0.00 0.00 175.22 174.45 1xmf h PRO 427 N 5.95 0.00 0.00 0.00 0.13 -1.87 0.45 132.00 136.66 1xmf h PRO 427 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1xmf h PRO 427 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1xmf h PRO 427 CO 0.63 0.00 -0.05 -1.13 -0.23 0.00 0.00 178.00 177.22 1xmf n SER 428 N -4.00 0.45 0.00 1.44 3.41 -1.26 -4.07 113.62 109.58 1xmf n SER 428 Ca 0.14 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1xmf n SER 428 Cb 0.84 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.90 0.00 -4.45 1.04 7.94 -0.07 -5.08 117.00 114.48 1xmf n LEU 429 Ca 0.06 -0.02 -0.32 0.00 -1.11 0.00 0.00 56.01 54.62 1xmf n LEU 429 Cb 0.39 0.00 0.14 0.00 0.53 0.00 0.00 43.42 44.48 1xmf n LEU 429 CO 0.29 0.00 0.02 0.00 -1.11 0.00 0.00 177.39 176.59 1xmf n ALA 430 N -0.99 -2.46 -0.43 1.96 0.00 0.14 -4.94 120.51 113.80 1xmf n ALA 430 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1xmf n ALA 430 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 -2.26 -0.09 0.00 0.00 4.81 -1.26 -4.88 118.16 114.49 1xmf n LYS 431 Ca 0.07 -0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.06 1xmf n LYS 431 Cb 0.54 -0.79 0.00 0.00 0.02 0.00 0.00 35.03 34.80 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 -0.06 0.47 3.20 3.14 0.00 -1.26 -4.77 105.19 105.90 1xmf n GLY 432 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1xmf n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmf n ALA 433 N -3.00 4.60 0.59 4.61 0.00 -1.26 -4.87 120.51 121.18 1xmf n ALA 433 Ca 0.00 -4.53 0.00 0.00 0.00 0.00 0.00 53.44 48.91 1xmf n ALA 433 Cb 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 16.76 1xmf n ALA 433 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xmf n SER 434 N 3.33 2.82 -4.44 0.00 3.41 -1.26 -4.74 113.62 112.74 1xmf n SER 434 Ca 0.31 -1.74 -0.44 0.00 -0.26 0.00 0.00 58.87 56.74 1xmf n SER 434 Cb 0.38 -0.51 -0.01 0.00 -0.26 0.00 0.00 64.21 63.81 1xmf n SER 434 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xmf s THR 435 N 0.21 4.97 0.27 6.66 -4.23 -1.25 -4.79 115.64 117.48 1xmf s THR 435 Ca 0.00 -2.17 -0.29 0.00 -1.18 0.00 0.00 61.69 58.05 1xmf s THR 435 Cb 0.00 -4.81 -0.09 0.00 1.34 0.00 0.00 72.50 68.94 1xmf s THR 435 CO 0.00 -1.51 1.14 -0.22 -0.54 0.00 0.00 174.62 173.49 1xmf s LEU 436 N 1.88 4.52 -0.06 4.79 2.96 -1.26 -3.89 118.68 127.62 1xmf s LEU 436 Ca 0.36 2.31 -0.00 0.00 -0.22 0.00 0.00 54.13 56.58 1xmf s LEU 436 Cb -0.04 -3.63 0.03 0.00 0.50 0.00 0.00 46.19 43.05 1xmf s LEU 436 CO -0.05 -0.23 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.60 1xmf s ARG 437 N -1.24 0.63 -0.16 1.98 3.00 -0.80 -4.99 118.95 117.37 1xmf s ARG 437 Ca 0.47 0.03 0.01 0.00 0.00 0.00 0.00 55.73 56.24 1xmf s ARG 437 Cb -0.33 -0.85 0.01 0.00 0.00 0.00 0.00 34.95 33.79 1xmf s ARG 437 CO 0.42 -0.20 -0.20 0.08 0.00 0.00 0.00 175.30 175.40 1xmf s VAL 438 N 1.46 2.19 0.12 3.52 1.01 -1.26 -1.16 120.40 126.28 1xmf s VAL 438 Ca -0.03 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.12 1xmf s VAL 438 Cb -0.13 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1xmf s VAL 438 CO -0.03 0.54 -0.21 -1.00 0.00 0.00 0.00 175.10 174.40 1xmf s HIS 439 N 1.00 1.87 -0.05 5.22 3.76 -0.51 -4.99 115.29 121.60 1xmf s HIS 439 Ca -0.02 -0.42 0.05 0.00 -0.15 0.00 0.00 55.06 54.52 1xmf s HIS 439 Cb -0.15 -1.01 -0.02 0.00 1.11 0.00 0.00 32.58 32.52 1xmf s HIS 439 CO -0.06 0.25 -0.20 -2.00 -0.85 0.00 0.00 174.74 171.88 1xmf s GLU 440 N -2.09 2.44 -0.17 1.40 2.12 -1.26 -0.63 118.70 120.51 1xmf s GLU 440 Ca 0.09 -0.82 -0.08 0.00 0.36 0.00 0.00 54.97 54.53 1xmf s GLU 440 Cb -0.09 -2.24 0.07 0.00 0.26 0.00 0.00 34.13 32.13 1xmf s GLU 440 CO 0.05 0.52 0.39 -0.47 -0.54 0.00 0.00 175.26 175.21 1xmf s TYR 441 N -0.50 -0.63 -1.48 5.30 6.14 0.95 -4.94 117.35 122.19 1xmf s TYR 441 Ca 0.06 1.30 -0.05 0.00 0.64 0.00 0.00 57.07 59.02 1xmf s TYR 441 Cb -0.11 0.24 0.01 0.00 0.42 0.00 0.00 41.96 42.51 1xmf s TYR 441 CO 0.01 -0.38 0.15 -1.71 0.64 0.00 0.00 175.55 174.26 1xmf n ASN 442 N 4.66 0.09 -0.09 4.32 4.05 -1.26 -1.27 115.26 125.76 1xmf n ASN 442 Ca -0.18 -1.24 -0.01 0.00 0.45 0.00 0.00 54.58 53.59 1xmf n ASN 442 Cb 0.53 -1.82 -0.01 0.00 1.23 0.00 0.00 39.78 39.72 1xmf n ASN 442 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1xmf n GLY 443 N -2.44 0.49 2.95 8.20 0.00 -1.26 -5.04 105.19 108.09 1xmf n GLY 443 Ca -0.30 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.71 0.20 -0.13 1.61 2.56 -0.40 -5.15 118.70 115.68 1xmf s GLU 444 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 54.97 54.57 1xmf s GLU 444 Cb 0.00 0.08 -0.04 0.00 2.00 0.00 0.00 34.13 36.16 1xmf s GLU 444 CO 0.00 -0.04 0.12 -1.64 -0.56 0.00 0.00 175.26 173.15 1xmf s MET 445 N -0.84 3.52 -0.04 4.30 -1.94 -1.26 -0.03 119.30 123.00 1xmf s MET 445 Ca -0.09 -0.18 0.03 0.00 -1.71 0.00 0.00 55.69 53.73 1xmf s MET 445 Cb -0.06 -3.18 0.01 0.00 2.01 0.00 0.00 34.83 33.61 1xmf s MET 445 CO -0.00 0.68 -0.11 -1.01 -0.01 0.00 0.00 175.02 174.57 1xmf s HIS 446 N -0.76 1.19 -0.13 -0.03 0.09 0.20 -5.00 115.29 110.85 1xmf s HIS 446 Ca 0.13 -0.35 0.02 0.00 -0.00 0.00 0.00 55.06 54.86 1xmf s HIS 446 Cb -0.12 -0.86 -0.00 0.00 -0.00 0.00 0.00 32.58 31.60 1xmf s HIS 446 CO 0.03 -0.17 -0.18 0.95 -0.00 0.00 0.00 174.74 175.37 1xmf s THR 447 N 0.38 2.53 0.25 1.30 -4.23 -1.26 -1.43 115.64 113.17 1xmf s THR 447 Ca -0.07 -0.84 0.11 0.00 -1.18 0.00 0.00 61.69 59.71 1xmf s THR 447 Cb -0.12 -2.03 -0.05 0.00 1.34 0.00 0.00 72.50 71.65 1xmf s THR 447 CO 0.02 0.54 -0.19 -0.36 -0.54 0.00 0.00 174.62 174.08 1xmf s PHE 448 N 0.48 2.34 -0.68 3.99 0.40 -0.31 -1.93 117.98 122.28 1xmf s PHE 448 Ca -0.12 -0.33 0.08 0.00 -0.60 0.00 0.00 56.93 55.96 1xmf s PHE 448 Cb -0.17 -1.07 -0.02 0.00 0.51 0.00 0.00 43.02 42.28 1xmf s PHE 448 CO 0.05 0.63 0.52 -1.13 0.70 0.00 0.00 175.22 176.00 1xmf n SER 449 N -0.33 0.94 -3.94 1.36 3.41 -1.26 -1.91 113.62 111.89 1xmf n SER 449 Ca -0.08 -0.97 -0.09 0.00 -0.26 0.00 0.00 58.87 57.48 1xmf n SER 449 Cb 0.58 0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 65.08 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 -1.34 -0.15 0.43 4.04 -4.77 -1.25 -3.96 116.67 109.67 1xmf s ASP 450 Ca 0.06 -0.81 0.24 0.00 -3.30 0.00 0.00 52.55 48.74 1xmf s ASP 450 Cb 0.07 0.62 0.69 0.00 -1.09 0.00 0.00 42.92 43.21 1xmf s ASP 450 CO 0.24 -1.18 1.73 0.06 0.70 0.00 0.00 175.17 176.72 1xmf h GLN 451 N 2.19 0.00 0.13 2.11 3.07 -1.97 -2.90 115.11 117.75 1xmf h GLN 451 Ca -0.25 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.49 1xmf h GLN 451 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.81 1xmf h GLN 451 CO 0.33 0.18 -0.06 -1.49 0.09 0.00 0.00 178.83 177.87 1xmf h TRP 452 N 0.00 -0.17 -0.13 0.06 4.06 -2.00 -2.58 115.95 115.20 1xmf h TRP 452 Ca -0.00 -0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 1xmf h TRP 452 Cb 0.89 0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 29.10 1xmf h TRP 452 CO 0.00 0.17 0.07 0.78 -3.56 0.00 0.00 178.44 175.90 1xmf h GLY 453 N -0.98 0.18 0.95 1.49 0.00 -1.99 -1.88 103.07 100.85 1xmf h GLY 453 Ca -0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 1xmf h GLY 453 CO 0.03 0.07 0.03 -2.09 0.00 0.00 0.00 176.54 174.58 1xmf h GLU 454 N 0.17 0.72 -0.74 4.80 4.81 -1.57 -1.86 114.58 120.90 1xmf h GLU 454 Ca 0.05 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 1xmf h GLU 454 Cb 0.01 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1xmf h GLU 454 CO -0.01 0.78 0.29 -0.09 -0.73 0.00 0.00 179.01 179.25 1xmf h ARG 455 N 0.56 1.11 -0.07 1.92 2.43 -0.94 0.28 114.38 119.66 1xmf h ARG 455 Ca 0.12 -0.20 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1xmf h ARG 455 Cb 0.43 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1xmf h ARG 455 CO 0.02 0.90 -0.11 0.52 -1.51 0.00 0.00 179.97 179.79 1xmf h MET 456 N 1.08 -0.14 -0.45 0.20 2.86 -1.11 0.04 114.93 117.41 1xmf h MET 456 Ca 0.25 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.84 1xmf h MET 456 Cb 0.22 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1xmf h MET 456 CO -0.02 -0.10 0.04 2.35 1.06 0.00 0.00 176.91 180.24 1xmf h TRP 457 N -0.15 0.82 -0.77 -0.22 7.01 -1.07 0.14 115.95 121.71 1xmf h TRP 457 Ca 0.06 -0.13 0.03 0.00 2.11 0.00 0.00 58.89 60.96 1xmf h TRP 457 Cb 0.24 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 27.04 1xmf h TRP 457 CO -0.20 0.79 0.51 -0.07 -2.79 0.00 0.00 178.44 176.68 1xmf h LEU 458 N 0.61 0.83 0.03 0.65 3.38 -0.57 -1.01 115.31 119.24 1xmf h LEU 458 Ca 0.13 -0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.81 1xmf h LEU 458 Cb 0.44 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1xmf h LEU 458 CO 0.02 0.58 -1.50 0.00 0.09 0.00 0.00 178.44 177.62 1xmf h ALA 459 N 1.54 0.56 -2.14 1.53 0.00 -0.83 -3.40 119.26 116.52 1xmf h ALA 459 Ca 0.30 -1.26 -0.54 0.00 0.00 0.00 0.00 54.91 53.41 1xmf h ALA 459 Cb 0.00 0.29 -0.41 0.00 0.00 0.00 0.00 17.79 17.68 1xmf h ALA 459 CO -0.08 1.41 -0.90 0.39 0.00 0.00 0.00 179.25 180.07 1xmf n GLU 460 N -3.22 2.07 -0.21 0.00 1.02 0.48 -4.94 120.64 115.84 1xmf n GLU 460 Ca -0.13 -4.12 0.01 0.00 -0.02 0.00 0.00 57.16 52.90 1xmf n GLU 460 Cb 1.02 -1.95 0.09 0.00 -0.02 0.00 0.00 31.44 30.58 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 3.14 0.06 0.00 3.49 0.11 -1.38 -1.60 132.00 135.82 1xmf h PRO 461 Ca 0.12 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1xmf h PRO 461 Cb 0.73 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1xmf h PRO 461 CO 0.66 0.04 0.00 -0.85 -0.21 0.00 0.00 178.00 177.65 1xmf n GLU 462 N -5.35 0.05 0.06 1.05 0.00 -1.26 -2.19 120.64 112.99 1xmf n GLU 462 Ca 0.09 0.37 0.12 0.00 0.00 0.00 0.00 57.16 57.74 1xmf n GLU 462 Cb 0.36 -1.60 0.17 0.00 0.00 0.00 0.00 31.44 30.37 1xmf n GLU 462 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1xmf n ARG 463 N -1.69 0.29 -3.66 3.44 1.74 -0.60 -4.65 116.66 111.53 1xmf n ARG 463 Ca 0.02 0.08 -0.28 0.00 -0.77 0.00 0.00 57.85 56.90 1xmf n ARG 463 Cb 0.13 -1.68 -0.12 0.00 -1.02 0.00 0.00 32.46 29.77 1xmf n ARG 463 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1xmf s TYR 464 N -3.16 2.14 -0.11 -1.55 1.51 -0.93 -4.87 117.35 110.37 1xmf s TYR 464 Ca 0.06 -2.65 0.16 0.00 -1.01 0.00 0.00 57.07 53.63 1xmf s TYR 464 Cb 0.13 -1.80 0.24 0.00 -0.11 0.00 0.00 41.96 40.43 1xmf s TYR 464 CO 0.72 -0.73 1.12 0.39 -1.11 0.00 0.00 175.55 175.95 1xmf n GLU 465 N 2.86 1.49 -1.60 -0.62 1.02 -1.26 -4.94 120.64 117.60 1xmf n GLU 465 Ca 0.19 -2.40 -0.44 0.00 -0.02 0.00 0.00 57.16 54.49 1xmf n GLU 465 Cb 0.39 -1.41 -0.03 0.00 -0.02 0.00 0.00 31.44 30.36 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 6.00 4.49 0.63 0.00 0.00 -1.26 -4.96 119.66 124.56 1xmf s GLN 467 Ca 1.00 1.89 -0.07 0.00 -0.00 0.00 0.00 55.36 58.19 1xmf s GLN 467 Cb -0.41 -3.23 0.02 0.00 0.00 0.00 0.00 33.01 29.39 1xmf s GLN 467 CO 0.38 -0.09 0.95 0.54 0.00 0.00 0.00 175.29 177.07 1xmf s ASN 468 N 0.10 5.37 0.38 12.60 2.20 -1.26 -4.87 114.94 129.46 1xmf s ASN 468 Ca 0.53 0.69 0.12 0.00 -0.94 0.00 0.00 52.86 53.25 1xmf s ASN 468 Cb -0.33 -1.57 0.91 0.00 -2.00 0.00 0.00 41.25 38.26 1xmf s ASN 468 CO 0.37 -1.23 1.87 0.16 -2.94 0.00 0.00 177.10 175.33 1xmf h ILE 469 N -0.34 0.79 -0.18 0.54 3.07 -1.97 -0.48 117.51 118.94 1xmf h ILE 469 Ca -0.45 -0.20 -0.14 0.00 1.55 0.00 0.00 64.86 65.62 1xmf h ILE 469 Cb 1.27 0.16 -0.01 0.00 -0.27 0.00 0.00 36.82 37.97 1xmf h ILE 469 CO 0.61 0.11 -0.46 -0.26 -1.05 0.00 0.00 178.15 177.09 1xmf h PHE 470 N 0.59 0.56 -0.19 0.16 0.05 -1.93 0.54 116.94 116.72 1xmf h PHE 470 Ca 0.44 -0.17 -0.18 0.00 3.82 0.00 0.00 57.97 61.87 1xmf h PHE 470 Cb 0.83 -0.11 0.01 0.00 2.00 0.00 0.00 35.95 38.67 1xmf h PHE 470 CO -0.00 0.84 -0.60 0.93 -0.18 0.00 0.00 178.31 179.30 1xmf h GLU 471 N 0.37 0.73 -0.02 1.51 5.08 -1.54 -0.75 114.58 119.96 1xmf h GLU 471 Ca 0.02 -0.54 -0.26 0.00 -1.00 0.00 0.00 59.36 57.59 1xmf h GLU 471 Cb 0.96 0.09 0.02 0.00 0.50 0.00 0.00 28.75 30.32 1xmf h GLU 471 CO 0.08 1.16 -0.99 0.37 -1.00 0.00 0.00 179.01 178.64 1xmf h GLN 472 N 0.45 0.71 -0.00 2.33 5.75 -1.06 -3.30 115.11 119.99 1xmf h GLN 472 Ca -0.02 -0.73 0.00 0.00 -0.15 0.00 0.00 58.65 57.75 1xmf h GLN 472 Cb 1.22 0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.97 1xmf h GLN 472 CO 0.13 1.31 -0.30 0.66 -2.65 0.00 0.00 178.83 177.98 1xmf n TYR 473 N -3.89 0.00 -1.61 3.99 0.53 0.19 -4.96 117.16 111.41 1xmf n TYR 473 Ca -0.10 0.00 -0.62 0.00 -1.02 0.00 0.00 57.90 56.15 1xmf n TYR 473 Cb 0.85 -0.25 -0.09 0.00 -1.03 0.00 0.00 39.34 38.83 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 -1.23 0.11 -0.94 -0.72 2.13 -0.29 -0.52 120.64 119.18 1xmf n GLU 474 Ca 0.09 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1xmf n GLU 474 Cb 0.33 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.48 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 2.64 0.81 3.87 8.31 0.00 -0.73 -4.99 105.19 115.09 1xmf n GLY 475 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.15 3.71 -0.03 1.61 1.81 0.32 -4.88 118.95 121.33 1xmf s ARG 476 Ca 0.00 0.12 -0.28 0.00 -1.72 0.00 0.00 55.73 53.85 1xmf s ARG 476 Cb 0.00 -3.07 -0.03 0.00 -0.45 0.00 0.00 34.95 31.40 1xmf s ARG 476 CO 0.00 0.62 0.88 -2.00 -0.68 0.00 0.00 175.30 174.12 1xmf s GLU 477 N -1.69 4.51 0.14 3.54 -6.30 -1.26 -2.02 118.70 115.61 1xmf s GLU 477 Ca 0.29 1.22 -0.27 0.00 -2.50 0.00 0.00 54.97 53.72 1xmf s GLU 477 Cb -0.14 -3.46 -0.05 0.00 0.00 0.00 0.00 34.13 30.48 1xmf s GLU 477 CO 0.16 -0.03 1.34 -0.11 0.02 0.00 0.00 175.26 176.64 1xmf n LEU 478 N 3.93 -0.91 -0.34 2.70 7.94 0.13 -0.78 117.00 129.67 1xmf n LEU 478 Ca 0.04 1.54 0.19 0.00 -1.11 0.00 0.00 56.01 56.67 1xmf n LEU 478 Cb 0.51 -0.20 0.43 0.00 0.53 0.00 0.00 43.42 44.69 1xmf n LEU 478 CO 0.50 -1.26 1.18 -1.28 -1.11 0.00 0.00 177.39 175.43 1xmf h SER 479 N 0.00 0.59 0.20 1.96 0.87 -1.84 -0.60 113.55 114.73 1xmf h SER 479 Ca 0.14 0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.72 1xmf h SER 479 Cb 0.36 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1xmf h SER 479 CO -0.82 0.10 -0.37 -0.33 -0.53 0.00 0.00 176.83 174.88 1xmf h GLU 480 N 0.52 0.25 -0.08 2.24 5.08 -1.36 -1.45 114.58 119.78 1xmf h GLU 480 Ca 0.63 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.84 1xmf h GLU 480 Cb 1.33 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 1xmf h GLU 480 CO -0.41 0.59 -0.09 0.28 -1.00 0.00 0.00 179.01 178.39 1xmf h VAL 481 N 0.21 1.37 -0.10 3.13 2.07 -1.01 -1.09 116.25 120.83 1xmf h VAL 481 Ca 0.02 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.29 1xmf h VAL 481 Cb 0.76 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1xmf h VAL 481 CO 0.06 0.35 0.00 0.40 0.02 0.00 0.00 177.57 178.41 1xmf h ILE 482 N -0.23 0.94 -0.48 4.57 2.04 -1.40 0.25 117.51 123.20 1xmf h ILE 482 Ca 0.01 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1xmf h ILE 482 Cb 0.61 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1xmf h ILE 482 CO 0.02 0.01 0.29 0.00 0.00 0.00 0.00 178.15 178.47 1xmf h ALA 483 N 1.08 0.61 -0.52 1.87 0.00 -1.29 0.14 119.26 121.15 1xmf h ALA 483 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xmf h ALA 483 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1xmf h ALA 483 CO -0.07 0.10 0.30 1.49 0.00 0.00 0.00 179.25 181.07 1xmf h GLU 484 N 0.64 0.71 -0.89 0.00 4.81 -0.87 -2.66 114.58 116.33 1xmf h GLU 484 Ca 0.17 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 1xmf h GLU 484 Cb -0.00 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 1xmf h GLU 484 CO -0.03 0.54 0.09 1.28 -0.73 0.00 0.00 179.01 180.15 1xmf n LEU 485 N -4.66 3.47 -3.86 1.64 4.77 0.05 -4.91 117.00 113.50 1xmf n LEU 485 Ca 0.02 -1.78 -0.29 0.00 -0.03 0.00 0.00 56.01 53.94 1xmf n LEU 485 Cb 0.07 -0.60 0.03 0.00 -2.33 0.00 0.00 43.42 40.59 1xmf n LEU 485 CO 0.36 0.51 0.10 1.41 -1.33 0.00 0.00 177.39 178.44 1xmf n HIS 486 N 0.12 -2.31 -0.07 -1.77 8.25 -0.95 -4.64 115.22 113.84 1xmf n HIS 486 Ca 0.16 0.91 -0.04 0.00 -0.26 0.00 0.00 57.72 58.49 1xmf n HIS 486 Cb 0.75 -4.13 0.02 0.00 1.12 0.00 0.00 29.99 27.75 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 -1.71 2.70 3.49 -1.41 0.00 0.44 -4.89 105.19 103.81 1xmf n GLY 487 Ca -0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.49 2.64 0.83 0.99 1.43 -1.26 -1.99 118.68 120.83 1xmf s LEU 488 Ca 0.08 -0.97 -0.12 0.00 -1.03 0.00 0.00 54.13 52.09 1xmf s LEU 488 Cb 0.07 -1.17 0.10 0.00 0.03 0.00 0.00 46.19 45.21 1xmf s LEU 488 CO 0.01 0.04 1.20 -0.13 0.23 0.00 0.00 176.35 177.69 1xmf s ARG 489 N -3.46 1.79 0.64 1.70 0.52 0.33 -4.72 118.95 115.76 1xmf s ARG 489 Ca 0.29 0.03 0.38 0.00 -0.52 0.00 0.00 55.73 55.91 1xmf s ARG 489 Cb -0.05 -1.94 2.12 0.00 0.52 0.00 0.00 34.95 35.60 1xmf s ARG 489 CO 0.15 -1.70 2.28 0.66 0.02 0.00 0.00 175.30 176.72 1xmf h SER 490 N -1.13 0.00 0.00 0.23 4.64 -2.00 0.10 113.55 115.39 1xmf h SER 490 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1xmf h SER 490 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1xmf h SER 490 CO 0.62 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.68 1xmf n ASP 491 N -3.38 0.00 0.00 4.97 3.85 -1.26 -4.80 116.55 115.93 1xmf n ASP 491 Ca -0.03 -0.85 0.00 0.00 -0.71 0.00 0.00 54.79 53.21 1xmf n ASP 491 Cb 0.12 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.89 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 0.18 0.00 0.00 6.12 0.00 0.35 -4.61 105.19 107.23 1xmf n GLY 492 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.82 0.58 -2.90 1.61 2.85 -1.26 -4.93 118.16 113.28 1xmf n LYS 493 Ca 0.00 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.89 1xmf n LYS 493 Cb 0.16 -0.98 -0.06 0.00 -0.65 0.00 0.00 35.03 33.50 1xmf n LYS 493 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1xmf s THR 494 N -1.96 4.35 0.32 0.58 2.01 -1.26 -1.47 115.64 118.21 1xmf s THR 494 Ca 0.00 1.63 -0.27 0.00 0.31 0.00 0.00 61.69 63.35 1xmf s THR 494 Cb 0.00 -3.96 -0.09 0.00 0.01 0.00 0.00 72.50 68.46 1xmf s THR 494 CO 0.00 0.18 1.08 -0.76 -0.69 0.00 0.00 174.62 174.43 1xmf s LEU 495 N -1.99 4.40 0.01 4.42 1.43 -0.75 -0.51 118.68 125.69 1xmf s LEU 495 Ca 0.47 2.18 -0.25 0.00 -1.03 0.00 0.00 54.13 55.50 1xmf s LEU 495 Cb -0.18 -3.83 -0.17 0.00 0.03 0.00 0.00 46.19 42.04 1xmf s LEU 495 CO 0.23 -0.27 1.25 0.40 0.23 0.00 0.00 176.35 178.20 1xmf h ILE 496 N 2.76 0.82 -4.22 -0.59 2.04 -1.68 -3.43 117.51 113.21 1xmf h ILE 496 Ca -0.47 -0.67 -0.52 0.00 1.00 0.00 0.00 64.86 64.20 1xmf h ILE 496 Cb 1.21 1.19 0.13 0.00 -0.74 0.00 0.00 36.82 38.62 1xmf h ILE 496 CO 0.65 0.14 0.35 0.00 0.00 0.00 0.00 178.15 179.29 1xmf s ALA 497 N -4.77 2.21 0.01 1.87 0.00 -1.26 -4.50 121.76 115.33 1xmf s ALA 497 Ca -0.14 0.60 -0.22 0.00 0.00 0.00 0.00 51.96 52.20 1xmf s ALA 497 Cb 0.02 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 19.82 1xmf s ALA 497 CO 0.57 -1.72 0.49 -0.65 0.00 0.00 0.00 175.76 174.45 1xmf s GLN 498 N -4.26 0.94 0.00 0.00 -1.52 -1.21 -4.83 119.66 108.77 1xmf s GLN 498 Ca 0.68 -0.15 0.18 0.00 -1.95 0.00 0.00 55.36 54.12 1xmf s GLN 498 Cb -0.23 0.43 0.59 0.00 -0.22 0.00 0.00 33.01 33.58 1xmf s GLN 498 CO 0.47 -0.31 1.45 -0.35 -0.25 0.00 0.00 175.29 176.30 1xmf n PRO 499 N 0.71 1.88 -3.61 2.91 -0.04 -1.26 -0.61 135.00 134.99 1xmf n PRO 499 Ca -0.19 -1.34 -0.11 0.00 -0.04 0.00 0.00 63.50 61.82 1xmf n PRO 499 Cb 0.59 -1.38 -0.04 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.65 -0.24 -0.31 0.54 -3.43 0.24 -4.35 115.29 106.08 1xmf s HIS 500 Ca 0.31 -0.06 0.09 0.00 -0.80 0.00 0.00 55.06 54.61 1xmf s HIS 500 Cb 0.17 0.30 0.59 0.00 -1.43 0.00 0.00 32.58 32.21 1xmf s HIS 500 CO 0.24 -0.72 1.62 1.33 -2.00 0.00 0.00 174.74 175.21 1xmf n VAL 501 N -0.24 2.72 -2.35 -5.38 0.24 -1.25 -4.53 118.33 107.53 1xmf n VAL 501 Ca -0.16 -2.22 -0.25 0.00 -2.04 0.00 0.00 64.34 59.67 1xmf n VAL 501 Cb 0.64 -0.35 0.05 0.00 -1.47 0.00 0.00 33.84 32.71 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 -3.14 2.40 0.00 7.34 0.52 -1.26 -4.94 118.95 119.87 1xmf s ARG 502 Ca 0.49 -0.35 0.29 0.00 -0.52 0.00 0.00 55.73 55.64 1xmf s ARG 502 Cb 0.42 -2.27 1.24 0.00 0.52 0.00 0.00 34.95 34.86 1xmf s ARG 502 CO 0.06 -1.01 1.89 0.41 0.02 0.00 0.00 175.30 176.67 1xmf n GLY 503 N -2.72 -1.26 3.29 -3.53 0.00 -1.26 -4.91 105.19 94.81 1xmf n GLY 503 Ca 0.07 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.72 1.10 -1.03 1.61 3.84 -1.26 -4.87 116.67 113.34 1xmf s ASP 504 Ca 0.22 -1.48 -0.03 0.00 -0.00 0.00 0.00 52.55 51.27 1xmf s ASP 504 Cb 0.20 0.33 0.00 0.00 -1.38 0.00 0.00 42.92 42.07 1xmf s ASP 504 CO 0.51 -0.84 0.88 0.29 -0.00 0.00 0.00 175.17 176.01 1xmf n LYS 505 N -0.47 -5.84 -3.11 2.11 5.02 -1.26 -4.98 118.16 109.62 1xmf n LYS 505 Ca 0.01 0.69 -0.39 0.00 -2.02 0.00 0.00 58.31 56.60 1xmf n LYS 505 Cb 0.65 -5.28 -0.05 0.00 -0.02 0.00 0.00 35.03 30.33 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 -5.79 4.42 0.46 -0.35 1.43 -1.26 -4.63 118.68 112.96 1xmf s LEU 506 Ca 0.16 1.26 -0.23 0.00 -1.03 0.00 0.00 54.13 54.29 1xmf s LEU 506 Cb -0.07 -3.04 -0.07 0.00 0.03 0.00 0.00 46.19 43.03 1xmf s LEU 506 CO 0.60 0.05 1.22 0.26 0.23 0.00 0.00 176.35 178.72 1xmf s TRP 507 N -0.05 2.77 0.47 0.29 0.52 -1.26 -4.92 118.94 116.76 1xmf s TRP 507 Ca 0.34 1.49 0.06 0.00 0.02 0.00 0.00 56.10 58.01 1xmf s TRP 507 Cb -0.19 -3.51 -0.00 0.00 -1.15 0.00 0.00 33.47 28.62 1xmf s TRP 507 CO 0.19 -1.84 0.32 0.95 0.02 0.00 0.00 176.95 176.59 1xmf s THR 508 N -1.44 2.09 0.23 2.01 -4.23 -1.26 -1.81 115.64 111.22 1xmf s THR 508 Ca 0.64 -1.52 -0.08 0.00 -1.18 0.00 0.00 61.69 59.54 1xmf s THR 508 Cb -0.32 -2.61 0.20 0.00 1.34 0.00 0.00 72.50 71.10 1xmf s THR 508 CO 0.40 0.00 1.89 0.25 -0.54 0.00 0.00 174.62 176.61 1xmf h LEU 509 N 1.03 1.02 -1.27 4.79 5.85 -1.58 -1.91 115.31 123.24 1xmf h LEU 509 Ca -0.40 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.22 1xmf h LEU 509 Cb 1.28 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1xmf h LEU 509 CO 0.61 0.77 -0.09 -0.78 -0.34 0.00 0.00 178.44 178.60 1xmf h ASP 510 N 1.18 0.36 -0.48 1.25 1.82 -1.96 0.70 116.42 119.30 1xmf h ASP 510 Ca 0.31 -0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.84 1xmf h ASP 510 Cb -0.09 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 39.80 1xmf h ASP 510 CO -0.06 0.50 0.18 0.44 -1.61 0.00 0.00 179.24 178.69 1xmf h ASP 511 N 0.36 0.71 -0.00 2.28 3.32 -1.73 -0.36 116.42 121.01 1xmf h ASP 511 Ca 0.07 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1xmf h ASP 511 Cb 0.40 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.77 1xmf h ASP 511 CO 0.02 0.66 -0.29 0.40 -1.72 0.00 0.00 179.24 178.32 1xmf h ILE 512 N 0.76 1.53 -0.50 0.35 1.08 -1.06 -3.27 117.51 116.40 1xmf h ILE 512 Ca 0.18 -1.96 0.07 0.00 -0.39 0.00 0.00 64.86 62.77 1xmf h ILE 512 Cb 0.20 2.74 -0.06 0.00 -3.07 0.00 0.00 36.82 36.63 1xmf h ILE 512 CO -0.01 0.54 0.15 0.50 -0.69 0.00 0.00 178.15 178.64 1xmf h LYS 513 N -0.45 0.31 -0.92 2.37 3.64 -0.66 -0.43 116.57 120.42 1xmf h LYS 513 Ca -0.04 -0.02 0.25 0.00 -1.27 0.00 0.00 60.65 59.57 1xmf h LYS 513 Cb 1.04 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.74 1xmf h LYS 513 CO 0.06 0.20 0.64 0.00 -2.27 0.00 0.00 179.45 178.08 1xmf h ARG 514 N 0.32 0.14 0.00 1.90 3.08 -1.15 1.02 114.38 119.69 1xmf h ARG 514 Ca 0.24 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 1xmf h ARG 514 Cb 0.28 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1xmf h ARG 514 CO -0.27 0.09 -0.17 -0.07 -1.07 0.00 0.00 179.97 178.49 1xmf h LEU 515 N 0.15 0.00 -2.02 3.04 3.38 -1.12 -3.46 115.31 115.27 1xmf h LEU 515 Ca 0.46 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.97 1xmf h LEU 515 Cb 1.55 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.31 1xmf h LEU 515 CO -0.08 0.17 -0.87 -3.20 0.09 0.00 0.00 178.44 174.55 1xmf n ASN 516 N -3.93 -1.28 -4.73 -0.43 2.85 0.35 -4.93 115.26 103.16 1xmf n ASN 516 Ca -0.02 -0.93 -0.41 0.00 -0.11 0.00 0.00 54.58 53.11 1xmf n ASN 516 Cb 0.26 -3.52 -0.05 0.00 1.24 0.00 0.00 39.78 37.71 1xmf n ASN 516 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xmf s VAL 518 N 0.08 1.17 0.75 0.00 1.01 -1.26 -0.69 120.40 121.47 1xmf s VAL 518 Ca 0.43 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 1xmf s VAL 518 Cb -0.22 -1.38 0.05 0.00 0.00 0.00 0.00 36.38 34.83 1xmf s VAL 518 CO 0.26 0.07 1.19 0.49 0.00 0.00 0.00 175.10 177.11 1xmf n PHE 519 N 4.84 1.34 -3.78 5.22 3.01 -0.85 -4.86 117.46 122.37 1xmf n PHE 519 Ca -0.12 0.41 -0.13 0.00 1.01 0.00 0.00 57.45 58.62 1xmf n PHE 519 Cb 0.47 -2.14 -0.10 0.00 -0.01 0.00 0.00 39.48 37.70 1xmf n PHE 519 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 1xmf s LYS 520 N -3.80 0.52 -0.69 -1.08 -2.85 -1.26 -1.77 119.74 108.81 1xmf s LYS 520 Ca 0.76 0.03 -0.27 0.00 -1.00 0.00 0.00 55.97 55.48 1xmf s LYS 520 Cb -0.32 0.23 0.03 0.00 -2.06 0.00 0.00 37.83 35.71 1xmf s LYS 520 CO 0.48 -0.12 1.25 1.21 0.10 0.00 0.00 175.35 178.27 1xmf s ASN 521 N -0.74 6.25 0.49 0.03 3.84 -1.26 -4.90 114.94 118.65 1xmf s ASN 521 Ca -0.08 -0.28 0.33 0.00 0.21 0.00 0.00 52.86 53.04 1xmf s ASN 521 Cb -0.04 -2.56 1.44 0.00 -0.55 0.00 0.00 41.25 39.54 1xmf s ASN 521 CO 0.02 -1.73 1.74 1.55 -2.79 0.00 0.00 177.10 175.90 1xmf h PRO 522 N 9.88 0.11 0.00 0.43 0.13 -1.92 -0.10 132.00 140.53 1xmf h PRO 522 Ca -0.27 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1xmf h PRO 522 Cb 1.05 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1xmf h PRO 522 CO 1.25 0.07 0.00 -0.24 -0.23 0.00 0.00 178.00 178.85 1xmf h VAL 523 N 0.12 0.00 0.00 1.56 3.04 -1.92 -3.16 116.25 115.88 1xmf h VAL 523 Ca 0.66 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 65.91 1xmf h VAL 523 Cb 2.31 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 32.96 1xmf h VAL 523 CO -0.15 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 176.70 1xmf n LYS 524 N -2.83 0.12 0.18 4.17 4.76 -0.05 -2.23 118.16 122.28 1xmf n LYS 524 Ca 0.01 0.21 0.07 0.00 -2.87 0.00 0.00 58.31 55.73 1xmf n LYS 524 Cb 0.29 -1.50 0.16 0.00 -1.84 0.00 0.00 35.03 32.14 1xmf n LYS 524 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xmf h ALA 525 N 2.55 0.83 -2.74 7.82 0.00 -1.76 -3.44 119.26 122.52 1xmf h ALA 525 Ca 0.00 -0.28 -0.51 0.00 0.00 0.00 0.00 54.91 54.12 1xmf h ALA 525 Cb 0.16 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.92 1xmf h ALA 525 CO 0.00 0.38 0.53 -0.06 0.00 0.00 0.00 179.25 180.10 1xmf s PHE 526 N -3.17 3.46 -2.95 0.00 0.40 -0.95 -5.23 117.98 109.53 1xmf s PHE 526 Ca 0.04 1.54 0.24 0.00 -0.60 0.00 0.00 56.93 58.15 1xmf s PHE 526 Cb 0.07 -3.39 0.27 0.00 0.51 0.00 0.00 43.02 40.48 1xmf s PHE 526 CO 0.70 -0.98 1.30 0.09 0.70 0.00 0.00 175.22 177.03