#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qrm s ILE 13 N 0.00 4.32 0.11 1.69 -4.36 -1.26 -5.06 121.20 116.65 2qrm s ILE 13 Ca 0.00 -0.75 -0.21 0.00 -0.26 0.00 0.00 60.65 59.43 2qrm s ILE 13 Cb 0.00 -3.03 -0.09 0.00 1.25 0.00 0.00 42.46 40.59 2qrm s ILE 13 CO 0.00 0.21 1.73 -1.28 0.24 0.00 0.00 174.94 175.84 2qrm h SER 14 N 3.67 -0.05 0.18 4.36 0.87 -1.96 -2.89 113.55 117.74 2qrm h SER 14 Ca -0.48 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2qrm h SER 14 Cb 1.17 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2qrm h SER 14 CO 0.62 -0.01 0.00 1.33 -0.53 0.00 0.00 176.83 178.24 2qrm n VAL 15 N -5.12 1.38 1.31 2.23 0.24 -1.26 -1.73 118.33 115.39 2qrm n VAL 15 Ca -0.04 0.50 0.10 0.00 -2.04 0.00 0.00 64.34 62.85 2qrm n VAL 15 Cb 0.07 -1.45 0.39 0.00 -1.47 0.00 0.00 33.84 31.39 2qrm n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2qrm n ARG 16 N -1.83 1.65 0.00 7.34 1.74 -1.09 -5.05 116.66 119.42 2qrm n ARG 16 Ca 0.00 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.10 2qrm n ARG 16 Cb 0.07 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 2qrm n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qrm n GLY 17 N 1.09 -2.33 3.84 -0.13 0.00 -0.70 -1.64 105.19 105.32 2qrm n GLY 17 Ca 0.16 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 2qrm n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qrm s LEU 18 N 0.00 4.35 -0.84 0.99 2.01 -1.26 -4.66 118.68 119.27 2qrm s LEU 18 Ca 0.00 1.08 0.01 0.00 0.01 0.00 0.00 54.13 55.23 2qrm s LEU 18 Cb 0.00 -3.23 0.24 0.00 0.01 0.00 0.00 46.19 43.21 2qrm s LEU 18 CO 0.00 0.12 0.88 0.00 1.01 0.00 0.00 176.35 178.35 2qrm n ALA 19 N 0.87 4.10 -1.78 4.21 0.00 -1.26 -3.81 120.51 122.84 2qrm n ALA 19 Ca -0.06 -4.68 -0.36 0.00 0.00 0.00 0.00 53.44 48.34 2qrm n ALA 19 Cb 0.52 -1.53 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 2qrm n ALA 19 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qrm s GLY 20 N -1.25 2.73 0.18 0.00 0.00 -1.26 -4.89 107.32 102.83 2qrm s GLY 20 Ca 0.32 0.76 -0.13 0.00 0.00 0.00 0.00 44.72 45.66 2qrm s GLY 20 CO -0.06 1.18 1.71 -2.08 0.00 0.00 0.00 173.10 173.86 2qrm h VAL 21 N 2.05 0.71 -0.20 1.40 2.07 -1.99 -0.38 116.25 119.90 2qrm h VAL 21 Ca -0.49 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2qrm h VAL 21 Cb 1.22 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2qrm h VAL 21 CO 0.61 0.04 0.12 -0.33 0.02 0.00 0.00 177.57 178.03 2qrm h GLU 22 N 0.20 0.28 -0.13 1.57 3.07 -1.99 -2.17 114.58 115.42 2qrm h GLU 22 Ca 0.24 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 2qrm h GLU 22 Cb 0.33 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 2qrm h GLU 22 CO -0.33 0.26 0.08 -0.91 -1.40 0.00 0.00 179.01 176.71 2qrm h ASN 23 N 0.23 0.15 -0.55 1.42 4.21 -1.84 -1.50 115.58 117.70 2qrm h ASN 23 Ca 0.07 -0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.57 2qrm h ASN 23 Cb 0.05 -0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 37.19 2qrm h ASN 23 CO -0.01 0.11 0.33 0.58 -1.29 0.00 0.00 177.43 177.15 2qrm h VAL 24 N 0.17 1.17 -0.44 2.81 2.07 -1.09 0.06 116.25 121.00 2qrm h VAL 24 Ca 0.05 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2qrm h VAL 24 Cb -0.01 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2qrm h VAL 24 CO -0.01 0.17 0.27 0.74 0.02 0.00 0.00 177.57 178.76 2qrm h THR 25 N 0.74 1.13 -0.32 2.57 2.02 -1.29 -1.48 112.91 116.28 2qrm h THR 25 Ca 0.20 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 2qrm h THR 25 Cb -0.01 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2qrm h THR 25 CO -0.04 0.13 0.05 -0.08 0.37 0.00 0.00 175.52 175.96 2qrm h GLU 26 N 0.59 0.52 -0.93 6.66 4.57 -0.98 -2.55 114.58 122.45 2qrm h GLU 26 Ca 0.16 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 2qrm h GLU 26 Cb -0.02 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.46 2qrm h GLU 26 CO -0.03 0.61 0.61 -0.07 -1.18 0.00 0.00 179.01 178.96 2qrm h LEU 27 N 0.35 1.04 -0.64 1.64 3.38 -0.88 -1.76 115.31 118.45 2qrm h LEU 27 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2qrm h LEU 27 Cb 0.34 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2qrm h LEU 27 CO 0.01 0.73 0.33 0.11 0.09 0.00 0.00 178.44 179.71 2qrm h LYS 28 N 1.22 0.92 -0.02 1.13 1.57 -1.13 -1.00 116.57 119.25 2qrm h LYS 28 Ca 0.36 -0.12 -0.19 0.00 -1.87 0.00 0.00 60.65 58.83 2qrm h LYS 28 Cb -0.07 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 2qrm h LYS 28 CO -0.10 0.71 -0.82 1.57 -0.57 0.00 0.00 179.45 180.25 2qrm h LYS 29 N 0.88 0.25 -0.04 3.15 2.10 -1.18 -2.37 116.57 119.38 2qrm h LYS 29 Ca 0.22 -0.25 -0.14 0.00 -2.00 0.00 0.00 60.65 58.49 2qrm h LYS 29 Cb 0.09 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.47 2qrm h LYS 29 CO -0.03 0.94 -0.61 -0.91 -2.00 0.00 0.00 179.45 176.84 2qrm h ASN 30 N 0.16 0.15 -0.36 7.07 2.35 -1.26 -0.60 115.58 123.09 2qrm h ASN 30 Ca -0.04 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 2qrm h ASN 30 Cb 1.42 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.73 2qrm h ASN 30 CO 0.13 0.72 0.16 0.15 -1.65 0.00 0.00 177.43 176.94 2qrm h PHE 31 N 0.10 0.53 -0.25 1.19 3.57 -1.10 -1.66 116.94 119.32 2qrm h PHE 31 Ca -0.01 -0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.35 2qrm h PHE 31 Cb 1.09 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 2qrm h PHE 31 CO 0.01 0.46 -0.32 -0.91 -2.23 0.00 0.00 178.31 175.32 2qrm h ASN 32 N 0.44 0.54 -0.02 0.41 2.35 -1.29 -2.09 115.58 115.92 2qrm h ASN 32 Ca 0.12 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2qrm h ASN 32 Cb 0.14 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 2qrm h ASN 32 CO -0.01 0.83 0.01 -0.09 -1.65 0.00 0.00 177.43 176.52 2qrm h ARG 33 N 0.45 0.03 -0.62 0.81 2.43 -0.99 -2.64 114.38 113.84 2qrm h ARG 33 Ca 0.05 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 2qrm h ARG 33 Cb 0.78 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 2qrm h ARG 33 CO 0.06 0.11 0.15 0.45 -1.51 0.00 0.00 179.97 179.23 2qrm h HIS 34 N -0.06 1.01 -0.67 2.20 3.86 -1.23 0.15 115.15 120.42 2qrm h HIS 34 Ca 0.01 -0.11 0.01 0.00 -1.16 0.00 0.00 60.37 59.12 2qrm h HIS 34 Cb 0.09 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 2qrm h HIS 34 CO -0.05 0.84 0.44 1.25 0.86 0.00 0.00 177.93 181.28 2qrm h LEU 35 N 0.93 0.75 0.00 2.43 5.85 -1.32 0.59 115.31 124.54 2qrm h LEU 35 Ca 0.20 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2qrm h LEU 35 Cb 0.34 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2qrm h LEU 35 CO 0.00 0.53 -0.07 -0.74 -0.34 0.00 0.00 178.44 177.82 2qrm h HIS 36 N 0.88 0.00 0.05 1.25 2.76 -1.07 -1.93 115.15 117.08 2qrm h HIS 36 Ca 0.25 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 58.19 2qrm h HIS 36 Cb -0.05 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.90 2qrm h HIS 36 CO -0.00 0.00 -1.03 0.74 -1.30 0.00 0.00 177.93 176.34 2qrm h PHE 37 N -0.66 0.40 0.01 5.26 0.04 -0.78 -2.17 116.94 119.04 2qrm h PHE 37 Ca 0.00 -0.25 -0.28 0.00 2.80 0.00 0.00 57.97 60.24 2qrm h PHE 37 Cb 0.07 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.15 2qrm h PHE 37 CO -0.03 1.12 -1.52 2.41 -0.60 0.00 0.00 178.31 179.69 2qrm n THR 38 N -3.61 1.55 0.22 -1.55 -1.04 -0.10 -4.43 114.28 105.33 2qrm n THR 38 Ca -0.06 -0.13 0.12 0.00 -2.04 0.00 0.00 64.05 61.94 2qrm n THR 38 Cb 0.90 -1.99 0.08 0.00 -1.82 0.00 0.00 70.33 67.50 2qrm n THR 38 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qrm h LEU 39 N -0.90 0.00 -2.43 -4.42 3.38 -1.05 -3.49 115.31 106.40 2qrm h LEU 39 Ca -0.41 -0.03 -0.36 0.00 0.09 0.00 0.00 57.88 57.16 2qrm h LEU 39 Cb 1.42 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.29 2qrm h LEU 39 CO -0.22 0.02 -0.87 0.52 0.09 0.00 0.00 178.44 177.98 2qrm n VAL 40 N -2.68 -6.55 -4.13 1.22 0.31 -0.81 -5.00 118.33 100.68 2qrm n VAL 40 Ca 0.02 -0.92 -0.09 0.00 -0.01 0.00 0.00 64.34 63.34 2qrm n VAL 40 Cb 0.52 -4.94 -0.10 0.00 -0.91 0.00 0.00 33.84 28.41 2qrm n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2qrm s LYS 41 N -5.42 0.79 0.36 5.55 -0.14 -0.74 -5.03 119.74 115.10 2qrm s LYS 41 Ca 0.30 -1.34 0.07 0.00 -1.36 0.00 0.00 55.97 53.64 2qrm s LYS 41 Cb -0.07 0.20 -0.07 0.00 -1.68 0.00 0.00 37.83 36.20 2qrm s LYS 41 CO 0.80 -0.18 -0.03 0.16 -0.76 0.00 0.00 175.35 175.34 2qrm s ASP 42 N -2.99 3.51 0.55 2.83 -4.77 -1.26 -4.00 116.67 110.53 2qrm s ASP 42 Ca 0.16 -1.29 0.29 0.00 -3.30 0.00 0.00 52.55 48.41 2qrm s ASP 42 Cb 0.08 -0.32 1.60 0.00 -1.09 0.00 0.00 42.92 43.19 2qrm s ASP 42 CO -0.04 -0.38 1.88 0.03 0.70 0.00 0.00 175.17 177.37 2qrm h ARG 43 N 1.95 0.00 0.00 2.11 2.47 -1.96 -2.04 114.38 116.91 2qrm h ARG 43 Ca -0.42 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.16 2qrm h ARG 43 Cb 1.24 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.54 2qrm h ARG 43 CO 0.75 0.00 -0.63 -0.91 0.56 0.00 0.00 179.97 179.74 2qrm h ASN 44 N 0.00 0.00 -0.00 7.04 2.35 -2.05 -3.34 115.58 119.58 2qrm h ASN 44 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2qrm h ASN 44 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2qrm h ASN 44 CO 0.00 0.63 -0.00 1.33 -1.65 0.00 0.00 177.43 177.74 2qrm n VAL 45 N -3.28 0.00 -2.27 2.81 0.24 -0.83 -5.05 118.33 109.95 2qrm n VAL 45 Ca 0.01 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.41 2qrm n VAL 45 Cb 0.78 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 34.12 2qrm n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qrm s ALA 46 N -0.23 3.46 0.38 2.33 0.00 -0.86 -4.97 121.76 121.86 2qrm s ALA 46 Ca 0.00 1.10 0.08 0.00 0.00 0.00 0.00 51.96 53.14 2qrm s ALA 46 Cb 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 2qrm s ALA 46 CO 0.01 -0.43 0.36 0.95 0.00 0.00 0.00 175.76 176.64 2qrm s THR 47 N -1.14 3.13 0.36 0.00 -4.23 -1.26 -4.98 115.64 107.51 2qrm s THR 47 Ca 0.47 -1.32 0.14 0.00 -1.18 0.00 0.00 61.69 59.80 2qrm s THR 47 Cb -0.36 -3.10 0.35 0.00 1.34 0.00 0.00 72.50 70.73 2qrm s THR 47 CO 0.48 -0.08 1.78 -0.65 -0.54 0.00 0.00 174.62 175.60 2qrm h PRO 48 N 1.09 0.50 -0.65 3.99 0.11 -1.99 -0.67 132.00 134.39 2qrm h PRO 48 Ca -0.43 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 2qrm h PRO 48 Cb 1.26 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2qrm h PRO 48 CO 0.57 0.33 0.15 -0.09 -0.21 0.00 0.00 178.00 178.75 2qrm h ARG 49 N 0.52 1.02 -0.70 1.05 2.43 -1.96 0.11 114.38 116.84 2qrm h ARG 49 Ca 0.58 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 2qrm h ARG 49 Cb 1.27 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 2qrm h ARG 49 CO -0.33 0.91 0.41 -0.44 -1.51 0.00 0.00 179.97 179.00 2qrm h ASP 50 N 0.97 0.86 -0.60 -3.80 3.45 -1.54 -1.76 116.42 114.00 2qrm h ASP 50 Ca 0.20 -0.07 -0.05 0.00 0.43 0.00 0.00 57.03 57.54 2qrm h ASP 50 Cb 0.35 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.88 2qrm h ASP 50 CO 0.00 0.68 0.19 1.88 -1.57 0.00 0.00 179.24 180.43 2qrm h TYR 51 N 0.96 0.96 -0.19 4.55 0.05 -0.75 -1.03 116.97 121.52 2qrm h TYR 51 Ca 0.25 -0.09 0.05 0.00 0.05 0.00 0.00 58.73 58.99 2qrm h TYR 51 Cb -0.01 -0.28 -0.05 0.00 1.01 0.00 0.00 36.73 37.40 2qrm h TYR 51 CO -0.01 0.79 -0.15 -0.92 -1.05 0.00 0.00 178.16 176.82 2qrm h TYR 52 N 0.85 -0.37 -0.50 4.88 3.20 -0.72 -1.37 116.97 122.94 2qrm h TYR 52 Ca 0.19 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 2qrm h TYR 52 Cb 0.28 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 2qrm h TYR 52 CO 0.02 -0.22 0.12 0.74 -1.64 0.00 0.00 178.16 177.18 2qrm h PHE 53 N -0.15 0.77 -0.69 -3.82 -1.00 -0.98 0.66 116.94 111.73 2qrm h PHE 53 Ca 0.12 -0.06 -0.04 0.00 2.81 0.00 0.00 57.97 60.79 2qrm h PHE 53 Cb 0.33 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.63 2qrm h PHE 53 CO -0.30 0.65 0.27 0.00 -1.61 0.00 0.00 178.31 177.32 2qrm h ALA 54 N 1.41 0.90 -0.29 2.45 0.00 -0.93 -0.80 119.26 121.99 2qrm h ALA 54 Ca 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2qrm h ALA 54 Cb 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qrm h ALA 54 CO -0.00 0.52 0.02 1.25 0.00 0.00 0.00 179.25 181.04 2qrm h LEU 55 N 0.98 0.48 -0.48 0.00 5.85 -0.59 -2.16 115.31 119.40 2qrm h LEU 55 Ca 0.23 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2qrm h LEU 55 Cb 0.22 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2qrm h LEU 55 CO -0.02 0.65 0.29 0.00 -0.34 0.00 0.00 178.44 179.02 2qrm h ALA 56 N 0.85 0.61 -0.45 1.25 0.00 -0.69 -0.93 119.26 119.90 2qrm h ALA 56 Ca 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2qrm h ALA 56 Cb 0.39 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2qrm h ALA 56 CO 0.01 0.00 0.11 0.45 0.00 0.00 0.00 179.25 179.82 2qrm h HIS 57 N 0.59 0.68 -0.31 0.00 3.86 -1.14 0.44 115.15 119.28 2qrm h HIS 57 Ca 0.19 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 2qrm h HIS 57 Cb -0.01 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 2qrm h HIS 57 CO -0.06 0.59 0.02 1.15 0.86 0.00 0.00 177.93 180.49 2qrm h THR 58 N 0.65 1.25 -0.26 2.45 2.02 -0.74 -2.22 112.91 116.06 2qrm h THR 58 Ca 0.15 -0.90 -0.13 0.00 0.77 0.00 0.00 66.41 66.31 2qrm h THR 58 Cb 0.25 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2qrm h THR 58 CO -0.00 0.29 -0.33 0.58 0.37 0.00 0.00 175.52 176.43 2qrm h VAL 59 N 0.34 1.31 -1.00 3.16 2.07 -1.05 -3.09 116.25 117.99 2qrm h VAL 59 Ca 0.09 -1.52 0.15 0.00 0.82 0.00 0.00 66.70 66.24 2qrm h VAL 59 Cb 0.40 1.68 -0.09 0.00 -1.52 0.00 0.00 31.29 31.76 2qrm h VAL 59 CO 0.01 0.48 0.63 -0.09 0.02 0.00 0.00 177.57 178.62 2qrm h ARG 60 N 0.40 0.88 -0.85 1.57 2.43 -0.86 -1.28 114.38 116.66 2qrm h ARG 60 Ca 0.03 -0.05 0.17 0.00 -0.81 0.00 0.00 59.98 59.32 2qrm h ARG 60 Cb 0.91 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 30.20 2qrm h ARG 60 CO 0.08 0.58 0.56 -0.44 -1.51 0.00 0.00 179.97 179.24 2qrm h ASP 61 N 0.91 0.47 1.05 -3.80 3.45 -1.31 -0.54 116.42 116.66 2qrm h ASP 61 Ca 0.53 0.04 0.00 0.00 0.43 0.00 0.00 57.03 58.03 2qrm h ASP 61 Cb 0.65 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.37 2qrm h ASP 61 CO -0.31 0.22 0.00 0.45 -1.57 0.00 0.00 179.24 178.03 2qrm h HIS 62 N 0.49 0.00 0.02 4.55 3.86 -1.32 -3.06 115.15 119.67 2qrm h HIS 62 Ca 0.43 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.43 2qrm h HIS 62 Cb 0.95 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.40 2qrm h HIS 62 CO -0.00 0.00 -1.02 -0.07 0.86 0.00 0.00 177.93 177.70 2qrm h LEU 63 N 0.00 0.05 -0.27 2.43 3.38 -1.13 -3.41 115.31 116.36 2qrm h LEU 63 Ca 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2qrm h LEU 63 Cb 0.53 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2qrm h LEU 63 CO 0.00 1.03 0.08 -0.37 0.09 0.00 0.00 178.44 179.27 2qrm h VAL 64 N 0.01 1.20 -0.31 1.22 -1.51 -1.54 0.51 116.25 115.83 2qrm h VAL 64 Ca -0.03 -0.66 0.03 0.00 -1.23 0.00 0.00 66.70 64.81 2qrm h VAL 64 Cb 1.77 1.14 -0.03 0.00 -2.13 0.00 0.00 31.29 32.04 2qrm h VAL 64 CO 0.14 0.22 0.13 1.23 -1.23 0.00 0.00 177.57 178.05 2qrm h GLY 65 N 0.26 0.40 1.10 5.19 0.00 -1.79 -0.78 103.07 107.45 2qrm h GLY 65 Ca 0.08 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2qrm h GLY 65 CO -0.00 0.06 0.24 3.21 0.00 0.00 0.00 176.54 180.04 2qrm h ARG 66 N 0.28 1.13 -0.16 4.80 3.08 -1.73 -1.60 114.38 120.18 2qrm h ARG 66 Ca 0.14 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2qrm h ARG 66 Cb 0.08 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2qrm h ARG 66 CO -0.12 0.96 0.07 2.35 -1.07 0.00 0.00 179.97 182.16 2qrm h TRP 67 N 1.09 0.23 -0.56 3.04 7.01 -0.48 0.18 115.95 126.46 2qrm h TRP 67 Ca 0.24 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.19 2qrm h TRP 67 Cb 0.29 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 2qrm h TRP 67 CO 0.02 0.27 0.22 0.82 -2.79 0.00 0.00 178.44 176.99 2qrm h ILE 68 N 0.12 1.22 0.00 2.65 2.04 -1.07 -2.61 117.51 119.86 2qrm h ILE 68 Ca 0.05 -0.69 -0.17 0.00 1.00 0.00 0.00 64.86 65.05 2qrm h ILE 68 Cb 0.13 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2qrm h ILE 68 CO -0.01 0.27 -0.81 0.08 0.00 0.00 0.00 178.15 177.68 2qrm h ARG 69 N 0.76 0.02 -0.01 2.37 0.11 -1.21 -1.95 114.38 114.48 2qrm h ARG 69 Ca 0.19 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 60.24 2qrm h ARG 69 Cb 0.20 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.29 2qrm h ARG 69 CO -0.02 0.82 0.00 1.15 0.10 0.00 0.00 179.97 182.03 2qrm h THR 70 N 0.01 1.07 -0.27 0.08 2.02 -0.94 -1.34 112.91 113.55 2qrm h THR 70 Ca -0.01 -0.21 -0.09 0.00 0.77 0.00 0.00 66.41 66.87 2qrm h THR 70 Cb 1.43 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 2qrm h THR 70 CO 0.11 0.05 -0.23 1.56 0.37 0.00 0.00 175.52 177.38 2qrm h GLN 71 N -0.08 0.51 -0.01 6.66 1.08 -1.40 -2.12 115.11 119.75 2qrm h GLN 71 Ca 0.00 -0.19 -0.13 0.00 -1.45 0.00 0.00 58.65 56.88 2qrm h GLN 71 Cb 0.09 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 2qrm h GLN 71 CO -0.00 0.71 -0.61 -0.56 -0.95 0.00 0.00 178.83 177.42 2qrm h GLN 72 N 0.45 0.05 -0.57 1.46 3.07 -1.35 -2.66 115.11 115.56 2qrm h GLN 72 Ca 0.07 -0.04 -0.00 0.00 0.09 0.00 0.00 58.65 58.77 2qrm h GLN 72 Cb 0.65 0.01 -0.03 0.00 0.08 0.00 0.00 27.48 28.19 2qrm h GLN 72 CO 0.05 0.64 0.35 1.25 0.09 0.00 0.00 178.83 181.21 2qrm h HIS 73 N 0.04 0.73 -0.32 0.06 2.76 -0.73 -1.55 115.15 116.14 2qrm h HIS 73 Ca -0.01 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 2qrm h HIS 73 Cb 1.08 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.78 2qrm h HIS 73 CO 0.00 0.49 -0.09 1.88 -1.30 0.00 0.00 177.93 178.92 2qrm h TYR 74 N 0.76 0.57 -0.63 5.26 0.05 -1.30 -0.08 116.97 121.61 2qrm h TYR 74 Ca 0.20 -0.08 -0.08 0.00 0.05 0.00 0.00 58.73 58.82 2qrm h TYR 74 Cb -0.04 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.52 2qrm h TYR 74 CO -0.03 0.61 0.06 -0.92 -1.05 0.00 0.00 178.16 176.84 2qrm h TYR 75 N 0.50 1.12 0.02 4.88 3.20 -1.11 0.35 116.97 125.94 2qrm h TYR 75 Ca 0.10 -0.16 -0.09 0.00 3.14 0.00 0.00 58.73 61.71 2qrm h TYR 75 Cb 0.46 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 38.43 2qrm h TYR 75 CO 0.02 0.96 -0.36 0.93 -1.64 0.00 0.00 178.16 178.07 2qrm h GLU 76 N 0.98 0.21 0.00 1.82 4.39 -1.00 -3.33 114.58 117.64 2qrm h GLU 76 Ca 0.19 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 2qrm h GLU 76 Cb 0.47 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2qrm h GLU 76 CO 0.02 1.01 -0.20 0.87 -1.16 0.00 0.00 179.01 179.55 2qrm h LYS 77 N -0.48 0.00 -6.56 2.33 1.57 -1.08 -3.49 116.57 108.86 2qrm h LYS 77 Ca -0.05 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.22 2qrm h LYS 77 Cb 1.15 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.49 2qrm h LYS 77 CO 0.07 0.20 -0.97 -3.47 -0.57 0.00 0.00 179.45 174.72 2qrm n ASP 78 N -3.17 -4.14 -4.86 0.86 2.03 0.11 -4.97 116.55 102.41 2qrm n ASP 78 Ca 0.03 -1.14 -0.29 0.00 0.52 0.00 0.00 54.79 53.91 2qrm n ASP 78 Cb 0.58 -2.61 0.10 0.00 -0.72 0.00 0.00 41.12 38.47 2qrm n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2qrm s PRO 79 N -6.66 1.79 0.20 -0.67 0.04 -1.26 -4.98 135.00 123.45 2qrm s PRO 79 Ca 0.42 0.22 -0.31 0.00 0.04 0.00 0.00 61.00 61.37 2qrm s PRO 79 Cb -0.19 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 2qrm s PRO 79 CO 0.91 -1.74 1.59 0.21 0.04 0.00 0.00 177.00 178.01 2qrm s LYS 80 N -5.45 4.19 -0.11 4.56 2.20 -1.26 -4.97 119.74 118.90 2qrm s LYS 80 Ca 0.62 2.42 -0.10 0.00 -0.36 0.00 0.00 55.97 58.56 2qrm s LYS 80 Cb -0.12 -3.12 -0.05 0.00 -1.51 0.00 0.00 37.83 33.03 2qrm s LYS 80 CO 0.51 -0.62 0.20 1.03 -0.36 0.00 0.00 175.35 176.12 2qrm s ARG 81 N 0.82 3.71 -0.21 4.03 1.81 -0.18 -4.55 118.95 124.37 2qrm s ARG 81 Ca 0.69 -0.02 -0.06 0.00 -1.72 0.00 0.00 55.73 54.62 2qrm s ARG 81 Cb -0.45 -3.25 -0.03 0.00 -0.45 0.00 0.00 34.95 30.77 2qrm s ARG 81 CO 0.34 0.65 0.03 0.42 -0.68 0.00 0.00 175.30 176.06 2qrm s ILE 82 N -0.71 4.16 -0.29 1.52 -1.09 -0.42 -1.16 121.20 123.20 2qrm s ILE 82 Ca 0.16 -0.24 -0.03 0.00 -2.23 0.00 0.00 60.65 58.31 2qrm s ILE 82 Cb -0.13 -2.90 0.03 0.00 -1.58 0.00 0.00 42.46 37.88 2qrm s ILE 82 CO 0.05 0.40 0.01 -0.31 -1.23 0.00 0.00 174.94 173.86 2qrm s TYR 83 N 1.13 3.18 -0.45 3.97 2.02 0.99 -0.65 117.35 127.55 2qrm s TYR 83 Ca 0.03 -1.55 -0.15 0.00 -0.37 0.00 0.00 57.07 55.03 2qrm s TYR 83 Cb -0.14 -2.14 0.06 0.00 -0.40 0.00 0.00 41.96 39.33 2qrm s TYR 83 CO 0.02 -0.73 0.36 -0.47 -1.57 0.00 0.00 175.55 173.16 2qrm s TYR 84 N 1.34 3.25 -0.23 2.71 5.04 -0.26 -0.50 117.35 128.71 2qrm s TYR 84 Ca -0.02 -0.88 -0.14 0.00 -2.44 0.00 0.00 57.07 53.59 2qrm s TYR 84 Cb -0.18 -2.99 -0.04 0.00 0.35 0.00 0.00 41.96 39.09 2qrm s TYR 84 CO -0.01 -0.75 0.32 -0.51 -1.34 0.00 0.00 175.55 173.26 2qrm s LEU 85 N 1.63 4.12 -0.08 6.97 1.02 -0.54 -1.50 118.68 130.30 2qrm s LEU 85 Ca 0.04 0.34 -0.12 0.00 0.02 0.00 0.00 54.13 54.41 2qrm s LEU 85 Cb -0.23 -2.36 0.03 0.00 0.02 0.00 0.00 46.19 43.64 2qrm s LEU 85 CO 0.07 -0.05 0.30 -0.55 0.02 0.00 0.00 176.35 176.14 2qrm s SER 86 N 1.18 -0.26 0.00 2.29 0.15 -0.89 -2.02 113.70 114.15 2qrm s SER 86 Ca 0.14 0.42 0.29 0.00 0.70 0.00 0.00 55.95 57.50 2qrm s SER 86 Cb -0.15 0.51 1.21 0.00 -1.71 0.00 0.00 66.02 65.89 2qrm s SER 86 CO 0.07 -0.22 1.86 0.18 1.20 0.00 0.00 173.24 176.33 2qrm n LEU 87 N 2.34 0.30 -3.88 3.45 7.99 -1.26 -4.17 117.00 121.78 2qrm n LEU 87 Ca -0.16 0.14 -0.16 0.00 -0.01 0.00 0.00 56.01 55.81 2qrm n LEU 87 Cb 0.57 -0.26 -0.15 0.00 -0.11 0.00 0.00 43.42 43.47 2qrm n LEU 87 CO 0.18 0.06 -0.39 -1.61 -1.51 0.00 0.00 177.39 174.12 2qrm s GLU 88 N -2.63 0.39 -0.26 3.23 2.02 -1.26 -4.72 118.70 115.46 2qrm s GLU 88 Ca 0.25 -0.05 -0.03 0.00 0.02 0.00 0.00 54.97 55.16 2qrm s GLU 88 Cb 0.20 -0.46 0.09 0.00 0.10 0.00 0.00 34.13 34.06 2qrm s GLU 88 CO 0.50 -0.03 0.10 -0.06 0.02 0.00 0.00 175.26 175.80 2qrm s PHE 89 N 0.52 0.68 -1.01 1.61 0.40 -0.36 -4.58 117.98 115.25 2qrm s PHE 89 Ca -0.05 -0.96 -0.15 0.00 -0.60 0.00 0.00 56.93 55.17 2qrm s PHE 89 Cb -0.09 -1.05 0.18 0.00 0.51 0.00 0.00 43.02 42.58 2qrm s PHE 89 CO -0.01 -0.76 1.12 -0.47 0.70 0.00 0.00 175.22 175.81 2qrm s TYR 90 N 1.98 3.55 -0.01 0.36 6.14 -0.16 -3.46 117.35 125.75 2qrm s TYR 90 Ca 0.07 -1.92 0.11 0.00 0.64 0.00 0.00 57.07 55.97 2qrm s TYR 90 Cb -0.16 -4.12 -0.15 0.00 0.42 0.00 0.00 41.96 37.95 2qrm s TYR 90 CO -0.26 -1.27 1.11 0.52 0.64 0.00 0.00 175.55 176.29 2qrm h MET 91 N 7.83 0.00 0.00 4.97 2.86 -1.75 -3.41 114.93 125.43 2qrm h MET 91 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2qrm h MET 91 Cb 0.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.63 2qrm h MET 91 CO 1.05 0.68 0.00 0.41 1.06 0.00 0.00 176.91 180.11 2qrm n GLY 92 N 1.38 0.27 3.83 8.32 0.00 -0.93 -4.80 105.19 113.25 2qrm n GLY 92 Ca -0.05 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 2qrm n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qrm s ARG 93 N 0.00 3.81 -0.04 1.61 0.52 -1.26 -1.52 118.95 122.08 2qrm s ARG 93 Ca 0.00 1.04 0.07 0.00 -0.52 0.00 0.00 55.73 56.32 2qrm s ARG 93 Cb 0.00 -2.11 -0.10 0.00 0.52 0.00 0.00 34.95 33.26 2qrm s ARG 93 CO 0.00 -0.39 0.08 2.41 0.02 0.00 0.00 175.30 177.43 2qrm n THR 94 N -1.60 0.25 0.40 0.02 -1.04 -1.26 -4.68 114.28 106.38 2qrm n THR 94 Ca 0.07 -0.23 -0.19 0.00 -2.04 0.00 0.00 64.05 61.66 2qrm n THR 94 Cb 0.54 -0.30 -0.09 0.00 -1.82 0.00 0.00 70.33 68.66 2qrm n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2qrm h LEU 95 N 0.00 -0.99 -0.61 -4.42 5.85 -1.96 -1.22 115.31 111.96 2qrm h LEU 95 Ca -0.10 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2qrm h LEU 95 Cb 0.93 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 2qrm h LEU 95 CO 0.01 -0.65 0.28 -0.61 -0.34 0.00 0.00 178.44 177.13 2qrm h GLN 96 N -1.05 0.89 -0.88 1.25 4.15 -1.96 -2.19 115.11 115.32 2qrm h GLN 96 Ca -0.10 -0.14 0.07 0.00 0.77 0.00 0.00 58.65 59.26 2qrm h GLN 96 Cb 0.83 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 28.30 2qrm h GLN 96 CO 0.13 0.73 0.54 -0.97 -1.93 0.00 0.00 178.83 177.33 2qrm h ASN 97 N 0.84 0.84 -0.47 -0.69 -0.73 -1.81 0.12 115.58 113.69 2qrm h ASN 97 Ca 0.21 0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.35 2qrm h ASN 97 Cb 0.14 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.56 2qrm h ASN 97 CO -0.02 0.53 0.11 0.74 -0.37 0.00 0.00 177.43 178.41 2qrm h THR 98 N 0.97 1.24 -0.32 -3.57 2.02 -0.90 -1.84 112.91 110.50 2qrm h THR 98 Ca 0.39 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 2qrm h THR 98 Cb 0.21 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2qrm h THR 98 CO -0.19 0.30 0.15 0.24 0.37 0.00 0.00 175.52 176.40 2qrm h MET 99 N 0.64 0.47 -0.15 6.66 2.86 -0.75 -1.70 114.93 122.96 2qrm h MET 99 Ca 0.15 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 2qrm h MET 99 Cb 0.33 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 2qrm h MET 99 CO 0.00 0.44 -0.13 0.28 1.06 0.00 0.00 176.91 178.56 2qrm h VAL 100 N 0.39 0.64 0.00 -2.22 2.07 -0.92 0.12 116.25 116.33 2qrm h VAL 100 Ca 0.11 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 2qrm h VAL 100 Cb 0.13 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2qrm h VAL 100 CO -0.01 0.00 -0.11 0.78 0.02 0.00 0.00 177.57 178.25 2qrm h ASN 101 N -0.14 0.00 -0.10 0.57 4.21 -1.19 -2.86 115.58 116.07 2qrm h ASN 101 Ca 0.10 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.61 2qrm h ASN 101 Cb 0.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 2qrm h ASN 101 CO -0.24 0.11 0.00 0.18 -1.29 0.00 0.00 177.43 176.19 2qrm n LEU 102 N -3.27 3.02 -3.39 1.61 4.32 -0.65 -0.83 117.00 117.81 2qrm n LEU 102 Ca 0.00 -1.11 -0.22 0.00 -0.02 0.00 0.00 56.01 54.66 2qrm n LEU 102 Cb 0.35 -0.05 0.08 0.00 -1.62 0.00 0.00 43.42 42.17 2qrm n LEU 102 CO 0.30 0.54 0.22 0.00 -1.22 0.00 0.00 177.39 177.24 2qrm n ALA 103 N 1.32 -1.27 0.40 -1.18 0.00 -0.34 -4.94 120.51 114.50 2qrm n ALA 103 Ca 0.15 0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.99 2qrm n ALA 103 Cb 0.58 -5.02 0.04 0.00 0.00 0.00 0.00 19.45 15.04 2qrm n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qrm n LEU 104 N -4.67 1.79 0.18 0.00 4.32 0.26 -4.53 117.00 114.35 2qrm n LEU 104 Ca -0.01 -1.00 -0.15 0.00 -0.02 0.00 0.00 56.01 54.84 2qrm n LEU 104 Cb 0.56 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.28 2qrm n LEU 104 CO 0.61 0.35 0.73 -0.08 -1.22 0.00 0.00 177.39 177.78 2qrm h GLU 105 N 1.87 -0.39 -0.69 3.23 4.81 -1.63 -0.97 114.58 120.80 2qrm h GLU 105 Ca 0.00 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 2qrm h GLU 105 Cb 0.40 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2qrm h GLU 105 CO 0.00 -0.22 0.16 -0.91 -0.73 0.00 0.00 179.01 177.32 2qrm h ASN 106 N -0.48 1.06 -0.23 1.04 2.35 -1.58 -0.59 115.58 117.16 2qrm h ASN 106 Ca -0.04 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.48 2qrm h ASN 106 Cb 0.36 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2qrm h ASN 106 CO 0.07 1.02 0.12 0.00 -1.65 0.00 0.00 177.43 176.99 2qrm h ALA 107 N 1.08 0.28 -0.29 -0.83 0.00 -1.63 0.19 119.26 118.06 2qrm h ALA 107 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2qrm h ALA 107 Cb 0.38 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2qrm h ALA 107 CO 0.00 -0.28 -0.25 0.00 0.00 0.00 0.00 179.25 178.72 2qrm h ASP 109 N 0.49 0.44 0.03 0.00 3.58 -0.76 -1.15 116.42 119.05 2qrm h ASP 109 Ca 0.07 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2qrm h ASP 109 Cb 0.70 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.64 2qrm h ASP 109 CO 0.05 0.39 -0.01 -0.08 -2.88 0.00 0.00 179.24 176.71 2qrm h GLU 110 N 0.46 -0.03 -0.53 0.28 4.57 -0.78 -1.61 114.58 116.93 2qrm h GLU 110 Ca 0.13 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.37 2qrm h GLU 110 Cb 0.04 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.58 2qrm h GLU 110 CO -0.02 0.22 0.23 0.00 -1.18 0.00 0.00 179.01 178.26 2qrm h ALA 111 N 0.68 0.68 -0.32 2.92 0.00 -0.94 -0.30 119.26 121.97 2qrm h ALA 111 Ca -0.00 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2qrm h ALA 111 Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2qrm h ALA 111 CO 0.01 -0.15 -0.35 1.79 0.00 0.00 0.00 179.25 180.55 2qrm h THR 112 N 0.44 1.28 -0.60 0.00 1.35 -1.24 -2.58 112.91 111.57 2qrm h THR 112 Ca 0.25 -1.51 0.01 0.00 -0.55 0.00 0.00 66.41 64.62 2qrm h THR 112 Cb 0.22 1.42 -0.03 0.00 -1.73 0.00 0.00 68.15 68.03 2qrm h THR 112 CO -0.22 0.49 0.39 0.22 -0.25 0.00 0.00 175.52 176.15 2qrm h TYR 113 N 0.60 0.73 0.00 4.73 3.20 -0.68 0.16 116.97 125.72 2qrm h TYR 113 Ca 0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 2qrm h TYR 113 Cb 0.88 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.90 2qrm h TYR 113 CO 0.04 0.45 -0.06 1.96 -1.64 0.00 0.00 178.16 178.91 2qrm h GLN 114 N 0.78 0.00 -0.01 1.82 4.20 -0.96 -1.38 115.11 119.57 2qrm h GLN 114 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2qrm h GLN 114 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2qrm h GLN 114 CO -0.06 0.06 -0.06 1.28 -0.67 0.00 0.00 178.83 179.38 2qrm n LEU 115 N -3.23 1.14 0.00 1.46 4.32 -0.83 -4.94 117.00 114.93 2qrm n LEU 115 Ca -0.00 -0.35 0.00 0.00 -0.02 0.00 0.00 56.01 55.64 2qrm n LEU 115 Cb 0.28 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.04 2qrm n LEU 115 CO 0.28 0.19 0.00 0.61 -1.22 0.00 0.00 177.39 177.25 2qrm n GLY 116 N 1.20 0.59 3.36 -0.72 0.00 -0.52 -5.07 105.19 104.03 2qrm n GLY 116 Ca 0.18 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 2qrm n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qrm s LEU 117 N 0.00 2.29 -0.36 0.99 1.43 0.52 -5.00 118.68 118.55 2qrm s LEU 117 Ca 0.00 -0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 52.26 2qrm s LEU 117 Cb 0.00 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 2qrm s LEU 117 CO 0.00 0.17 0.26 -0.62 0.23 0.00 0.00 176.35 176.39 2qrm s ASP 118 N -1.89 6.07 0.31 2.29 3.68 -1.26 -3.12 116.67 122.76 2qrm s ASP 118 Ca 0.12 -0.54 0.01 0.00 2.13 0.00 0.00 52.55 54.28 2qrm s ASP 118 Cb -0.10 -2.14 0.50 0.00 -1.45 0.00 0.00 42.92 39.73 2qrm s ASP 118 CO 0.05 -0.29 1.87 -0.03 0.13 0.00 0.00 175.17 176.91 2qrm h MET 119 N 8.52 0.74 -0.14 4.34 1.85 -1.91 -2.43 114.93 125.90 2qrm h MET 119 Ca -0.30 -0.13 -0.06 0.00 -0.61 0.00 0.00 59.70 58.59 2qrm h MET 119 Cb 1.15 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 33.05 2qrm h MET 119 CO 0.66 0.65 -0.20 0.93 -0.40 0.00 0.00 176.91 178.55 2qrm h GLU 120 N 0.72 0.23 -0.41 0.39 5.08 -1.99 -0.23 114.58 118.37 2qrm h GLU 120 Ca 0.17 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 2qrm h GLU 120 Cb 0.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2qrm h GLU 120 CO -0.01 0.43 -0.12 1.49 -1.00 0.00 0.00 179.01 179.81 2qrm h GLU 121 N 0.22 0.81 -0.61 2.33 4.81 -1.88 -3.06 114.58 117.20 2qrm h GLU 121 Ca 0.04 -0.32 -0.08 0.00 -0.13 0.00 0.00 59.36 58.87 2qrm h GLU 121 Cb 0.48 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 2qrm h GLU 121 CO 0.03 0.94 0.08 -0.07 -0.73 0.00 0.00 179.01 179.26 2qrm h LEU 122 N 0.63 0.97 -1.68 1.64 4.07 -1.06 -2.96 115.31 116.92 2qrm h LEU 122 Ca 0.10 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 2qrm h LEU 122 Cb 0.66 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 2qrm h LEU 122 CO 0.04 0.98 0.05 -0.33 -1.08 0.00 0.00 178.44 178.11 2qrm h GLU 123 N 0.95 0.26 0.00 1.13 5.08 -1.03 -2.40 114.58 118.57 2qrm h GLU 123 Ca 0.19 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2qrm h GLU 123 Cb 0.44 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2qrm h GLU 123 CO 0.01 0.24 0.00 0.39 -1.00 0.00 0.00 179.01 178.65 2qrm n GLU 124 N -4.44 0.13 0.09 2.33 -0.58 -1.12 -3.09 120.64 113.96 2qrm n GLU 124 Ca -0.00 0.35 -0.11 0.00 -0.42 0.00 0.00 57.16 56.97 2qrm n GLU 124 Cb 0.13 -1.74 -0.08 0.00 -0.57 0.00 0.00 31.44 29.18 2qrm n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2qrm h ILE 125 N 0.00 1.53 -3.38 -3.67 2.04 -1.52 -3.46 117.51 109.04 2qrm h ILE 125 Ca 0.00 -2.93 -0.54 0.00 1.00 0.00 0.00 64.86 62.39 2qrm h ILE 125 Cb 0.34 2.72 0.09 0.00 -0.74 0.00 0.00 36.82 39.23 2qrm h ILE 125 CO 0.00 0.85 0.86 1.21 0.00 0.00 0.00 178.15 181.07 2qrm n GLU 126 N -3.56 2.70 -2.77 2.37 2.13 -1.18 -4.98 120.64 115.35 2qrm n GLU 126 Ca -0.05 0.96 -0.37 0.00 0.66 0.00 0.00 57.16 58.35 2qrm n GLU 126 Cb 0.92 -2.73 -0.06 0.00 0.27 0.00 0.00 31.44 29.83 2qrm n GLU 126 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2qrm s GLU 127 N -0.78 4.60 0.34 5.31 0.41 -1.26 -4.97 118.70 122.35 2qrm s GLU 127 Ca 0.62 1.36 -0.29 0.00 -0.41 0.00 0.00 54.97 56.25 2qrm s GLU 127 Cb -0.49 -2.84 -0.11 0.00 -1.78 0.00 0.00 34.13 28.90 2qrm s GLU 127 CO 0.51 0.29 1.51 -0.51 -0.49 0.00 0.00 175.26 176.57 2qrm s ASP 128 N -1.56 6.39 -0.81 -0.19 1.11 -1.26 -4.53 116.67 115.81 2qrm s ASP 128 Ca 0.49 2.98 -0.24 0.00 0.18 0.00 0.00 52.55 55.96 2qrm s ASP 128 Cb -0.20 -2.65 0.06 0.00 1.07 0.00 0.00 42.92 41.20 2qrm s ASP 128 CO 0.25 -0.86 1.23 0.00 1.18 0.00 0.00 175.17 176.97 2qrm s ALA 129 N -0.68 2.89 -0.91 5.23 0.00 -0.57 -4.91 121.76 122.81 2qrm s ALA 129 Ca 0.56 -1.86 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 2qrm s ALA 129 Cb -0.46 -4.21 0.33 0.00 0.00 0.00 0.00 23.12 18.77 2qrm s ALA 129 CO 0.56 -3.22 1.98 0.41 0.00 0.00 0.00 175.76 175.49 2qrm n GLY 130 N 5.76 5.70 1.85 0.00 0.00 -1.26 -2.20 105.19 115.05 2qrm n GLY 130 Ca 0.11 -2.50 -0.15 0.00 0.00 0.00 0.00 46.02 43.48 2qrm n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qrm n LEU 131 N -0.34 6.29 -3.82 0.99 4.77 -1.22 -0.88 117.00 122.79 2qrm n LEU 131 Ca 0.52 -3.20 -0.07 0.00 -0.03 0.00 0.00 56.01 53.23 2qrm n LEU 131 Cb 0.25 -1.03 -0.02 0.00 -2.33 0.00 0.00 43.42 40.29 2qrm n LEU 131 CO 0.51 1.18 0.51 -0.83 -1.33 0.00 0.00 177.39 177.43 2qrm s GLY 132 N 0.24 -0.14 -0.13 -0.72 0.00 -1.26 -1.23 107.32 104.08 2qrm s GLY 132 Ca 0.29 -0.19 0.11 0.00 0.00 0.00 0.00 44.72 44.93 2qrm s GLY 132 CO -0.00 -0.06 0.34 0.70 0.00 0.00 0.00 173.10 174.08 2qrm n ASN 133 N -0.46 0.87 0.00 1.64 3.02 -1.26 -4.47 115.26 114.61 2qrm n ASN 133 Ca -0.05 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2qrm n ASN 133 Cb 0.60 0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.90 2qrm n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qrm n GLY 134 N 1.75 -0.28 0.22 7.41 0.00 -1.26 -4.92 105.19 108.11 2qrm n GLY 134 Ca -0.27 0.40 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 2qrm n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qrm h GLY 135 N 0.00 0.77 0.88 -0.02 0.00 -1.98 -0.67 103.07 102.05 2qrm h GLY 135 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 2qrm h GLY 135 CO 0.00 0.18 0.05 -2.00 0.00 0.00 0.00 176.54 174.76 2qrm h LEU 136 N 0.61 0.43 -0.77 3.11 6.46 -1.98 -0.58 115.31 122.59 2qrm h LEU 136 Ca 0.23 -0.25 -0.10 0.00 -0.12 0.00 0.00 57.88 57.64 2qrm h LEU 136 Cb 0.07 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 2qrm h LEU 136 CO -0.12 0.57 -0.12 1.23 -0.62 0.00 0.00 178.44 179.39 2qrm h GLY 137 N 0.27 0.88 1.67 3.75 0.00 -1.76 -2.71 103.07 105.16 2qrm h GLY 137 Ca 0.08 -0.67 -0.16 0.00 0.00 0.00 0.00 47.33 46.58 2qrm h GLY 137 CO 0.00 0.62 -0.62 -0.09 0.00 0.00 0.00 176.54 176.45 2qrm h ARG 138 N 0.73 0.34 -0.44 4.80 9.65 -1.03 -0.33 114.38 128.10 2qrm h ARG 138 Ca 0.12 -0.24 0.01 0.00 -1.10 0.00 0.00 59.98 58.78 2qrm h ARG 138 Cb 0.61 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.20 2qrm h ARG 138 CO 0.04 0.85 0.27 1.25 2.80 0.00 0.00 179.97 185.18 2qrm h LEU 139 N 0.25 0.45 -0.85 3.80 5.85 -0.98 -0.69 115.31 123.13 2qrm h LEU 139 Ca -0.01 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.79 2qrm h LEU 139 Cb 1.14 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.01 2qrm h LEU 139 CO 0.10 0.32 0.51 0.00 -0.34 0.00 0.00 178.44 179.04 2qrm h ALA 140 N 1.18 1.20 -0.24 1.25 0.00 -1.37 0.42 119.26 121.69 2qrm h ALA 140 Ca 0.17 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2qrm h ALA 140 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2qrm h ALA 140 CO -0.06 0.20 -0.03 0.00 0.00 0.00 0.00 179.25 179.36 2qrm h ALA 141 N 1.43 0.33 -0.85 0.00 0.00 -1.14 -1.32 119.26 117.72 2qrm h ALA 141 Ca 0.39 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2qrm h ALA 141 Cb 0.27 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2qrm h ALA 141 CO -0.21 0.09 0.53 0.00 0.00 0.00 0.00 179.25 179.66 2qrm h PHE 143 N 1.17 0.83 -0.61 0.00 -1.00 -0.74 -1.48 116.94 115.11 2qrm h PHE 143 Ca 0.31 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.11 2qrm h PHE 143 Cb -0.07 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.18 2qrm h PHE 143 CO -0.00 0.51 0.40 -0.07 -1.61 0.00 0.00 178.31 177.54 2qrm h LEU 144 N 0.89 0.71 -0.17 1.54 3.38 -0.96 0.46 115.31 121.16 2qrm h LEU 144 Ca 0.25 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.21 2qrm h LEU 144 Cb -0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2qrm h LEU 144 CO -0.07 0.52 0.08 -0.78 0.09 0.00 0.00 178.44 178.28 2qrm h ASP 145 N 0.83 0.11 -0.66 -0.43 3.58 -1.18 -2.30 116.42 116.37 2qrm h ASP 145 Ca 0.22 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.60 2qrm h ASP 145 Cb -0.09 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 2qrm h ASP 145 CO -0.05 0.09 0.10 0.28 -2.88 0.00 0.00 179.24 176.79 2qrm h SER 146 N 0.17 1.06 -0.88 2.28 0.02 -1.01 -1.39 113.55 113.81 2qrm h SER 146 Ca 0.07 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 2qrm h SER 146 Cb 0.02 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 2qrm h SER 146 CO -0.05 1.05 0.48 0.24 -1.14 0.00 0.00 176.83 177.40 2qrm h MET 147 N 1.03 1.23 -0.34 3.45 2.86 -0.75 0.15 114.93 122.55 2qrm h MET 147 Ca 0.20 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 2qrm h MET 147 Cb 0.44 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2qrm h MET 147 CO 0.01 0.90 -0.30 0.00 1.06 0.00 0.00 176.91 178.59 2qrm h ALA 148 N 1.29 0.50 -0.26 6.32 0.00 -1.29 -1.28 119.26 124.53 2qrm h ALA 148 Ca 0.31 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2qrm h ALA 148 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2qrm h ALA 148 CO -0.05 0.53 -0.00 1.15 0.00 0.00 0.00 179.25 180.88 2qrm h THR 149 N 0.59 1.16 -0.48 0.00 2.02 -0.94 -2.48 112.91 112.78 2qrm h THR 149 Ca 0.06 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.61 2qrm h THR 149 Cb 0.87 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2qrm h THR 149 CO 0.08 0.21 0.00 0.18 0.37 0.00 0.00 175.52 176.36 2qrm n LEU 150 N -4.33 2.80 -2.14 2.58 4.77 0.01 -4.72 117.00 115.98 2qrm n LEU 150 Ca 0.01 -1.40 -0.18 0.00 -0.03 0.00 0.00 56.01 54.40 2qrm n LEU 150 Cb 0.21 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2qrm n LEU 150 CO 0.38 0.64 -0.17 0.61 -1.33 0.00 0.00 177.39 177.51 2qrm n GLY 151 N 1.17 -0.35 3.82 -0.72 0.00 -0.93 -0.45 105.19 107.73 2qrm n GLY 151 Ca 0.17 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 2qrm n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qrm s LEU 152 N -5.21 4.42 -1.29 0.99 1.43 -0.51 -4.72 118.68 113.79 2qrm s LEU 152 Ca 0.06 1.27 -0.18 0.00 -1.03 0.00 0.00 54.13 54.25 2qrm s LEU 152 Cb -0.03 -3.24 0.03 0.00 0.03 0.00 0.00 46.19 42.98 2qrm s LEU 152 CO 0.08 0.15 1.90 0.00 0.23 0.00 0.00 176.35 178.71 2qrm n ALA 153 N 1.12 3.83 -2.48 4.21 0.00 -1.26 -4.65 120.51 121.27 2qrm n ALA 153 Ca -0.06 -3.72 -0.32 0.00 0.00 0.00 0.00 53.44 49.34 2qrm n ALA 153 Cb 0.51 -3.58 -0.13 0.00 0.00 0.00 0.00 19.45 16.26 2qrm n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qrm s ALA 154 N 4.89 2.67 -0.08 0.00 0.00 -1.26 -1.31 121.76 126.67 2qrm s ALA 154 Ca 0.54 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2qrm s ALA 154 Cb 0.07 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.33 2qrm s ALA 154 CO 0.05 0.57 -0.07 0.71 0.00 0.00 0.00 175.76 177.02 2qrm s TYR 155 N -0.85 1.25 -0.07 0.00 2.02 0.18 -4.06 117.35 115.82 2qrm s TYR 155 Ca 0.14 -0.53 -0.20 0.00 -0.37 0.00 0.00 57.07 56.11 2qrm s TYR 155 Cb -0.11 -1.04 -0.04 0.00 -0.40 0.00 0.00 41.96 40.37 2qrm s TYR 155 CO 0.04 -0.38 0.57 0.20 -1.57 0.00 0.00 175.55 174.41 2qrm s GLY 156 N 1.36 2.52 -0.08 0.71 0.00 -0.96 -1.10 107.32 109.77 2qrm s GLY 156 Ca -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.68 2qrm s GLY 156 CO -0.04 0.86 -0.14 -0.19 0.00 0.00 0.00 173.10 173.59 2qrm s TYR 157 N 0.39 1.67 0.00 1.90 2.02 -0.57 -0.05 117.35 122.72 2qrm s TYR 157 Ca 0.31 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 2qrm s TYR 157 Cb -0.17 -1.20 0.00 0.00 -0.40 0.00 0.00 41.96 40.19 2qrm s TYR 157 CO 0.14 -0.32 0.00 0.41 -1.57 0.00 0.00 175.55 174.21 2qrm n GLY 158 N 3.83 3.26 3.39 0.71 0.00 -0.94 -2.09 105.19 113.36 2qrm n GLY 158 Ca -0.22 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 2qrm n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qrm s ILE 159 N -1.90 2.76 -0.93 -0.61 1.01 -1.26 -1.30 121.20 118.96 2qrm s ILE 159 Ca 0.00 -0.82 -0.20 0.00 0.00 0.00 0.00 60.65 59.63 2qrm s ILE 159 Cb 0.00 -2.08 0.11 0.00 0.01 0.00 0.00 42.46 40.50 2qrm s ILE 159 CO 0.00 0.57 1.19 -0.60 0.00 0.00 0.00 174.94 176.10 2qrm s ARG 160 N -0.35 3.56 0.26 2.79 3.52 -0.33 -4.76 118.95 123.64 2qrm s ARG 160 Ca 0.03 -1.54 -0.29 0.00 -0.13 0.00 0.00 55.73 53.79 2qrm s ARG 160 Cb -0.12 -4.97 -0.09 0.00 -1.56 0.00 0.00 34.95 28.20 2qrm s ARG 160 CO 0.02 -1.88 1.24 0.71 -0.81 0.00 0.00 175.30 174.58 2qrm s TYR 161 N 3.33 3.30 0.23 5.12 2.02 -1.26 -4.75 117.35 125.34 2qrm s TYR 161 Ca 0.35 1.44 -0.01 0.00 -0.37 0.00 0.00 57.07 58.48 2qrm s TYR 161 Cb -0.04 -3.52 0.24 0.00 -0.40 0.00 0.00 41.96 38.24 2qrm s TYR 161 CO -0.08 -1.42 1.60 1.49 -1.57 0.00 0.00 175.55 175.57 2qrm h GLU 162 N 4.34 0.53 -4.77 -0.62 4.81 -0.96 -3.42 114.58 114.48 2qrm h GLU 162 Ca -0.46 -0.27 -0.61 0.00 -0.13 0.00 0.00 59.36 57.89 2qrm h GLU 162 Cb 1.22 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 30.25 2qrm h GLU 162 CO 0.70 0.84 -0.84 -0.06 -0.73 0.00 0.00 179.01 178.93 2qrm s PHE 163 N -4.23 2.19 0.00 0.92 0.40 -0.02 -4.33 117.98 112.91 2qrm s PHE 163 Ca -0.07 -1.15 0.00 0.00 -0.60 0.00 0.00 56.93 55.10 2qrm s PHE 163 Cb 0.12 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 42.08 2qrm s PHE 163 CO 0.82 -0.60 0.00 0.41 0.70 0.00 0.00 175.22 176.54 2qrm n GLY 164 N 4.49 0.70 3.74 4.36 0.00 -1.24 -1.95 105.19 115.29 2qrm n GLY 164 Ca -0.18 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 2qrm n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qrm n ILE 165 N 0.00 0.72 -1.64 -0.61 0.13 -0.06 -4.55 119.36 113.35 2qrm n ILE 165 Ca 0.00 -0.18 -0.38 0.00 -1.10 0.00 0.00 62.75 61.09 2qrm n ILE 165 Cb 0.00 -1.99 0.05 0.00 -0.84 0.00 0.00 39.64 36.86 2qrm n ILE 165 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 2qrm n PHE 166 N 2.69 1.11 -2.58 9.51 1.16 -1.26 -4.55 117.46 123.54 2qrm n PHE 166 Ca 0.11 0.44 -0.42 0.00 -1.87 0.00 0.00 57.45 55.71 2qrm n PHE 166 Cb 0.36 -2.18 -0.03 0.00 -1.61 0.00 0.00 39.48 36.02 2qrm n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 2qrm s ASN 167 N -1.19 7.26 -0.23 5.98 0.01 -0.07 -4.90 114.94 121.81 2qrm s ASN 167 Ca 0.75 1.85 -0.16 0.00 -0.71 0.00 0.00 52.86 54.59 2qrm s ASN 167 Cb -0.42 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.62 2qrm s ASN 167 CO 0.47 -0.32 0.41 -1.58 -1.51 0.00 0.00 177.10 174.58 2qrm s GLN 168 N 0.79 4.11 0.05 -0.60 0.74 -1.26 -1.36 119.66 122.14 2qrm s GLN 168 Ca 0.54 0.18 0.06 0.00 0.05 0.00 0.00 55.36 56.18 2qrm s GLN 168 Cb -0.25 -3.59 -0.04 0.00 1.10 0.00 0.00 33.01 30.23 2qrm s GLN 168 CO 0.29 -0.16 -0.10 0.15 -0.55 0.00 0.00 175.29 174.92 2qrm s LYS 169 N 1.68 2.28 -0.26 1.67 -0.14 -0.43 -3.93 119.74 120.60 2qrm s LYS 169 Ca 0.18 -0.90 -0.06 0.00 -1.36 0.00 0.00 55.97 53.84 2qrm s LYS 169 Cb -0.15 -2.35 -0.00 0.00 -1.68 0.00 0.00 37.83 33.64 2qrm s LYS 169 CO 0.09 0.55 0.03 0.42 -0.76 0.00 0.00 175.35 175.68 2qrm s ILE 170 N -1.07 3.77 -0.19 2.17 -1.09 -1.26 0.19 121.20 123.72 2qrm s ILE 170 Ca 0.18 -0.58 0.01 0.00 -2.23 0.00 0.00 60.65 58.03 2qrm s ILE 170 Cb -0.11 -2.85 0.04 0.00 -1.58 0.00 0.00 42.46 37.96 2qrm s ILE 170 CO 0.10 0.23 -0.12 0.00 -1.23 0.00 0.00 174.94 173.91 2qrm n GLY 172 N 4.67 -0.44 2.40 0.00 0.00 -1.26 -1.61 105.19 108.95 2qrm n GLY 172 Ca -0.16 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2qrm n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrm n GLY 173 N -1.07 1.23 3.80 -0.02 0.00 -1.26 -5.04 105.19 102.83 2qrm n GLY 173 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 2qrm n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qrm s TRP 174 N -3.42 3.36 0.09 1.61 0.52 -0.63 -3.72 118.94 116.74 2qrm s TRP 174 Ca 0.00 0.28 -0.31 0.00 0.02 0.00 0.00 56.10 56.09 2qrm s TRP 174 Cb 0.00 -1.79 -0.07 0.00 -1.15 0.00 0.00 33.47 30.46 2qrm s TRP 174 CO 0.00 0.58 1.35 -1.14 0.02 0.00 0.00 176.95 177.77 2qrm s GLN 175 N -1.52 4.34 0.05 4.98 0.74 -1.26 -0.46 119.66 126.53 2qrm s GLN 175 Ca 0.21 2.00 0.07 0.00 0.05 0.00 0.00 55.36 57.69 2qrm s GLN 175 Cb -0.12 -3.31 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 2qrm s GLN 175 CO 0.11 -0.42 -0.18 -1.64 -0.55 0.00 0.00 175.29 172.61 2qrm s MET 176 N 1.26 2.04 -0.11 1.67 -1.94 0.13 -4.91 119.30 117.44 2qrm s MET 176 Ca 0.63 -1.00 -0.03 0.00 -1.71 0.00 0.00 55.69 53.58 2qrm s MET 176 Cb -0.35 -2.18 -0.03 0.00 2.01 0.00 0.00 34.83 34.28 2qrm s MET 176 CO 0.30 0.53 0.02 -1.21 -0.01 0.00 0.00 175.02 174.65 2qrm s GLU 177 N -1.52 3.21 0.07 2.03 8.01 -1.26 -1.32 118.70 127.93 2qrm s GLU 177 Ca 0.15 -0.37 0.04 0.00 0.01 0.00 0.00 54.97 54.80 2qrm s GLU 177 Cb -0.10 -2.90 -0.03 0.00 -4.31 0.00 0.00 34.13 26.78 2qrm s GLU 177 CO 0.06 0.63 -0.13 -1.83 0.01 0.00 0.00 175.26 174.00 2qrm s GLU 178 N -0.66 0.78 0.19 1.61 -1.05 -0.46 -4.98 118.70 114.12 2qrm s GLU 178 Ca 0.11 -0.95 -0.33 0.00 -0.15 0.00 0.00 54.97 53.65 2qrm s GLU 178 Cb -0.12 -0.70 -0.13 0.00 -0.44 0.00 0.00 34.13 32.74 2qrm s GLU 178 CO 0.02 0.15 1.61 0.00 0.95 0.00 0.00 175.26 177.99 2qrm n ALA 179 N 1.20 1.84 -2.88 -0.84 0.00 -1.26 -0.89 120.51 117.68 2qrm n ALA 179 Ca -0.21 0.43 -0.44 0.00 0.00 0.00 0.00 53.44 53.22 2qrm n ALA 179 Cb 0.55 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.58 2qrm n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qrm s ASP 180 N 0.91 6.71 -1.48 0.00 3.68 -1.26 -4.70 116.67 120.53 2qrm s ASP 180 Ca 0.76 -2.17 -0.10 0.00 2.13 0.00 0.00 52.55 53.17 2qrm s ASP 180 Cb -0.62 -2.42 0.02 0.00 -1.45 0.00 0.00 42.92 38.45 2qrm s ASP 180 CO 0.38 -1.06 2.51 -0.67 0.13 0.00 0.00 175.17 176.47 2qrm n ASP 181 N 6.70 6.85 0.26 -0.34 2.03 -1.26 -3.61 116.55 127.17 2qrm n ASP 181 Ca 0.28 -2.82 0.17 0.00 0.52 0.00 0.00 54.79 52.94 2qrm n ASP 181 Cb 0.48 -1.54 0.77 0.00 -0.72 0.00 0.00 41.12 40.11 2qrm n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 2qrm h TRP 182 N 5.29 0.00 -0.20 -0.67 5.08 -1.92 -2.58 115.95 120.95 2qrm h TRP 182 Ca 0.70 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.67 2qrm h TRP 182 Cb 0.43 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.59 2qrm h TRP 182 CO 1.64 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 180.08 2qrm n LEU 183 N -2.87 2.67 -0.19 0.11 4.77 -1.26 -4.59 117.00 115.64 2qrm n LEU 183 Ca -0.00 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 2qrm n LEU 183 Cb 0.22 -0.12 0.09 0.00 -2.33 0.00 0.00 43.42 41.28 2qrm n LEU 183 CO 0.23 0.52 0.86 -0.09 -1.33 0.00 0.00 177.39 177.58 2qrm h ARG 184 N 3.73 0.15 -0.39 3.23 2.43 -1.86 -0.32 114.38 121.36 2qrm h ARG 184 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2qrm h ARG 184 Cb 0.81 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 2qrm h ARG 184 CO 0.00 0.10 0.00 0.66 -1.51 0.00 0.00 179.97 179.22 2qrm n TYR 185 N -5.23 0.51 0.00 2.20 4.01 -1.26 -5.05 117.16 112.34 2qrm n TYR 185 Ca 0.08 -0.25 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2qrm n TYR 185 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 2qrm n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qrm n GLY 186 N 1.32 -0.32 3.02 2.72 0.00 -0.13 -4.96 105.19 106.84 2qrm n GLY 186 Ca 0.18 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 2qrm n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qrm s ASN 187 N -2.07 4.64 0.44 1.61 2.47 -1.26 -4.88 114.94 115.89 2qrm s ASN 187 Ca 0.00 -1.94 0.31 0.00 0.42 0.00 0.00 52.86 51.65 2qrm s ASN 187 Cb 0.00 -1.57 1.39 0.00 -1.45 0.00 0.00 41.25 39.62 2qrm s ASN 187 CO 0.00 -0.33 1.92 1.55 -3.72 0.00 0.00 177.10 176.51 2qrm h PRO 188 N 7.67 0.00 0.00 0.43 0.13 -1.99 -3.15 132.00 135.09 2qrm h PRO 188 Ca -0.08 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.01 2qrm h PRO 188 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2qrm h PRO 188 CO 0.50 0.00 -0.57 -1.49 -0.23 0.00 0.00 178.00 176.21 2qrm h TRP 189 N 0.00 0.00 -3.37 1.56 4.06 -1.96 -3.46 115.95 112.77 2qrm h TRP 189 Ca 0.00 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.40 2qrm h TRP 189 Cb 0.31 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.44 2qrm h TRP 189 CO 0.00 0.14 -0.15 -1.83 -3.56 0.00 0.00 178.44 173.03 2qrm s GLU 190 N -3.19 3.77 -0.24 0.49 -1.05 -1.19 -4.24 118.70 113.05 2qrm s GLU 190 Ca 0.03 0.21 0.02 0.00 -0.15 0.00 0.00 54.97 55.08 2qrm s GLU 190 Cb 0.07 -2.71 0.05 0.00 -0.44 0.00 0.00 34.13 31.11 2qrm s GLU 190 CO 0.74 0.36 -0.11 0.21 0.95 0.00 0.00 175.26 177.40 2qrm s LYS 191 N -2.72 2.23 0.29 -4.83 2.47 0.77 -4.94 119.74 113.01 2qrm s LYS 191 Ca 0.45 -1.16 -0.30 0.00 -1.56 0.00 0.00 55.97 53.41 2qrm s LYS 191 Cb -0.12 -2.74 -0.11 0.00 -1.46 0.00 0.00 37.83 33.41 2qrm s LYS 191 CO 0.22 -0.50 1.51 0.00 0.16 0.00 0.00 175.35 176.73 2qrm s ALA 192 N 1.21 3.67 -0.55 3.13 0.00 -1.26 -0.91 121.76 127.04 2qrm s ALA 192 Ca -0.06 1.46 0.07 0.00 0.00 0.00 0.00 51.96 53.43 2qrm s ALA 192 Cb -0.18 -3.60 0.31 0.00 0.00 0.00 0.00 23.12 19.64 2qrm s ALA 192 CO -0.07 -0.88 0.82 0.54 0.00 0.00 0.00 175.76 176.18 2qrm n ARG 193 N 1.99 2.51 0.28 0.00 5.12 0.03 -4.92 116.66 121.66 2qrm n ARG 193 Ca 0.06 -4.46 0.17 0.00 -1.93 0.00 0.00 57.85 51.69 2qrm n ARG 193 Cb 0.39 -2.08 0.95 0.00 -1.16 0.00 0.00 32.46 30.56 2qrm n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2qrm h PRO 194 N 3.42 0.00 0.00 5.56 0.13 -1.94 -0.85 132.00 138.31 2qrm h PRO 194 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2qrm h PRO 194 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2qrm h PRO 194 CO 0.75 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.57 2qrm h GLU 195 N 0.00 0.00 -0.55 0.86 9.09 -1.95 -2.80 114.58 119.24 2qrm h GLU 195 Ca 0.02 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.27 2qrm h GLU 195 Cb 0.18 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.18 2qrm h GLU 195 CO -0.00 0.00 0.15 1.19 0.05 0.00 0.00 179.01 180.40 2qrm n PHE 196 N -2.89 1.81 -2.02 2.06 3.72 -0.33 -5.01 117.46 114.80 2qrm n PHE 196 Ca -0.00 -1.23 -0.41 0.00 -0.05 0.00 0.00 57.45 55.76 2qrm n PHE 196 Cb 0.21 -0.56 -0.01 0.00 -0.94 0.00 0.00 39.48 38.17 2qrm n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2qrm s THR 197 N -3.02 2.52 0.02 4.37 2.01 -1.06 -4.66 115.64 115.82 2qrm s THR 197 Ca 0.50 0.52 0.05 0.00 0.31 0.00 0.00 61.69 63.06 2qrm s THR 197 Cb 0.41 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 2qrm s THR 197 CO 0.09 0.12 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.24 2qrm s LEU 198 N -1.96 2.13 0.26 4.42 1.02 -0.53 -4.94 118.68 119.07 2qrm s LEU 198 Ca 0.51 -0.39 -0.24 0.00 0.02 0.00 0.00 54.13 54.02 2qrm s LEU 198 Cb -0.41 -0.62 -0.09 0.00 0.02 0.00 0.00 46.19 45.08 2qrm s LEU 198 CO 0.55 0.07 0.85 -2.16 0.02 0.00 0.00 176.35 175.68 2qrm s PRO 199 N -0.90 4.51 -0.05 1.29 0.04 -1.26 0.12 135.00 138.75 2qrm s PRO 199 Ca 0.03 1.18 0.04 0.00 0.04 0.00 0.00 61.00 62.29 2qrm s PRO 199 Cb -0.07 -2.96 -0.00 0.00 0.04 0.00 0.00 34.50 31.51 2qrm s PRO 199 CO 0.01 0.39 -0.18 0.08 0.04 0.00 0.00 177.00 177.34 2qrm s VAL 200 N -1.46 1.52 -0.06 -0.36 1.01 0.69 -4.84 120.40 116.90 2qrm s VAL 200 Ca 0.44 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 2qrm s VAL 200 Cb -0.20 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2qrm s VAL 200 CO 0.24 0.43 0.05 -1.00 0.00 0.00 0.00 175.10 174.82 2qrm s HIS 201 N 0.09 3.26 0.09 5.22 3.76 -1.26 -0.81 115.29 125.64 2qrm s HIS 201 Ca -0.06 0.25 0.02 0.00 -0.15 0.00 0.00 55.06 55.13 2qrm s HIS 201 Cb -0.13 -1.79 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 2qrm s HIS 201 CO 0.03 0.54 -0.08 -0.06 -0.85 0.00 0.00 174.74 174.32 2qrm s PHE 202 N -1.01 0.90 0.00 1.40 0.40 0.24 -4.97 117.98 114.94 2qrm s PHE 202 Ca 0.17 -0.75 0.00 0.00 -0.60 0.00 0.00 56.93 55.75 2qrm s PHE 202 Cb -0.12 -0.51 0.00 0.00 0.51 0.00 0.00 43.02 42.90 2qrm s PHE 202 CO 0.06 -0.09 0.00 0.66 0.70 0.00 0.00 175.22 176.56 2qrm n TYR 203 N 0.44 0.00 -4.19 0.36 4.01 0.36 -0.81 117.16 117.34 2qrm n TYR 203 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 2qrm n TYR 203 Cb 0.59 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 2qrm n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qrm n GLY 204 N 0.00 -0.76 3.42 2.72 0.00 -1.24 -4.60 105.19 104.72 2qrm n GLY 204 Ca 0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 2qrm n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qrm s ARG 205 N 0.00 1.23 -0.19 1.61 1.70 -0.47 -4.87 118.95 117.96 2qrm s ARG 205 Ca 0.00 -0.86 -0.09 0.00 -0.47 0.00 0.00 55.73 54.31 2qrm s ARG 205 Cb 0.00 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.81 2qrm s ARG 205 CO 0.00 -0.50 0.10 0.08 -1.08 0.00 0.00 175.30 173.90 2qrm s VAL 206 N -3.86 5.12 -0.15 4.99 1.01 -1.26 -1.28 120.40 124.97 2qrm s VAL 206 Ca 0.08 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2qrm s VAL 206 Cb 0.01 -3.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 2qrm s VAL 206 CO -0.06 0.46 -0.16 -0.70 0.00 0.00 0.00 175.10 174.65 2qrm s GLU 207 N 0.28 3.21 -0.22 2.72 2.12 0.13 -4.94 118.70 122.00 2qrm s GLU 207 Ca 0.06 -0.75 -0.13 0.00 0.36 0.00 0.00 54.97 54.51 2qrm s GLU 207 Cb -0.12 -2.61 -0.05 0.00 0.26 0.00 0.00 34.13 31.62 2qrm s GLU 207 CO -0.01 0.03 0.26 -1.01 -0.54 0.00 0.00 175.26 173.99 2qrm s HIS 208 N 0.77 3.35 0.33 5.30 3.76 -1.26 0.46 115.29 128.00 2qrm s HIS 208 Ca -0.06 0.39 0.00 0.00 -0.15 0.00 0.00 55.06 55.24 2qrm s HIS 208 Cb -0.15 -2.37 0.00 0.00 1.11 0.00 0.00 32.58 31.17 2qrm s HIS 208 CO 0.01 0.05 0.01 0.25 -0.85 0.00 0.00 174.74 174.20 2qrm n THR 209 N 4.26 0.00 -0.06 1.30 -2.24 -0.83 -5.01 114.28 111.70 2qrm n THR 209 Ca -0.12 -1.57 0.09 0.00 -2.27 0.00 0.00 64.05 60.17 2qrm n THR 209 Cb 0.52 0.30 0.46 0.00 -2.10 0.00 0.00 70.33 69.51 2qrm n THR 209 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2qrm h SER 210 N 0.79 0.42 -2.44 3.42 0.02 -2.02 -3.25 113.55 110.49 2qrm h SER 210 Ca -0.28 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.07 2qrm h SER 210 Cb 0.84 -0.09 -0.42 0.00 0.14 0.00 0.00 62.40 62.87 2qrm h SER 210 CO 0.46 0.28 -0.59 1.67 -1.14 0.00 0.00 176.83 177.50 2qrm n GLN 211 N -4.47 2.33 -0.28 3.45 -0.06 -1.26 -5.08 117.38 112.00 2qrm n GLN 211 Ca 0.07 -4.62 0.04 0.00 -2.00 0.00 0.00 57.00 50.49 2qrm n GLN 211 Cb 0.25 -2.26 -0.01 0.00 -4.06 0.00 0.00 30.24 24.16 2qrm n GLN 211 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qrm n GLY 212 N 1.16 -1.42 3.84 1.69 0.00 -1.23 -4.94 105.19 104.29 2qrm n GLY 212 Ca 0.27 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 2qrm n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrm s ALA 213 N -1.28 3.05 -0.03 4.61 0.00 -1.26 -1.96 121.76 124.89 2qrm s ALA 213 Ca 0.00 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.22 2qrm s ALA 213 Cb 0.00 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 20.00 2qrm s ALA 213 CO 0.00 -0.16 -0.08 0.15 0.00 0.00 0.00 175.76 175.67 2qrm s LYS 214 N -3.86 0.89 -0.39 0.00 1.02 0.17 -4.90 119.74 112.66 2qrm s LYS 214 Ca 0.60 -0.26 -0.15 0.00 0.02 0.00 0.00 55.97 56.18 2qrm s LYS 214 Cb -0.10 -0.84 0.01 0.00 -0.52 0.00 0.00 37.83 36.38 2qrm s LYS 214 CO 0.27 0.07 0.31 -0.46 -0.92 0.00 0.00 175.35 174.62 2qrm s TRP 215 N 0.30 3.23 0.32 3.18 -0.00 -1.26 0.19 118.94 124.91 2qrm s TRP 215 Ca -0.04 -0.46 0.05 0.00 -0.00 0.00 0.00 56.10 55.64 2qrm s TRP 215 Cb -0.09 -2.61 -0.06 0.00 -0.00 0.00 0.00 33.47 30.71 2qrm s TRP 215 CO 0.00 -0.55 0.02 0.14 -0.00 0.00 0.00 176.95 176.56 2qrm s VAL 216 N 1.76 1.44 -1.53 5.86 -7.23 -0.40 -4.82 120.40 115.48 2qrm s VAL 216 Ca 0.06 -2.03 -0.05 0.00 -1.81 0.00 0.00 61.98 58.15 2qrm s VAL 216 Cb -0.18 -2.73 0.01 0.00 0.56 0.00 0.00 36.38 34.04 2qrm s VAL 216 CO 0.11 -0.09 0.67 0.47 -0.31 0.00 0.00 175.10 175.95 2qrm n ASP 217 N -0.70 -6.06 -4.87 4.85 8.00 -1.26 -1.37 116.55 115.14 2qrm n ASP 217 Ca -0.04 -0.32 -0.31 0.00 0.71 0.00 0.00 54.79 54.83 2qrm n ASP 217 Cb 0.66 -4.88 -0.02 0.00 -0.02 0.00 0.00 41.12 36.85 2qrm n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2qrm s THR 218 N -3.19 4.72 -0.00 -3.53 -4.23 -1.26 -3.71 115.64 104.44 2qrm s THR 218 Ca 0.34 0.78 -0.18 0.00 -1.18 0.00 0.00 61.69 61.44 2qrm s THR 218 Cb -0.15 -3.77 -0.06 0.00 1.34 0.00 0.00 72.50 69.86 2qrm s THR 218 CO 0.42 -0.70 0.52 -1.10 -0.54 0.00 0.00 174.62 173.22 2qrm s GLN 219 N -4.22 4.19 -0.15 3.99 -0.21 0.01 -4.91 119.66 118.36 2qrm s GLN 219 Ca 0.53 0.61 -0.05 0.00 0.02 0.00 0.00 55.36 56.48 2qrm s GLN 219 Cb -0.10 -3.30 -0.03 0.00 1.00 0.00 0.00 33.01 30.57 2qrm s GLN 219 CO 0.36 0.49 0.01 0.08 -2.12 0.00 0.00 175.29 174.11 2qrm s VAL 220 N -0.53 4.29 -0.03 1.09 1.01 -1.26 -0.59 120.40 124.39 2qrm s VAL 220 Ca 0.28 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.11 2qrm s VAL 220 Cb -0.18 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 2qrm s VAL 220 CO 0.16 0.50 -0.25 -0.69 0.00 0.00 0.00 175.10 174.82 2qrm s VAL 221 N 0.12 2.01 0.14 2.92 1.01 0.01 -4.54 120.40 122.07 2qrm s VAL 221 Ca 0.02 -1.08 -0.18 0.00 0.00 0.00 0.00 61.98 60.74 2qrm s VAL 221 Cb -0.13 -1.67 -0.07 0.00 0.00 0.00 0.00 36.38 34.51 2qrm s VAL 221 CO 0.02 0.57 0.61 -0.76 0.00 0.00 0.00 175.10 175.53 2qrm s LEU 222 N -0.53 4.41 -0.32 3.92 1.43 0.68 -0.22 118.68 128.05 2qrm s LEU 222 Ca 0.08 1.24 -0.04 0.00 -1.03 0.00 0.00 54.13 54.37 2qrm s LEU 222 Cb -0.10 -3.23 0.04 0.00 0.03 0.00 0.00 46.19 42.92 2qrm s LEU 222 CO -0.00 0.14 0.05 0.00 0.23 0.00 0.00 176.35 176.77 2qrm s ALA 223 N -1.36 2.94 -0.25 4.21 0.00 0.12 -0.95 121.76 126.47 2qrm s ALA 223 Ca 0.36 -1.71 -0.10 0.00 0.00 0.00 0.00 51.96 50.51 2qrm s ALA 223 Cb -0.17 -2.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 2qrm s ALA 223 CO 0.20 -1.25 0.15 1.41 0.00 0.00 0.00 175.76 176.27 2qrm s MET 224 N 1.35 3.96 0.20 0.00 1.75 0.21 -1.46 119.30 125.31 2qrm s MET 224 Ca -0.03 -0.33 -0.23 0.00 -1.25 0.00 0.00 55.69 53.86 2qrm s MET 224 Cb -0.19 -3.53 -0.08 0.00 2.84 0.00 0.00 34.83 33.87 2qrm s MET 224 CO 0.01 -0.05 0.77 -1.25 -0.65 0.00 0.00 175.02 173.85 2qrm s PRO 225 N 1.36 4.45 -0.12 4.11 0.04 -1.26 -0.31 135.00 143.27 2qrm s PRO 225 Ca 0.07 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.20 2qrm s PRO 225 Cb -0.15 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2qrm s PRO 225 CO 0.07 0.47 -0.21 0.71 0.04 0.00 0.00 177.00 178.08 2qrm s TYR 226 N -1.34 2.64 -0.16 0.56 1.51 0.21 -0.79 117.35 119.98 2qrm s TYR 226 Ca 0.40 -1.10 -0.07 0.00 -1.01 0.00 0.00 57.07 55.29 2qrm s TYR 226 Cb -0.20 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 2qrm s TYR 226 CO 0.24 -0.47 0.06 -0.51 -1.11 0.00 0.00 175.55 173.76 2qrm s ASP 227 N 0.54 5.66 -0.08 2.29 -0.00 -0.09 -1.18 116.67 123.81 2qrm s ASP 227 Ca -0.13 0.13 0.05 0.00 -0.00 0.00 0.00 52.55 52.60 2qrm s ASP 227 Cb -0.17 -1.91 -0.00 0.00 -0.00 0.00 0.00 42.92 40.84 2qrm s ASP 227 CO 0.04 0.23 -0.24 -0.89 -0.00 0.00 0.00 175.17 174.30 2qrm s THR 228 N 0.06 2.05 0.35 -1.27 2.01 -0.05 -0.16 115.64 118.63 2qrm s THR 228 Ca 0.05 -1.03 -0.27 0.00 0.31 0.00 0.00 61.69 60.75 2qrm s THR 228 Cb -0.12 -1.76 -0.09 0.00 0.01 0.00 0.00 72.50 70.54 2qrm s THR 228 CO 0.01 0.56 1.12 -2.16 -0.69 0.00 0.00 174.62 173.46 2qrm s PRO 229 N 0.16 4.34 -0.37 4.92 0.04 -1.26 -1.10 135.00 141.73 2qrm s PRO 229 Ca -0.13 1.76 0.03 0.00 0.04 0.00 0.00 61.00 62.70 2qrm s PRO 229 Cb -0.16 -2.88 0.11 0.00 0.04 0.00 0.00 34.50 31.60 2qrm s PRO 229 CO 0.07 -0.04 0.11 0.08 0.04 0.00 0.00 177.00 177.26 2qrm s VAL 230 N -1.35 2.00 0.18 -0.36 1.01 0.56 -4.88 120.40 117.56 2qrm s VAL 230 Ca 0.51 -2.36 -0.30 0.00 0.00 0.00 0.00 61.98 59.84 2qrm s VAL 230 Cb -0.30 -2.46 -0.07 0.00 0.00 0.00 0.00 36.38 33.55 2qrm s VAL 230 CO 0.38 -0.67 0.97 -2.16 0.00 0.00 0.00 175.10 173.61 2qrm s PRO 231 N 0.78 4.76 0.73 2.72 0.04 -1.26 -1.19 135.00 141.58 2qrm s PRO 231 Ca 0.12 1.51 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 2qrm s PRO 231 Cb -0.20 -3.32 0.03 0.00 0.04 0.00 0.00 34.50 31.05 2qrm s PRO 231 CO -0.09 0.33 1.12 0.20 0.04 0.00 0.00 177.00 178.60 2qrm s GLY 232 N -0.56 1.62 -0.69 0.56 0.00 0.03 -4.76 107.32 103.52 2qrm s GLY 232 Ca 0.44 -0.43 -0.27 0.00 0.00 0.00 0.00 44.72 44.46 2qrm s GLY 232 CO 0.32 -0.03 1.47 -0.47 0.00 0.00 0.00 173.10 174.38 2qrm s TYR 233 N -3.42 2.09 -1.31 1.90 6.14 -1.26 -4.20 117.35 117.29 2qrm s TYR 233 Ca 0.59 0.24 -0.02 0.00 0.64 0.00 0.00 57.07 58.52 2qrm s TYR 233 Cb -0.11 -4.45 0.01 0.00 0.42 0.00 0.00 41.96 37.83 2qrm s TYR 233 CO 0.51 -2.14 0.14 0.54 0.64 0.00 0.00 175.55 175.24 2qrm n ARG 234 N 9.28 -2.59 -0.03 4.97 1.74 -0.01 -4.81 116.66 125.20 2qrm n ARG 234 Ca 0.09 0.71 0.02 0.00 -0.77 0.00 0.00 57.85 57.90 2qrm n ARG 234 Cb 0.50 -5.37 0.04 0.00 -1.02 0.00 0.00 32.46 26.60 2qrm n ARG 234 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2qrm n ASN 235 N -2.01 1.85 -1.03 0.55 2.04 -1.26 -4.95 115.26 110.46 2qrm n ASN 235 Ca -0.15 -1.60 -0.13 0.00 -0.44 0.00 0.00 54.58 52.26 2qrm n ASN 235 Cb 0.62 -0.04 -0.06 0.00 -2.53 0.00 0.00 39.78 37.77 2qrm n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2qrm n ASN 236 N 0.04 -5.57 -4.75 0.53 3.02 -1.26 -1.21 115.26 106.06 2qrm n ASN 236 Ca 0.03 0.33 -0.39 0.00 -0.03 0.00 0.00 54.58 54.53 2qrm n ASN 236 Cb 0.21 -4.25 -0.05 0.00 -0.61 0.00 0.00 39.78 35.07 2qrm n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2qrm s VAL 237 N -2.18 4.96 -0.22 2.41 1.01 -1.26 -4.78 120.40 120.34 2qrm s VAL 237 Ca 0.00 1.27 -0.02 0.00 0.00 0.00 0.00 61.98 63.23 2qrm s VAL 237 Cb 0.00 -3.95 0.07 0.00 0.00 0.00 0.00 36.38 32.50 2qrm s VAL 237 CO 0.00 0.37 0.05 -0.69 0.00 0.00 0.00 175.10 174.83 2qrm s VAL 238 N 0.11 0.62 0.79 2.92 1.01 -1.26 -0.79 120.40 123.81 2qrm s VAL 238 Ca 0.32 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 2qrm s VAL 238 Cb -0.18 -1.19 0.16 0.00 0.00 0.00 0.00 36.38 35.17 2qrm s VAL 238 CO 0.17 -0.31 1.09 0.20 0.00 0.00 0.00 175.10 176.25 2qrm s ASN 239 N 1.80 3.92 -0.05 3.32 0.01 -0.33 -4.64 114.94 118.96 2qrm s ASN 239 Ca 0.01 -0.40 0.05 0.00 -0.71 0.00 0.00 52.86 51.81 2qrm s ASN 239 Cb -0.17 0.20 -0.01 0.00 0.41 0.00 0.00 41.25 41.68 2qrm s ASN 239 CO -0.12 -2.17 -0.22 -0.89 -1.51 0.00 0.00 177.10 172.19 2qrm s THR 240 N -3.33 1.79 -0.27 1.60 2.01 -1.26 -0.32 115.64 115.86 2qrm s THR 240 Ca 0.70 -0.92 -0.08 0.00 0.31 0.00 0.00 61.69 61.70 2qrm s THR 240 Cb -0.04 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.93 2qrm s THR 240 CO 0.47 0.50 0.09 -0.32 -0.69 0.00 0.00 174.62 174.67 2qrm s MET 241 N -0.06 3.49 -0.26 4.92 1.75 -0.26 -2.28 119.30 126.60 2qrm s MET 241 Ca -0.04 -0.59 -0.07 0.00 -1.25 0.00 0.00 55.69 53.74 2qrm s MET 241 Cb -0.13 -3.38 -0.01 0.00 2.84 0.00 0.00 34.83 34.15 2qrm s MET 241 CO 0.03 -0.28 0.06 0.50 -0.65 0.00 0.00 175.02 174.69 2qrm s ARG 242 N 1.59 3.42 -0.12 4.11 3.52 0.93 -0.87 118.95 131.53 2qrm s ARG 242 Ca 0.05 -0.63 0.01 0.00 -0.13 0.00 0.00 55.73 55.03 2qrm s ARG 242 Cb -0.16 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 2qrm s ARG 242 CO 0.04 -0.29 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.58 2qrm s LEU 243 N 1.56 2.61 0.06 -0.88 1.43 -0.32 -2.21 118.68 120.92 2qrm s LEU 243 Ca 0.05 -0.36 -0.19 0.00 -1.03 0.00 0.00 54.13 52.60 2qrm s LEU 243 Cb -0.16 -1.57 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 2qrm s LEU 243 CO 0.02 0.17 0.55 0.26 0.23 0.00 0.00 176.35 177.58 2qrm s TRP 244 N 0.29 3.79 -0.03 0.29 0.52 -0.42 -0.62 118.94 122.76 2qrm s TRP 244 Ca -0.11 1.23 0.07 0.00 0.02 0.00 0.00 56.10 57.30 2qrm s TRP 244 Cb -0.16 -2.47 -0.02 0.00 -1.15 0.00 0.00 33.47 29.67 2qrm s TRP 244 CO 0.06 0.58 -0.23 0.45 0.02 0.00 0.00 176.95 177.83 2qrm s SER 245 N -1.04 3.27 0.04 2.95 0.15 0.57 -1.19 113.70 118.44 2qrm s SER 245 Ca 0.28 -0.42 -0.27 0.00 0.70 0.00 0.00 55.95 56.25 2qrm s SER 245 Cb -0.19 -0.52 -0.05 0.00 -1.71 0.00 0.00 66.02 63.55 2qrm s SER 245 CO 0.18 0.31 0.83 0.00 1.20 0.00 0.00 173.24 175.77 2qrm s ALA 246 N -0.57 3.30 -0.01 5.45 0.00 -1.26 -0.62 121.76 128.05 2qrm s ALA 246 Ca 0.08 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.43 2qrm s ALA 246 Cb -0.11 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2qrm s ALA 246 CO -0.00 -0.03 -0.04 0.15 0.00 0.00 0.00 175.76 175.84 2qrm s LYS 247 N 0.25 0.44 0.30 0.00 -0.14 -0.12 -4.66 119.74 115.80 2qrm s LYS 247 Ca 0.42 -0.15 -0.27 0.00 -1.36 0.00 0.00 55.97 54.61 2qrm s LYS 247 Cb -0.21 -0.44 -0.09 0.00 -1.68 0.00 0.00 37.83 35.41 2qrm s LYS 247 CO 0.25 0.07 0.99 0.00 -0.76 0.00 0.00 175.35 175.89 2qrm s ALA 248 N 0.09 3.26 0.75 5.17 0.00 -1.26 -0.23 121.76 129.53 2qrm s ALA 248 Ca -0.01 0.65 -0.13 0.00 0.00 0.00 0.00 51.96 52.48 2qrm s ALA 248 Cb -0.04 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 19.89 2qrm s ALA 248 CO -0.00 0.06 1.13 -1.25 0.00 0.00 0.00 175.76 175.69 2qrm s PRO 249 N -1.77 2.24 0.50 0.00 0.04 -1.26 -4.86 135.00 129.88 2qrm s PRO 249 Ca 0.48 1.40 0.29 0.00 0.04 0.00 0.00 61.00 63.21 2qrm s PRO 249 Cb -0.24 -1.88 1.14 0.00 0.04 0.00 0.00 34.50 33.56 2qrm s PRO 249 CO 0.30 -1.69 1.90 -0.91 0.04 0.00 0.00 177.00 176.64 2qrm h ASN 250 N -0.70 0.00 -0.46 6.66 2.35 -2.00 -1.75 115.58 119.68 2qrm h ASN 250 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 2qrm h ASN 250 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 2qrm h ASN 250 CO 0.50 0.08 0.00 -0.90 -1.65 0.00 0.00 177.43 175.46 2qrm n ASP 251 N -3.20 2.72 -4.69 5.81 5.68 -1.26 -4.89 116.55 116.72 2qrm n ASP 251 Ca 0.01 -2.08 -0.43 0.00 -0.50 0.00 0.00 54.79 51.78 2qrm n ASP 251 Cb 0.37 -0.36 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 2qrm n ASP 251 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 2qrm n PHE 252 N 0.81 2.56 -0.90 2.11 7.35 -0.66 -0.42 117.46 128.31 2qrm n PHE 252 Ca 0.16 -0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 2qrm n PHE 252 Cb 0.46 -2.70 0.00 0.00 0.35 0.00 0.00 39.48 37.59 2qrm n PHE 252 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2qrm n ASN 253 N 5.32 -4.71 -4.06 -2.13 4.13 -1.26 -4.76 115.26 107.79 2qrm n ASN 253 Ca 0.18 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 56.12 2qrm n ASN 253 Cb 0.35 -3.24 -0.16 0.00 -1.54 0.00 0.00 39.78 35.19 2qrm n ASN 253 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2qrm s LEU 254 N 0.00 2.57 0.00 3.41 1.43 0.44 -4.86 118.68 121.68 2qrm s LEU 254 Ca 0.00 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.15 2qrm s LEU 254 Cb 0.00 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.80 2qrm s LEU 254 CO 0.00 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.08 2qrm n GLY 261 N 4.59 -2.08 0.16 -3.19 0.00 -1.26 -4.99 105.19 98.42 2qrm n GLY 261 Ca -0.17 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 2qrm n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qrm h TYR 262 N 0.00 -0.26 0.04 1.61 3.20 -2.00 -2.02 116.97 117.54 2qrm h TYR 262 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2qrm h TYR 262 Cb 0.00 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 2qrm h TYR 262 CO 0.00 -0.16 -0.03 0.82 -1.64 0.00 0.00 178.16 177.15 2qrm h ILE 263 N -0.11 0.94 -0.86 1.81 1.08 -2.02 -2.55 117.51 115.80 2qrm h ILE 263 Ca 0.09 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.57 2qrm h ILE 263 Cb 0.25 0.94 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 2qrm h ILE 263 CO -0.22 0.00 0.55 -0.61 -0.69 0.00 0.00 178.15 177.18 2qrm h GLN 264 N -0.07 1.14 -0.69 2.37 5.75 -1.96 -1.17 115.11 120.48 2qrm h GLN 264 Ca -0.00 -0.08 0.03 0.00 -0.15 0.00 0.00 58.65 58.45 2qrm h GLN 264 Cb 0.06 -0.25 -0.04 0.00 1.07 0.00 0.00 27.48 28.32 2qrm h GLN 264 CO -0.00 0.77 0.43 0.00 -2.65 0.00 0.00 178.83 177.38 2qrm h ALA 265 N 1.44 0.90 -0.41 3.38 0.00 -1.07 0.11 119.26 123.61 2qrm h ALA 265 Ca 0.31 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 2qrm h ALA 265 Cb -0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2qrm h ALA 265 CO -0.06 0.20 -0.15 0.28 0.00 0.00 0.00 179.25 179.51 2qrm h VAL 266 N 0.84 1.28 -0.13 0.00 2.07 -1.04 -3.05 116.25 116.22 2qrm h VAL 266 Ca 0.28 -1.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 2qrm h VAL 266 Cb 0.02 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2qrm h VAL 266 CO -0.11 0.43 -0.16 -0.07 0.02 0.00 0.00 177.57 177.68 2qrm h LEU 267 N 0.63 0.20 0.00 2.57 3.38 -0.78 -2.68 115.31 118.63 2qrm h LEU 267 Ca 0.10 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2qrm h LEU 267 Cb 0.70 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2qrm h LEU 267 CO 0.05 0.38 0.00 0.47 0.09 0.00 0.00 178.44 179.43 2qrm n ASP 268 N -4.26 0.00 0.26 -0.43 8.00 0.35 -2.99 116.55 117.48 2qrm n ASP 268 Ca -0.01 -0.23 0.14 0.00 0.71 0.00 0.00 54.79 55.40 2qrm n ASP 268 Cb 0.28 -0.21 0.82 0.00 -0.02 0.00 0.00 41.12 42.00 2qrm n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2qrm h ARG 269 N 0.00 0.00 -0.61 -1.24 3.08 -1.50 -2.06 114.38 112.05 2qrm h ARG 269 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.20 2qrm h ARG 269 Cb 0.16 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 2qrm h ARG 269 CO 0.00 0.00 0.43 -0.91 -1.07 0.00 0.00 179.97 178.42 2qrm h ASN 270 N 0.00 0.13 -0.56 7.04 -0.26 -1.77 -2.49 115.58 117.67 2qrm h ASN 270 Ca 0.02 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 2qrm h ASN 270 Cb 0.11 -0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 37.32 2qrm h ASN 270 CO -0.00 0.07 0.30 -0.07 -1.06 0.00 0.00 177.43 176.67 2qrm h LEU 271 N 0.14 0.71 -0.35 1.61 4.07 -1.64 -0.20 115.31 119.65 2qrm h LEU 271 Ca 0.29 -0.10 -0.17 0.00 0.08 0.00 0.00 57.88 57.98 2qrm h LEU 271 Cb 0.97 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.52 2qrm h LEU 271 CO -0.04 0.61 -0.47 0.00 -1.08 0.00 0.00 178.44 177.46 2qrm h ALA 272 N 1.13 0.52 0.00 1.53 0.00 -1.64 -3.29 119.26 117.51 2qrm h ALA 272 Ca 0.20 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qrm h ALA 272 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2qrm h ALA 272 CO -0.03 0.68 0.00 0.39 0.00 0.00 0.00 179.25 180.29 2qrm n GLU 273 N -4.03 0.23 0.31 0.00 1.02 -1.01 -3.11 120.64 114.05 2qrm n GLU 273 Ca -0.03 0.23 0.20 0.00 -0.02 0.00 0.00 57.16 57.54 2qrm n GLU 273 Cb 0.59 -1.79 1.04 0.00 -0.02 0.00 0.00 31.44 31.26 2qrm n GLU 273 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2qrm h ASN 274 N 0.00 0.00 -0.78 1.62 2.35 -1.11 -3.12 115.58 114.54 2qrm h ASN 274 Ca 0.00 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.90 2qrm h ASN 274 Cb 0.66 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.93 2qrm h ASN 274 CO 0.00 0.00 0.31 0.40 -1.65 0.00 0.00 177.43 176.49 2qrm h ILE 275 N 0.00 0.63 -0.55 2.81 2.04 -1.77 -1.94 117.51 118.73 2qrm h ILE 275 Ca 0.00 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 2qrm h ILE 275 Cb 0.13 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 2qrm h ILE 275 CO 0.00 0.08 0.03 -1.54 0.00 0.00 0.00 178.15 176.72 2qrm n SER 276 N -5.01 5.40 -0.02 1.72 3.41 -1.18 -4.64 113.62 113.31 2qrm n SER 276 Ca 0.16 -2.98 -0.16 0.00 -0.26 0.00 0.00 58.87 55.62 2qrm n SER 276 Cb 0.45 -0.67 -0.10 0.00 -0.26 0.00 0.00 64.21 63.63 2qrm n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2qrm h ARG 277 N 3.55 0.43 -3.06 4.33 9.65 -1.48 -1.84 114.38 125.96 2qrm h ARG 277 Ca 0.03 -0.39 -0.16 0.00 -1.10 0.00 0.00 59.98 58.35 2qrm h ARG 277 Cb 1.95 0.10 -0.25 0.00 -1.39 0.00 0.00 29.97 30.37 2qrm h ARG 277 CO 0.48 1.04 -0.39 0.54 2.80 0.00 0.00 179.97 184.44 2qrm s VAL 278 N -3.46 -0.00 0.06 0.20 0.11 -1.26 -0.84 120.40 115.21 2qrm s VAL 278 Ca -0.13 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.61 2qrm s VAL 278 Cb 0.04 -0.39 -0.06 0.00 -1.53 0.00 0.00 36.38 34.44 2qrm s VAL 278 CO 0.81 0.00 1.25 -0.22 -3.33 0.00 0.00 175.10 173.62 2qrm s LEU 279 N 0.16 4.36 -0.00 2.54 2.96 -0.82 -4.99 118.68 122.88 2qrm s LEU 279 Ca -0.00 2.07 -0.30 0.00 -0.22 0.00 0.00 54.13 55.68 2qrm s LEU 279 Cb -0.02 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.02 2qrm s LEU 279 CO 0.00 -0.54 1.71 -0.31 -1.32 0.00 0.00 176.35 175.89 2qrm s TYR 280 N 1.27 1.99 -0.35 5.38 1.51 -1.26 -4.85 117.35 121.04 2qrm s TYR 280 Ca 0.60 0.12 0.03 0.00 -1.01 0.00 0.00 57.07 56.81 2qrm s TYR 280 Cb -0.31 -3.99 0.26 0.00 -0.11 0.00 0.00 41.96 37.81 2qrm s TYR 280 CO 0.29 -4.15 1.20 -0.35 -1.11 0.00 0.00 175.55 171.42 2qrm n PRO 281 N 6.74 1.77 -3.27 -1.71 -0.04 -1.26 -4.89 135.00 132.33 2qrm n PRO 281 Ca 0.17 -1.08 -0.39 0.00 -0.04 0.00 0.00 63.50 62.16 2qrm n PRO 281 Cb 0.42 -1.54 -0.07 0.00 -0.04 0.00 0.00 33.50 32.27 2qrm n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2qrm s ASN 282 N 0.03 6.48 -0.31 3.54 0.01 -1.26 -4.43 114.94 119.00 2qrm s ASN 282 Ca 0.20 0.58 -0.12 0.00 -0.71 0.00 0.00 52.86 52.81 2qrm s ASN 282 Cb 0.16 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.52 2qrm s ASN 282 CO 0.04 -0.20 0.21 -0.62 -1.51 0.00 0.00 177.10 175.02 2qrm s ASP 283 N 1.28 5.97 -1.16 -1.22 2.15 -1.26 -4.55 116.67 117.88 2qrm s ASP 283 Ca 0.22 -0.24 -0.07 0.00 0.43 0.00 0.00 52.55 52.88 2qrm s ASP 283 Cb -0.15 -2.11 -0.03 0.00 -0.30 0.00 0.00 42.92 40.33 2qrm s ASP 283 CO 0.09 -0.14 0.83 0.59 -0.17 0.00 0.00 175.17 176.37 2qrm n ASN 284 N 5.07 -4.15 -3.64 -0.34 3.02 -1.26 -5.03 115.26 108.93 2qrm n ASN 284 Ca -0.13 -0.81 -0.08 0.00 -0.03 0.00 0.00 54.58 53.53 2qrm n ASN 284 Cb 0.51 -4.42 -0.07 0.00 -0.61 0.00 0.00 39.78 35.19 2qrm n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2qrm s PHE 285 N -3.49 -0.84 -0.26 3.10 5.36 -1.26 -4.44 117.98 116.15 2qrm s PHE 285 Ca 0.27 1.79 -0.11 0.00 -0.96 0.00 0.00 56.93 57.93 2qrm s PHE 285 Cb -0.06 0.46 -0.05 0.00 -0.34 0.00 0.00 43.02 43.03 2qrm s PHE 285 CO 0.79 -0.41 0.17 0.12 -1.46 0.00 0.00 175.22 174.43 2qrm s PHE 286 N 1.09 3.25 -0.27 10.12 2.19 0.26 -4.88 117.98 129.74 2qrm s PHE 286 Ca -0.06 0.14 0.00 0.00 0.33 0.00 0.00 56.93 57.35 2qrm s PHE 286 Cb -0.05 -2.33 0.05 0.00 -1.31 0.00 0.00 43.02 39.38 2qrm s PHE 286 CO -0.12 -0.07 -0.06 -2.00 1.83 0.00 0.00 175.22 174.80 2qrm s GLU 287 N 1.45 2.47 -0.93 10.12 2.12 -1.26 -4.96 118.70 127.72 2qrm s GLU 287 Ca 0.07 -1.21 -0.08 0.00 0.36 0.00 0.00 54.97 54.11 2qrm s GLU 287 Cb -0.15 -3.01 -0.16 0.00 0.26 0.00 0.00 34.13 31.07 2qrm s GLU 287 CO 0.08 -0.54 3.20 0.41 -0.54 0.00 0.00 175.26 177.88 2qrm n GLY 288 N 4.57 3.68 3.85 -1.50 0.00 -1.26 -4.93 105.19 109.60 2qrm n GLY 288 Ca -0.15 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 2qrm n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qrm s LYS 289 N 1.72 3.95 0.22 1.61 -0.14 -1.26 -4.99 119.74 120.85 2qrm s LYS 289 Ca 0.68 0.45 -0.08 0.00 -1.36 0.00 0.00 55.97 55.65 2qrm s LYS 289 Cb 0.23 -2.92 0.21 0.00 -1.68 0.00 0.00 37.83 33.67 2qrm s LYS 289 CO -0.03 0.48 1.89 1.49 -0.76 0.00 0.00 175.35 178.41 2qrm h GLU 290 N 3.52 1.05 -0.88 1.68 4.81 -2.00 -2.44 114.58 120.32 2qrm h GLU 290 Ca -0.49 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 58.72 2qrm h GLU 290 Cb 1.19 -0.24 -0.05 0.00 0.63 0.00 0.00 28.75 30.28 2qrm h GLU 290 CO 0.66 0.70 0.58 1.25 -0.73 0.00 0.00 179.01 181.46 2qrm h LEU 291 N 1.08 0.94 -0.73 1.64 5.85 -1.98 -0.67 115.31 121.44 2qrm h LEU 291 Ca 0.32 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.95 2qrm h LEU 291 Cb -0.07 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 2qrm h LEU 291 CO -0.09 0.64 0.15 -0.09 -0.34 0.00 0.00 178.44 178.71 2qrm h ARG 292 N 1.08 1.11 -0.75 1.25 9.65 -1.81 -1.48 114.38 123.45 2qrm h ARG 292 Ca 0.35 -0.28 -0.05 0.00 -1.10 0.00 0.00 59.98 58.90 2qrm h ARG 292 Cb 0.05 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 2qrm h ARG 292 CO -0.11 1.00 0.26 1.25 2.80 0.00 0.00 179.97 185.17 2qrm h LEU 293 N 1.05 1.07 -0.76 3.80 5.85 -1.01 -1.85 115.31 123.45 2qrm h LEU 293 Ca 0.21 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2qrm h LEU 293 Cb 0.40 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2qrm h LEU 293 CO 0.01 0.98 0.43 0.11 -0.34 0.00 0.00 178.44 179.62 2qrm h LYS 294 N 1.10 1.06 -0.45 1.25 1.57 -0.84 -1.41 116.57 118.84 2qrm h LYS 294 Ca 0.25 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2qrm h LYS 294 Cb 0.27 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2qrm h LYS 294 CO -0.01 0.78 0.28 1.96 -0.57 0.00 0.00 179.45 181.88 2qrm h GLN 295 N 1.05 0.54 -0.53 3.15 4.20 -0.96 0.51 115.11 123.07 2qrm h GLN 295 Ca 0.27 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.89 2qrm h GLN 295 Cb 0.02 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2qrm h GLN 295 CO -0.04 0.36 0.13 0.93 -0.67 0.00 0.00 178.83 179.54 2qrm h GLU 296 N 0.56 0.85 -0.30 1.46 5.08 -0.94 -2.16 114.58 119.13 2qrm h GLU 296 Ca 0.18 -0.20 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 2qrm h GLU 296 Cb -0.01 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 2qrm h GLU 296 CO -0.07 0.81 -0.51 -0.92 -1.00 0.00 0.00 179.01 177.31 2qrm h TYR 297 N 0.75 1.07 -0.32 4.33 3.20 -1.13 -2.94 116.97 121.93 2qrm h TYR 297 Ca 0.17 -0.37 0.07 0.00 3.14 0.00 0.00 58.73 61.74 2qrm h TYR 297 Cb 0.33 -0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.32 2qrm h TYR 297 CO 0.02 1.19 -0.15 0.35 -1.64 0.00 0.00 178.16 177.93 2qrm h PHE 298 N 0.67 -0.37 -0.56 -3.82 3.57 -0.70 0.21 116.94 115.93 2qrm h PHE 298 Ca 0.02 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 2qrm h PHE 298 Cb 1.11 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 40.04 2qrm h PHE 298 CO 0.07 -0.23 0.11 -0.24 -2.23 0.00 0.00 178.31 175.79 2qrm h VAL 299 N -0.10 1.25 -0.18 1.41 3.04 -1.44 -2.73 116.25 117.50 2qrm h VAL 299 Ca 0.16 -0.94 -0.04 0.00 -1.01 0.00 0.00 66.70 64.88 2qrm h VAL 299 Cb 0.35 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 30.40 2qrm h VAL 299 CO -0.39 0.34 -0.03 0.58 -1.01 0.00 0.00 177.57 177.07 2qrm h VAL 300 N 0.82 1.28 -0.24 1.51 2.07 -1.23 -1.68 116.25 118.78 2qrm h VAL 300 Ca 0.17 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 2qrm h VAL 300 Cb 0.39 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2qrm h VAL 300 CO 0.01 0.29 0.01 0.00 0.02 0.00 0.00 177.57 177.90 2qrm h ALA 301 N 0.74 0.32 -0.27 1.67 0.00 -0.64 -1.12 119.26 119.97 2qrm h ALA 301 Ca 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2qrm h ALA 301 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2qrm h ALA 301 CO 0.02 0.03 0.06 0.00 0.00 0.00 0.00 179.25 179.36 2qrm h ALA 302 N 0.82 0.35 -0.15 0.00 0.00 -1.55 -2.96 119.26 115.78 2qrm h ALA 302 Ca 0.07 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2qrm h ALA 302 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2qrm h ALA 302 CO 0.01 0.01 0.08 1.15 0.00 0.00 0.00 179.25 180.50 2qrm h THR 303 N 0.26 1.02 -0.55 0.00 2.02 -1.27 -2.65 112.91 111.74 2qrm h THR 303 Ca 0.08 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 2qrm h THR 303 Cb 0.28 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 2qrm h THR 303 CO 0.00 0.03 0.30 -0.07 0.37 0.00 0.00 175.52 176.15 2qrm h LEU 304 N 0.18 0.67 -0.79 2.58 3.38 -1.22 -0.06 115.31 120.05 2qrm h LEU 304 Ca 0.06 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2qrm h LEU 304 Cb -0.00 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2qrm h LEU 304 CO -0.03 0.55 0.28 1.56 0.09 0.00 0.00 178.44 180.89 2qrm h GLN 305 N 0.76 1.18 -0.21 1.13 4.20 -1.37 -1.11 115.11 119.69 2qrm h GLN 305 Ca 0.20 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2qrm h GLN 305 Cb 0.03 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 2qrm h GLN 305 CO -0.03 0.97 0.07 0.22 -0.67 0.00 0.00 178.83 179.40 2qrm h ASP 306 N 1.14 0.30 -0.37 1.46 -0.00 -0.98 -0.97 116.42 117.01 2qrm h ASP 306 Ca 0.26 -0.19 0.04 0.00 -0.00 0.00 0.00 57.03 57.14 2qrm h ASP 306 Cb 0.25 -0.08 -0.04 0.00 -0.00 0.00 0.00 39.33 39.46 2qrm h ASP 306 CO -0.02 0.41 0.14 0.40 -0.00 0.00 0.00 179.24 180.17 2qrm h ILE 307 N 0.18 0.90 -0.38 2.25 2.04 -0.87 -1.61 117.51 120.02 2qrm h ILE 307 Ca 0.07 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 2qrm h ILE 307 Cb 0.21 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2qrm h ILE 307 CO -0.00 0.05 -0.09 0.40 0.00 0.00 0.00 178.15 178.51 2qrm h ILE 308 N 0.30 1.28 -0.14 -0.67 2.04 -1.12 -1.33 117.51 117.86 2qrm h ILE 308 Ca 0.17 -1.17 0.03 0.00 1.00 0.00 0.00 64.86 64.89 2qrm h ILE 308 Cb 0.14 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2qrm h ILE 308 CO -0.17 0.39 -0.05 -0.09 0.00 0.00 0.00 178.15 178.23 2qrm h ARG 309 N 0.54 -0.02 -0.38 2.37 2.43 -1.06 -0.32 114.38 117.94 2qrm h ARG 309 Ca 0.10 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2qrm h ARG 309 Cb 0.61 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 2qrm h ARG 309 CO 0.04 -0.01 0.08 -0.09 -1.51 0.00 0.00 179.97 178.47 2qrm h ARG 310 N -0.02 0.57 -0.44 0.20 2.43 -1.20 -1.64 114.38 114.28 2qrm h ARG 310 Ca 0.07 -0.10 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 2qrm h ARG 310 Cb 0.13 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2qrm h ARG 310 CO -0.16 0.53 -0.26 0.35 -1.51 0.00 0.00 179.97 178.92 2qrm h PHE 311 N 0.55 1.10 0.00 2.20 3.57 -0.80 -3.16 116.94 120.41 2qrm h PHE 311 Ca 0.13 -0.29 -0.09 0.00 3.53 0.00 0.00 57.97 61.25 2qrm h PHE 311 Cb 0.24 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2qrm h PHE 311 CO 0.01 1.11 -0.43 0.87 -2.23 0.00 0.00 178.31 177.63 2qrm h LYS 312 N 0.78 0.00 -1.32 1.11 1.57 -0.66 -3.09 116.57 114.96 2qrm h LYS 312 Ca 0.09 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.54 2qrm h LYS 312 Cb 0.85 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.00 2qrm h LYS 312 CO 0.07 0.43 0.43 0.43 -0.57 0.00 0.00 179.45 180.25 2qrm n SER 313 N -3.66 5.60 0.02 0.86 7.64 -0.65 -4.96 113.62 118.47 2qrm n SER 313 Ca -0.01 -3.05 -0.02 0.00 1.01 0.00 0.00 58.87 56.80 2qrm n SER 313 Cb 0.52 -0.93 -0.01 0.00 -1.01 0.00 0.00 64.21 62.78 2qrm n SER 313 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2qrm h SER 314 N 1.22 -0.12 0.00 6.43 0.02 -1.64 -3.49 113.55 115.97 2qrm h SER 314 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2qrm h SER 314 Cb 1.24 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2qrm h SER 314 CO 0.77 0.27 0.00 0.41 -1.14 0.00 0.00 176.83 177.14 2qrm n THR 324 N -4.32 0.00 -3.22 -2.27 -1.04 -1.26 -5.07 114.28 97.09 2qrm n THR 324 Ca -0.02 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.53 2qrm n THR 324 Cb 0.05 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.53 2qrm n THR 324 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2qrm s ASN 325 N 0.00 6.47 0.00 8.00 3.04 -1.26 -4.90 114.94 126.29 2qrm s ASN 325 Ca 0.00 -2.10 0.30 0.00 0.04 0.00 0.00 52.86 51.10 2qrm s ASN 325 Cb 0.00 -2.26 1.77 0.00 -1.54 0.00 0.00 41.25 39.22 2qrm s ASN 325 CO 0.00 -0.83 2.13 0.49 -3.04 0.00 0.00 177.10 175.85 2qrm n PHE 326 N 5.15 0.00 0.09 0.43 3.72 -1.26 -3.13 117.46 122.46 2qrm n PHE 326 Ca 0.03 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.47 2qrm n PHE 326 Cb 0.44 -0.04 0.47 0.00 -0.94 0.00 0.00 39.48 39.41 2qrm n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2qrm h ASP 327 N 0.00 0.31 0.24 4.37 5.19 -1.98 -2.28 116.42 122.26 2qrm h ASP 327 Ca 0.00 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2qrm h ASP 327 Cb 0.04 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.47 2qrm h ASP 327 CO 0.00 0.27 -0.17 0.00 -3.12 0.00 0.00 179.24 176.23 2qrm n ALA 328 N -2.49 2.90 -0.06 3.45 0.00 -1.18 -4.42 120.51 118.70 2qrm n ALA 328 Ca 0.01 -0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.01 2qrm n ALA 328 Cb 0.11 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 2qrm n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2qrm h PHE 329 N 1.12 -0.63 0.00 0.00 3.04 -1.59 -0.86 116.94 118.01 2qrm h PHE 329 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 2qrm h PHE 329 Cb 0.45 0.32 0.00 0.00 2.56 0.00 0.00 35.95 39.27 2qrm h PHE 329 CO 0.00 -0.32 0.00 -1.35 -2.02 0.00 0.00 178.31 174.62 2qrm h PRO 330 N -0.24 0.00 0.00 6.41 0.11 -1.79 0.23 132.00 136.73 2qrm h PRO 330 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2qrm h PRO 330 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2qrm h PRO 330 CO -0.40 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 176.95 2qrm h ASP 331 N 0.00 0.00 0.00 -2.05 3.32 -1.44 -3.35 116.42 112.90 2qrm h ASP 331 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qrm h ASP 331 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2qrm h ASP 331 CO 0.00 0.00 -0.18 0.29 -1.72 0.00 0.00 179.24 177.63 2qrm n LYS 332 N -2.96 5.77 -4.00 3.56 4.76 -0.67 -4.56 118.16 120.06 2qrm n LYS 332 Ca 0.04 -0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.30 2qrm n LYS 332 Cb 0.49 -0.65 -0.16 0.00 -1.84 0.00 0.00 35.03 32.86 2qrm n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2qrm s VAL 333 N -1.30 0.30 -0.09 -0.18 1.01 -0.02 -1.01 120.40 119.11 2qrm s VAL 333 Ca 0.01 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.04 2qrm s VAL 333 Cb 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 36.03 2qrm s VAL 333 CO 0.11 0.17 -0.21 0.00 0.00 0.00 0.00 175.10 175.17 2qrm s ALA 334 N 1.01 1.96 -0.23 5.51 0.00 -0.31 -4.49 121.76 125.21 2qrm s ALA 334 Ca -0.10 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 2qrm s ALA 334 Cb -0.14 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.23 2qrm s ALA 334 CO -0.01 0.24 -0.05 0.42 0.00 0.00 0.00 175.76 176.36 2qrm s ILE 335 N 0.43 3.21 -0.25 0.00 1.01 -0.24 -0.00 121.20 125.35 2qrm s ILE 335 Ca -0.18 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 2qrm s ILE 335 Cb -0.17 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 2qrm s ILE 335 CO 0.08 0.36 0.13 -1.58 0.00 0.00 0.00 174.94 173.92 2qrm s GLN 336 N 1.43 3.87 -0.40 2.79 2.00 0.35 -1.61 119.66 128.09 2qrm s GLN 336 Ca 0.04 -0.37 -0.19 0.00 -2.00 0.00 0.00 55.36 52.84 2qrm s GLN 336 Cb -0.15 -3.47 0.01 0.00 0.80 0.00 0.00 33.01 30.21 2qrm s GLN 336 CO -0.04 -0.08 0.55 -0.51 -0.50 0.00 0.00 175.29 174.71 2qrm s LEU 337 N 1.41 4.50 -0.85 3.68 1.43 -0.05 -1.47 118.68 127.34 2qrm s LEU 337 Ca 0.06 -0.26 -0.25 0.00 -1.03 0.00 0.00 54.13 52.65 2qrm s LEU 337 Cb -0.15 -2.61 0.05 0.00 0.03 0.00 0.00 46.19 43.51 2qrm s LEU 337 CO 0.06 -0.62 1.31 0.21 0.23 0.00 0.00 176.35 177.55 2qrm s ASN 338 N 1.86 6.32 0.75 2.29 2.47 -0.86 -1.93 114.94 125.84 2qrm s ASN 338 Ca 0.19 -0.96 0.00 0.00 0.42 0.00 0.00 52.86 52.51 2qrm s ASN 338 Cb -0.15 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 2qrm s ASN 338 CO 0.16 -1.64 0.00 -0.67 -3.72 0.00 0.00 177.10 171.22 2qrm n ASP 339 N 8.91 -3.67 -0.20 -4.21 2.03 -0.51 -4.15 116.55 114.75 2qrm n ASP 339 Ca 0.15 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.60 2qrm n ASP 339 Cb 0.49 0.00 0.59 0.00 -0.72 0.00 0.00 41.12 41.48 2qrm n ASP 339 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2qrm n THR 340 N -0.96 0.00 -0.36 5.18 -2.24 -1.26 -4.33 114.28 110.32 2qrm n THR 340 Ca 0.00 -0.10 0.03 0.00 -2.27 0.00 0.00 64.05 61.71 2qrm n THR 340 Cb 0.00 0.06 0.18 0.00 -2.10 0.00 0.00 70.33 68.48 2qrm n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2qrm h HIS 341 N 0.96 1.14 -0.68 4.78 3.86 -1.96 0.95 115.15 124.20 2qrm h HIS 341 Ca 0.00 0.03 -0.27 0.00 -1.16 0.00 0.00 60.37 58.97 2qrm h HIS 341 Cb 0.37 -0.37 -0.16 0.00 1.06 0.00 0.00 27.41 28.31 2qrm h HIS 341 CO 0.00 0.55 0.35 -0.35 0.86 0.00 0.00 177.93 179.33 2qrm n PRO 342 N -4.56 2.72 0.23 2.45 -0.04 -1.26 -4.64 135.00 129.90 2qrm n PRO 342 Ca 0.16 -2.44 0.16 0.00 -0.04 0.00 0.00 63.50 61.34 2qrm n PRO 342 Cb 0.23 -2.00 0.83 0.00 -0.04 0.00 0.00 33.50 32.52 2qrm n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2qrm h SER 343 N 1.61 0.00 0.19 3.54 4.64 -1.06 -1.89 113.55 120.59 2qrm h SER 343 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2qrm h SER 343 Cb 2.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.31 2qrm h SER 343 CO 0.72 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.86 2qrm n LEU 344 N -3.92 0.03 -0.06 5.97 4.77 -1.26 -1.89 117.00 120.64 2qrm n LEU 344 Ca 0.00 0.51 0.11 0.00 -0.03 0.00 0.00 56.01 56.60 2qrm n LEU 344 Cb 0.24 -0.51 0.50 0.00 -2.33 0.00 0.00 43.42 41.32 2qrm n LEU 344 CO 0.29 -0.42 1.18 0.00 -1.33 0.00 0.00 177.39 177.10 2qrm h ALA 345 N 2.18 1.99 0.68 -1.18 0.00 -1.70 -0.54 119.26 120.70 2qrm h ALA 345 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2qrm h ALA 345 Cb 0.09 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2qrm h ALA 345 CO 0.00 -0.11 -0.33 0.82 0.00 0.00 0.00 179.25 179.63 2qrm h ILE 346 N 0.40 0.03 0.00 0.00 2.04 -1.63 -0.36 117.51 118.00 2qrm h ILE 346 Ca 0.26 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 2qrm h ILE 346 Cb 0.48 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2qrm h ILE 346 CO -0.07 0.01 -0.21 1.55 0.00 0.00 0.00 178.15 179.42 2qrm h PRO 347 N -1.23 0.00 -0.41 2.37 0.13 -1.75 -2.53 132.00 128.58 2qrm h PRO 347 Ca -0.09 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.91 2qrm h PRO 347 Cb 0.71 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 2qrm h PRO 347 CO 0.15 0.21 -0.23 1.49 -0.23 0.00 0.00 178.00 179.39 2qrm h GLU 348 N 0.00 0.89 -0.55 0.86 4.57 -1.07 0.54 114.58 119.82 2qrm h GLU 348 Ca -0.00 -0.40 -0.03 0.00 -1.18 0.00 0.00 59.36 57.75 2qrm h GLU 348 Cb 0.59 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 2qrm h GLU 348 CO 0.03 1.05 0.24 1.25 -1.18 0.00 0.00 179.01 180.40 2qrm h LEU 349 N 0.71 0.75 -0.51 1.64 5.85 -0.95 -1.42 115.31 121.37 2qrm h LEU 349 Ca 0.09 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2qrm h LEU 349 Cb 0.80 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2qrm h LEU 349 CO 0.07 0.69 0.31 0.24 -0.34 0.00 0.00 178.44 179.41 2qrm h MET 350 N 0.75 0.61 -0.05 1.25 2.86 -1.35 -1.02 114.93 117.98 2qrm h MET 350 Ca 0.19 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.82 2qrm h MET 350 Cb 0.16 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 2qrm h MET 350 CO -0.02 0.41 -0.16 -0.09 1.06 0.00 0.00 176.91 178.10 2qrm h ARG 351 N 0.63 -0.23 -0.35 1.72 2.43 -0.59 0.60 114.38 118.58 2qrm h ARG 351 Ca 0.20 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2qrm h ARG 351 Cb -0.00 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2qrm h ARG 351 CO -0.08 -0.16 0.21 0.28 -1.51 0.00 0.00 179.97 178.71 2qrm h VAL 352 N -0.24 1.12 -0.44 0.20 2.07 -1.09 0.10 116.25 117.97 2qrm h VAL 352 Ca 0.07 -0.28 -0.14 0.00 0.82 0.00 0.00 66.70 67.17 2qrm h VAL 352 Cb 0.34 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2qrm h VAL 352 CO -0.20 0.12 -0.28 -0.07 0.02 0.00 0.00 177.57 177.16 2qrm h LEU 353 N 0.45 1.01 0.00 2.57 3.38 -0.96 -0.58 115.31 121.18 2qrm h LEU 353 Ca 0.12 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2qrm h LEU 353 Cb 0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2qrm h LEU 353 CO -0.02 1.21 -0.17 0.58 0.09 0.00 0.00 178.44 180.12 2qrm h VAL 354 N 0.82 0.75 0.01 1.22 2.07 -0.84 -0.03 116.25 120.24 2qrm h VAL 354 Ca 0.09 -1.61 -0.24 0.00 0.82 0.00 0.00 66.70 65.76 2qrm h VAL 354 Cb 0.87 1.47 0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2qrm h VAL 354 CO 0.08 0.25 -0.99 0.44 0.02 0.00 0.00 177.57 177.37 2qrm h ASP 355 N -1.00 0.62 0.00 0.57 3.45 -0.92 -2.98 116.42 116.16 2qrm h ASP 355 Ca -0.03 -0.51 -0.33 0.00 0.43 0.00 0.00 57.03 56.59 2qrm h ASP 355 Cb 0.55 -0.19 -0.06 0.00 -0.56 0.00 0.00 39.33 39.07 2qrm h ASP 355 CO -0.02 1.31 -2.24 0.18 -1.57 0.00 0.00 179.24 176.91 2qrm n LEU 356 N -3.76 2.68 0.01 1.55 4.77 -0.83 -4.55 117.00 116.87 2qrm n LEU 356 Ca -0.08 -0.11 0.11 0.00 -0.03 0.00 0.00 56.01 55.91 2qrm n LEU 356 Cb 0.86 -0.65 0.08 0.00 -2.33 0.00 0.00 43.42 41.38 2qrm n LEU 356 CO 0.53 0.82 0.18 -0.62 -1.33 0.00 0.00 177.39 176.97 2qrm n GLU 357 N -3.09 0.08 -1.98 3.23 -0.58 -0.28 -4.99 120.64 113.03 2qrm n GLU 357 Ca -0.38 -0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.25 2qrm n GLU 357 Cb 0.93 -1.53 -0.02 0.00 -0.57 0.00 0.00 31.44 30.25 2qrm n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2qrm n ARG 358 N -1.63 -0.85 -2.54 3.49 5.12 -0.83 -4.96 116.66 114.46 2qrm n ARG 358 Ca 0.04 0.63 -0.33 0.00 -1.93 0.00 0.00 57.85 56.25 2qrm n ARG 358 Cb 0.36 -4.70 -0.04 0.00 -1.16 0.00 0.00 32.46 26.92 2qrm n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2qrm s LEU 359 N -2.99 3.81 0.58 0.55 1.02 -0.09 -4.99 118.68 116.57 2qrm s LEU 359 Ca 0.00 1.84 -0.18 0.00 0.02 0.00 0.00 54.13 55.81 2qrm s LEU 359 Cb 0.00 -4.55 -0.04 0.00 0.02 0.00 0.00 46.19 41.62 2qrm s LEU 359 CO 0.00 -0.72 1.11 1.51 0.02 0.00 0.00 176.35 178.28 2qrm s ASP 360 N -2.20 5.59 0.15 2.29 -4.77 -1.26 -4.41 116.67 112.07 2qrm s ASP 360 Ca 0.65 2.08 -0.23 0.00 -3.30 0.00 0.00 52.55 51.75 2qrm s ASP 360 Cb -0.14 -2.57 0.03 0.00 -1.09 0.00 0.00 42.92 39.15 2qrm s ASP 360 CO 0.21 -1.30 1.61 -0.25 0.70 0.00 0.00 175.17 176.14 2qrm h TRP 361 N 0.84 -0.81 -0.88 2.11 2.91 -1.97 -1.48 115.95 116.67 2qrm h TRP 361 Ca -0.49 0.05 0.06 0.00 1.13 0.00 0.00 58.89 59.64 2qrm h TRP 361 Cb 1.25 0.40 -0.06 0.00 -0.51 0.00 0.00 29.16 30.24 2qrm h TRP 361 CO 0.53 -0.37 0.55 -0.44 -1.03 0.00 0.00 178.44 177.68 2qrm h ASP 362 N -0.29 0.87 -0.16 2.65 3.45 -1.99 0.50 116.42 121.45 2qrm h ASP 362 Ca 0.14 0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.59 2qrm h ASP 362 Cb 0.52 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 39.11 2qrm h ASP 362 CO -0.44 0.55 -0.03 0.50 -1.57 0.00 0.00 179.24 178.25 2qrm h LYS 363 N 1.00 0.30 -0.80 3.56 1.63 -1.86 -2.23 116.57 118.16 2qrm h LYS 363 Ca 0.38 -0.11 0.06 0.00 -0.85 0.00 0.00 60.65 60.13 2qrm h LYS 363 Cb 0.17 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.72 2qrm h LYS 363 CO -0.17 0.56 0.49 0.00 -3.45 0.00 0.00 179.45 176.88 2qrm h ALA 364 N 0.72 1.10 -0.53 5.00 0.00 -0.78 -2.01 119.26 122.75 2qrm h ALA 364 Ca 0.04 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2qrm h ALA 364 Cb 0.45 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2qrm h ALA 364 CO 0.01 0.23 0.12 2.35 0.00 0.00 0.00 179.25 181.96 2qrm h TRP 365 N 0.90 0.90 -0.47 0.00 2.91 -0.86 -0.72 115.95 118.62 2qrm h TRP 365 Ca 0.35 -0.11 0.03 0.00 1.13 0.00 0.00 58.89 60.28 2qrm h TRP 365 Cb 0.16 -0.25 -0.03 0.00 -0.51 0.00 0.00 29.16 28.52 2qrm h TRP 365 CO -0.04 0.79 0.27 1.49 -1.03 0.00 0.00 178.44 179.92 2qrm h GLU 366 N 0.75 0.52 -0.30 2.65 4.81 -1.07 -0.81 114.58 121.13 2qrm h GLU 366 Ca 0.17 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2qrm h GLU 366 Cb 0.35 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2qrm h GLU 366 CO 0.00 0.34 0.13 0.28 -0.73 0.00 0.00 179.01 179.03 2qrm h VAL 367 N 0.53 1.17 -0.06 0.32 2.07 -1.16 -2.49 116.25 116.64 2qrm h VAL 367 Ca 0.19 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.22 2qrm h VAL 367 Cb 0.04 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2qrm h VAL 367 CO -0.10 0.18 -0.03 0.74 0.02 0.00 0.00 177.57 178.38 2qrm h THR 368 N 0.34 0.90 -0.39 2.57 2.02 -0.83 -1.50 112.91 116.01 2qrm h THR 368 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 2qrm h THR 368 Cb 0.16 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 2qrm h THR 368 CO -0.01 0.00 0.26 0.58 0.37 0.00 0.00 175.52 176.72 2qrm h VAL 369 N -0.03 1.11 0.00 3.16 2.07 -1.14 -1.57 116.25 119.84 2qrm h VAL 369 Ca 0.03 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2qrm h VAL 369 Cb 0.08 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2qrm h VAL 369 CO -0.08 0.10 0.00 0.11 0.02 0.00 0.00 177.57 177.73 2qrm h LYS 370 N 0.53 0.00 0.12 1.57 1.57 -1.26 -2.20 116.57 116.90 2qrm h LYS 370 Ca 0.14 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.57 2qrm h LYS 370 Cb -0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2qrm h LYS 370 CO -0.03 0.00 -1.88 1.15 -0.57 0.00 0.00 179.45 178.12 2qrm h THR 371 N 0.00 0.75 -2.90 -0.16 2.02 -0.68 -3.47 112.91 108.47 2qrm h THR 371 Ca 0.00 -2.46 -0.63 0.00 0.77 0.00 0.00 66.41 64.10 2qrm h THR 371 Cb 0.39 2.56 -0.06 0.00 -1.74 0.00 0.00 68.15 69.30 2qrm h THR 371 CO 0.00 0.84 -0.33 0.00 0.37 0.00 0.00 175.52 176.39 2qrm s ALA 373 N -1.19 0.24 -0.08 0.00 0.00 -0.63 -1.78 121.76 118.33 2qrm s ALA 373 Ca 0.24 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.58 2qrm s ALA 373 Cb -0.14 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.12 2qrm s ALA 373 CO 0.13 -0.13 -0.15 -0.47 0.00 0.00 0.00 175.76 175.14 2qrm s TYR 374 N -1.51 1.71 -0.22 0.00 6.04 -0.27 -0.87 117.35 122.22 2qrm s TYR 374 Ca -0.14 -0.67 -0.06 0.00 0.04 0.00 0.00 57.07 56.25 2qrm s TYR 374 Cb -0.09 -1.22 -0.02 0.00 -1.04 0.00 0.00 41.96 39.58 2qrm s TYR 374 CO -0.01 -0.32 0.03 0.99 -1.54 0.00 0.00 175.55 174.70 2qrm s THR 375 N 0.64 4.07 -0.01 4.34 2.01 -0.81 -1.60 115.64 124.28 2qrm s THR 375 Ca -0.15 -0.26 -0.17 0.00 0.31 0.00 0.00 61.69 61.42 2qrm s THR 375 Cb -0.16 -2.87 -0.06 0.00 0.01 0.00 0.00 72.50 69.42 2qrm s THR 375 CO 0.04 0.39 0.47 0.21 -0.69 0.00 0.00 174.62 175.04 2qrm s ASN 376 N 1.32 6.85 0.00 3.53 3.84 -0.40 -1.42 114.94 128.66 2qrm s ASN 376 Ca 0.04 1.01 0.03 0.00 0.21 0.00 0.00 52.86 54.15 2qrm s ASN 376 Cb -0.15 -2.29 0.01 0.00 -0.55 0.00 0.00 41.25 38.28 2qrm s ASN 376 CO 0.02 0.23 0.50 1.41 -2.79 0.00 0.00 177.10 176.47 2qrm n HIS 377 N 2.23 0.00 -3.54 0.43 8.25 -1.26 -4.14 115.22 117.19 2qrm n HIS 377 Ca -0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.24 2qrm n HIS 377 Cb 0.52 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 2qrm n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2qrm s THR 378 N -0.39 0.00 -1.27 1.59 -1.32 -1.26 -4.59 115.64 108.40 2qrm s THR 378 Ca 0.03 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.63 2qrm s THR 378 Cb 0.02 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.05 2qrm s THR 378 CO 0.04 0.00 0.77 1.33 -2.21 0.00 0.00 174.62 174.56 2qrm n VAL 379 N 0.32 0.00 -1.83 5.08 0.24 -1.26 -5.00 118.33 115.89 2qrm n VAL 379 Ca -0.11 -0.42 -0.42 0.00 -2.04 0.00 0.00 64.34 61.35 2qrm n VAL 379 Cb 0.60 1.19 -0.03 0.00 -1.47 0.00 0.00 33.84 34.12 2qrm n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2qrm s LEU 380 N -1.50 4.38 0.35 1.34 1.43 -1.26 -4.89 118.68 118.53 2qrm s LEU 380 Ca 0.12 2.49 0.05 0.00 -1.03 0.00 0.00 54.13 55.75 2qrm s LEU 380 Cb 0.10 -3.54 0.71 0.00 0.03 0.00 0.00 46.19 43.49 2qrm s LEU 380 CO 0.25 -0.99 1.93 1.55 0.23 0.00 0.00 176.35 179.33 2qrm h PRO 381 N 9.92 0.78 0.00 1.29 0.13 -1.98 -1.83 132.00 140.31 2qrm h PRO 381 Ca -0.45 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2qrm h PRO 381 Cb 1.21 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2qrm h PRO 381 CO 0.95 0.52 0.00 -0.85 -0.23 0.00 0.00 178.00 178.38 2qrm n GLU 382 N -4.49 0.10 0.02 0.86 0.00 -1.26 -2.68 120.64 113.19 2qrm n GLU 382 Ca 0.12 0.28 0.12 0.00 0.00 0.00 0.00 57.16 57.68 2qrm n GLU 382 Cb 0.26 -1.68 0.15 0.00 0.00 0.00 0.00 31.44 30.17 2qrm n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qrm n ALA 383 N -1.64 3.50 -2.37 -1.84 0.00 -0.69 -0.58 120.51 116.89 2qrm n ALA 383 Ca 0.04 -0.36 -0.41 0.00 0.00 0.00 0.00 53.44 52.70 2qrm n ALA 383 Cb 0.24 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 2qrm n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qrm s LEU 384 N -3.45 4.45 -0.30 0.00 1.43 -1.09 -4.36 118.68 115.35 2qrm s LEU 384 Ca 0.08 1.84 -0.29 0.00 -1.03 0.00 0.00 54.13 54.73 2qrm s LEU 384 Cb 0.16 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.81 2qrm s LEU 384 CO 0.74 -0.20 1.06 -1.61 0.23 0.00 0.00 176.35 176.58 2qrm s GLU 385 N 0.35 4.10 -0.38 1.70 2.02 -1.26 -4.81 118.70 120.42 2qrm s GLU 385 Ca 0.50 1.11 0.01 0.00 0.02 0.00 0.00 54.97 56.61 2qrm s GLU 385 Cb -0.24 -3.72 0.12 0.00 0.10 0.00 0.00 34.13 30.39 2qrm s GLU 385 CO 0.30 -0.85 0.18 1.03 0.02 0.00 0.00 175.26 175.95 2qrm s ARG 386 N 3.55 1.00 -0.04 1.61 0.52 -1.26 -2.09 118.95 122.23 2qrm s ARG 386 Ca 0.45 -1.59 -0.28 0.00 -0.52 0.00 0.00 55.73 53.79 2qrm s ARG 386 Cb -0.13 -2.11 -0.03 0.00 0.52 0.00 0.00 34.95 33.21 2qrm s ARG 386 CO 0.14 -1.10 0.90 -1.58 0.02 0.00 0.00 175.30 173.68 2qrm s TRP 387 N 0.90 3.60 0.23 -0.53 0.52 -0.78 -4.72 118.94 118.17 2qrm s TRP 387 Ca 0.15 1.54 -0.31 0.00 0.02 0.00 0.00 56.10 57.49 2qrm s TRP 387 Cb -0.22 -3.04 -0.13 0.00 -1.15 0.00 0.00 33.47 28.93 2qrm s TRP 387 CO -0.09 -0.03 1.49 -2.30 0.02 0.00 0.00 176.95 176.04 2qrm n PRO 388 N 4.11 2.22 -0.20 4.98 -0.02 -1.26 -0.43 135.00 144.39 2qrm n PRO 388 Ca 0.04 0.79 0.05 0.00 -2.02 0.00 0.00 63.50 62.36 2qrm n PRO 388 Cb 0.51 -2.50 0.32 0.00 -0.02 0.00 0.00 33.50 31.80 2qrm n PRO 388 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2qrm h VAL 389 N 3.24 1.06 -0.09 -1.45 2.07 -1.43 -2.44 116.25 117.22 2qrm h VAL 389 Ca -0.45 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 2qrm h VAL 389 Cb 1.26 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2qrm h VAL 389 CO 0.80 0.15 -0.11 1.12 0.02 0.00 0.00 177.57 179.55 2qrm h HIS 390 N 0.83 0.14 -0.08 1.57 2.07 -1.90 0.11 115.15 117.89 2qrm h HIS 390 Ca 0.31 -0.01 -0.02 0.00 -2.85 0.00 0.00 60.37 57.80 2qrm h HIS 390 Cb 0.16 -0.04 -0.00 0.00 2.57 0.00 0.00 27.41 30.10 2qrm h HIS 390 CO -0.00 0.25 -0.02 -0.07 -3.07 0.00 0.00 177.93 175.02 2qrm h LEU 391 N 0.13 0.16 -0.94 6.12 3.38 -1.82 -2.93 115.31 119.41 2qrm h LEU 391 Ca 0.03 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 2qrm h LEU 391 Cb 0.28 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2qrm h LEU 391 CO 0.02 0.48 -0.13 -0.07 0.09 0.00 0.00 178.44 178.83 2qrm h LEU 392 N -0.16 0.62 -0.83 1.67 3.38 -1.36 -0.82 115.31 117.81 2qrm h LEU 392 Ca 0.02 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.86 2qrm h LEU 392 Cb 0.41 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2qrm h LEU 392 CO 0.01 0.78 0.52 -0.08 0.09 0.00 0.00 178.44 179.76 2qrm h GLU 393 N 0.58 0.97 0.15 1.13 4.81 -0.82 0.19 114.58 121.59 2qrm h GLU 393 Ca 0.10 -0.06 -0.27 0.00 -0.13 0.00 0.00 59.36 59.01 2qrm h GLU 393 Cb 0.55 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.72 2qrm h GLU 393 CO 0.03 0.64 -1.29 1.15 -0.73 0.00 0.00 179.01 178.81 2qrm h THR 394 N 1.00 1.18 0.22 0.32 2.02 -1.33 -3.31 112.91 113.02 2qrm h THR 394 Ca 0.34 -2.49 -0.33 0.00 0.77 0.00 0.00 66.41 64.70 2qrm h THR 394 Cb 0.06 2.90 0.03 0.00 -1.74 0.00 0.00 68.15 69.39 2qrm h THR 394 CO -0.13 0.74 -1.54 0.25 0.37 0.00 0.00 175.52 175.20 2qrm h LEU 395 N -0.22 0.74 -5.97 2.58 5.85 -1.13 -3.38 115.31 113.78 2qrm h LEU 395 Ca -0.26 -0.93 -0.52 0.00 0.84 0.00 0.00 57.88 57.02 2qrm h LEU 395 Cb 1.82 -0.24 -0.40 0.00 0.37 0.00 0.00 40.66 42.21 2qrm h LEU 395 CO 0.12 1.72 -1.12 0.18 -0.34 0.00 0.00 178.44 179.01 2qrm n LEU 396 N -3.71 0.84 -0.17 2.25 4.77 0.66 -0.48 117.00 121.16 2qrm n LEU 396 Ca -0.20 -4.93 0.06 0.00 -0.03 0.00 0.00 56.01 50.91 2qrm n LEU 396 Cb 1.07 0.59 0.36 0.00 -2.33 0.00 0.00 43.42 43.11 2qrm n LEU 396 CO 0.56 2.20 1.21 1.55 -1.33 0.00 0.00 177.39 181.59 2qrm h PRO 397 N 3.41 0.71 -0.25 3.23 0.13 -1.62 -1.88 132.00 135.74 2qrm h PRO 397 Ca 0.09 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 65.00 2qrm h PRO 397 Cb 0.91 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 2qrm h PRO 397 CO 0.51 0.47 -0.57 -0.09 -0.23 0.00 0.00 178.00 178.10 2qrm h ARG 398 N 0.74 0.79 -0.75 0.86 9.65 -1.91 -2.95 114.38 120.80 2qrm h ARG 398 Ca 0.30 -0.51 -0.05 0.00 -1.10 0.00 0.00 59.98 58.63 2qrm h ARG 398 Cb 0.25 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.86 2qrm h ARG 398 CO -0.10 1.14 0.29 0.45 2.80 0.00 0.00 179.97 184.55 2qrm h HIS 399 N 0.60 1.14 -0.50 2.20 3.86 -1.72 -1.89 115.15 118.84 2qrm h HIS 399 Ca 0.01 -0.09 0.02 0.00 -1.16 0.00 0.00 60.37 59.15 2qrm h HIS 399 Cb 1.16 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 29.26 2qrm h HIS 399 CO 0.07 0.87 0.31 1.25 0.86 0.00 0.00 177.93 181.28 2qrm h LEU 400 N 1.09 0.51 -0.72 2.43 6.46 -1.39 0.36 115.31 124.06 2qrm h LEU 400 Ca 0.25 -0.00 0.01 0.00 -0.12 0.00 0.00 57.88 58.02 2qrm h LEU 400 Cb 0.22 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 2qrm h LEU 400 CO -0.02 0.37 0.47 1.56 -0.62 0.00 0.00 178.44 180.20 2qrm h GLN 401 N 0.62 0.93 -0.60 1.25 4.20 -1.31 -0.72 115.11 119.49 2qrm h GLN 401 Ca 0.19 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 2qrm h GLN 401 Cb -0.02 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 2qrm h GLN 401 CO -0.07 0.62 0.08 0.82 -0.67 0.00 0.00 178.83 179.61 2qrm h ILE 402 N 0.96 1.26 -0.60 2.54 2.04 -0.98 -2.20 117.51 120.53 2qrm h ILE 402 Ca 0.27 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 2qrm h ILE 402 Cb -0.10 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2qrm h ILE 402 CO -0.06 0.37 0.30 0.40 0.00 0.00 0.00 178.15 179.16 2qrm h ILE 403 N 0.90 1.21 -0.60 -0.67 2.04 -0.48 -0.51 117.51 119.40 2qrm h ILE 403 Ca 0.18 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.51 2qrm h ILE 403 Cb 0.44 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2qrm h ILE 403 CO 0.01 0.23 0.36 1.88 0.00 0.00 0.00 178.15 180.63 2qrm h TYR 404 N 0.82 0.66 -0.53 1.37 0.05 -1.00 -0.91 116.97 117.43 2qrm h TYR 404 Ca 0.21 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.91 2qrm h TYR 404 Cb 0.09 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 2qrm h TYR 404 CO -0.00 0.36 -0.07 1.49 -1.05 0.00 0.00 178.16 178.89 2qrm h GLU 405 N 0.69 0.97 -0.53 4.88 4.57 -1.02 -1.22 114.58 122.92 2qrm h GLU 405 Ca 0.25 -0.33 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2qrm h GLU 405 Cb 0.06 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 2qrm h GLU 405 CO -0.12 1.00 0.32 0.82 -1.18 0.00 0.00 179.01 179.85 2qrm h ILE 406 N 0.88 1.16 -0.37 2.32 2.04 -0.87 -2.35 117.51 120.31 2qrm h ILE 406 Ca 0.15 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2qrm h ILE 406 Cb 0.61 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2qrm h ILE 406 CO 0.04 0.16 0.18 -1.13 0.00 0.00 0.00 178.15 177.41 2qrm h ASN 407 N 0.71 0.48 -0.18 1.72 -1.24 -0.84 -0.52 115.58 115.71 2qrm h ASN 407 Ca 0.19 -0.12 0.01 0.00 0.71 0.00 0.00 56.30 57.09 2qrm h ASN 407 Cb -0.01 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.90 2qrm h ASN 407 CO -0.04 0.46 0.11 -0.61 -1.29 0.00 0.00 177.43 176.06 2qrm h GLN 408 N 0.47 0.21 -0.33 6.67 4.15 -1.16 0.84 115.11 125.95 2qrm h GLN 408 Ca 0.13 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.44 2qrm h GLN 408 Cb 0.11 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 2qrm h GLN 408 CO -0.02 0.14 -0.20 0.00 -1.93 0.00 0.00 178.83 176.83 2qrm h ARG 409 N 0.22 0.62 -0.19 1.69 3.08 -1.34 -1.65 114.38 116.81 2qrm h ARG 409 Ca 0.07 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 59.83 2qrm h ARG 409 Cb -0.01 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 2qrm h ARG 409 CO -0.03 0.78 -0.13 0.35 -1.07 0.00 0.00 179.97 179.87 2qrm h PHE 410 N 0.55 0.49 -0.02 3.04 3.57 -0.86 -2.91 116.94 120.80 2qrm h PHE 410 Ca 0.09 -0.13 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 2qrm h PHE 410 Cb 0.64 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 2qrm h PHE 410 CO 0.03 0.75 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.48 2qrm h LEU 411 N 0.09 0.03 -1.18 0.59 3.38 -0.78 -1.73 115.31 115.72 2qrm h LEU 411 Ca 0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2qrm h LEU 411 Cb 0.64 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2qrm h LEU 411 CO 0.03 0.34 0.20 0.78 0.09 0.00 0.00 178.44 179.88 2qrm h ASN 412 N 0.03 0.70 -0.46 -0.43 -0.26 -1.28 -0.80 115.58 113.08 2qrm h ASN 412 Ca 0.00 -0.09 -0.10 0.00 -0.56 0.00 0.00 56.30 55.55 2qrm h ASN 412 Cb 0.55 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.62 2qrm h ASN 412 CO 0.04 0.65 -0.12 0.03 -1.06 0.00 0.00 177.43 176.96 2qrm h ARG 413 N 0.76 0.89 -0.37 0.81 3.08 -1.14 -2.44 114.38 115.97 2qrm h ARG 413 Ca 0.18 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 2qrm h ARG 413 Cb 0.18 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2qrm h ARG 413 CO -0.01 0.99 0.11 0.28 -1.07 0.00 0.00 179.97 180.27 2qrm h VAL 414 N 0.72 1.21 -0.44 2.04 2.07 -1.11 -2.03 116.25 118.71 2qrm h VAL 414 Ca 0.11 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2qrm h VAL 414 Cb 0.67 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2qrm h VAL 414 CO 0.05 0.24 0.19 0.00 0.02 0.00 0.00 177.57 178.06 2qrm h ALA 415 N 0.96 1.51 -0.08 1.67 0.00 -1.15 0.92 119.26 123.08 2qrm h ALA 415 Ca 0.12 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2qrm h ALA 415 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2qrm h ALA 415 CO -0.00 0.39 -0.67 0.00 0.00 0.00 0.00 179.25 178.96 2qrm h ALA 416 N 1.59 0.70 0.05 0.00 0.00 -1.26 -2.96 119.26 117.38 2qrm h ALA 416 Ca 0.15 -0.58 -0.24 0.00 0.00 0.00 0.00 54.91 54.24 2qrm h ALA 416 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2qrm h ALA 416 CO -0.02 0.75 -1.16 0.00 0.00 0.00 0.00 179.25 178.82 2qrm h ALA 417 N 1.04 0.29 -2.08 0.00 0.00 -0.75 -3.39 119.26 114.36 2qrm h ALA 417 Ca -0.02 -0.95 -0.58 0.00 0.00 0.00 0.00 54.91 53.37 2qrm h ALA 417 Cb 1.22 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.57 2qrm h ALA 417 CO 0.11 1.17 -0.91 1.19 0.00 0.00 0.00 179.25 180.81 2qrm n PHE 418 N -3.40 1.15 -1.85 0.00 3.72 0.26 -5.10 117.46 112.25 2qrm n PHE 418 Ca -0.05 -3.79 -0.42 0.00 -0.05 0.00 0.00 57.45 53.15 2qrm n PHE 418 Cb 0.98 -0.42 -0.02 0.00 -0.94 0.00 0.00 39.48 39.08 2qrm n PHE 418 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2qrm s PRO 419 N -1.66 4.17 0.00 -1.08 0.02 -1.12 -2.33 135.00 133.00 2qrm s PRO 419 Ca 0.37 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.88 2qrm s PRO 419 Cb 0.16 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.61 2qrm s PRO 419 CO -0.07 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 2qrm n GLY 420 N 2.62 2.29 3.43 0.52 0.00 -1.26 -4.95 105.19 107.85 2qrm n GLY 420 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2qrm n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qrm n ASP 421 N 0.00 4.81 0.05 1.61 4.64 -0.99 -4.79 116.55 121.88 2qrm n ASP 421 Ca 0.00 -2.92 -0.02 0.00 -1.38 0.00 0.00 54.79 50.48 2qrm n ASP 421 Cb 0.00 -1.72 0.25 0.00 -1.04 0.00 0.00 41.12 38.62 2qrm n ASP 421 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 2qrm h VAL 422 N 5.24 1.25 -0.04 5.18 -1.51 -1.92 -2.85 116.25 121.60 2qrm h VAL 422 Ca 0.46 -1.18 -0.13 0.00 -1.23 0.00 0.00 66.70 64.62 2qrm h VAL 422 Cb 0.83 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 31.33 2qrm h VAL 422 CO 1.51 0.37 -0.57 -0.78 -1.23 0.00 0.00 177.57 176.87 2qrm h ASP 423 N 0.34 0.13 -0.79 4.19 3.58 -2.00 -2.78 116.42 119.08 2qrm h ASP 423 Ca 0.05 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 2qrm h ASP 423 Cb 0.61 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.58 2qrm h ASP 423 CO 0.04 0.67 0.40 -0.09 -2.88 0.00 0.00 179.24 177.38 2qrm h ARG 424 N 0.09 1.13 -0.55 0.28 2.43 -1.91 -1.53 114.38 114.31 2qrm h ARG 424 Ca -0.00 -0.15 0.04 0.00 -0.81 0.00 0.00 59.98 59.05 2qrm h ARG 424 Cb 1.03 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 30.33 2qrm h ARG 424 CO 0.08 0.86 0.30 -0.07 -1.51 0.00 0.00 179.97 179.63 2qrm h LEU 425 N 1.11 0.45 -0.58 3.80 3.38 -1.39 0.03 115.31 122.11 2qrm h LEU 425 Ca 0.27 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.11 2qrm h LEU 425 Cb 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2qrm h LEU 425 CO -0.04 0.31 -0.55 0.08 0.09 0.00 0.00 178.44 178.33 2qrm h ARG 426 N 0.58 0.46 -0.47 1.13 -0.00 -1.34 -2.60 114.38 112.14 2qrm h ARG 426 Ca 0.24 -0.29 -0.10 0.00 -0.00 0.00 0.00 59.98 59.83 2qrm h ARG 426 Cb 0.11 0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 30.10 2qrm h ARG 426 CO -0.15 0.89 -0.09 0.00 -0.00 0.00 0.00 179.97 180.62 2qrm h ARG 427 N 0.36 0.84 0.00 0.08 3.08 -0.86 -3.24 114.38 114.64 2qrm h ARG 427 Ca 0.01 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2qrm h ARG 427 Cb 1.07 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.05 2qrm h ARG 427 CO 0.10 0.90 -0.63 -1.33 -1.07 0.00 0.00 179.97 177.94 2qrm n MET 428 N -4.16 0.12 -1.72 0.04 2.81 -0.04 -4.95 117.12 109.21 2qrm n MET 428 Ca 0.02 0.02 -0.41 0.00 -1.81 0.00 0.00 57.70 55.52 2qrm n MET 428 Cb 0.36 -1.56 0.01 0.00 -0.71 0.00 0.00 33.22 31.32 2qrm n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2qrm n SER 429 N -1.73 2.82 0.21 7.83 2.88 -0.98 -4.89 113.62 119.75 2qrm n SER 429 Ca 0.04 1.12 0.08 0.00 -1.33 0.00 0.00 58.87 58.79 2qrm n SER 429 Cb 0.38 -1.53 0.40 0.00 -0.75 0.00 0.00 64.21 62.70 2qrm n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2qrm h LEU 430 N 2.21 0.00 -8.99 2.46 3.38 -1.91 -3.42 115.31 109.04 2qrm h LEU 430 Ca -0.49 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.86 2qrm h LEU 430 Cb 1.28 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.89 2qrm h LEU 430 CO 0.61 0.27 -0.36 -0.69 0.09 0.00 0.00 178.44 178.36 2qrm s VAL 431 N -3.60 5.25 -0.24 1.22 1.01 -1.26 -0.31 120.40 122.48 2qrm s VAL 431 Ca 0.01 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.28 2qrm s VAL 431 Cb 0.10 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 2qrm s VAL 431 CO 0.66 0.23 0.20 -1.61 0.00 0.00 0.00 175.10 174.58 2qrm s GLU 432 N 1.67 4.08 0.48 2.72 2.02 0.69 -4.98 118.70 125.38 2qrm s GLU 432 Ca 0.12 -0.19 -0.11 0.00 0.02 0.00 0.00 54.97 54.81 2qrm s GLU 432 Cb -0.15 -3.55 -0.06 0.00 0.10 0.00 0.00 34.13 30.47 2qrm s GLU 432 CO 0.09 0.03 0.86 -1.21 0.02 0.00 0.00 175.26 175.04 2qrm s GLU 433 N 1.15 3.74 0.00 1.61 8.01 -1.26 -1.83 118.70 130.12 2qrm s GLU 433 Ca 0.10 0.56 0.00 0.00 0.01 0.00 0.00 54.97 55.63 2qrm s GLU 433 Cb -0.14 -2.29 0.00 0.00 -4.31 0.00 0.00 34.13 27.40 2qrm s GLU 433 CO 0.05 -0.20 0.00 0.41 0.01 0.00 0.00 175.26 175.53 2qrm n GLY 434 N -1.78 -0.54 0.34 -1.39 0.00 -1.26 -4.94 105.19 95.63 2qrm n GLY 434 Ca 0.03 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 2qrm n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrm h ALA 435 N 0.00 -0.44 -3.27 4.61 0.00 -2.07 -3.38 119.26 114.71 2qrm h ALA 435 Ca 0.00 -0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 2qrm h ALA 435 Cb 0.00 0.61 -0.27 0.00 0.00 0.00 0.00 17.79 18.12 2qrm h ALA 435 CO 0.00 -0.83 -0.77 0.14 0.00 0.00 0.00 179.25 177.79 2qrm s VAL 436 N -5.99 3.02 0.28 0.00 -7.23 -1.26 -5.11 120.40 104.11 2qrm s VAL 436 Ca -0.15 -0.66 -0.29 0.00 -1.81 0.00 0.00 61.98 59.06 2qrm s VAL 436 Cb 0.10 -2.28 -0.10 0.00 0.56 0.00 0.00 36.38 34.66 2qrm s VAL 436 CO 0.65 0.51 1.26 -0.54 -0.31 0.00 0.00 175.10 176.68 2qrm s LYS 437 N 0.52 4.43 0.11 4.82 1.02 -1.26 -4.85 119.74 124.53 2qrm s LYS 437 Ca -0.08 2.07 0.04 0.00 0.02 0.00 0.00 55.97 58.01 2qrm s LYS 437 Cb -0.16 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 2qrm s LYS 437 CO 0.04 -0.12 -0.09 1.03 -0.92 0.00 0.00 175.35 175.29 2qrm s ARG 438 N -1.18 0.88 -0.23 1.68 0.52 -0.76 -1.06 118.95 118.81 2qrm s ARG 438 Ca 0.50 -1.24 -0.09 0.00 -0.52 0.00 0.00 55.73 54.38 2qrm s ARG 438 Cb -0.37 -0.49 -0.04 0.00 0.52 0.00 0.00 34.95 34.56 2qrm s ARG 438 CO 0.46 0.06 0.12 0.42 0.02 0.00 0.00 175.30 176.38 2qrm s ILE 439 N -2.80 5.00 -0.52 1.52 -1.09 0.43 -0.22 121.20 123.51 2qrm s ILE 439 Ca 0.09 0.05 -0.26 0.00 -2.23 0.00 0.00 60.65 58.30 2qrm s ILE 439 Cb -0.01 -3.32 0.03 0.00 -1.58 0.00 0.00 42.46 37.59 2qrm s ILE 439 CO -0.01 0.37 1.04 0.21 -1.23 0.00 0.00 174.94 175.32 2qrm s ASN 440 N 1.01 6.46 0.38 3.58 3.84 0.57 -1.87 114.94 128.91 2qrm s ASN 440 Ca 0.06 0.03 0.18 0.00 0.21 0.00 0.00 52.86 53.34 2qrm s ASN 440 Cb -0.14 -2.49 0.74 0.00 -0.55 0.00 0.00 41.25 38.81 2qrm s ASN 440 CO 0.04 -1.25 1.77 0.24 -2.79 0.00 0.00 177.10 175.10 2qrm h MET 441 N 9.30 0.00 -0.54 0.43 2.86 -1.74 -2.36 114.93 122.88 2qrm h MET 441 Ca -0.25 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.30 2qrm h MET 441 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 2qrm h MET 441 CO 1.10 0.36 -0.02 0.00 1.06 0.00 0.00 176.91 179.42 2qrm h ALA 442 N 1.64 0.73 -0.68 6.32 0.00 -1.91 -1.42 119.26 123.93 2qrm h ALA 442 Ca -0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 2qrm h ALA 442 Cb 0.83 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2qrm h ALA 442 CO 0.05 0.56 0.12 0.45 0.00 0.00 0.00 179.25 180.43 2qrm h HIS 443 N 0.84 1.19 -0.51 0.00 3.86 -1.87 -1.71 115.15 116.95 2qrm h HIS 443 Ca 0.15 -0.16 0.03 0.00 -1.16 0.00 0.00 60.37 59.22 2qrm h HIS 443 Cb 0.56 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.67 2qrm h HIS 443 CO 0.04 0.99 0.30 1.25 0.86 0.00 0.00 177.93 181.37 2qrm h LEU 444 N 1.05 0.48 -0.51 2.43 6.46 -1.25 -2.06 115.31 121.91 2qrm h LEU 444 Ca 0.21 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.93 2qrm h LEU 444 Cb 0.43 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 2qrm h LEU 444 CO 0.01 0.33 0.15 0.00 -0.62 0.00 0.00 178.44 178.32 2qrm h ILE 446 N 0.70 1.16 -0.92 0.00 2.04 -1.19 -2.23 117.51 117.06 2qrm h ILE 446 Ca 0.16 -0.48 0.09 0.00 1.00 0.00 0.00 64.86 65.64 2qrm h ILE 446 Cb 0.28 1.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.48 2qrm h ILE 446 CO -0.00 0.15 0.57 0.00 0.00 0.00 0.00 178.15 178.86 2qrm h ALA 447 N 0.90 1.33 -0.68 1.87 0.00 -1.33 -3.11 119.26 118.23 2qrm h ALA 447 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qrm h ALA 447 Cb 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2qrm h ALA 447 CO -0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 2qrm n GLY 448 N -1.34 2.68 3.30 0.00 0.00 -0.79 -4.94 105.19 104.10 2qrm n GLY 448 Ca 0.15 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 2qrm n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qrm s SER 449 N -0.94 2.75 0.10 1.61 0.01 -0.85 -3.99 113.70 112.38 2qrm s SER 449 Ca 0.51 -0.61 0.26 0.00 1.31 0.00 0.00 55.95 57.41 2qrm s SER 449 Cb 0.31 -0.21 0.65 0.00 0.21 0.00 0.00 66.02 66.98 2qrm s SER 449 CO 0.28 0.16 1.56 0.00 0.41 0.00 0.00 173.24 175.64 2qrm n HIS 450 N 1.51 0.44 -3.79 2.43 1.44 -0.73 -4.84 115.22 111.68 2qrm n HIS 450 Ca -0.18 0.13 -0.13 0.00 -2.01 0.00 0.00 57.72 55.53 2qrm n HIS 450 Cb 0.53 -0.62 -0.13 0.00 0.12 0.00 0.00 29.99 29.89 2qrm n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2qrm s ALA 451 N -3.09 -0.34 -0.10 1.59 0.00 -1.26 -4.57 121.76 114.00 2qrm s ALA 451 Ca 0.10 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2qrm s ALA 451 Cb 0.15 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.96 2qrm s ALA 451 CO 0.65 -0.11 -0.09 0.08 0.00 0.00 0.00 175.76 176.30 2qrm s VAL 452 N 0.52 1.05 0.06 0.00 1.01 0.48 -1.11 120.40 122.42 2qrm s VAL 452 Ca -0.04 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.66 2qrm s VAL 452 Cb -0.05 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 2qrm s VAL 452 CO -0.02 0.36 -0.19 0.54 0.00 0.00 0.00 175.10 175.79 2qrm s ASN 453 N 1.35 2.22 0.69 3.32 4.22 -0.62 -0.41 114.94 125.70 2qrm s ASN 453 Ca -0.02 -0.56 0.01 0.00 -2.14 0.00 0.00 52.86 50.15 2qrm s ASN 453 Cb -0.14 -0.15 0.12 0.00 1.28 0.00 0.00 41.25 42.37 2qrm s ASN 453 CO -0.04 0.08 0.95 -0.83 -2.04 0.00 0.00 177.10 175.21 2qrm s GLY 454 N -1.44 1.76 0.00 0.45 0.00 -1.05 -1.27 107.32 105.76 2qrm s GLY 454 Ca 0.05 -1.81 0.07 0.00 0.00 0.00 0.00 44.72 43.02 2qrm s GLY 454 CO 0.02 -1.27 0.91 3.33 0.00 0.00 0.00 173.10 176.09 2qrm n VAL 455 N -2.71 0.44 -3.49 1.40 0.24 -1.26 -2.09 118.33 110.86 2qrm n VAL 455 Ca 0.15 -0.72 -0.14 0.00 -2.04 0.00 0.00 64.34 61.59 2qrm n VAL 455 Cb 0.61 0.86 -0.04 0.00 -1.47 0.00 0.00 33.84 33.80 2qrm n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qrm s ALA 456 N -0.75 -1.72 0.17 2.33 0.00 -1.26 -0.84 121.76 119.69 2qrm s ALA 456 Ca 0.11 1.00 -0.16 0.00 0.00 0.00 0.00 51.96 52.90 2qrm s ALA 456 Cb 0.06 0.32 0.11 0.00 0.00 0.00 0.00 23.12 23.62 2qrm s ALA 456 CO 0.09 -0.55 1.70 -0.09 0.00 0.00 0.00 175.76 176.91 2qrm h ARG 457 N 2.48 0.11 -0.88 0.00 2.43 -1.90 0.29 114.38 116.91 2qrm h ARG 457 Ca -0.28 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 2qrm h ARG 457 Cb 1.22 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 2qrm h ARG 457 CO 0.37 0.07 0.47 0.97 -1.51 0.00 0.00 179.97 180.35 2qrm h ILE 458 N 0.11 1.26 -0.08 1.20 2.10 -1.91 -1.50 117.51 118.69 2qrm h ILE 458 Ca 0.20 -0.65 -0.01 0.00 1.08 0.00 0.00 64.86 65.48 2qrm h ILE 458 Cb 0.28 0.07 -0.00 0.00 -1.09 0.00 0.00 36.82 36.08 2qrm h ILE 458 CO -0.33 0.29 0.01 -0.74 -1.08 0.00 0.00 178.15 176.30 2qrm h HIS 459 N 1.24 0.15 -0.67 2.19 2.76 -1.54 -1.03 115.15 118.25 2qrm h HIS 459 Ca 0.31 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.47 2qrm h HIS 459 Cb 0.04 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 2qrm h HIS 459 CO 0.01 0.38 0.45 0.77 -1.30 0.00 0.00 177.93 178.23 2qrm h SER 460 N -0.12 0.76 -0.45 3.26 0.02 -0.80 -1.08 113.55 115.13 2qrm h SER 460 Ca 0.02 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 2qrm h SER 460 Cb 0.31 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2qrm h SER 460 CO 0.00 0.54 -0.18 -0.33 -1.14 0.00 0.00 176.83 175.73 2qrm h GLU 461 N 0.89 0.91 -0.78 3.45 4.39 -1.16 -2.98 114.58 119.30 2qrm h GLU 461 Ca 0.25 -0.38 0.01 0.00 0.34 0.00 0.00 59.36 59.58 2qrm h GLU 461 Cb -0.08 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 2qrm h GLU 461 CO -0.06 1.04 0.52 0.82 -1.16 0.00 0.00 179.01 180.17 2qrm h ILE 462 N 0.75 1.20 -0.76 3.13 2.04 -0.49 -1.46 117.51 121.92 2qrm h ILE 462 Ca 0.10 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 2qrm h ILE 462 Cb 0.75 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 2qrm h ILE 462 CO 0.06 0.19 0.44 -0.07 0.00 0.00 0.00 178.15 178.77 2qrm h LEU 463 N 1.05 0.92 -0.33 1.44 3.38 -1.11 0.42 115.31 121.08 2qrm h LEU 463 Ca 0.29 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 2qrm h LEU 463 Cb -0.11 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 2qrm h LEU 463 CO -0.06 0.73 -0.63 0.11 0.09 0.00 0.00 178.44 178.68 2qrm h LYS 464 N 1.04 0.00 0.00 1.13 1.57 -1.32 -1.27 116.57 117.72 2qrm h LYS 464 Ca 0.27 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.81 2qrm h LYS 464 Cb -0.01 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 2qrm h LYS 464 CO -0.05 0.63 -1.51 0.87 -0.57 0.00 0.00 179.45 178.82 2qrm h LYS 465 N 0.00 0.00 0.00 3.15 1.57 -1.08 -3.33 116.57 116.88 2qrm h LYS 465 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2qrm h LYS 465 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2qrm h LYS 465 CO 0.08 0.47 0.00 0.25 -0.57 0.00 0.00 179.45 179.68 2qrm n THR 466 N -3.03 0.00 0.24 -0.16 -2.24 0.12 -4.74 114.28 104.47 2qrm n THR 466 Ca -0.12 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.72 2qrm n THR 466 Cb 0.96 0.00 0.56 0.00 -2.10 0.00 0.00 70.33 69.76 2qrm n THR 466 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 2qrm h ILE 467 N 0.00 1.06 -0.12 2.28 3.07 -1.68 -2.33 117.51 119.79 2qrm h ILE 467 Ca 0.00 -0.40 -0.01 0.00 1.55 0.00 0.00 64.86 66.00 2qrm h ILE 467 Cb 0.00 1.22 -0.01 0.00 -0.27 0.00 0.00 36.82 37.76 2qrm h ILE 467 CO 0.00 0.11 -0.03 0.49 -1.05 0.00 0.00 178.15 177.68 2qrm n PHE 468 N -4.37 0.44 -0.21 0.16 0.99 -0.49 -4.80 117.46 109.19 2qrm n PHE 468 Ca -0.03 -1.01 0.01 0.00 -0.00 0.00 0.00 57.45 56.43 2qrm n PHE 468 Cb 0.19 -0.24 0.11 0.00 -1.00 0.00 0.00 39.48 38.53 2qrm n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 2qrm h LYS 469 N 0.83 0.12 -0.85 -1.08 3.64 -1.37 -0.70 116.57 117.15 2qrm h LYS 469 Ca 0.01 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2qrm h LYS 469 Cb 1.22 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 2qrm h LYS 469 CO 0.11 0.08 0.55 -0.44 -2.27 0.00 0.00 179.45 177.48 2qrm h ASP 470 N 0.12 0.93 -0.38 4.20 3.32 -1.87 -1.36 116.42 121.39 2qrm h ASP 470 Ca 0.33 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.21 2qrm h ASP 470 Cb 0.54 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2qrm h ASP 470 CO -0.53 0.65 -0.36 -0.26 -1.72 0.00 0.00 179.24 177.02 2qrm h PHE 471 N 1.09 1.11 -0.89 4.55 0.04 -1.73 -2.49 116.94 118.62 2qrm h PHE 471 Ca 0.33 -0.32 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 2qrm h PHE 471 Cb -0.04 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 37.83 2qrm h PHE 471 CO -0.02 1.15 0.47 -0.92 -0.60 0.00 0.00 178.31 178.39 2qrm h TYR 472 N 0.77 1.24 -0.46 -0.55 3.20 -0.85 0.10 116.97 120.41 2qrm h TYR 472 Ca 0.07 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 2qrm h TYR 472 Cb 0.95 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 2qrm h TYR 472 CO 0.06 0.87 0.02 0.93 -1.64 0.00 0.00 178.16 178.40 2qrm h GLU 473 N 1.25 0.75 0.01 1.82 5.08 -1.11 -1.75 114.58 120.62 2qrm h GLU 473 Ca 0.31 -0.19 -0.18 0.00 -1.00 0.00 0.00 59.36 58.31 2qrm h GLU 473 Cb 0.05 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.22 2qrm h GLU 473 CO -0.05 0.75 -0.70 1.25 -1.00 0.00 0.00 179.01 179.26 2qrm h LEU 474 N 0.71 0.60 -6.09 1.33 5.85 -1.12 -3.41 115.31 113.17 2qrm h LEU 474 Ca 0.14 -0.77 -0.57 0.00 0.84 0.00 0.00 57.88 57.52 2qrm h LEU 474 Cb 0.40 -0.18 -0.39 0.00 0.37 0.00 0.00 40.66 40.86 2qrm h LEU 474 CO 0.01 1.29 -1.01 -0.62 -0.34 0.00 0.00 178.44 177.77 2qrm n GLU 475 N -4.15 0.93 0.00 1.25 1.02 -0.00 -4.99 120.64 114.70 2qrm n GLU 475 Ca -0.11 -3.44 0.07 0.00 -0.02 0.00 0.00 57.16 53.66 2qrm n GLU 475 Cb 0.72 -1.43 0.48 0.00 -0.02 0.00 0.00 31.44 31.19 2qrm n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2qrm h PRO 476 N 4.24 0.43 0.00 3.49 0.13 -1.53 -2.44 132.00 136.32 2qrm h PRO 476 Ca 0.11 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2qrm h PRO 476 Cb 0.85 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 2qrm h PRO 476 CO 0.51 0.28 -0.01 1.12 -0.23 0.00 0.00 178.00 179.68 2qrm h HIS 477 N 0.44 0.00 0.00 1.56 2.07 -1.94 -2.75 115.15 114.53 2qrm h HIS 477 Ca 0.18 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.58 2qrm h HIS 477 Cb 0.15 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.11 2qrm h HIS 477 CO -0.00 0.01 -0.55 -0.22 -3.07 0.00 0.00 177.93 174.10 2qrm h LYS 478 N 0.00 0.00 -5.60 5.12 3.64 -1.68 -3.46 116.57 114.60 2qrm h LYS 478 Ca -0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 2qrm h LYS 478 Cb 0.14 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.86 2qrm h LYS 478 CO 0.00 0.55 -0.05 -0.06 -2.27 0.00 0.00 179.45 177.62 2qrm s PHE 479 N -3.44 3.41 0.22 1.91 0.08 -1.04 -0.39 117.98 118.73 2qrm s PHE 479 Ca 0.00 0.81 0.01 0.00 0.12 0.00 0.00 56.93 57.88 2qrm s PHE 479 Cb 0.11 -2.65 -0.05 0.00 -0.57 0.00 0.00 43.02 39.86 2qrm s PHE 479 CO 0.74 -0.04 0.06 -0.65 -0.10 0.00 0.00 175.22 175.22 2qrm s GLN 480 N 1.42 1.27 -0.02 0.44 -0.21 0.45 -4.96 119.66 118.05 2qrm s GLN 480 Ca 0.25 -1.66 0.06 0.00 0.02 0.00 0.00 55.36 54.03 2qrm s GLN 480 Cb -0.15 -0.23 -0.02 0.00 1.00 0.00 0.00 33.01 33.60 2qrm s GLN 480 CO 0.10 -0.23 -0.21 1.21 -2.12 0.00 0.00 175.29 174.04 2qrm s ASN 481 N -3.25 3.51 -0.34 5.90 3.04 -1.26 -2.54 114.94 120.00 2qrm s ASN 481 Ca 0.32 -0.37 -0.01 0.00 0.04 0.00 0.00 52.86 52.84 2qrm s ASN 481 Cb 0.07 -0.56 0.13 0.00 -1.54 0.00 0.00 41.25 39.35 2qrm s ASN 481 CO 0.09 0.32 0.19 -0.54 -3.04 0.00 0.00 177.10 174.12 2qrm s LYS 482 N -0.78 0.49 0.26 0.43 -0.14 -0.89 -4.95 119.74 114.16 2qrm s LYS 482 Ca 0.11 -1.15 -0.31 0.00 -1.36 0.00 0.00 55.97 53.27 2qrm s LYS 482 Cb -0.10 -1.32 -0.11 0.00 -1.68 0.00 0.00 37.83 34.62 2qrm s LYS 482 CO 0.00 -1.16 1.62 0.99 -0.76 0.00 0.00 175.35 176.05 2qrm s THR 483 N 1.31 2.10 1.02 2.17 2.01 -1.26 -4.25 115.64 118.75 2qrm s THR 483 Ca 0.16 0.08 -0.12 0.00 0.31 0.00 0.00 61.69 62.12 2qrm s THR 483 Cb -0.21 -3.05 0.18 0.00 0.01 0.00 0.00 72.50 69.42 2qrm s THR 483 CO -0.09 0.01 0.94 0.59 -0.69 0.00 0.00 174.62 175.38 2qrm n ASN 484 N 2.78 -0.81 -3.38 3.53 5.03 -0.02 -4.65 115.26 117.75 2qrm n ASN 484 Ca 0.11 0.19 -0.13 0.00 0.87 0.00 0.00 54.58 55.61 2qrm n ASN 484 Cb 0.37 -1.34 -0.04 0.00 -1.02 0.00 0.00 39.78 37.75 2qrm n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2qrm s GLY 485 N -2.43 1.22 0.09 7.41 0.00 -1.26 -4.82 107.32 107.53 2qrm s GLY 485 Ca 0.66 -1.35 0.04 0.00 0.00 0.00 0.00 44.72 44.07 2qrm s GLY 485 CO 0.62 -0.89 -0.12 -0.26 0.00 0.00 0.00 173.10 172.45 2qrm s ILE 486 N -3.19 1.02 -0.06 0.90 -4.36 -0.06 -4.51 121.20 110.93 2qrm s ILE 486 Ca 0.28 -1.49 -0.30 0.00 -0.26 0.00 0.00 60.65 58.88 2qrm s ILE 486 Cb -0.01 -1.22 -0.02 0.00 1.25 0.00 0.00 42.46 42.46 2qrm s ILE 486 CO 0.17 -0.41 1.02 0.28 0.24 0.00 0.00 174.94 176.23 2qrm s THR 487 N -1.92 4.76 -1.10 8.37 -1.32 -1.26 -1.07 115.64 122.09 2qrm s THR 487 Ca 0.02 2.00 0.21 0.00 -1.21 0.00 0.00 61.69 62.71 2qrm s THR 487 Cb -0.06 -4.29 0.21 0.00 -1.51 0.00 0.00 72.50 66.86 2qrm s THR 487 CO 0.01 0.06 1.66 -0.81 -2.21 0.00 0.00 174.62 173.33 2qrm n PRO 488 N 4.61 0.07 0.19 7.08 -0.04 -1.26 -1.76 135.00 143.89 2qrm n PRO 488 Ca 0.08 0.14 -0.08 0.00 -0.04 0.00 0.00 63.50 63.59 2qrm n PRO 488 Cb 0.49 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 2qrm n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qrm h ARG 489 N 0.00 -0.51 -0.55 0.54 -0.00 -1.91 -2.41 114.38 109.54 2qrm h ARG 489 Ca 0.00 0.03 -0.05 0.00 -0.50 0.00 0.00 59.98 59.47 2qrm h ARG 489 Cb 0.32 0.12 -0.02 0.00 0.00 0.00 0.00 29.97 30.38 2qrm h ARG 489 CO 0.00 -0.34 0.16 -0.09 0.00 0.00 0.00 179.97 179.70 2qrm h ARG 490 N -0.89 0.86 -0.48 0.04 2.43 -1.97 -0.50 114.38 113.86 2qrm h ARG 490 Ca -0.05 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 2qrm h ARG 490 Cb 0.41 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2qrm h ARG 490 CO 0.09 0.79 0.00 0.91 -1.51 0.00 0.00 179.97 180.25 2qrm n TRP 491 N -4.44 0.64 0.10 2.20 7.02 -0.72 -2.92 117.44 119.32 2qrm n TRP 491 Ca 0.02 -0.32 0.00 0.00 -1.02 0.00 0.00 57.50 56.18 2qrm n TRP 491 Cb 0.21 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 2qrm n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2qrm n LEU 492 N 1.01 -0.13 -0.09 -0.99 7.94 -0.93 -4.78 117.00 119.03 2qrm n LEU 492 Ca 0.18 0.36 -0.10 0.00 -1.11 0.00 0.00 56.01 55.33 2qrm n LEU 492 Cb 0.45 0.30 -0.02 0.00 0.53 0.00 0.00 43.42 44.67 2qrm n LEU 492 CO 0.12 -0.71 0.91 0.58 -1.11 0.00 0.00 177.39 177.18 2qrm h VAL 493 N 0.00 1.16 0.23 1.96 2.07 -1.22 0.12 116.25 120.57 2qrm h VAL 493 Ca 0.00 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2qrm h VAL 493 Cb 0.00 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2qrm h VAL 493 CO 0.00 0.17 -0.11 0.25 0.02 0.00 0.00 177.57 177.90 2qrm h LEU 494 N 0.34 -0.26 0.00 2.57 6.46 -1.22 -3.23 115.31 119.98 2qrm h LEU 494 Ca 0.10 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 2qrm h LEU 494 Cb 0.14 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 2qrm h LEU 494 CO -0.01 0.19 -0.47 0.00 -0.62 0.00 0.00 178.44 177.54 2qrm n ASN 496 N -2.64 0.54 0.04 0.00 2.85 0.40 -4.84 115.26 111.60 2qrm n ASN 496 Ca 0.03 -2.86 0.03 0.00 -0.11 0.00 0.00 54.58 51.67 2qrm n ASN 496 Cb 0.50 -0.63 0.40 0.00 1.24 0.00 0.00 39.78 41.30 2qrm n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2qrm h PRO 497 N 3.50 0.45 -0.41 1.20 0.13 -1.66 -2.09 132.00 133.12 2qrm h PRO 497 Ca 0.09 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 65.19 2qrm h PRO 497 Cb 0.92 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.93 2qrm h PRO 497 CO 0.48 0.39 0.21 0.78 -0.23 0.00 0.00 178.00 179.63 2qrm h GLY 498 N 0.62 0.56 0.87 1.56 0.00 -1.91 0.12 103.07 104.89 2qrm h GLY 498 Ca 0.11 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 2qrm h GLY 498 CO -0.01 0.11 -0.13 -2.00 0.00 0.00 0.00 176.54 174.51 2qrm h LEU 499 N 0.42 0.56 -0.92 3.11 5.85 -1.86 -2.57 115.31 119.91 2qrm h LEU 499 Ca 0.18 -0.41 0.13 0.00 0.84 0.00 0.00 57.88 58.61 2qrm h LEU 499 Cb 0.08 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 40.87 2qrm h LEU 499 CO -0.12 0.85 0.54 0.00 -0.34 0.00 0.00 178.44 179.37 2qrm h ALA 500 N 0.73 1.37 -0.08 1.25 0.00 -1.15 -1.97 119.26 119.42 2qrm h ALA 500 Ca 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2qrm h ALA 500 Cb 0.64 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2qrm h ALA 500 CO 0.04 0.09 -0.08 1.49 0.00 0.00 0.00 179.25 180.79 2qrm h GLU 501 N 0.83 0.19 -0.04 0.00 4.57 -0.89 -0.86 114.58 118.38 2qrm h GLU 501 Ca 0.47 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 58.51 2qrm h GLU 501 Cb 0.53 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2qrm h GLU 501 CO -0.29 0.62 -0.17 -0.84 -1.18 0.00 0.00 179.01 177.15 2qrm h ILE 502 N -0.22 1.14 -0.12 2.32 3.07 -1.29 -0.49 117.51 121.92 2qrm h ILE 502 Ca 0.01 -0.67 -0.06 0.00 1.55 0.00 0.00 64.86 65.70 2qrm h ILE 502 Cb 0.58 1.30 -0.00 0.00 -0.27 0.00 0.00 36.82 38.43 2qrm h ILE 502 CO 0.02 0.20 -0.15 0.40 -1.05 0.00 0.00 178.15 177.56 2qrm h ILE 503 N 0.06 1.37 -0.42 0.16 2.04 -1.30 -3.24 117.51 116.17 2qrm h ILE 503 Ca 0.01 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.51 2qrm h ILE 503 Cb 0.34 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 2qrm h ILE 503 CO 0.02 0.39 0.26 0.00 0.00 0.00 0.00 178.15 178.82 2qrm h ALA 504 N 0.56 1.66 -0.60 1.87 0.00 -0.63 -1.71 119.26 120.42 2qrm h ALA 504 Ca 0.01 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.95 2qrm h ALA 504 Cb 0.70 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2qrm h ALA 504 CO 0.04 0.30 0.40 0.93 0.00 0.00 0.00 179.25 180.92 2qrm h GLU 505 N 0.58 0.50 0.05 0.00 5.08 -1.13 -0.21 114.58 119.44 2qrm h GLU 505 Ca 0.15 -0.03 -0.35 0.00 -1.00 0.00 0.00 59.36 58.13 2qrm h GLU 505 Cb -0.03 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 2qrm h GLU 505 CO -0.03 0.33 -1.97 0.54 -1.00 0.00 0.00 179.01 176.88 2qrm n ARG 506 N -4.48 0.66 -0.03 2.33 5.12 -0.83 -4.70 116.66 114.73 2qrm n ARG 506 Ca 0.09 0.33 0.02 0.00 -1.93 0.00 0.00 57.85 56.36 2qrm n ARG 506 Cb 0.28 -1.65 0.03 0.00 -1.16 0.00 0.00 32.46 29.97 2qrm n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 2qrm n ILE 507 N -3.84 0.64 -3.26 0.55 -5.35 -0.70 -5.12 119.36 102.27 2qrm n ILE 507 Ca -0.38 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.28 2qrm n ILE 507 Cb 0.91 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 39.51 2qrm n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qrm n GLY 508 N -0.07 -1.95 0.00 3.28 0.00 -0.09 -4.65 105.19 101.71 2qrm n GLY 508 Ca 0.03 -1.53 0.09 0.00 0.00 0.00 0.00 46.02 44.61 2qrm n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qrm n GLU 509 N 0.00 0.98 0.20 1.61 1.02 -1.26 -4.17 120.64 119.02 2qrm n GLU 509 Ca 0.00 -0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.30 2qrm n GLU 509 Cb 0.00 -1.36 0.80 0.00 -0.02 0.00 0.00 31.44 30.86 2qrm n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2qrm h GLU 510 N 0.01 0.00 0.00 3.49 5.08 -1.96 -2.67 114.58 118.53 2qrm h GLU 510 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2qrm h GLU 510 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2qrm h GLU 510 CO 0.00 0.00 -0.10 0.10 -1.00 0.00 0.00 179.01 178.01 2qrm h TYR 511 N 0.00 0.00 0.00 4.33 -0.00 -1.81 -2.61 116.97 116.88 2qrm h TYR 511 Ca 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.80 2qrm h TYR 511 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.18 2qrm h TYR 511 CO 0.00 0.10 -0.08 0.82 -0.00 0.00 0.00 178.16 179.00 2qrm h ILE 512 N 0.00 1.04 -0.14 -0.90 2.04 -1.83 -1.89 117.51 115.83 2qrm h ILE 512 Ca -0.00 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2qrm h ILE 512 Cb 0.32 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2qrm h ILE 512 CO 0.01 0.08 0.00 -1.54 0.00 0.00 0.00 178.15 176.70 2qrm n SER 513 N -4.42 2.57 -2.90 1.72 3.41 -1.08 -4.65 113.62 108.27 2qrm n SER 513 Ca -0.03 -2.30 -0.12 0.00 -0.26 0.00 0.00 58.87 56.16 2qrm n SER 513 Cb 0.16 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2qrm n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2qrm n ASP 514 N -0.35 -2.15 0.29 4.04 4.64 -0.77 -5.03 116.55 117.22 2qrm n ASP 514 Ca 0.09 -3.02 0.19 0.00 -1.38 0.00 0.00 54.79 50.67 2qrm n ASP 514 Cb 0.45 1.09 0.90 0.00 -1.04 0.00 0.00 41.12 42.51 2qrm n ASP 514 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 2qrm h LEU 515 N 4.33 0.00 -2.58 -2.67 5.85 -1.70 -1.96 115.31 116.58 2qrm h LEU 515 Ca -0.03 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2qrm h LEU 515 Cb 1.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 2qrm h LEU 515 CO 0.30 0.00 0.11 0.44 -0.34 0.00 0.00 178.44 178.95 2qrm h ASP 516 N 0.00 0.00 0.37 1.25 3.32 -1.85 -1.97 116.42 117.54 2qrm h ASP 516 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qrm h ASP 516 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2qrm h ASP 516 CO 0.00 0.00 0.00 1.56 -1.72 0.00 0.00 179.24 179.08 2qrm h GLN 517 N 0.00 0.00 0.00 3.56 4.20 -1.68 -2.50 115.11 118.69 2qrm h GLN 517 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2qrm h GLN 517 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2qrm h GLN 517 CO -0.00 0.00 0.00 -0.07 -0.67 0.00 0.00 178.83 178.09 2qrm h LEU 518 N 0.00 0.00 -2.25 1.46 3.38 -1.60 -1.57 115.31 114.74 2qrm h LEU 518 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2qrm h LEU 518 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2qrm h LEU 518 CO 0.00 0.00 0.16 0.03 0.09 0.00 0.00 178.44 178.72 2qrm h ARG 519 N 0.00 0.00 0.00 1.13 3.08 -0.97 -1.15 114.38 116.48 2qrm h ARG 519 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qrm h ARG 519 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 2qrm h ARG 519 CO 0.00 0.00 -0.00 0.87 -1.07 0.00 0.00 179.97 179.77 2qrm h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.53 -2.22 116.57 114.42 2qrm h LYS 520 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2qrm h LYS 520 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2qrm h LYS 520 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 2qrm n LEU 521 N -3.29 0.51 0.25 2.94 4.77 -0.43 -2.91 117.00 118.84 2qrm n LEU 521 Ca -0.03 0.60 0.08 0.00 -0.03 0.00 0.00 56.01 56.63 2qrm n LEU 521 Cb 0.08 -0.51 0.63 0.00 -2.33 0.00 0.00 43.42 41.30 2qrm n LEU 521 CO 0.22 -0.39 1.07 -0.07 -1.33 0.00 0.00 177.39 176.90 2qrm h LEU 522 N 0.00 0.02 0.00 2.23 4.07 -1.59 -1.25 115.31 118.79 2qrm h LEU 522 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2qrm h LEU 522 Cb 0.42 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.16 2qrm h LEU 522 CO 0.00 0.01 0.00 -1.54 -1.08 0.00 0.00 178.44 175.83 2qrm n SER 523 N -4.54 0.00 -0.60 -0.43 3.41 -1.14 -2.89 113.62 107.43 2qrm n SER 523 Ca -0.03 -0.67 0.06 0.00 -0.26 0.00 0.00 58.87 57.97 2qrm n SER 523 Cb 0.09 -0.07 0.13 0.00 -0.26 0.00 0.00 64.21 64.10 2qrm n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2qrm n TYR 524 N -1.07 0.34 0.25 7.33 4.01 -0.47 -4.66 117.16 122.88 2qrm n TYR 524 Ca 0.19 -0.37 0.11 0.00 -0.16 0.00 0.00 57.90 57.67 2qrm n TYR 524 Cb 0.13 -0.02 0.67 0.00 -0.31 0.00 0.00 39.34 39.80 2qrm n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2qrm h VAL 525 N 2.09 0.72 -0.41 -0.72 3.04 -1.55 -1.71 116.25 117.71 2qrm h VAL 525 Ca 0.00 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2qrm h VAL 525 Cb 0.66 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 2qrm h VAL 525 CO 0.00 0.14 0.00 0.47 -1.01 0.00 0.00 177.57 177.17 2qrm n ASP 526 N -3.82 3.23 -4.63 3.17 10.43 -1.26 -4.87 116.55 118.80 2qrm n ASP 526 Ca -0.02 -1.93 -0.43 0.00 2.57 0.00 0.00 54.79 54.98 2qrm n ASP 526 Cb 0.24 -0.27 -0.02 0.00 1.84 0.00 0.00 41.12 42.91 2qrm n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2qrm s ASP 527 N -1.14 6.89 0.30 -2.24 3.68 -0.64 -4.93 116.67 118.58 2qrm s ASP 527 Ca 0.33 0.97 0.03 0.00 2.13 0.00 0.00 52.55 56.01 2qrm s ASP 527 Cb 0.18 -2.53 0.48 0.00 -1.45 0.00 0.00 42.92 39.60 2qrm s ASP 527 CO 0.25 -0.90 1.78 -0.08 0.13 0.00 0.00 175.17 176.35 2qrm h GLU 528 N 8.19 0.50 -0.22 4.34 4.57 -1.92 -1.63 114.58 128.42 2qrm h GLU 528 Ca -0.21 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 57.75 2qrm h GLU 528 Cb 1.06 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 2qrm h GLU 528 CO 1.03 0.65 -0.10 0.00 -1.18 0.00 0.00 179.01 179.41 2qrm h ALA 529 N 1.38 0.31 -0.36 2.92 0.00 -1.95 -2.71 119.26 118.84 2qrm h ALA 529 Ca 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2qrm h ALA 529 Cb 0.54 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2qrm h ALA 529 CO 0.03 0.15 0.12 0.35 0.00 0.00 0.00 179.25 179.90 2qrm h PHE 530 N 0.17 0.57 -0.61 0.00 3.04 -1.83 -1.12 116.94 117.16 2qrm h PHE 530 Ca 0.05 -0.05 0.11 0.00 3.98 0.00 0.00 57.97 62.05 2qrm h PHE 530 Cb 0.59 -0.17 -0.08 0.00 2.56 0.00 0.00 35.95 38.85 2qrm h PHE 530 CO 0.06 0.55 0.16 0.82 -2.02 0.00 0.00 178.31 177.88 2qrm h ILE 531 N 0.43 0.68 -0.61 1.41 2.04 -1.35 0.68 117.51 120.79 2qrm h ILE 531 Ca 0.12 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 2qrm h ILE 531 Cb 0.24 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 2qrm h ILE 531 CO -0.01 0.06 0.22 -0.09 0.00 0.00 0.00 178.15 178.33 2qrm h ARG 532 N 0.31 0.93 -0.33 2.37 2.43 -1.20 -2.49 114.38 116.39 2qrm h ARG 532 Ca 0.32 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 2qrm h ARG 532 Cb 0.45 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2qrm h ARG 532 CO -0.37 0.80 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.38 2qrm h ASP 533 N 0.86 0.63 -0.26 -3.80 3.32 -0.40 -0.36 116.42 116.41 2qrm h ASP 533 Ca 0.20 -0.36 0.02 0.00 0.02 0.00 0.00 57.03 56.92 2qrm h ASP 533 Cb 0.24 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 2qrm h ASP 533 CO -0.01 0.84 0.10 0.58 -1.72 0.00 0.00 179.24 179.03 2qrm h VAL 534 N 0.41 0.95 -0.27 -1.35 2.07 -0.87 -0.93 116.25 116.26 2qrm h VAL 534 Ca 0.08 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 2qrm h VAL 534 Cb 0.56 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2qrm h VAL 534 CO 0.03 0.04 -0.20 0.00 0.02 0.00 0.00 177.57 177.46 2qrm h ALA 535 N 1.16 1.16 -0.35 1.67 0.00 -1.38 -2.57 119.26 118.95 2qrm h ALA 535 Ca 0.11 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2qrm h ALA 535 Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2qrm h ALA 535 CO -0.11 0.53 0.04 -0.22 0.00 0.00 0.00 179.25 179.50 2qrm h LYS 536 N 0.44 0.58 -0.57 0.00 3.64 -0.72 -2.18 116.57 117.76 2qrm h LYS 536 Ca 0.07 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2qrm h LYS 536 Cb 0.60 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 2qrm h LYS 536 CO 0.04 0.67 0.35 0.28 -2.27 0.00 0.00 179.45 178.52 2qrm h VAL 537 N 0.41 1.17 -0.45 2.00 2.07 -1.01 -1.01 116.25 119.43 2qrm h VAL 537 Ca 0.10 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2qrm h VAL 537 Cb 0.38 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2qrm h VAL 537 CO 0.01 0.17 0.25 0.50 0.02 0.00 0.00 177.57 178.52 2qrm h LYS 538 N 0.77 0.63 -0.69 1.57 1.63 -1.44 -1.36 116.57 117.68 2qrm h LYS 538 Ca 0.21 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 2qrm h LYS 538 Cb -0.03 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.44 2qrm h LYS 538 CO -0.04 0.50 0.40 0.37 -3.45 0.00 0.00 179.45 177.22 2qrm h GLN 539 N 0.59 0.95 -0.79 1.90 5.75 -1.07 -0.38 115.11 122.07 2qrm h GLN 539 Ca 0.16 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 2qrm h GLN 539 Cb 0.05 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.37 2qrm h GLN 539 CO -0.03 0.70 0.46 0.93 -2.65 0.00 0.00 178.83 178.24 2qrm h GLU 540 N 0.95 1.08 -0.59 1.69 5.08 -1.03 -0.59 114.58 121.17 2qrm h GLU 540 Ca 0.25 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 2qrm h GLU 540 Cb 0.01 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 2qrm h GLU 540 CO -0.04 0.78 0.07 -0.91 -1.00 0.00 0.00 179.01 177.91 2qrm h ASN 541 N 1.09 0.96 -0.65 1.42 2.35 -0.79 -1.61 115.58 118.35 2qrm h ASN 541 Ca 0.28 -0.27 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 2qrm h ASN 541 Cb -0.01 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 2qrm h ASN 541 CO -0.05 1.00 0.14 0.11 -1.65 0.00 0.00 177.43 176.97 2qrm h LYS 542 N 0.90 1.05 -0.41 0.81 1.57 -0.83 -1.84 116.57 117.82 2qrm h LYS 542 Ca 0.18 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2qrm h LYS 542 Cb 0.46 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2qrm h LYS 542 CO 0.02 0.95 0.16 -0.07 -0.57 0.00 0.00 179.45 179.94 2qrm h LEU 543 N 0.97 0.58 -0.79 2.94 3.38 -0.96 -0.60 115.31 120.83 2qrm h LEU 543 Ca 0.20 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2qrm h LEU 543 Cb 0.39 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2qrm h LEU 543 CO 0.01 0.60 0.41 0.50 0.09 0.00 0.00 178.44 180.05 2qrm h LYS 544 N 0.52 1.12 -0.16 1.13 3.64 -1.19 -1.64 116.57 119.99 2qrm h LYS 544 Ca 0.14 -0.14 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 2qrm h LYS 544 Cb 0.21 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2qrm h LYS 544 CO -0.01 0.84 -0.67 0.35 -2.27 0.00 0.00 179.45 177.69 2qrm h PHE 545 N 1.10 0.83 -0.31 1.91 3.57 -1.19 -0.81 116.94 122.05 2qrm h PHE 545 Ca 0.27 -0.34 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 2qrm h PHE 545 Cb 0.07 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 2qrm h PHE 545 CO 0.01 1.12 0.11 0.00 -2.23 0.00 0.00 178.31 177.32 2qrm h ALA 546 N 0.79 1.62 -0.06 2.41 0.00 -0.96 -1.38 119.26 121.67 2qrm h ALA 546 Ca -0.02 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.57 2qrm h ALA 546 Cb 1.26 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.92 2qrm h ALA 546 CO 0.13 0.30 -0.86 0.00 0.00 0.00 0.00 179.25 178.82 2qrm h ALA 547 N 1.69 0.37 -0.75 0.00 0.00 -1.09 -3.01 119.26 116.48 2qrm h ALA 547 Ca 0.11 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 2qrm h ALA 547 Cb 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2qrm h ALA 547 CO -0.01 0.74 0.44 -0.92 0.00 0.00 0.00 179.25 179.50 2qrm h TYR 548 N 0.36 1.00 -0.38 0.00 5.03 -0.69 -2.36 116.97 119.94 2qrm h TYR 548 Ca -0.07 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.21 2qrm h TYR 548 Cb 1.48 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 39.42 2qrm h TYR 548 CO 0.07 0.68 0.16 -0.07 -1.32 0.00 0.00 178.16 177.69 2qrm h LEU 549 N 1.03 0.51 -0.74 2.82 3.38 -1.29 -2.22 115.31 118.80 2qrm h LEU 549 Ca 0.27 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2qrm h LEU 549 Cb -0.01 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2qrm h LEU 549 CO -0.05 0.52 0.28 -0.33 0.09 0.00 0.00 178.44 178.95 2qrm h GLU 550 N 0.47 1.12 0.32 1.13 5.08 -1.45 -1.03 114.58 120.21 2qrm h GLU 550 Ca 0.13 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2qrm h GLU 550 Cb 0.16 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2qrm h GLU 550 CO -0.01 0.93 -0.15 0.00 -1.00 0.00 0.00 179.01 178.77 2qrm h ARG 551 N 1.07 -0.42 0.00 2.33 3.08 -1.31 -2.02 114.38 117.12 2qrm h ARG 551 Ca 0.24 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2qrm h ARG 551 Cb 0.24 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2qrm h ARG 551 CO -0.02 -0.09 -0.71 0.93 -1.07 0.00 0.00 179.97 179.02 2qrm h GLU 552 N -0.85 0.00 0.00 0.04 3.07 -1.50 -3.39 114.58 111.95 2qrm h GLU 552 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2qrm h GLU 552 Cb 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 2qrm h GLU 552 CO 0.07 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.34 2qrm n TYR 553 N -2.42 0.00 -3.06 4.33 4.01 -0.46 -5.04 117.16 114.51 2qrm n TYR 553 Ca 0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.55 2qrm n TYR 553 Cb 0.49 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.53 2qrm n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2qrm n LYS 554 N -0.07 -3.84 -4.50 -0.72 4.76 -0.76 -4.93 118.16 108.10 2qrm n LYS 554 Ca 0.00 0.70 -0.34 0.00 -2.87 0.00 0.00 58.31 55.81 2qrm n LYS 554 Cb 0.13 -5.47 -0.12 0.00 -1.84 0.00 0.00 35.03 27.74 2qrm n LYS 554 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2qrm s VAL 555 N -3.01 3.84 -0.18 -0.18 -7.23 -1.19 -4.94 120.40 107.50 2qrm s VAL 555 Ca 0.29 -0.40 -0.07 0.00 -1.81 0.00 0.00 61.98 59.99 2qrm s VAL 555 Cb -0.14 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 2qrm s VAL 555 CO 0.36 0.55 0.05 -1.00 -0.31 0.00 0.00 175.10 174.74 2qrm s HIS 556 N -0.20 3.20 0.10 2.82 0.09 -1.26 -3.15 115.29 116.88 2qrm s HIS 556 Ca 0.03 -0.03 0.05 0.00 -0.00 0.00 0.00 55.06 55.11 2qrm s HIS 556 Cb -0.13 -2.07 -0.03 0.00 -0.00 0.00 0.00 32.58 30.35 2qrm s HIS 556 CO 0.02 0.08 -0.14 0.96 -0.00 0.00 0.00 174.74 175.66 2qrm s ILE 557 N 0.48 1.18 -0.44 0.60 -4.36 -1.26 -5.12 121.20 112.28 2qrm s ILE 557 Ca 0.02 -1.52 -0.29 0.00 -0.26 0.00 0.00 60.65 58.61 2qrm s ILE 557 Cb -0.13 -1.30 0.03 0.00 1.25 0.00 0.00 42.46 42.31 2qrm s ILE 557 CO 0.01 -0.35 1.10 0.21 0.24 0.00 0.00 174.94 176.15 2qrm s ASN 558 N -2.12 6.68 0.00 4.36 2.47 -1.26 -4.92 114.94 120.15 2qrm s ASN 558 Ca 0.03 0.55 0.21 0.00 0.42 0.00 0.00 52.86 54.08 2qrm s ASN 558 Cb -0.07 -2.54 1.02 0.00 -1.45 0.00 0.00 41.25 38.22 2qrm s ASN 558 CO 0.02 -1.15 1.67 -2.65 -3.72 0.00 0.00 177.10 171.28 2qrm n PRO 559 N 7.55 0.23 0.01 0.43 -0.02 -1.26 -2.35 135.00 139.59 2qrm n PRO 559 Ca 0.11 0.10 0.12 0.00 -2.02 0.00 0.00 63.50 61.81 2qrm n PRO 559 Cb 0.49 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.67 2qrm n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qrm n ASN 560 N -1.34 0.56 -4.83 2.55 5.03 -1.26 -4.87 115.26 111.10 2qrm n ASN 560 Ca 0.09 -0.19 -0.31 0.00 0.87 0.00 0.00 54.58 55.04 2qrm n ASN 560 Cb 0.19 0.30 0.05 0.00 -1.02 0.00 0.00 39.78 39.29 2qrm n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2qrm s SER 561 N -3.33 5.41 -0.01 6.41 1.04 -0.99 -4.96 113.70 117.26 2qrm s SER 561 Ca 0.09 1.54 -0.30 0.00 0.48 0.00 0.00 55.95 57.76 2qrm s SER 561 Cb 0.16 -2.43 -0.05 0.00 0.10 0.00 0.00 66.02 63.80 2qrm s SER 561 CO 0.72 -1.41 1.41 -0.22 0.98 0.00 0.00 173.24 174.72 2qrm s LEU 562 N -5.51 4.31 -0.59 2.42 0.20 0.19 -4.75 118.68 114.94 2qrm s LEU 562 Ca 0.58 2.10 -0.24 0.00 0.69 0.00 0.00 54.13 57.26 2qrm s LEU 562 Cb -0.14 -3.56 0.05 0.00 -0.43 0.00 0.00 46.19 42.12 2qrm s LEU 562 CO 0.55 -0.74 0.96 -0.36 -0.29 0.00 0.00 176.35 176.47 2qrm s PHE 563 N 2.59 2.74 -0.37 5.38 2.99 -1.26 -0.37 117.98 129.68 2qrm s PHE 563 Ca 0.64 -0.18 -0.11 0.00 0.00 0.00 0.00 56.93 57.29 2qrm s PHE 563 Cb -0.31 -4.16 0.03 0.00 0.00 0.00 0.00 43.02 38.58 2qrm s PHE 563 CO 0.26 -1.47 0.20 0.34 -0.00 0.00 0.00 175.22 174.55 2qrm s ASP 564 N 3.13 5.71 -0.11 1.36 3.68 0.25 -1.52 116.67 129.16 2qrm s ASP 564 Ca 0.28 -1.02 0.02 0.00 2.13 0.00 0.00 52.55 53.97 2qrm s ASP 564 Cb -0.14 -2.01 0.01 0.00 -1.45 0.00 0.00 42.92 39.33 2qrm s ASP 564 CO 0.16 -0.39 -0.18 -0.69 0.13 0.00 0.00 175.17 174.21 2qrm s VAL 565 N 1.54 1.67 -0.31 1.11 1.01 -0.46 0.14 120.40 125.10 2qrm s VAL 565 Ca 0.02 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2qrm s VAL 565 Cb -0.19 -1.50 0.09 0.00 0.00 0.00 0.00 36.38 34.78 2qrm s VAL 565 CO 0.06 0.47 0.04 -1.58 0.00 0.00 0.00 175.10 174.10 2qrm s GLN 566 N 0.84 1.25 -0.12 2.72 0.74 0.21 -1.77 119.66 123.52 2qrm s GLN 566 Ca -0.09 -1.40 0.02 0.00 0.05 0.00 0.00 55.36 53.93 2qrm s GLN 566 Cb -0.16 -2.64 0.02 0.00 1.10 0.00 0.00 33.01 31.33 2qrm s GLN 566 CO 0.00 -0.88 -0.16 0.14 -0.55 0.00 0.00 175.29 173.84 2qrm s VAL 567 N 1.26 1.62 0.00 1.34 -7.23 -1.26 -1.74 120.40 114.39 2qrm s VAL 567 Ca 0.07 -0.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 2qrm s VAL 567 Cb -0.18 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.28 2qrm s VAL 567 CO -0.14 0.46 0.00 2.29 -0.31 0.00 0.00 175.10 177.41 2qrm n LYS 568 N 4.29 0.00 -1.71 4.82 2.85 -1.02 -4.99 118.16 122.40 2qrm n LYS 568 Ca -0.19 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.68 2qrm n LYS 568 Cb 0.51 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.93 2qrm n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qrm n ARG 569 N -0.30 1.58 -2.55 -1.58 5.12 -1.26 -3.99 116.66 113.68 2qrm n ARG 569 Ca 0.00 0.58 -0.43 0.00 -1.93 0.00 0.00 57.85 56.07 2qrm n ARG 569 Cb 0.00 -2.45 -0.02 0.00 -1.16 0.00 0.00 32.46 28.83 2qrm n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2qrm s ILE 570 N -1.31 4.38 -0.04 0.55 -1.09 -0.43 -4.90 121.20 118.37 2qrm s ILE 570 Ca 0.70 1.60 -0.14 0.00 -2.23 0.00 0.00 60.65 60.58 2qrm s ILE 570 Cb -0.44 -4.29 0.03 0.00 -1.58 0.00 0.00 42.46 36.18 2qrm s ILE 570 CO 0.50 -0.43 0.32 -2.28 -1.23 0.00 0.00 174.94 171.83 2qrm s HIS 571 N 3.82 -0.23 0.31 3.97 2.46 -1.26 -4.70 115.29 119.67 2qrm s HIS 571 Ca 0.50 0.43 0.04 0.00 0.47 0.00 0.00 55.06 56.50 2qrm s HIS 571 Cb -0.15 0.11 0.64 0.00 -0.13 0.00 0.00 32.58 33.05 2qrm s HIS 571 CO 0.17 -0.35 1.87 0.93 -2.47 0.00 0.00 174.74 174.90 2qrm h GLU 572 N 4.26 0.87 0.00 2.88 5.08 -1.97 -2.28 114.58 123.43 2qrm h GLU 572 Ca -0.29 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 57.96 2qrm h GLU 572 Cb 1.18 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2qrm h GLU 572 CO 0.37 0.58 -0.27 0.10 -1.00 0.00 0.00 179.01 178.79 2qrm h TYR 573 N 0.90 0.00 0.00 4.33 -0.00 -1.97 -2.20 116.97 118.03 2qrm h TYR 573 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.17 2qrm h TYR 573 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.20 2qrm h TYR 573 CO -0.00 0.27 0.00 1.63 -0.00 0.00 0.00 178.16 180.06 2qrm n LYS 574 N -3.92 0.18 -3.64 0.10 5.02 -0.86 -3.00 118.16 112.04 2qrm n LYS 574 Ca -0.02 0.20 -0.23 0.00 -2.02 0.00 0.00 58.31 56.24 2qrm n LYS 574 Cb 0.35 -1.73 0.07 0.00 -0.02 0.00 0.00 35.03 33.69 2qrm n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qrm n ARG 575 N -2.06 -6.82 -0.13 1.97 1.74 -0.83 -4.07 116.66 106.45 2qrm n ARG 575 Ca 0.05 0.76 0.27 0.00 -0.77 0.00 0.00 57.85 58.17 2qrm n ARG 575 Cb 0.37 -5.72 0.72 0.00 -1.02 0.00 0.00 32.46 26.81 2qrm n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qrm h GLN 576 N -2.31 0.00 -0.53 5.56 7.50 -1.85 -1.44 115.11 122.04 2qrm h GLN 576 Ca -0.58 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 58.52 2qrm h GLN 576 Cb 1.36 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.87 2qrm h GLN 576 CO 0.57 0.00 0.12 -0.07 -1.50 0.00 0.00 178.83 177.96 2qrm h LEU 577 N 0.00 0.77 -0.62 1.46 3.38 -1.91 -0.94 115.31 117.44 2qrm h LEU 577 Ca 0.39 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 2qrm h LEU 577 Cb 1.63 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.16 2qrm h LEU 577 CO -0.00 0.76 0.23 0.25 0.09 0.00 0.00 178.44 179.76 2qrm h LEU 578 N 0.79 0.87 -0.27 1.67 5.85 -1.64 -1.43 115.31 121.16 2qrm h LEU 578 Ca 0.17 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.74 2qrm h LEU 578 Cb 0.30 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2qrm h LEU 578 CO -0.00 0.81 0.08 -1.13 -0.34 0.00 0.00 178.44 177.86 2qrm h ASN 579 N 0.87 0.07 -0.89 1.25 -0.00 -1.40 -2.41 115.58 113.08 2qrm h ASN 579 Ca 0.20 0.03 0.13 0.00 -0.00 0.00 0.00 56.30 56.67 2qrm h ASN 579 Cb 0.23 0.03 -0.09 0.00 -0.00 0.00 0.00 38.32 38.49 2qrm h ASN 579 CO -0.01 0.08 0.51 0.00 -0.00 0.00 0.00 177.43 178.00 2qrm h LEU 581 N 0.77 1.06 -0.37 0.00 3.38 -0.89 -1.89 115.31 117.37 2qrm h LEU 581 Ca 0.46 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 2qrm h LEU 581 Cb 0.55 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2qrm h LEU 581 CO -0.31 1.01 0.04 -0.74 0.09 0.00 0.00 178.44 178.53 2qrm h HIS 582 N 1.06 0.67 -0.33 1.13 2.76 -0.91 -1.39 115.15 118.15 2qrm h HIS 582 Ca 0.22 -0.10 0.06 0.00 -2.20 0.00 0.00 60.37 58.35 2qrm h HIS 582 Cb 0.36 -0.18 -0.06 0.00 1.55 0.00 0.00 27.41 29.09 2qrm h HIS 582 CO 0.03 0.69 -0.03 0.28 -1.30 0.00 0.00 177.93 177.60 2qrm h VAL 583 N 0.45 0.72 -0.69 5.26 2.07 -1.03 -0.36 116.25 122.68 2qrm h VAL 583 Ca 0.11 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 2qrm h VAL 583 Cb 0.40 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2qrm h VAL 583 CO 0.01 0.01 0.26 0.40 0.02 0.00 0.00 177.57 178.28 2qrm h ILE 584 N 0.05 1.24 -0.28 4.57 2.04 -1.27 -1.48 117.51 122.38 2qrm h ILE 584 Ca 0.16 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.29 2qrm h ILE 584 Cb 0.23 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2qrm h ILE 584 CO -0.29 0.31 0.08 0.74 0.00 0.00 0.00 178.15 178.98 2qrm h THR 585 N 1.00 0.91 -0.53 -0.27 2.02 -0.66 0.61 112.91 115.99 2qrm h THR 585 Ca 0.23 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.35 2qrm h THR 585 Cb 0.21 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 2qrm h THR 585 CO -0.02 0.04 0.35 -0.07 0.37 0.00 0.00 175.52 176.19 2qrm h LEU 586 N 0.20 0.60 -0.25 2.58 4.07 -0.73 -0.85 115.31 120.93 2qrm h LEU 586 Ca 0.13 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 2qrm h LEU 586 Cb 0.11 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 2qrm h LEU 586 CO -0.14 0.43 0.16 0.22 -1.08 0.00 0.00 178.44 178.03 2qrm h TYR 587 N 0.71 0.33 -0.41 1.13 5.03 -1.00 -1.94 116.97 120.83 2qrm h TYR 587 Ca 0.19 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.46 2qrm h TYR 587 Cb -0.08 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.07 2qrm h TYR 587 CO -0.04 0.24 0.05 -0.91 -1.32 0.00 0.00 178.16 176.18 2qrm h ASN 588 N 0.33 0.58 -0.11 -2.11 2.35 -0.62 -1.27 115.58 114.73 2qrm h ASN 588 Ca 0.09 -0.10 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 2qrm h ASN 588 Cb -0.00 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2qrm h ASN 588 CO -0.02 0.62 -0.44 0.03 -1.65 0.00 0.00 177.43 175.97 2qrm h ARG 589 N 0.60 0.66 -0.27 0.81 3.08 -1.02 -1.53 114.38 116.70 2qrm h ARG 589 Ca 0.13 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 2qrm h ARG 589 Cb 0.30 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2qrm h ARG 589 CO 0.00 0.97 0.06 0.82 -1.07 0.00 0.00 179.97 180.75 2qrm h ILE 590 N 0.53 1.22 0.00 2.04 2.04 -1.04 -1.85 117.51 120.44 2qrm h ILE 590 Ca 0.04 -0.71 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 2qrm h ILE 590 Cb 0.98 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 2qrm h ILE 590 CO 0.09 0.23 -0.22 0.11 0.00 0.00 0.00 178.15 178.36 2qrm h LYS 591 N 0.26 0.00 -0.04 2.37 1.79 -1.15 -0.83 116.57 118.97 2qrm h LYS 591 Ca 0.08 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.33 2qrm h LYS 591 Cb 0.29 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.95 2qrm h LYS 591 CO 0.00 0.22 -0.86 -0.22 -1.08 0.00 0.00 179.45 177.51 2qrm h LYS 592 N 0.00 0.66 -2.43 3.15 3.64 -1.16 -3.40 116.57 117.03 2qrm h LYS 592 Ca -0.00 -0.65 -0.59 0.00 -1.27 0.00 0.00 60.65 58.13 2qrm h LYS 592 Cb 0.42 0.17 -0.40 0.00 -0.41 0.00 0.00 32.23 32.02 2qrm h LYS 592 CO 0.03 1.25 -0.84 0.39 -2.27 0.00 0.00 179.45 178.01 2qrm n GLU 593 N -3.97 1.14 0.22 1.90 1.02 -0.71 -5.00 120.64 115.25 2qrm n GLU 593 Ca -0.10 -3.79 0.06 0.00 -0.02 0.00 0.00 57.16 53.32 2qrm n GLU 593 Cb 0.79 -1.83 0.52 0.00 -0.02 0.00 0.00 31.44 30.91 2qrm n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2qrm h PRO 594 N 4.93 0.00 -0.68 3.49 0.11 -1.38 -2.78 132.00 135.69 2qrm h PRO 594 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2qrm h PRO 594 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2qrm h PRO 594 CO 0.56 0.20 0.00 0.09 -0.21 0.00 0.00 178.00 178.65 2qrm n ASN 595 N -4.15 3.69 -4.81 -2.05 4.13 -1.26 -4.88 115.26 105.93 2qrm n ASN 595 Ca -0.02 -2.02 -0.38 0.00 1.68 0.00 0.00 54.58 53.84 2qrm n ASN 595 Cb 0.27 -0.46 -0.06 0.00 -1.54 0.00 0.00 39.78 37.99 2qrm n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2qrm s LYS 596 N -1.12 4.12 0.13 3.52 2.36 -1.05 -5.06 119.74 122.64 2qrm s LYS 596 Ca 0.46 0.63 -0.30 0.00 -2.55 0.00 0.00 55.97 54.20 2qrm s LYS 596 Cb 0.24 -3.25 -0.07 0.00 -1.05 0.00 0.00 37.83 33.71 2qrm s LYS 596 CO 0.31 0.62 1.11 0.12 1.55 0.00 0.00 175.35 179.07 2qrm s PHE 597 N -0.99 3.56 0.03 4.03 5.36 -1.26 -5.05 117.98 123.66 2qrm s PHE 597 Ca 0.27 1.53 0.03 0.00 -0.96 0.00 0.00 56.93 57.80 2qrm s PHE 597 Cb -0.18 -3.30 -0.02 0.00 -0.34 0.00 0.00 43.02 39.18 2qrm s PHE 597 CO 0.17 -0.73 -0.10 0.14 -1.46 0.00 0.00 175.22 173.24 2qrm s VAL 598 N 0.26 0.80 0.06 3.12 -7.23 -1.26 -5.12 120.40 111.03 2qrm s VAL 598 Ca 0.52 -0.85 -0.30 0.00 -1.81 0.00 0.00 61.98 59.54 2qrm s VAL 598 Cb -0.28 -0.76 -0.09 0.00 0.56 0.00 0.00 36.38 35.81 2qrm s VAL 598 CO 0.32 -0.07 1.81 -0.69 -0.31 0.00 0.00 175.10 176.16 2qrm s VAL 599 N -0.83 2.96 0.31 1.32 1.01 -1.26 -4.94 120.40 118.96 2qrm s VAL 599 Ca -0.01 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 2qrm s VAL 599 Cb -0.07 -3.15 -0.10 0.00 0.00 0.00 0.00 36.38 33.06 2qrm s VAL 599 CO 0.01 -0.01 1.28 -2.84 0.00 0.00 0.00 175.10 173.54 2qrm s PRO 600 N 3.49 4.40 0.03 2.72 0.02 -1.26 -4.93 135.00 139.47 2qrm s PRO 600 Ca 0.81 2.14 0.05 0.00 0.02 0.00 0.00 61.00 64.03 2qrm s PRO 600 Cb -0.42 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 30.98 2qrm s PRO 600 CO 0.36 -0.14 -0.16 1.03 -0.33 0.00 0.00 177.00 177.76 2qrm s ARG 601 N -1.53 1.08 -0.31 5.54 0.52 -0.51 -0.64 118.95 123.11 2qrm s ARG 601 Ca 0.49 -0.75 -0.05 0.00 -0.52 0.00 0.00 55.73 54.90 2qrm s ARG 601 Cb -0.38 -1.11 0.03 0.00 0.52 0.00 0.00 34.95 34.01 2qrm s ARG 601 CO 0.49 0.28 0.06 0.99 0.02 0.00 0.00 175.30 177.15 2qrm s THR 602 N -0.73 3.63 -0.30 0.02 2.01 0.50 -2.05 115.64 118.73 2qrm s THR 602 Ca 0.04 -1.01 -0.15 0.00 0.31 0.00 0.00 61.69 60.88 2qrm s THR 602 Cb -0.08 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 2qrm s THR 602 CO 0.01 -0.04 0.39 -0.69 -0.69 0.00 0.00 174.62 173.60 2qrm s VAL 603 N 1.41 5.15 -0.15 3.82 1.01 0.67 -0.58 120.40 131.72 2qrm s VAL 603 Ca -0.01 0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.40 2qrm s VAL 603 Cb -0.18 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.44 2qrm s VAL 603 CO 0.01 0.05 -0.16 -0.04 0.00 0.00 0.00 175.10 174.96 2qrm s MET 604 N 2.10 3.20 -0.07 2.72 -1.94 0.12 -1.03 119.30 124.40 2qrm s MET 604 Ca 0.15 -0.76 0.03 0.00 -1.71 0.00 0.00 55.69 53.39 2qrm s MET 604 Cb -0.16 -2.60 0.01 0.00 2.01 0.00 0.00 34.83 34.09 2qrm s MET 604 CO 0.11 0.02 -0.15 0.42 -0.01 0.00 0.00 175.02 175.41 2qrm s ILE 605 N 0.80 1.31 0.05 2.53 1.01 -0.73 -0.62 121.20 125.55 2qrm s ILE 605 Ca -0.06 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 2qrm s ILE 605 Cb -0.15 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 2qrm s ILE 605 CO -0.00 0.39 0.05 -0.83 0.00 0.00 0.00 174.94 174.56 2qrm s GLY 606 N 0.57 0.29 0.00 6.18 0.00 -0.71 -0.42 107.32 113.23 2qrm s GLY 606 Ca -0.15 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2qrm s GLY 606 CO 0.05 -0.99 0.00 0.61 0.00 0.00 0.00 173.10 172.76 2qrm n GLY 607 N 0.33 3.96 3.88 0.20 0.00 -1.26 -2.44 105.19 109.86 2qrm n GLY 607 Ca -0.16 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 2qrm n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qrm s LYS 608 N -2.74 3.73 -0.09 1.61 1.02 -1.26 -4.64 119.74 117.37 2qrm s LYS 608 Ca 0.00 0.12 -0.04 0.00 0.02 0.00 0.00 55.97 56.07 2qrm s LYS 608 Cb 0.00 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 2qrm s LYS 608 CO 0.00 0.51 0.08 0.00 -0.92 0.00 0.00 175.35 175.02 2qrm s ALA 609 N -1.51 3.62 0.25 5.17 0.00 -1.26 -1.31 121.76 126.70 2qrm s ALA 609 Ca 0.37 -0.73 -0.31 0.00 0.00 0.00 0.00 51.96 51.28 2qrm s ALA 609 Cb -0.13 -1.73 -0.12 0.00 0.00 0.00 0.00 23.12 21.13 2qrm s ALA 609 CO 0.20 0.62 1.59 0.00 0.00 0.00 0.00 175.76 178.17 2qrm n ALA 610 N 1.92 2.21 -0.11 0.00 0.00 -1.26 -4.87 120.51 118.39 2qrm n ALA 610 Ca -0.18 0.40 0.26 0.00 0.00 0.00 0.00 53.44 53.91 2qrm n ALA 610 Cb 0.54 -2.43 0.72 0.00 0.00 0.00 0.00 19.45 18.28 2qrm n ALA 610 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2qrm h PRO 611 N 5.31 0.00 -0.68 0.00 0.11 -1.99 -1.35 132.00 133.41 2qrm h PRO 611 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qrm h PRO 611 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2qrm h PRO 611 CO 0.84 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.04 2qrm n GLY 612 N -1.67 2.57 3.34 -0.55 0.00 -1.26 -4.84 105.19 102.78 2qrm n GLY 612 Ca 0.16 -0.75 -0.46 0.00 0.00 0.00 0.00 46.02 44.96 2qrm n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qrm s TYR 613 N -1.07 3.59 0.14 1.61 6.04 -0.51 -4.94 117.35 122.21 2qrm s TYR 613 Ca 0.46 -1.78 -0.18 0.00 0.04 0.00 0.00 57.07 55.60 2qrm s TYR 613 Cb 0.24 -3.88 0.00 0.00 -1.04 0.00 0.00 41.96 37.29 2qrm s TYR 613 CO 0.30 -1.06 1.73 1.25 -1.54 0.00 0.00 175.55 176.23 2qrm h HIS 614 N 8.11 0.04 -0.74 4.97 -0.00 -1.88 -2.30 115.15 123.35 2qrm h HIS 614 Ca 0.04 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2qrm h HIS 614 Cb 1.05 0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 28.44 2qrm h HIS 614 CO 1.00 -0.01 0.45 1.98 -0.00 0.00 0.00 177.93 181.35 2qrm h MET 615 N 0.11 1.01 -0.76 5.26 1.85 -1.98 -0.76 114.93 119.66 2qrm h MET 615 Ca 0.12 -0.09 -0.00 0.00 -0.61 0.00 0.00 59.70 59.12 2qrm h MET 615 Cb 0.14 -0.21 -0.04 0.00 0.43 0.00 0.00 31.60 31.92 2qrm h MET 615 CO -0.18 0.71 0.46 0.00 -0.40 0.00 0.00 176.91 177.50 2qrm h ALA 616 N 1.24 1.38 -0.16 0.39 0.00 -1.84 -0.91 119.26 119.37 2qrm h ALA 616 Ca 0.27 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 2qrm h ALA 616 Cb -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2qrm h ALA 616 CO -0.05 0.54 -0.46 0.87 0.00 0.00 0.00 179.25 180.15 2qrm h LYS 617 N 1.05 0.40 -0.28 0.00 1.57 -0.81 -2.65 116.57 115.85 2qrm h LYS 617 Ca 0.28 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 2qrm h LYS 617 Cb -0.05 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2qrm h LYS 617 CO -0.05 0.78 -0.21 0.52 -0.57 0.00 0.00 179.45 179.92 2qrm h MET 618 N 0.32 0.51 -0.44 3.15 2.86 -0.51 -2.53 114.93 118.29 2qrm h MET 618 Ca 0.02 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.41 2qrm h MET 618 Cb 0.94 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.55 2qrm h MET 618 CO 0.08 0.70 0.03 0.82 1.06 0.00 0.00 176.91 179.59 2qrm h ILE 619 N 0.46 1.26 -0.49 -1.22 2.04 -1.01 -0.73 117.51 117.82 2qrm h ILE 619 Ca 0.07 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 64.98 2qrm h ILE 619 Cb 0.63 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2qrm h ILE 619 CO 0.04 0.34 0.26 0.40 0.00 0.00 0.00 178.15 179.20 2qrm h ILE 620 N 0.62 0.98 -0.69 -0.67 2.04 -1.38 -1.49 117.51 116.92 2qrm h ILE 620 Ca 0.13 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2qrm h ILE 620 Cb 0.46 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 2qrm h ILE 620 CO 0.02 0.09 0.41 0.50 0.00 0.00 0.00 178.15 179.17 2qrm h LYS 621 N 0.51 0.93 -0.44 2.37 1.63 -1.20 -2.38 116.57 118.00 2qrm h LYS 621 Ca 0.21 -0.09 0.04 0.00 -0.85 0.00 0.00 60.65 59.97 2qrm h LYS 621 Cb 0.10 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 31.49 2qrm h LYS 621 CO -0.14 0.67 0.20 1.25 -3.45 0.00 0.00 179.45 177.98 2qrm h LEU 622 N 0.93 0.26 -0.21 5.20 6.46 -0.74 -0.55 115.31 126.66 2qrm h LEU 622 Ca 0.25 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 2qrm h LEU 622 Cb -0.02 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 2qrm h LEU 622 CO -0.05 0.19 0.13 0.40 -0.62 0.00 0.00 178.44 178.49 2qrm h ILE 623 N 0.39 1.04 -0.37 4.05 2.04 -0.93 -0.06 117.51 123.67 2qrm h ILE 623 Ca 0.20 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.88 2qrm h ILE 623 Cb 0.14 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2qrm h ILE 623 CO -0.16 0.05 -0.10 0.71 0.00 0.00 0.00 178.15 178.64 2qrm h THR 624 N 0.27 1.24 -0.65 -0.27 1.35 -1.30 -1.95 112.91 111.60 2qrm h THR 624 Ca 0.08 -1.08 -0.08 0.00 -0.55 0.00 0.00 66.41 64.78 2qrm h THR 624 Cb -0.02 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 67.45 2qrm h THR 624 CO -0.03 0.36 0.11 0.00 -0.25 0.00 0.00 175.52 175.71 2qrm h ALA 625 N 1.30 0.95 -0.28 6.62 0.00 -0.60 -0.12 119.26 127.13 2qrm h ALA 625 Ca 0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2qrm h ALA 625 Cb 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2qrm h ALA 625 CO 0.03 0.66 0.07 0.82 0.00 0.00 0.00 179.25 180.83 2qrm h ILE 626 N 1.01 1.21 -0.77 0.00 2.04 -0.84 -2.86 117.51 117.30 2qrm h ILE 626 Ca 0.20 -0.69 0.10 0.00 1.00 0.00 0.00 64.86 65.47 2qrm h ILE 626 Cb 0.43 1.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 2qrm h ILE 626 CO 0.01 0.23 0.41 1.23 0.00 0.00 0.00 178.15 180.02 2qrm h GLY 627 N 0.28 1.18 1.08 5.37 0.00 -1.09 0.77 103.07 110.65 2qrm h GLY 627 Ca 0.09 -0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.21 2qrm h GLY 627 CO 0.00 0.07 0.50 -0.55 0.00 0.00 0.00 176.54 176.56 2qrm h ASP 628 N 0.67 0.76 0.02 0.19 3.45 -0.85 0.59 116.42 121.25 2qrm h ASP 628 Ca 0.38 -0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.84 2qrm h ASP 628 Cb 0.40 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 2qrm h ASP 628 CO -0.27 0.51 -0.01 0.58 -1.57 0.00 0.00 179.24 178.47 2qrm h VAL 629 N 0.87 1.22 -0.50 -1.35 2.07 -1.19 -3.36 116.25 114.01 2qrm h VAL 629 Ca 0.31 -1.83 -0.10 0.00 0.82 0.00 0.00 66.70 65.91 2qrm h VAL 629 Cb 0.14 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2qrm h VAL 629 CO -0.10 0.40 -0.08 0.58 0.02 0.00 0.00 177.57 178.40 2qrm h VAL 630 N -0.96 1.27 0.00 2.57 2.07 -0.78 -3.00 116.25 117.41 2qrm h VAL 630 Ca -0.00 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.32 2qrm h VAL 630 Cb 0.68 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2qrm h VAL 630 CO 0.00 0.42 0.00 0.59 0.02 0.00 0.00 177.57 178.60 2qrm n ASN 631 N -4.23 0.39 -0.06 0.57 3.02 0.19 -3.15 115.26 111.99 2qrm n ASN 631 Ca 0.01 0.57 0.01 0.00 -0.03 0.00 0.00 54.58 55.13 2qrm n ASN 631 Cb 0.37 -0.66 0.01 0.00 -0.61 0.00 0.00 39.78 38.89 2qrm n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2qrm n HIS 632 N -1.90 0.03 -2.85 3.10 8.25 -1.18 -4.97 115.22 115.70 2qrm n HIS 632 Ca 0.04 -0.38 -0.42 0.00 -0.26 0.00 0.00 57.72 56.69 2qrm n HIS 632 Cb 0.27 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.30 2qrm n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qrm s ASP 633 N -0.79 6.67 0.46 0.41 -1.08 -1.14 -4.94 116.67 116.26 2qrm s ASP 633 Ca 0.02 0.58 0.17 0.00 -0.52 0.00 0.00 52.55 52.80 2qrm s ASP 633 Cb 0.01 -2.44 1.08 0.00 -1.46 0.00 0.00 42.92 40.11 2qrm s ASP 633 CO 0.01 -0.79 2.00 -0.65 0.52 0.00 0.00 175.17 176.27 2qrm h PRO 634 N 8.38 0.00 -0.14 4.34 0.11 -1.93 -2.31 132.00 140.45 2qrm h PRO 634 Ca -0.23 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.77 2qrm h PRO 634 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2qrm h PRO 634 CO 0.95 0.18 -0.38 0.28 -0.21 0.00 0.00 178.00 178.82 2qrm h VAL 635 N 0.00 1.30 -0.37 3.15 2.07 -1.97 -3.01 116.25 117.41 2qrm h VAL 635 Ca -0.00 -1.46 -0.11 0.00 0.82 0.00 0.00 66.70 65.95 2qrm h VAL 635 Cb 0.33 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2qrm h VAL 635 CO 0.02 0.44 -0.20 0.58 0.02 0.00 0.00 177.57 178.43 2qrm h VAL 636 N 0.26 1.28 0.00 2.57 2.07 -1.76 -3.48 116.25 117.19 2qrm h VAL 636 Ca 0.03 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.21 2qrm h VAL 636 Cb 0.79 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2qrm h VAL 636 CO 0.06 0.44 0.00 0.61 0.02 0.00 0.00 177.57 178.70 2qrm n GLY 637 N -0.03 2.07 1.63 2.17 0.00 -1.14 -2.56 105.19 107.32 2qrm n GLY 637 Ca -0.02 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.68 2qrm n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qrm n ASP 638 N 5.57 5.11 0.12 1.61 5.68 -1.26 -4.51 116.55 128.87 2qrm n ASP 638 Ca 0.00 -2.76 0.04 0.00 -0.50 0.00 0.00 54.79 51.57 2qrm n ASP 638 Cb 0.00 -0.62 0.01 0.00 -1.14 0.00 0.00 41.12 39.37 2qrm n ASP 638 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2qrm h ARG 639 N 3.69 0.00 -2.80 0.11 3.08 -1.84 -3.44 114.38 113.18 2qrm h ARG 639 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 2qrm h ARG 639 Cb 1.71 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 31.46 2qrm h ARG 639 CO 0.36 0.33 -0.44 -1.17 -1.07 0.00 0.00 179.97 177.99 2qrm s LEU 640 N -6.15 -0.10 -0.03 3.04 2.96 -1.26 -1.42 118.68 115.72 2qrm s LEU 640 Ca 0.02 0.71 0.03 0.00 -0.22 0.00 0.00 54.13 54.67 2qrm s LEU 640 Cb 0.08 0.97 0.00 0.00 0.50 0.00 0.00 46.19 47.74 2qrm s LEU 640 CO 0.76 -0.21 -0.10 -0.13 -1.32 0.00 0.00 176.35 175.35 2qrm s ARG 641 N 1.88 1.11 -0.21 1.98 1.81 -0.87 -4.69 118.95 119.95 2qrm s ARG 641 Ca -0.05 -0.35 0.02 0.00 -1.72 0.00 0.00 55.73 53.62 2qrm s ARG 641 Cb -0.11 -1.01 0.04 0.00 -0.45 0.00 0.00 34.95 33.42 2qrm s ARG 641 CO -0.10 0.13 -0.15 0.08 -0.68 0.00 0.00 175.30 174.58 2qrm s VAL 642 N 0.19 2.02 -0.08 3.52 1.01 -1.26 -0.24 120.40 125.56 2qrm s VAL 642 Ca -0.04 -1.18 0.04 0.00 0.00 0.00 0.00 61.98 60.80 2qrm s VAL 642 Cb -0.09 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.32 2qrm s VAL 642 CO 0.01 0.28 -0.19 -0.63 0.00 0.00 0.00 175.10 174.57 2qrm s ILE 643 N 1.25 1.69 -0.26 2.22 1.09 -0.20 -4.53 121.20 122.47 2qrm s ILE 643 Ca -0.01 -0.81 -0.19 0.00 -1.10 0.00 0.00 60.65 58.54 2qrm s ILE 643 Cb -0.16 -1.48 -0.03 0.00 -1.06 0.00 0.00 42.46 39.74 2qrm s ILE 643 CO -0.09 0.48 0.54 0.12 -0.10 0.00 0.00 174.94 175.89 2qrm s PHE 644 N 0.39 3.27 -0.58 3.97 2.19 -1.26 -1.78 117.98 124.18 2qrm s PHE 644 Ca -0.15 0.68 -0.28 0.00 0.33 0.00 0.00 56.93 57.52 2qrm s PHE 644 Cb -0.16 -2.75 0.03 0.00 -1.31 0.00 0.00 43.02 38.83 2qrm s PHE 644 CO 0.06 -0.29 1.17 -0.51 1.83 0.00 0.00 175.22 177.48 2qrm s LEU 645 N 2.35 3.51 0.30 6.12 1.02 0.44 -4.96 118.68 127.46 2qrm s LEU 645 Ca 0.22 0.05 -0.29 0.00 0.02 0.00 0.00 54.13 54.14 2qrm s LEU 645 Cb -0.16 -3.13 -0.10 0.00 0.02 0.00 0.00 46.19 42.83 2qrm s LEU 645 CO 0.09 -1.46 1.22 -0.70 0.02 0.00 0.00 176.35 175.51 2qrm s GLU 646 N 4.87 4.48 -1.29 1.70 2.12 -1.26 -4.00 118.70 125.32 2qrm s GLU 646 Ca 0.42 2.03 -0.03 0.00 0.36 0.00 0.00 54.97 57.74 2qrm s GLU 646 Cb -0.08 -3.13 0.01 0.00 0.26 0.00 0.00 34.13 31.19 2qrm s GLU 646 CO 0.25 -0.01 0.96 -1.71 -0.54 0.00 0.00 175.26 174.21 2qrm n ASN 647 N 1.05 -2.92 -4.69 -1.70 5.15 -1.25 -4.91 115.26 105.99 2qrm n ASN 647 Ca -0.00 -0.67 -0.44 0.00 -0.60 0.00 0.00 54.58 52.87 2qrm n ASN 647 Cb 0.43 -4.75 -0.04 0.00 -0.53 0.00 0.00 39.78 34.90 2qrm n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qrm n TYR 648 N -4.39 2.48 -3.82 1.20 9.36 -1.26 -4.87 117.16 115.87 2qrm n TYR 648 Ca -0.21 0.11 -0.08 0.00 3.32 0.00 0.00 57.90 61.04 2qrm n TYR 648 Cb 0.64 -2.62 0.01 0.00 -0.63 0.00 0.00 39.34 36.74 2qrm n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 2qrm s ARG 649 N 1.55 2.08 0.15 2.98 1.70 -1.26 -4.74 118.95 121.41 2qrm s ARG 649 Ca 0.79 -1.29 -0.16 0.00 -0.47 0.00 0.00 55.73 54.60 2qrm s ARG 649 Cb -0.60 0.61 0.06 0.00 -0.57 0.00 0.00 34.95 34.45 2qrm s ARG 649 CO 0.37 -0.97 1.75 0.28 -1.08 0.00 0.00 175.30 175.65 2qrm h VAL 650 N 2.00 0.89 -0.73 4.99 2.07 -1.96 -0.16 116.25 123.35 2qrm h VAL 650 Ca -0.28 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.15 2qrm h VAL 650 Cb 1.25 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2qrm h VAL 650 CO 0.35 0.05 0.48 0.77 0.02 0.00 0.00 177.57 179.24 2qrm h SER 651 N 0.26 0.83 -0.16 0.57 4.64 -1.97 -1.63 113.55 116.10 2qrm h SER 651 Ca 0.16 -0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.28 2qrm h SER 651 Cb 0.14 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2qrm h SER 651 CO -0.17 0.60 -0.58 0.25 -0.87 0.00 0.00 176.83 176.06 2qrm h LEU 652 N 0.98 0.85 -0.97 5.97 5.85 -1.74 -3.09 115.31 123.16 2qrm h LEU 652 Ca 0.27 -0.47 0.09 0.00 0.84 0.00 0.00 57.88 58.61 2qrm h LEU 652 Cb -0.11 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.61 2qrm h LEU 652 CO -0.06 1.24 0.61 0.00 -0.34 0.00 0.00 178.44 179.89 2qrm h ALA 653 N 0.77 1.40 0.00 1.25 0.00 -0.39 -0.58 119.26 121.72 2qrm h ALA 653 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2qrm h ALA 653 Cb 1.17 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2qrm h ALA 653 CO 0.12 0.30 -0.05 0.93 0.00 0.00 0.00 179.25 180.54 2qrm h GLU 654 N 1.04 0.00 0.05 0.00 5.08 -1.24 -1.84 114.58 117.67 2qrm h GLU 654 Ca 0.45 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.50 2qrm h GLU 654 Cb 0.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2qrm h GLU 654 CO -0.22 0.05 -1.69 1.63 -1.00 0.00 0.00 179.01 177.78 2qrm n LYS 655 N -3.43 0.65 0.11 2.33 5.02 -0.43 -4.49 118.16 117.92 2qrm n LYS 655 Ca -0.02 0.42 -0.18 0.00 -2.02 0.00 0.00 58.31 56.51 2qrm n LYS 655 Cb 0.18 -1.70 -0.14 0.00 -0.02 0.00 0.00 35.03 33.34 2qrm n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2qrm h VAL 656 N -0.55 1.41 -0.28 -0.18 3.04 -1.09 -3.34 116.25 115.27 2qrm h VAL 656 Ca -0.42 -2.95 -0.01 0.00 -1.01 0.00 0.00 66.70 62.32 2qrm h VAL 656 Cb 1.63 2.95 -0.01 0.00 -2.01 0.00 0.00 31.29 33.85 2qrm h VAL 656 CO -0.11 0.87 0.15 0.40 -1.01 0.00 0.00 177.57 177.87 2qrm h ILE 657 N 0.09 1.12 -0.02 3.17 2.04 -1.57 -1.58 117.51 120.76 2qrm h ILE 657 Ca -0.18 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.36 2qrm h ILE 657 Cb 2.03 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2qrm h ILE 657 CO 0.22 0.12 0.04 -0.65 0.00 0.00 0.00 178.15 177.88 2qrm h PRO 658 N 0.34 0.00 -0.00 2.37 0.11 -1.79 -2.55 132.00 130.48 2qrm h PRO 658 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2qrm h PRO 658 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 2qrm h PRO 658 CO -0.02 0.00 -0.40 0.00 -0.21 0.00 0.00 178.00 177.37 2qrm n ALA 659 N -2.22 3.35 -1.77 -0.75 0.00 -0.63 -4.76 120.51 113.73 2qrm n ALA 659 Ca -0.02 -0.36 -0.38 0.00 0.00 0.00 0.00 53.44 52.68 2qrm n ALA 659 Cb 0.12 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 2qrm n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qrm s ALA 660 N -2.82 3.23 -0.23 0.00 0.00 -0.96 -4.62 121.76 116.36 2qrm s ALA 660 Ca 0.16 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 52.66 2qrm s ALA 660 Cb 0.18 -3.19 -0.19 0.00 0.00 0.00 0.00 23.12 19.92 2qrm s ALA 660 CO 0.63 0.17 -0.10 -0.25 0.00 0.00 0.00 175.76 176.21 2qrm n ASP 661 N 0.73 2.01 -4.04 0.00 8.00 -0.58 -4.11 116.55 118.56 2qrm n ASP 661 Ca 0.01 -0.04 -0.27 0.00 0.71 0.00 0.00 54.79 55.20 2qrm n ASP 661 Cb 0.49 -0.53 -0.17 0.00 -0.02 0.00 0.00 41.12 40.89 2qrm n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qrm s LEU 662 N -6.69 1.65 -0.27 0.64 0.20 -0.59 -0.88 118.68 112.75 2qrm s LEU 662 Ca -0.32 -0.37 -0.10 0.00 0.69 0.00 0.00 54.13 54.02 2qrm s LEU 662 Cb 0.09 -0.98 -0.04 0.00 -0.43 0.00 0.00 46.19 44.82 2qrm s LEU 662 CO 0.63 0.01 0.16 -0.55 -0.29 0.00 0.00 176.35 176.31 2qrm s SER 663 N 0.91 5.82 -0.40 3.68 0.15 0.26 -1.36 113.70 122.76 2qrm s SER 663 Ca -0.09 -0.04 -0.19 0.00 0.70 0.00 0.00 55.95 56.33 2qrm s SER 663 Cb -0.15 -2.07 0.01 0.00 -1.71 0.00 0.00 66.02 62.10 2qrm s SER 663 CO 0.00 -0.03 0.56 -1.61 1.20 0.00 0.00 173.24 173.37 2qrm s GLU 664 N 1.61 3.39 -0.54 5.44 0.41 -0.73 -1.39 118.70 126.91 2qrm s GLU 664 Ca 0.07 -0.34 0.06 0.00 -0.41 0.00 0.00 54.97 54.35 2qrm s GLU 664 Cb -0.15 -3.90 0.20 0.00 -1.78 0.00 0.00 34.13 28.50 2qrm s GLU 664 CO 0.08 -0.84 0.50 1.04 -0.49 0.00 0.00 175.26 175.56 2qrm n GLN 665 N 5.96 1.22 -0.65 1.61 1.13 -0.53 -4.78 117.38 121.33 2qrm n GLN 665 Ca -0.04 -3.85 0.05 0.00 -1.94 0.00 0.00 57.00 51.23 2qrm n GLN 665 Cb 0.48 -1.86 0.20 0.00 0.11 0.00 0.00 30.24 29.17 2qrm n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2qrm n ILE 666 N 1.89 2.16 -1.77 5.09 -5.35 -1.26 -2.54 119.36 117.58 2qrm n ILE 666 Ca 0.25 -3.21 -0.37 0.00 -0.27 0.00 0.00 62.75 59.16 2qrm n ILE 666 Cb 0.44 -0.22 0.06 0.00 -1.74 0.00 0.00 39.64 38.18 2qrm n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2qrm s SER 667 N -3.21 4.66 0.25 7.28 1.04 -1.26 -4.65 113.70 117.80 2qrm s SER 667 Ca 0.38 2.59 -0.31 0.00 0.48 0.00 0.00 55.95 59.10 2qrm s SER 667 Cb 0.37 -2.62 -0.12 0.00 0.10 0.00 0.00 66.02 63.76 2qrm s SER 667 CO -0.07 -1.97 1.66 -0.89 0.98 0.00 0.00 173.24 172.95 2qrm s THR 668 N -1.43 2.07 0.05 2.02 2.01 -1.16 -4.67 115.64 114.53 2qrm s THR 668 Ca 0.82 0.05 -0.37 0.00 0.31 0.00 0.00 61.69 62.51 2qrm s THR 668 Cb -0.37 -3.03 -0.16 0.00 0.01 0.00 0.00 72.50 68.95 2qrm s THR 668 CO 0.39 0.01 1.42 0.00 -0.69 0.00 0.00 174.62 175.75 2qrm n ALA 669 N 3.14 -0.58 -0.32 7.40 0.00 -1.26 -1.95 120.51 126.94 2qrm n ALA 669 Ca 0.12 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.05 2qrm n ALA 669 Cb 0.36 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2qrm n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qrm n GLY 670 N 2.84 0.77 0.05 0.00 0.00 -1.26 -4.69 105.19 102.89 2qrm n GLY 670 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 2qrm n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qrm n THR 671 N -2.19 0.65 -2.96 2.61 -2.24 -0.82 -4.89 114.28 104.44 2qrm n THR 671 Ca 0.00 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 61.06 2qrm n THR 671 Cb 0.00 -0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 67.32 2qrm n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2qrm s GLU 672 N -2.23 3.32 0.19 -0.78 2.56 -1.26 -4.77 118.70 115.73 2qrm s GLU 672 Ca -0.12 -0.33 -0.12 0.00 0.00 0.00 0.00 54.97 54.40 2qrm s GLU 672 Cb 0.04 -4.01 0.22 0.00 2.00 0.00 0.00 34.13 32.38 2qrm s GLU 672 CO 0.30 -1.27 1.69 0.00 -0.56 0.00 0.00 175.26 175.42 2qrm h ALA 673 N 9.10 0.55 0.00 6.30 0.00 -1.90 -2.83 119.26 130.47 2qrm h ALA 673 Ca -0.26 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qrm h ALA 673 Cb 1.08 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2qrm h ALA 673 CO 1.01 -0.36 0.00 0.45 0.00 0.00 0.00 179.25 180.34 2qrm n SER 674 N -5.20 -0.12 0.00 0.00 2.88 -1.26 -4.19 113.62 105.73 2qrm n SER 674 Ca 0.07 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2qrm n SER 674 Cb 0.29 0.32 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 2qrm n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qrm n GLY 675 N 1.56 -1.44 0.00 0.46 0.00 -1.26 -0.97 105.19 103.53 2qrm n GLY 675 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2qrm n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qrm n THR 676 N -0.42 0.00 -0.27 2.61 -2.24 -1.26 -4.75 114.28 107.95 2qrm n THR 676 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 2qrm n THR 676 Cb 0.00 -0.26 0.21 0.00 -2.10 0.00 0.00 70.33 68.18 2qrm n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2qrm h GLY 677 N 0.00 1.23 -0.16 3.38 0.00 -1.95 -1.62 103.07 103.95 2qrm h GLY 677 Ca 0.00 -0.17 0.19 0.00 0.00 0.00 0.00 47.33 47.35 2qrm h GLY 677 CO 0.00 -0.10 0.29 3.45 0.00 0.00 0.00 176.54 180.19 2qrm h ASN 678 N 0.48 0.18 0.00 0.19 -0.00 -1.94 -2.29 115.58 112.20 2qrm h ASN 678 Ca 0.44 0.15 0.00 0.00 -0.00 0.00 0.00 56.30 56.89 2qrm h ASN 678 Cb 0.67 0.17 0.00 0.00 -0.00 0.00 0.00 38.32 39.16 2qrm h ASN 678 CO -0.40 -0.02 0.00 0.23 -0.00 0.00 0.00 177.43 177.24 2qrm n MET 679 N -5.10 0.49 0.00 4.14 2.81 -0.61 -2.20 117.12 116.65 2qrm n MET 679 Ca 0.19 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 2qrm n MET 679 Cb 0.57 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 31.82 2qrm n MET 679 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2qrm n PHE 681 N 0.75 0.00 -0.26 2.03 3.72 -0.86 -2.02 117.46 120.81 2qrm n PHE 681 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 2qrm n PHE 681 Cb 0.24 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.84 2qrm n PHE 681 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 2qrm h MET 682 N 0.00 0.95 0.00 -1.08 4.05 -1.65 -2.31 114.93 114.89 2qrm h MET 682 Ca 0.00 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.32 2qrm h MET 682 Cb 0.00 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.58 2qrm h MET 682 CO 0.00 0.63 -0.18 1.25 0.23 0.00 0.00 176.91 178.84 2qrm h LEU 683 N 0.98 0.00 -2.96 3.39 5.85 -1.70 -3.24 115.31 117.62 2qrm h LEU 683 Ca 0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2qrm h LEU 683 Cb -0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2qrm h LEU 683 CO -0.06 0.18 0.00 0.59 -0.34 0.00 0.00 178.44 178.82 2qrm n ASN 684 N -3.47 3.79 0.00 1.25 3.02 -1.05 -4.91 115.26 113.89 2qrm n ASN 684 Ca -0.01 -2.24 0.00 0.00 -0.03 0.00 0.00 54.58 52.31 2qrm n ASN 684 Cb 0.35 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 2qrm n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qrm n GLY 685 N 0.84 0.91 3.84 7.41 0.00 -1.15 -4.79 105.19 112.26 2qrm n GLY 685 Ca 0.20 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 2qrm n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrm s ALA 686 N -2.00 3.77 0.41 4.61 0.00 -0.89 -4.80 121.76 122.85 2qrm s ALA 686 Ca 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 51.96 51.02 2qrm s ALA 686 Cb 0.00 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.41 2qrm s ALA 686 CO 0.00 0.76 0.72 -0.51 0.00 0.00 0.00 175.76 176.73 2qrm s LEU 687 N -2.19 3.80 -0.14 0.00 1.43 -0.06 -4.41 118.68 117.11 2qrm s LEU 687 Ca 0.29 0.90 -0.01 0.00 -1.03 0.00 0.00 54.13 54.28 2qrm s LEU 687 Cb -0.12 -3.80 -0.01 0.00 0.03 0.00 0.00 46.19 42.28 2qrm s LEU 687 CO 0.21 -0.43 -0.12 -0.89 0.23 0.00 0.00 176.35 175.35 2qrm s THR 688 N -2.48 3.13 -0.26 5.49 2.01 -1.26 -0.58 115.64 121.69 2qrm s THR 688 Ca 0.47 -0.63 -0.09 0.00 0.31 0.00 0.00 61.69 61.75 2qrm s THR 688 Cb -0.10 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 2qrm s THR 688 CO 0.38 0.52 0.12 -0.51 -0.69 0.00 0.00 174.62 174.43 2qrm s ILE 689 N 0.43 4.75 0.16 1.82 2.07 -0.48 -1.49 121.20 128.46 2qrm s ILE 689 Ca -0.09 -0.02 -0.23 0.00 -1.41 0.00 0.00 60.65 58.89 2qrm s ILE 689 Cb -0.16 -3.24 0.07 0.00 0.13 0.00 0.00 42.46 39.26 2qrm s ILE 689 CO 0.05 0.31 0.64 -0.83 -1.91 0.00 0.00 174.94 173.19 2qrm s GLY 690 N 1.63 -0.55 0.63 1.50 0.00 -0.52 -1.46 107.32 108.56 2qrm s GLY 690 Ca 0.07 0.44 -0.09 0.00 0.00 0.00 0.00 44.72 45.14 2qrm s GLY 690 CO 0.07 0.15 0.99 -0.51 0.00 0.00 0.00 173.10 173.79 2qrm s THR 691 N -3.71 3.81 -1.34 0.90 -4.23 -1.05 -2.35 115.64 107.66 2qrm s THR 691 Ca 0.02 0.33 -0.16 0.00 -1.18 0.00 0.00 61.69 60.71 2qrm s THR 691 Cb -0.02 -3.55 0.02 0.00 1.34 0.00 0.00 72.50 70.30 2qrm s THR 691 CO -0.10 -0.65 2.10 0.23 -0.54 0.00 0.00 174.62 175.66 2qrm n MET 692 N -2.76 2.71 -4.26 3.99 2.81 -1.26 -4.68 117.12 113.67 2qrm n MET 692 Ca 0.05 -2.62 -0.18 0.00 -1.81 0.00 0.00 57.70 53.14 2qrm n MET 692 Cb 0.57 -3.29 -0.13 0.00 -0.71 0.00 0.00 33.22 29.66 2qrm n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2qrm s ASP 693 N 3.67 1.50 0.76 7.83 3.68 -1.26 -4.64 116.67 128.21 2qrm s ASP 693 Ca 0.50 -0.48 0.00 0.00 2.13 0.00 0.00 52.55 54.70 2qrm s ASP 693 Cb 0.12 -0.07 0.00 0.00 -1.45 0.00 0.00 42.92 41.52 2qrm s ASP 693 CO -0.03 -0.02 0.00 0.61 0.13 0.00 0.00 175.17 175.86 2qrm n GLY 694 N 1.76 2.56 0.07 2.66 0.00 -1.07 -1.56 105.19 109.61 2qrm n GLY 694 Ca -0.19 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.71 2qrm n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrm n ALA 695 N 8.16 1.93 -0.34 4.61 0.00 -0.15 -3.24 120.51 131.48 2qrm n ALA 695 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2qrm n ALA 695 Cb 0.00 -1.39 0.31 0.00 0.00 0.00 0.00 19.45 18.38 2qrm n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2qrm h ASN 696 N 0.00 0.73 -0.41 0.00 4.21 -1.49 0.56 115.58 119.18 2qrm h ASN 696 Ca 0.00 0.10 0.04 0.00 1.21 0.00 0.00 56.30 57.65 2qrm h ASN 696 Cb 0.45 -0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 37.59 2qrm h ASN 696 CO 0.00 0.25 0.18 0.58 -1.29 0.00 0.00 177.43 177.15 2qrm h VAL 697 N 0.72 0.94 -0.03 2.81 2.07 -1.65 -0.74 116.25 120.36 2qrm h VAL 697 Ca 0.57 -0.13 -0.19 0.00 0.82 0.00 0.00 66.70 67.77 2qrm h VAL 697 Cb 0.89 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2qrm h VAL 697 CO -0.39 0.07 -0.79 -0.33 0.02 0.00 0.00 177.57 176.14 2qrm h GLU 698 N 0.37 0.30 -0.10 1.57 5.08 -1.48 -1.81 114.58 118.51 2qrm h GLU 698 Ca 0.18 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2qrm h GLU 698 Cb 0.12 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2qrm h GLU 698 CO -0.15 0.95 0.07 0.52 -1.00 0.00 0.00 179.01 179.39 2qrm h MET 699 N 0.19 0.14 -0.62 2.33 2.86 -0.69 0.09 114.93 119.23 2qrm h MET 699 Ca -0.04 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2qrm h MET 699 Cb 1.38 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.99 2qrm h MET 699 CO 0.13 0.12 0.28 0.00 1.06 0.00 0.00 176.91 178.49 2qrm h ALA 700 N 1.01 1.32 -0.51 6.32 0.00 -1.11 -0.94 119.26 125.35 2qrm h ALA 700 Ca 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2qrm h ALA 700 Cb 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2qrm h ALA 700 CO -0.01 0.52 0.23 1.49 0.00 0.00 0.00 179.25 181.48 2qrm h GLU 701 N 0.88 0.75 -0.12 0.00 4.81 -1.02 0.19 114.58 120.08 2qrm h GLU 701 Ca 0.21 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2qrm h GLU 701 Cb 0.13 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 2qrm h GLU 701 CO -0.02 0.64 -0.02 0.93 -0.73 0.00 0.00 179.01 179.81 2qrm h GLU 702 N 0.69 0.22 0.00 1.92 4.39 -0.61 -3.29 114.58 117.90 2qrm h GLU 702 Ca 0.17 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.70 2qrm h GLU 702 Cb 0.15 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2qrm h GLU 702 CO -0.02 0.51 -0.46 0.00 -1.16 0.00 0.00 179.01 177.88 2qrm h ALA 703 N 0.70 0.71 0.00 3.43 0.00 -1.18 -3.47 119.26 119.45 2qrm h ALA 703 Ca 0.03 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2qrm h ALA 703 Cb 0.43 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2qrm h ALA 703 CO 0.01 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.23 2qrm n GLY 704 N 1.21 1.41 0.30 0.00 0.00 0.67 -4.65 105.19 104.14 2qrm n GLY 704 Ca 0.02 -1.41 0.12 0.00 0.00 0.00 0.00 46.02 44.76 2qrm n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qrm h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.86 -0.66 114.58 118.75 2qrm h GLU 705 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qrm h GLU 705 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2qrm h GLU 705 CO 0.00 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 178.94 2qrm h GLU 706 N 0.00 0.00 -0.52 2.33 3.07 -1.90 -2.74 114.58 114.82 2qrm h GLU 706 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 2qrm h GLU 706 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 2qrm h GLU 706 CO -0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 2qrm n ASN 707 N -2.93 4.12 -4.07 1.42 3.02 -0.26 -4.93 115.26 111.64 2qrm n ASN 707 Ca -0.01 -2.40 -0.18 0.00 -0.03 0.00 0.00 54.58 51.97 2qrm n ASN 707 Cb 0.20 -0.48 -0.13 0.00 -0.61 0.00 0.00 39.78 38.75 2qrm n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2qrm s PHE 708 N -1.74 0.90 -1.04 3.10 5.36 -1.03 -4.81 117.98 118.73 2qrm s PHE 708 Ca 0.43 -0.30 -0.12 0.00 -0.96 0.00 0.00 56.93 55.97 2qrm s PHE 708 Cb 0.28 -0.55 0.23 0.00 -0.34 0.00 0.00 43.02 42.64 2qrm s PHE 708 CO 0.21 -0.01 1.08 -0.06 -1.46 0.00 0.00 175.22 174.98 2qrm s PHE 709 N -0.72 3.90 -0.00 10.12 0.08 -0.55 -4.95 117.98 125.85 2qrm s PHE 709 Ca -0.01 -2.29 -0.17 0.00 0.12 0.00 0.00 56.93 54.58 2qrm s PHE 709 Cb -0.07 -3.96 -0.06 0.00 -0.57 0.00 0.00 43.02 38.37 2qrm s PHE 709 CO 0.00 -1.09 0.49 0.42 -0.10 0.00 0.00 175.22 174.94 2qrm s ILE 710 N -0.01 4.96 0.16 0.64 1.01 -1.26 -1.43 121.20 125.28 2qrm s ILE 710 Ca 0.30 1.02 -0.09 0.00 0.00 0.00 0.00 60.65 61.88 2qrm s ILE 710 Cb -0.08 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 2qrm s ILE 710 CO -0.07 0.50 0.28 0.72 0.00 0.00 0.00 174.94 176.37 2qrm s PHE 711 N -0.63 0.40 0.00 3.97 -0.71 -0.99 -4.97 117.98 115.05 2qrm s PHE 711 Ca 0.26 -0.77 0.00 0.00 -1.04 0.00 0.00 56.93 55.39 2qrm s PHE 711 Cb -0.17 -0.06 0.00 0.00 -1.21 0.00 0.00 43.02 41.58 2qrm s PHE 711 CO 0.15 -0.72 0.00 0.41 -1.34 0.00 0.00 175.22 173.72 2qrm n GLY 712 N -0.21 -2.87 3.77 1.99 0.00 -1.26 -4.26 105.19 102.35 2qrm n GLY 712 Ca -0.07 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 2qrm n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qrm s MET 713 N -0.81 3.97 0.65 1.61 -1.94 -1.26 -4.91 119.30 116.61 2qrm s MET 713 Ca 0.00 2.46 -0.04 0.00 -1.71 0.00 0.00 55.69 56.39 2qrm s MET 713 Cb 0.00 -2.85 0.05 0.00 2.01 0.00 0.00 34.83 34.03 2qrm s MET 713 CO 0.00 -0.60 0.93 1.03 -0.01 0.00 0.00 175.02 176.37 2qrm s ARG 714 N -2.21 2.39 0.25 2.03 1.81 -1.26 -4.51 118.95 117.46 2qrm s ARG 714 Ca 0.56 -0.36 -0.03 0.00 -1.72 0.00 0.00 55.73 54.18 2qrm s ARG 714 Cb -0.44 -2.27 0.50 0.00 -0.45 0.00 0.00 34.95 32.29 2qrm s ARG 714 CO 0.59 -1.02 1.72 0.28 -0.68 0.00 0.00 175.30 176.19 2qrm h VAL 715 N -0.36 0.62 -0.57 3.52 2.07 -1.84 -0.63 116.25 119.05 2qrm h VAL 715 Ca -0.44 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2qrm h VAL 715 Cb 1.30 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2qrm h VAL 715 CO 0.58 0.08 0.31 -0.33 0.02 0.00 0.00 177.57 178.23 2qrm h GLU 716 N 0.43 0.79 -0.29 1.57 3.07 -1.95 -1.45 114.58 116.75 2qrm h GLU 716 Ca 0.44 -0.08 -0.13 0.00 -0.50 0.00 0.00 59.36 59.09 2qrm h GLU 716 Cb 0.70 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 2qrm h GLU 716 CO -0.43 0.59 -0.36 -0.44 -1.40 0.00 0.00 179.01 176.96 2qrm h ASP 717 N 0.80 0.68 -0.51 1.42 3.45 -1.52 -1.79 116.42 118.95 2qrm h ASP 717 Ca 0.20 -0.29 -0.08 0.00 0.43 0.00 0.00 57.03 57.30 2qrm h ASP 717 Cb 0.03 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.60 2qrm h ASP 717 CO -0.03 0.97 0.01 0.58 -1.57 0.00 0.00 179.24 179.20 2qrm h VAL 718 N 0.54 1.26 -0.38 -1.35 2.07 -0.80 -2.36 116.25 115.24 2qrm h VAL 718 Ca 0.05 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.51 2qrm h VAL 718 Cb 0.87 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 2qrm h VAL 718 CO 0.08 0.38 0.23 0.44 0.02 0.00 0.00 177.57 178.72 2qrm h ASP 719 N 0.76 0.39 -0.61 0.57 3.32 -1.14 -0.99 116.42 118.72 2qrm h ASP 719 Ca 0.14 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.23 2qrm h ASP 719 Cb 0.51 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 2qrm h ASP 719 CO 0.02 0.28 0.36 0.03 -1.72 0.00 0.00 179.24 178.21 2qrm h ARG 720 N 0.47 0.68 -0.70 3.56 3.08 -1.26 -1.46 114.38 118.75 2qrm h ARG 720 Ca 0.15 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 2qrm h ARG 720 Cb -0.02 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 2qrm h ARG 720 CO -0.05 0.45 0.15 1.25 -1.07 0.00 0.00 179.97 180.70 2qrm h LEU 721 N 0.70 1.08 -0.84 3.04 6.46 -1.16 -2.28 115.31 122.31 2qrm h LEU 721 Ca 0.25 -0.24 -0.05 0.00 -0.12 0.00 0.00 57.88 57.72 2qrm h LEU 721 Cb 0.06 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 39.67 2qrm h LEU 721 CO -0.12 1.04 0.27 0.44 -0.62 0.00 0.00 178.44 179.45 2qrm h ASP 722 N 1.07 1.04 -0.52 1.25 3.32 -0.83 0.26 116.42 122.01 2qrm h ASP 722 Ca 0.22 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 2qrm h ASP 722 Cb 0.40 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2qrm h ASP 722 CO 0.01 0.95 0.04 1.56 -1.72 0.00 0.00 179.24 180.08 2qrm h GLN 723 N 1.09 0.94 0.02 3.56 4.20 -1.04 -2.99 115.11 120.89 2qrm h GLN 723 Ca 0.25 -0.25 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 2qrm h GLN 723 Cb 0.25 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2qrm h GLN 723 CO -0.02 0.90 -1.01 -0.09 -0.67 0.00 0.00 178.83 177.94 2qrm h ARG 724 N 0.87 0.07 0.00 1.46 2.43 -1.19 -3.50 114.38 114.52 2qrm h ARG 724 Ca 0.17 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2qrm h ARG 724 Cb 0.45 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2qrm h ARG 724 CO 0.02 1.02 0.00 0.41 -1.51 0.00 0.00 179.97 179.90 2qrm n GLY 725 N 1.28 1.41 3.65 2.80 0.00 0.89 -5.02 105.19 110.20 2qrm n GLY 725 Ca -0.02 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 2qrm n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qrm s TYR 726 N 0.00 3.29 -0.33 1.61 5.04 -1.21 -4.87 117.35 120.88 2qrm s TYR 726 Ca 0.00 1.34 0.02 0.00 -2.44 0.00 0.00 57.07 56.00 2qrm s TYR 726 Cb 0.00 -3.35 0.09 0.00 0.35 0.00 0.00 41.96 39.05 2qrm s TYR 726 CO 0.00 -0.55 0.03 1.21 -1.34 0.00 0.00 175.55 174.90 2qrm s ASN 727 N 1.34 4.77 0.37 4.32 3.84 -1.26 -4.98 114.94 123.34 2qrm s ASN 727 Ca 0.43 -1.87 0.08 0.00 0.21 0.00 0.00 52.86 51.71 2qrm s ASN 727 Cb -0.14 -1.65 0.71 0.00 -0.55 0.00 0.00 41.25 39.63 2qrm s ASN 727 CO 0.09 -0.34 1.89 0.00 -2.79 0.00 0.00 177.10 175.94 2qrm h ALA 728 N 7.75 1.45 -0.91 1.71 0.00 -1.88 -2.90 119.26 124.48 2qrm h ALA 728 Ca -0.11 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 54.73 2qrm h ALA 728 Cb 1.03 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 2qrm h ALA 728 CO 0.53 0.39 0.59 0.37 0.00 0.00 0.00 179.25 181.12 2qrm h GLN 729 N 0.30 0.74 -0.42 0.00 5.75 -1.92 -2.01 115.11 117.55 2qrm h GLN 729 Ca 0.06 -0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.59 2qrm h GLN 729 Cb 0.38 -0.17 -0.07 0.00 1.07 0.00 0.00 27.48 28.70 2qrm h GLN 729 CO 0.02 0.49 0.02 1.49 -2.65 0.00 0.00 178.83 178.21 2qrm h GLU 730 N 0.76 0.13 -0.32 1.69 4.81 -1.94 0.81 114.58 120.54 2qrm h GLU 730 Ca 0.46 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.63 2qrm h GLU 730 Cb 0.66 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2qrm h GLU 730 CO -0.22 0.09 -0.01 1.88 -0.73 0.00 0.00 179.01 180.02 2qrm h TYR 731 N 0.14 0.62 -0.77 0.92 -1.99 -1.54 -2.14 116.97 112.22 2qrm h TYR 731 Ca 0.21 -0.11 0.10 0.00 2.00 0.00 0.00 58.73 60.93 2qrm h TYR 731 Cb 0.29 -0.16 -0.08 0.00 2.00 0.00 0.00 36.73 38.78 2qrm h TYR 731 CO -0.26 0.70 0.40 -0.92 -0.00 0.00 0.00 178.16 178.08 2qrm h TYR 732 N 0.37 0.71 -0.15 4.88 5.03 -1.08 -0.91 116.97 125.82 2qrm h TYR 732 Ca 0.09 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.31 2qrm h TYR 732 Cb 0.46 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.52 2qrm h TYR 732 CO 0.04 0.25 -0.43 -0.44 -1.32 0.00 0.00 178.16 176.25 2qrm h ASP 733 N 0.65 0.37 0.05 -2.11 3.32 -0.65 -3.33 116.42 114.72 2qrm h ASP 733 Ca 0.38 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2qrm h ASP 733 Cb 0.42 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2qrm h ASP 733 CO -0.28 0.76 -1.07 0.54 -1.72 0.00 0.00 179.24 177.47 2qrm n ARG 734 N -4.01 0.08 -4.00 3.56 1.74 -0.82 -4.78 116.66 108.42 2qrm n ARG 734 Ca -0.02 -0.02 -0.31 0.00 -0.77 0.00 0.00 57.85 56.73 2qrm n ARG 734 Cb 0.51 -1.51 -0.15 0.00 -1.02 0.00 0.00 32.46 30.29 2qrm n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qrm s ILE 735 N -3.06 2.20 0.27 0.55 1.01 -0.39 -5.00 121.20 116.79 2qrm s ILE 735 Ca 0.06 -2.30 -0.03 0.00 0.00 0.00 0.00 60.65 58.38 2qrm s ILE 735 Cb 0.16 -2.63 0.26 0.00 0.01 0.00 0.00 42.46 40.26 2qrm s ILE 735 CO 0.86 -0.60 1.93 -0.65 0.00 0.00 0.00 174.94 176.48 2qrm h PRO 736 N 7.63 1.19 -0.53 2.79 0.11 -1.86 -1.26 132.00 140.08 2qrm h PRO 736 Ca -0.05 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.94 2qrm h PRO 736 Cb 1.02 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 2qrm h PRO 736 CO 0.52 0.79 0.09 0.93 -0.21 0.00 0.00 178.00 180.12 2qrm h GLU 737 N 1.23 0.83 -0.33 1.05 5.08 -1.95 -1.83 114.58 118.65 2qrm h GLU 737 Ca 0.36 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 2qrm h GLU 737 Cb -0.06 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2qrm h GLU 737 CO -0.10 0.77 -0.22 1.25 -1.00 0.00 0.00 179.01 179.71 2qrm h LEU 738 N 0.79 0.77 -0.55 1.33 5.85 -1.78 -3.08 115.31 118.63 2qrm h LEU 738 Ca 0.17 -0.43 0.07 0.00 0.84 0.00 0.00 57.88 58.52 2qrm h LEU 738 Cb 0.34 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2qrm h LEU 738 CO 0.00 1.04 0.25 -0.09 -0.34 0.00 0.00 178.44 179.30 2qrm h ARG 739 N 0.51 0.45 -0.50 1.25 2.43 -1.02 -2.45 114.38 115.06 2qrm h ARG 739 Ca 0.07 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 2qrm h ARG 739 Cb 0.78 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.17 2qrm h ARG 739 CO 0.06 0.30 0.15 0.37 -1.51 0.00 0.00 179.97 179.34 2qrm h GLN 740 N 0.46 0.31 -0.23 0.20 4.15 -1.32 -1.26 115.11 117.42 2qrm h GLN 740 Ca 0.26 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 2qrm h GLN 740 Cb 0.24 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 2qrm h GLN 740 CO -0.22 0.20 0.11 0.82 -1.93 0.00 0.00 178.83 177.82 2qrm h ILE 741 N 0.32 1.13 -0.98 2.39 2.04 -1.38 -0.23 117.51 120.80 2qrm h ILE 741 Ca 0.24 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2qrm h ILE 741 Cb 0.28 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 2qrm h ILE 741 CO -0.27 0.13 0.63 0.40 0.00 0.00 0.00 178.15 179.05 2qrm h ILE 742 N 0.24 1.26 -0.31 -0.67 1.08 -1.24 -0.51 117.51 117.36 2qrm h ILE 742 Ca 0.08 -0.50 -0.11 0.00 -0.39 0.00 0.00 64.86 63.94 2qrm h ILE 742 Cb 0.10 -0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 33.67 2qrm h ILE 742 CO -0.01 0.26 -0.25 -0.33 -0.69 0.00 0.00 178.15 177.12 2qrm h GLU 743 N 1.34 0.62 -0.32 2.37 5.08 -0.92 -1.19 114.58 121.57 2qrm h GLU 743 Ca 0.36 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2qrm h GLU 743 Cb -0.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2qrm h GLU 743 CO -0.07 0.82 0.09 1.96 -1.00 0.00 0.00 179.01 180.81 2qrm h GLN 744 N 0.54 0.49 -0.28 2.33 4.20 -0.39 -1.90 115.11 120.11 2qrm h GLN 744 Ca 0.08 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2qrm h GLN 744 Cb 0.72 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 2qrm h GLN 744 CO 0.06 0.54 0.13 -0.07 -0.67 0.00 0.00 178.83 178.82 2qrm h LEU 745 N 0.35 0.37 -0.69 1.46 3.38 -0.96 -1.65 115.31 117.58 2qrm h LEU 745 Ca 0.10 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2qrm h LEU 745 Cb 0.26 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2qrm h LEU 745 CO -0.00 0.40 0.11 0.28 0.09 0.00 0.00 178.44 179.31 2qrm h SER 746 N 0.31 1.07 1.74 -0.43 0.02 -1.22 -3.18 113.55 111.86 2qrm h SER 746 Ca 0.09 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2qrm h SER 746 Cb 0.13 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.38 2qrm h SER 746 CO -0.01 1.06 0.00 0.77 -1.14 0.00 0.00 176.83 177.51 2qrm h SER 747 N 1.05 0.00 0.00 3.07 4.64 -1.34 -3.43 113.55 117.54 2qrm h SER 747 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2qrm h SER 747 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2qrm h SER 747 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 2qrm n GLY 748 N 0.98 1.47 0.31 -0.77 0.00 -1.10 -4.85 105.19 101.22 2qrm n GLY 748 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2qrm n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qrm h PHE 749 N 0.00 0.73 -0.33 1.61 3.04 -1.55 -2.45 116.94 117.99 2qrm h PHE 749 Ca 0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2qrm h PHE 749 Cb 0.00 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.28 2qrm h PHE 749 CO 0.00 0.55 0.00 1.19 -2.02 0.00 0.00 178.31 178.03 2qrm n PHE 750 N -4.37 0.41 -2.97 0.41 3.72 -1.26 -4.56 117.46 108.84 2qrm n PHE 750 Ca 0.04 -0.21 -0.13 0.00 -0.05 0.00 0.00 57.45 57.10 2qrm n PHE 750 Cb 0.13 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 2qrm n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2qrm n SER 751 N 1.42 -2.08 -0.07 4.37 3.41 -0.96 -4.79 113.62 114.92 2qrm n SER 751 Ca 0.19 -2.84 -0.01 0.00 -0.26 0.00 0.00 58.87 55.95 2qrm n SER 751 Cb 0.59 0.86 0.27 0.00 -0.26 0.00 0.00 64.21 65.67 2qrm n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2qrm h PRO 752 N 4.78 0.68 0.00 4.33 0.11 -1.70 -2.63 132.00 137.56 2qrm h PRO 752 Ca 0.06 -0.12 -0.07 0.00 0.11 0.00 0.00 66.00 65.98 2qrm h PRO 752 Cb 1.01 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 2qrm h PRO 752 CO 0.24 0.61 -0.35 0.87 -0.21 0.00 0.00 178.00 179.16 2qrm h LYS 753 N 0.66 0.00 -2.72 1.05 1.57 -1.96 -3.37 116.57 111.79 2qrm h LYS 753 Ca 0.15 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.33 2qrm h LYS 753 Cb 0.24 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.15 2qrm h LYS 753 CO -0.00 0.35 -0.79 -0.65 -0.57 0.00 0.00 179.45 177.78 2qrm s GLN 754 N -3.07 1.50 0.35 3.15 -0.21 -1.01 -5.02 119.66 115.34 2qrm s GLN 754 Ca 0.05 -2.50 0.07 0.00 0.02 0.00 0.00 55.36 53.00 2qrm s GLN 754 Cb 0.07 -2.26 0.77 0.00 1.00 0.00 0.00 33.01 32.59 2qrm s GLN 754 CO 0.72 -1.31 1.89 -1.35 -2.12 0.00 0.00 175.29 173.11 2qrm h PRO 755 N 5.78 0.72 -0.64 2.91 0.11 -1.69 -2.30 132.00 136.89 2qrm h PRO 755 Ca 0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2qrm h PRO 755 Cb 0.86 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2qrm h PRO 755 CO 0.51 0.48 0.00 -0.40 -0.21 0.00 0.00 178.00 178.37 2qrm n ASP 756 N -4.54 4.22 -0.34 -2.05 3.85 -1.26 -3.40 116.55 113.02 2qrm n ASP 756 Ca 0.16 -2.38 0.08 0.00 -0.71 0.00 0.00 54.79 51.94 2qrm n ASP 756 Cb 0.40 -0.54 0.25 0.00 -1.35 0.00 0.00 41.12 39.89 2qrm n ASP 756 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2qrm h LEU 757 N 3.61 0.82 -3.63 -2.12 5.85 -1.74 -2.28 115.31 115.81 2qrm h LEU 757 Ca 0.00 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 2qrm h LEU 757 Cb 1.29 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 2qrm h LEU 757 CO 0.20 0.39 0.11 0.49 -0.34 0.00 0.00 178.44 179.29 2qrm n PHE 758 N -4.70 2.20 -0.26 1.25 3.01 -1.26 -4.55 117.46 113.14 2qrm n PHE 758 Ca 0.19 -0.94 0.02 0.00 1.01 0.00 0.00 57.45 57.73 2qrm n PHE 758 Cb 0.42 -0.58 0.23 0.00 -0.01 0.00 0.00 39.48 39.54 2qrm n PHE 758 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2qrm h LYS 759 N 3.35 1.02 -0.70 -1.08 2.10 -1.73 -1.92 116.57 117.62 2qrm h LYS 759 Ca 0.11 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.68 2qrm h LYS 759 Cb 2.11 -0.23 -0.03 0.00 -0.90 0.00 0.00 32.23 33.18 2qrm h LYS 759 CO 0.59 0.67 0.35 -0.44 -2.00 0.00 0.00 179.45 178.62 2qrm h ASP 760 N 1.05 0.90 -0.01 7.07 3.32 -1.84 -0.38 116.42 126.53 2qrm h ASP 760 Ca 0.32 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 2qrm h ASP 760 Cb -0.01 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 2qrm h ASP 760 CO -0.09 0.77 0.00 0.40 -1.72 0.00 0.00 179.24 178.60 2qrm h ILE 761 N 0.97 1.17 -0.48 0.35 2.04 -1.73 -1.19 117.51 118.64 2qrm h ILE 761 Ca 0.24 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2qrm h ILE 761 Cb 0.10 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2qrm h ILE 761 CO -0.03 0.14 0.32 0.58 0.00 0.00 0.00 178.15 179.15 2qrm h VAL 762 N -0.19 1.13 -0.68 1.67 2.07 -1.29 -0.92 116.25 118.05 2qrm h VAL 762 Ca 0.00 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.31 2qrm h VAL 762 Cb 0.22 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 2qrm h VAL 762 CO -0.00 0.12 0.44 -1.13 0.02 0.00 0.00 177.57 177.02 2qrm h ASN 763 N 0.65 0.74 -0.01 0.57 -1.24 -0.98 -0.21 115.58 115.11 2qrm h ASN 763 Ca 0.18 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.18 2qrm h ASN 763 Cb -0.07 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 38.81 2qrm h ASN 763 CO -0.04 0.52 0.00 -0.03 -1.29 0.00 0.00 177.43 176.60 2qrm h MET 764 N 0.87 0.01 -0.75 6.67 4.05 -0.96 -0.19 114.93 124.64 2qrm h MET 764 Ca 0.26 -0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.77 2qrm h MET 764 Cb -0.04 -0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 30.68 2qrm h MET 764 CO -0.08 0.20 0.39 -0.07 0.23 0.00 0.00 176.91 177.58 2qrm h LEU 765 N -0.18 0.54 0.05 3.39 4.07 -0.91 -1.26 115.31 121.00 2qrm h LEU 765 Ca 0.00 0.05 -0.24 0.00 0.08 0.00 0.00 57.88 57.78 2qrm h LEU 765 Cb 0.19 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 2qrm h LEU 765 CO -0.00 0.31 -1.11 0.24 -1.08 0.00 0.00 178.44 176.80 2qrm h MET 766 N 0.67 0.11 0.00 1.13 2.86 -0.94 -3.42 114.93 115.34 2qrm h MET 766 Ca 0.36 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2qrm h MET 766 Cb 0.36 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2qrm h MET 766 CO -0.26 1.08 -0.82 0.72 1.06 0.00 0.00 176.91 178.69 2qrm n HIS 767 N -3.42 0.00 -2.91 -0.22 8.25 -0.09 -4.43 115.22 112.40 2qrm n HIS 767 Ca -0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.30 2qrm n HIS 767 Cb 0.98 0.00 0.02 0.00 1.12 0.00 0.00 29.99 32.11 2qrm n HIS 767 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2qrm n HIS 768 N -1.64 -0.38 -3.09 4.41 -0.00 -0.54 -5.04 115.22 108.93 2qrm n HIS 768 Ca 0.00 -3.03 -0.44 0.00 -0.00 0.00 0.00 57.72 54.25 2qrm n HIS 768 Cb 0.34 0.17 -0.05 0.00 -0.00 0.00 0.00 29.99 30.45 2qrm n HIS 768 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2qrm s ASP 769 N -2.28 6.21 0.42 4.39 2.15 -0.81 -4.85 116.67 121.91 2qrm s ASP 769 Ca 0.31 -1.06 0.30 0.00 0.43 0.00 0.00 52.55 52.53 2qrm s ASP 769 Cb 0.38 -2.32 1.42 0.00 -0.30 0.00 0.00 42.92 42.09 2qrm s ASP 769 CO -0.04 -1.04 1.89 0.03 -0.17 0.00 0.00 175.17 175.84 2qrm h ARG 770 N 9.13 0.00 -0.08 4.34 3.08 -1.97 -3.25 114.38 125.63 2qrm h ARG 770 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2qrm h ARG 770 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2qrm h ARG 770 CO 1.04 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 181.13 2qrm n PHE 771 N -2.61 0.10 -3.63 3.04 3.72 -1.26 -5.03 117.46 111.80 2qrm n PHE 771 Ca -0.00 -0.41 -0.21 0.00 -0.05 0.00 0.00 57.45 56.78 2qrm n PHE 771 Cb 0.16 -0.04 0.04 0.00 -0.94 0.00 0.00 39.48 38.71 2qrm n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2qrm n LYS 772 N -0.15 -4.72 -0.10 -1.08 5.02 -1.23 -4.72 118.16 111.17 2qrm n LYS 772 Ca 0.03 0.66 -0.06 0.00 -2.02 0.00 0.00 58.31 56.92 2qrm n LYS 772 Cb 0.26 -5.25 0.02 0.00 -0.02 0.00 0.00 35.03 30.04 2qrm n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2qrm h VAL 773 N -1.82 0.80 -0.31 -0.18 2.07 -1.94 -2.65 116.25 112.22 2qrm h VAL 773 Ca -0.61 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 2qrm h VAL 773 Cb 1.35 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2qrm h VAL 773 CO 0.54 0.03 0.02 -0.26 0.02 0.00 0.00 177.57 177.93 2qrm h PHE 774 N 0.16 0.47 0.00 1.57 0.05 -1.91 -2.96 116.94 114.32 2qrm h PHE 774 Ca 0.17 -0.04 -0.03 0.00 3.82 0.00 0.00 57.97 61.89 2qrm h PHE 774 Cb 0.20 -0.14 -0.00 0.00 2.00 0.00 0.00 35.95 38.01 2qrm h PHE 774 CO -0.20 0.45 -0.14 0.00 -0.18 0.00 0.00 178.31 178.24 2qrm h ALA 775 N 1.58 1.54 -0.10 2.45 0.00 -1.85 -2.44 119.26 120.44 2qrm h ALA 775 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qrm h ALA 775 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2qrm h ALA 775 CO 0.00 0.18 0.00 -0.25 0.00 0.00 0.00 179.25 179.18 2qrm n ASP 776 N -4.04 2.84 0.18 0.00 8.00 -1.13 -4.71 116.55 117.69 2qrm n ASP 776 Ca -0.02 -1.88 -0.14 0.00 0.71 0.00 0.00 54.79 53.45 2qrm n ASP 776 Cb 0.23 -0.05 -0.08 0.00 -0.02 0.00 0.00 41.12 41.20 2qrm n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2qrm h TYR 777 N 4.03 -0.42 0.03 1.24 5.03 -1.38 -1.37 116.97 124.13 2qrm h TYR 777 Ca 0.00 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 2qrm h TYR 777 Cb 0.87 0.15 0.00 0.00 1.55 0.00 0.00 36.73 39.30 2qrm h TYR 777 CO 0.05 -0.25 -0.01 0.93 -1.32 0.00 0.00 178.16 177.55 2qrm h GLU 778 N -0.42 -0.03 -0.47 1.82 5.08 -1.84 -1.34 114.58 117.38 2qrm h GLU 778 Ca -0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2qrm h GLU 778 Cb 0.34 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2qrm h GLU 778 CO 0.04 -0.02 0.12 0.93 -1.00 0.00 0.00 179.01 179.08 2qrm h GLU 779 N -0.04 0.70 0.01 2.33 5.08 -1.88 -1.83 114.58 118.95 2qrm h GLU 779 Ca -0.00 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2qrm h GLU 779 Cb 0.03 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2qrm h GLU 779 CO 0.01 0.63 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.72 2qrm h TYR 780 N 0.68 -0.01 -0.51 4.33 3.20 -0.97 -0.64 116.97 123.04 2qrm h TYR 780 Ca 0.15 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 2qrm h TYR 780 Cb 0.25 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 2qrm h TYR 780 CO 0.01 0.17 0.32 0.28 -1.64 0.00 0.00 178.16 177.29 2qrm h VAL 781 N -0.19 1.15 -0.46 1.81 2.07 -1.13 -0.93 116.25 118.59 2qrm h VAL 781 Ca -0.00 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.23 2qrm h VAL 781 Cb 0.18 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 2qrm h VAL 781 CO 0.00 0.15 0.24 0.50 0.02 0.00 0.00 177.57 178.48 2qrm h LYS 782 N 0.69 0.47 -0.80 1.57 1.63 -1.30 -2.18 116.57 116.65 2qrm h LYS 782 Ca 0.18 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.91 2qrm h LYS 782 Cb -0.03 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.46 2qrm h LYS 782 CO -0.04 0.31 0.32 0.00 -3.45 0.00 0.00 179.45 176.59 2qrm h GLN 784 N 1.16 0.28 -0.48 0.00 1.08 -0.79 -1.89 115.11 114.47 2qrm h GLN 784 Ca 0.27 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.34 2qrm h GLN 784 Cb 0.21 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 2qrm h GLN 784 CO -0.02 0.28 -0.05 0.93 -0.95 0.00 0.00 178.83 179.01 2qrm h GLU 785 N 0.28 0.84 -0.17 1.46 5.08 -0.94 -2.21 114.58 118.92 2qrm h GLU 785 Ca 0.07 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.08 2qrm h GLU 785 Cb 0.14 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2qrm h GLU 785 CO -0.00 0.87 -0.30 0.00 -1.00 0.00 0.00 179.01 178.58 2qrm h ARG 786 N 0.77 0.33 -0.12 2.33 3.08 -1.16 -1.54 114.38 118.06 2qrm h ARG 786 Ca 0.14 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2qrm h ARG 786 Cb 0.54 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2qrm h ARG 786 CO 0.03 0.61 0.05 0.28 -1.07 0.00 0.00 179.97 179.86 2qrm h VAL 787 N 0.29 1.16 -0.84 2.04 2.07 -1.13 -2.25 116.25 117.59 2qrm h VAL 787 Ca 0.04 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 2qrm h VAL 787 Cb 0.68 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 2qrm h VAL 787 CO 0.05 0.14 0.42 0.28 0.02 0.00 0.00 177.57 178.48 2qrm h SER 788 N 0.04 1.09 -0.37 0.57 0.02 -1.24 -1.46 113.55 112.19 2qrm h SER 788 Ca 0.04 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2qrm h SER 788 Cb 0.18 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 2qrm h SER 788 CO -0.00 0.91 0.22 0.00 -1.14 0.00 0.00 176.83 176.81 2qrm h ALA 789 N 1.26 0.47 -0.31 3.77 0.00 -1.22 -2.67 119.26 120.56 2qrm h ALA 789 Ca 0.29 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 2qrm h ALA 789 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2qrm h ALA 789 CO -0.04 -0.13 -0.24 1.25 0.00 0.00 0.00 179.25 180.09 2qrm h LEU 790 N 0.44 0.62 -1.67 0.00 6.46 -1.08 -2.97 115.31 117.11 2qrm h LEU 790 Ca 0.15 -0.22 -0.04 0.00 -0.12 0.00 0.00 57.88 57.65 2qrm h LEU 790 Cb 0.01 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 2qrm h LEU 790 CO -0.07 0.85 -0.19 0.22 -0.62 0.00 0.00 178.44 178.63 2qrm h TYR 791 N 0.54 0.00 0.00 1.25 3.20 -1.03 -1.51 116.97 119.42 2qrm h TYR 791 Ca 0.08 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2qrm h TYR 791 Cb 0.70 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.97 2qrm h TYR 791 CO 0.03 0.19 0.00 0.87 -1.64 0.00 0.00 178.16 177.61 2qrm h LYS 792 N 0.00 0.00 -3.28 1.82 1.57 -1.31 -3.33 116.57 112.04 2qrm h LYS 792 Ca -0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 2qrm h LYS 792 Cb 0.44 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.36 2qrm h LYS 792 CO 0.02 0.00 -0.39 1.21 -0.57 0.00 0.00 179.45 179.72 2qrm s ASN 793 N -4.84 5.20 0.28 0.86 3.84 -0.57 -4.99 114.94 114.73 2qrm s ASN 793 Ca -0.02 -3.54 0.02 0.00 0.21 0.00 0.00 52.86 49.53 2qrm s ASN 793 Cb 0.10 -1.76 0.69 0.00 -0.55 0.00 0.00 41.25 39.72 2qrm s ASN 793 CO 0.38 -0.18 1.66 -0.65 -2.79 0.00 0.00 177.10 175.52 2qrm h PRO 794 N 6.01 0.25 -0.42 0.43 0.11 -1.77 -0.69 132.00 135.92 2qrm h PRO 794 Ca 0.09 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 2qrm h PRO 794 Cb 0.82 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 2qrm h PRO 794 CO 0.76 0.17 0.15 -0.09 -0.21 0.00 0.00 178.00 178.77 2qrm h ARG 795 N 0.26 0.64 -0.01 1.05 2.43 -1.94 -1.68 114.38 115.13 2qrm h ARG 795 Ca 0.54 -0.13 -0.19 0.00 -0.81 0.00 0.00 59.98 59.39 2qrm h ARG 795 Cb 1.06 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 2qrm h ARG 795 CO -0.61 0.62 -0.83 0.93 -1.51 0.00 0.00 179.97 178.57 2qrm h GLU 796 N 0.54 0.21 0.03 0.20 4.39 -1.63 -1.52 114.58 116.80 2qrm h GLU 796 Ca 0.14 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.65 2qrm h GLU 796 Cb 0.23 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2qrm h GLU 796 CO -0.01 0.93 -0.19 2.35 -1.16 0.00 0.00 179.01 180.93 2qrm h TRP 797 N 0.12 -0.49 -0.45 4.33 2.91 -1.07 -2.37 115.95 118.93 2qrm h TRP 797 Ca -0.04 0.01 -0.07 0.00 1.13 0.00 0.00 58.89 59.93 2qrm h TRP 797 Cb 1.44 0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 30.28 2qrm h TRP 797 CO 0.03 -0.27 -0.00 1.15 -1.03 0.00 0.00 178.44 178.32 2qrm h THR 798 N -0.32 1.23 -0.72 2.65 2.02 -1.20 -1.25 112.91 115.32 2qrm h THR 798 Ca 0.05 -0.96 -0.05 0.00 0.77 0.00 0.00 66.41 66.22 2qrm h THR 798 Cb 0.38 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 2qrm h THR 798 CO -0.15 0.34 0.27 0.03 0.37 0.00 0.00 175.52 176.37 2qrm h ARG 799 N 0.69 1.08 -0.51 6.66 3.08 -1.21 0.03 114.38 124.20 2qrm h ARG 799 Ca 0.14 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 2qrm h ARG 799 Cb 0.43 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2qrm h ARG 799 CO 0.02 0.89 -0.10 1.98 -1.07 0.00 0.00 179.97 181.68 2qrm h MET 800 N 1.05 0.95 -0.31 0.04 4.05 -0.93 -2.31 114.93 117.46 2qrm h MET 800 Ca 0.24 -0.34 0.04 0.00 -0.28 0.00 0.00 59.70 59.36 2qrm h MET 800 Cb 0.22 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.92 2qrm h MET 800 CO -0.02 1.00 0.09 0.28 0.23 0.00 0.00 176.91 178.49 2qrm h VAL 801 N 0.85 0.89 -0.90 -5.77 2.07 -0.77 -2.18 116.25 110.43 2qrm h VAL 801 Ca 0.14 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.63 2qrm h VAL 801 Cb 0.64 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 2qrm h VAL 801 CO 0.04 0.04 0.59 0.40 0.02 0.00 0.00 177.57 178.66 2qrm h ILE 802 N 0.21 1.13 0.00 4.57 2.04 -0.71 -0.47 117.51 124.27 2qrm h ILE 802 Ca 0.14 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 2qrm h ILE 802 Cb 0.13 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 2qrm h ILE 802 CO -0.16 0.20 -0.22 0.03 0.00 0.00 0.00 178.15 177.99 2qrm h ARG 803 N 1.10 0.00 0.06 2.37 3.08 -1.01 -1.04 114.38 118.94 2qrm h ARG 803 Ca 0.37 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 2qrm h ARG 803 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2qrm h ARG 803 CO -0.12 0.22 -0.03 -0.91 -1.07 0.00 0.00 179.97 178.07 2qrm h ASN 804 N 0.00 -0.06 -0.70 7.04 2.35 -0.52 -3.20 115.58 120.49 2qrm h ASN 804 Ca -0.00 -0.57 0.10 0.00 -0.55 0.00 0.00 56.30 55.28 2qrm h ASN 804 Cb 0.56 0.02 -0.08 0.00 0.05 0.00 0.00 38.32 38.88 2qrm h ASN 804 CO 0.03 0.65 0.32 0.40 -1.65 0.00 0.00 177.43 177.17 2qrm h ILE 805 N -0.89 0.79 0.00 2.81 2.04 -1.19 -2.23 117.51 118.84 2qrm h ILE 805 Ca -0.01 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2qrm h ILE 805 Cb 0.63 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2qrm h ILE 805 CO 0.01 0.10 -0.12 0.00 0.00 0.00 0.00 178.15 178.14 2qrm h ALA 806 N 1.45 1.33 -0.29 1.87 0.00 -1.30 -2.67 119.26 119.65 2qrm h ALA 806 Ca 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2qrm h ALA 806 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2qrm h ALA 806 CO -0.30 0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.34 2qrm n THR 807 N -3.71 1.94 1.39 0.00 -2.24 -0.87 -2.21 114.28 108.58 2qrm n THR 807 Ca -0.02 -1.63 0.14 0.00 -2.27 0.00 0.00 64.05 60.27 2qrm n THR 807 Cb 0.23 -0.05 0.60 0.00 -2.10 0.00 0.00 70.33 69.01 2qrm n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2qrm n SER 808 N -0.20 0.48 -0.34 3.42 3.41 -1.01 -4.38 113.62 115.00 2qrm n SER 808 Ca 0.19 -0.56 0.12 0.00 -0.26 0.00 0.00 58.87 58.36 2qrm n SER 808 Cb 0.77 -0.07 0.32 0.00 -0.26 0.00 0.00 64.21 64.97 2qrm n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2qrm h GLY 809 N 4.96 1.65 1.63 5.00 0.00 -1.80 -1.41 103.07 113.11 2qrm h GLY 809 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.01 2qrm h GLY 809 CO 0.00 -0.00 0.15 1.70 0.00 0.00 0.00 176.54 178.39 2qrm h LYS 810 N 0.78 0.00 -0.62 4.80 3.64 -1.89 -2.69 116.57 120.59 2qrm h LYS 810 Ca 0.55 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 2qrm h LYS 810 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2qrm h LYS 810 CO -0.33 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.04 2qrm n PHE 811 N -3.64 1.11 -2.40 1.91 3.01 -0.53 -4.75 117.46 112.17 2qrm n PHE 811 Ca -0.00 -0.45 -0.41 0.00 1.01 0.00 0.00 57.45 57.60 2qrm n PHE 811 Cb 0.26 -0.19 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 2qrm n PHE 811 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2qrm s SER 812 N -0.80 7.11 0.26 4.37 0.15 -1.02 -0.88 113.70 122.90 2qrm s SER 812 Ca 0.38 2.16 0.22 0.00 0.70 0.00 0.00 55.95 59.41 2qrm s SER 812 Cb 0.25 -2.60 1.01 0.00 -1.71 0.00 0.00 66.02 62.96 2qrm s SER 812 CO 0.19 -0.37 1.66 -1.54 1.20 0.00 0.00 173.24 174.37 2qrm n SER 813 N 2.84 0.58 -0.27 5.45 3.41 -0.23 -1.63 113.62 123.76 2qrm n SER 813 Ca 0.05 0.69 -0.06 0.00 -0.26 0.00 0.00 58.87 59.30 2qrm n SER 813 Cb 0.45 -0.80 0.06 0.00 -0.26 0.00 0.00 64.21 63.66 2qrm n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2qrm h ASP 814 N 0.00 0.96 -0.03 4.04 3.32 -1.92 0.11 116.42 122.90 2qrm h ASP 814 Ca 0.00 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2qrm h ASP 814 Cb 0.20 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2qrm h ASP 814 CO 0.00 0.82 0.01 -0.09 -1.72 0.00 0.00 179.24 178.26 2qrm h ARG 815 N 1.03 0.04 -0.22 3.56 1.12 -1.63 -1.64 114.38 116.64 2qrm h ARG 815 Ca 0.25 -0.01 0.05 0.00 -1.11 0.00 0.00 59.98 59.17 2qrm h ARG 815 Cb 0.11 -0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 30.01 2qrm h ARG 815 CO -0.03 0.20 -0.14 1.15 -3.11 0.00 0.00 179.97 178.04 2qrm h THR 816 N -0.12 0.60 -0.49 0.20 2.02 -1.38 -2.20 112.91 111.53 2qrm h THR 816 Ca 0.01 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.08 2qrm h THR 816 Cb 0.17 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2qrm h THR 816 CO -0.00 0.00 -0.12 0.40 0.37 0.00 0.00 175.52 176.17 2qrm h ILE 817 N -0.12 1.26 -0.90 3.11 1.08 -0.97 -1.80 117.51 119.18 2qrm h ILE 817 Ca 0.12 -1.23 0.11 0.00 -0.39 0.00 0.00 64.86 63.46 2qrm h ILE 817 Cb 0.31 1.01 -0.07 0.00 -3.07 0.00 0.00 36.82 35.00 2qrm h ILE 817 CO -0.30 0.43 0.58 0.00 -0.69 0.00 0.00 178.15 178.17 2qrm h ALA 818 N 1.05 1.66 -0.13 1.87 0.00 -1.07 0.76 119.26 123.39 2qrm h ALA 818 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2qrm h ALA 818 Cb 0.64 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2qrm h ALA 818 CO 0.04 0.15 -0.25 1.96 0.00 0.00 0.00 179.25 181.15 2qrm h GLN 819 N 0.86 0.40 -0.44 0.00 4.20 -0.81 -1.76 115.11 117.56 2qrm h GLN 819 Ca 0.42 -0.25 0.07 0.00 0.06 0.00 0.00 58.65 58.95 2qrm h GLN 819 Cb 0.46 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.21 2qrm h GLN 819 CO -0.19 0.85 0.09 1.88 -0.67 0.00 0.00 178.83 180.80 2qrm h TYR 820 N -0.01 0.15 -0.29 2.96 0.05 -1.08 0.40 116.97 119.15 2qrm h TYR 820 Ca 0.01 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.83 2qrm h TYR 820 Cb 0.84 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.55 2qrm h TYR 820 CO 0.10 0.01 0.14 0.00 -1.05 0.00 0.00 178.16 177.36 2qrm h ALA 821 N 1.33 0.35 0.16 3.88 0.00 -0.78 -0.15 119.26 124.06 2qrm h ALA 821 Ca 0.21 0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.84 2qrm h ALA 821 Cb 0.27 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2qrm h ALA 821 CO -0.28 -0.25 -1.33 0.00 0.00 0.00 0.00 179.25 177.39 2qrm h ARG 822 N 0.30 0.34 0.00 0.00 3.08 -1.20 0.11 114.38 117.01 2qrm h ARG 822 Ca 0.12 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2qrm h ARG 822 Cb 0.04 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2qrm h ARG 822 CO -0.08 1.27 -1.84 0.39 -1.07 0.00 0.00 179.97 178.64 2qrm n GLU 823 N -3.58 0.58 0.00 0.04 1.02 0.12 -4.36 120.64 114.47 2qrm n GLU 823 Ca -0.11 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 2qrm n GLU 823 Cb 1.05 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 2qrm n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2qrm n ILE 824 N -2.19 0.09 0.14 -3.67 5.41 -0.23 -4.87 119.36 114.05 2qrm n ILE 824 Ca -0.03 0.03 0.10 0.00 1.00 0.00 0.00 62.75 63.85 2qrm n ILE 824 Cb 0.54 -1.48 0.06 0.00 -0.71 0.00 0.00 39.64 38.05 2qrm n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2qrm h TRP 825 N 0.00 0.00 -3.48 1.39 6.55 -1.13 -3.48 115.95 115.80 2qrm h TRP 825 Ca 0.00 0.00 -0.20 0.00 0.95 0.00 0.00 58.89 59.64 2qrm h TRP 825 Cb 0.90 0.00 0.07 0.00 -0.86 0.00 0.00 29.16 29.28 2qrm h TRP 825 CO 0.00 0.10 -0.35 0.41 -1.05 0.00 0.00 178.44 177.56 2qrm n GLY 826 N 1.17 0.19 3.15 1.49 0.00 0.17 -4.94 105.19 106.42 2qrm n GLY 826 Ca 0.01 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 2qrm n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qrm s VAL 827 N -3.16 1.05 -0.21 1.61 -7.23 -0.04 -5.02 120.40 107.39 2qrm s VAL 827 Ca 0.29 -1.21 -0.13 0.00 -1.81 0.00 0.00 61.98 59.12 2qrm s VAL 827 Cb -0.13 -1.01 -0.05 0.00 0.56 0.00 0.00 36.38 35.76 2qrm s VAL 827 CO 0.37 -0.19 0.26 -1.61 -0.31 0.00 0.00 175.10 173.62 2qrm s GLU 828 N -1.58 4.14 0.82 4.82 0.41 -1.26 -3.53 118.70 122.51 2qrm s GLU 828 Ca -0.02 -0.06 -0.11 0.00 -0.41 0.00 0.00 54.97 54.37 2qrm s GLU 828 Cb -0.09 -3.52 0.09 0.00 -1.78 0.00 0.00 34.13 28.83 2qrm s GLU 828 CO 0.02 0.06 1.14 -1.25 -0.49 0.00 0.00 175.26 174.74 2qrm s PRO 829 N 1.04 1.72 -0.08 0.39 0.04 -1.26 -4.94 135.00 131.90 2qrm s PRO 829 Ca 0.13 1.47 -0.03 0.00 0.04 0.00 0.00 61.00 62.60 2qrm s PRO 829 Cb -0.14 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.63 2qrm s PRO 829 CO 0.05 -2.10 0.17 0.45 0.04 0.00 0.00 177.00 175.61 2qrm s SER 830 N -2.75 -0.15 -0.00 6.66 0.15 0.40 -5.02 113.70 112.99 2qrm s SER 830 Ca 0.67 0.35 0.19 0.00 0.70 0.00 0.00 55.95 57.86 2qrm s SER 830 Cb -0.22 0.24 0.55 0.00 -1.71 0.00 0.00 66.02 64.88 2qrm s SER 830 CO 0.54 -0.15 1.46 0.54 1.20 0.00 0.00 173.24 176.82 2qrm n ARG 831 N 4.19 2.43 -2.46 5.44 5.12 -1.26 -3.24 116.66 126.89 2qrm n ARG 831 Ca -0.26 -2.23 -0.41 0.00 -1.93 0.00 0.00 57.85 53.02 2qrm n ARG 831 Cb 0.52 -1.48 -0.04 0.00 -1.16 0.00 0.00 32.46 30.30 2qrm n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2qrm s GLN 832 N -1.18 4.56 0.36 5.56 -0.21 -1.26 -5.01 119.66 122.48 2qrm s GLN 832 Ca 0.41 1.78 -0.27 0.00 0.02 0.00 0.00 55.36 57.30 2qrm s GLN 832 Cb 0.22 -3.25 -0.09 0.00 1.00 0.00 0.00 33.01 30.88 2qrm s GLN 832 CO 0.28 0.03 1.22 1.03 -2.12 0.00 0.00 175.29 175.74 2qrm s ARG 833 N -0.46 4.24 0.38 2.91 3.00 -1.26 -4.96 118.95 122.80 2qrm s ARG 833 Ca 0.50 2.01 -0.16 0.00 0.00 0.00 0.00 55.73 58.07 2qrm s ARG 833 Cb -0.31 -2.91 -0.09 0.00 0.00 0.00 0.00 34.95 31.64 2qrm s ARG 833 CO 0.36 -0.21 0.82 -0.51 0.00 0.00 0.00 175.30 175.77 2qrm s LEU 834 N -2.07 3.97 0.28 2.53 1.43 -0.35 -5.04 118.68 119.43 2qrm s LEU 834 Ca 0.52 1.41 -0.30 0.00 -1.03 0.00 0.00 54.13 54.73 2qrm s LEU 834 Cb -0.35 -4.25 -0.12 0.00 0.03 0.00 0.00 46.19 41.50 2qrm s LEU 834 CO 0.45 -0.30 1.54 -0.81 0.23 0.00 0.00 176.35 177.46 2qrm n PRO 835 N -0.64 2.49 0.00 1.29 -0.04 -1.26 -4.61 135.00 132.23 2qrm n PRO 835 Ca 0.05 0.89 0.04 0.00 -0.04 0.00 0.00 63.50 64.43 2qrm n PRO 835 Cb 0.54 -2.63 0.23 0.00 -0.04 0.00 0.00 33.50 31.59 2qrm n PRO 835 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46