#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nmq h ASN 35 N 0.00 0.00 -3.93 -1.12 2.35 -1.97 -3.47 115.58 107.44 1nmq h ASN 35 Ca 0.00 -0.20 -0.68 0.00 -0.55 0.00 0.00 56.30 54.86 1nmq h ASN 35 Cb 0.00 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.15 1nmq h ASN 35 CO 0.00 0.10 -0.82 -0.94 -1.65 0.00 0.00 177.43 174.12 1nmq s SER 36 N -4.35 3.67 0.36 5.81 1.04 -1.26 -0.82 113.70 118.15 1nmq s SER 36 Ca 0.05 -0.53 -0.28 0.00 0.48 0.00 0.00 55.95 55.67 1nmq s SER 36 Cb 0.13 -0.49 -0.12 0.00 0.10 0.00 0.00 66.02 65.64 1nmq s SER 36 CO 0.74 0.22 1.39 -1.22 0.98 0.00 0.00 173.24 175.35 1nmq n TYR 37 N 1.27 2.65 -1.91 5.02 4.01 -0.51 -4.86 117.16 122.83 1nmq n TYR 37 Ca -0.16 0.50 -0.43 0.00 -0.16 0.00 0.00 57.90 57.65 1nmq n TYR 37 Cb 0.52 -2.48 -0.03 0.00 -0.31 0.00 0.00 39.34 37.05 1nmq n TYR 37 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1nmq s LYS 38 N -2.00 3.64 -0.20 -0.72 2.20 -1.26 -4.83 119.74 116.57 1nmq s LYS 38 Ca 0.54 1.88 0.12 0.00 -0.36 0.00 0.00 55.97 58.15 1nmq s LYS 38 Cb -0.52 -4.16 0.41 0.00 -1.51 0.00 0.00 37.83 32.05 1nmq s LYS 38 CO 0.63 -1.50 1.21 -1.33 -0.36 0.00 0.00 175.35 174.00 1nmq n MET 39 N 8.00 1.51 -0.44 4.03 2.81 -1.26 -4.68 117.12 127.09 1nmq n MET 39 Ca 0.22 -3.21 0.06 0.00 -1.81 0.00 0.00 57.70 52.96 1nmq n MET 39 Cb 0.45 -1.55 0.19 0.00 -0.71 0.00 0.00 33.22 31.60 1nmq n MET 39 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1nmq n ASP 40 N -1.08 2.11 -4.60 7.83 5.75 -1.26 -4.80 116.55 120.51 1nmq n ASP 40 Ca 0.18 -3.58 -0.29 0.00 -0.01 0.00 0.00 54.79 51.09 1nmq n ASP 40 Cb 0.70 -0.51 0.21 0.00 -1.03 0.00 0.00 41.12 40.49 1nmq n ASP 40 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1nmq s TYR 41 N -3.10 1.75 0.51 2.11 1.51 -1.26 -4.90 117.35 113.97 1nmq s TYR 41 Ca 0.37 1.16 0.30 0.00 -1.01 0.00 0.00 57.07 57.89 1nmq s TYR 41 Cb 0.34 -3.18 1.70 0.00 -0.11 0.00 0.00 41.96 40.71 1nmq s TYR 41 CO -0.02 -3.29 2.18 -1.35 -1.11 0.00 0.00 175.55 171.96 1nmq h PRO 42 N -2.20 0.00 -4.56 -1.71 0.11 -1.96 -3.42 132.00 118.26 1nmq h PRO 42 Ca -0.57 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.12 1nmq h PRO 42 Cb 1.32 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.12 1nmq h PRO 42 CO 0.53 0.05 -0.79 -1.21 -0.21 0.00 0.00 178.00 176.38 1nmq s GLU 43 N -4.38 0.96 0.10 1.05 2.02 -0.94 -5.04 118.70 112.48 1nmq s GLU 43 Ca -0.04 -0.30 -0.22 0.00 0.02 0.00 0.00 54.97 54.44 1nmq s GLU 43 Cb 0.14 -0.90 -0.11 0.00 0.10 0.00 0.00 34.13 33.36 1nmq s GLU 43 CO 0.55 0.10 1.73 0.52 0.02 0.00 0.00 175.26 178.19 1nmq h MET 44 N 6.43 0.02 0.00 1.61 2.86 -1.82 0.45 114.93 124.47 1nmq h MET 44 Ca -0.33 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1nmq h MET 44 Cb 1.17 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1nmq h MET 44 CO 0.49 0.01 0.00 0.41 1.06 0.00 0.00 176.91 178.88 1nmq n GLY 45 N -1.13 1.03 3.84 8.32 0.00 -1.26 0.20 105.19 116.19 1nmq n GLY 45 Ca -0.05 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 1nmq n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nmq s LEU 46 N 0.00 3.81 -0.34 0.99 1.43 -1.26 -1.01 118.68 122.30 1nmq s LEU 46 Ca 0.00 1.57 -0.00 0.00 -1.03 0.00 0.00 54.13 54.66 1nmq s LEU 46 Cb 0.00 -4.45 0.11 0.00 0.03 0.00 0.00 46.19 41.88 1nmq s LEU 46 CO 0.00 -0.44 0.14 0.00 0.23 0.00 0.00 176.35 176.28 1nmq s ILE 48 N 1.36 4.77 -0.29 0.00 -1.09 0.05 -1.93 121.20 124.06 1nmq s ILE 48 Ca 0.12 1.14 -0.06 0.00 -2.23 0.00 0.00 60.65 59.62 1nmq s ILE 48 Cb -0.19 -4.17 0.01 0.00 -1.58 0.00 0.00 42.46 36.53 1nmq s ILE 48 CO -0.18 -0.30 0.06 -0.63 -1.23 0.00 0.00 174.94 172.66 1nmq s ILE 49 N 3.01 3.77 -0.39 2.92 1.01 -0.82 0.28 121.20 130.98 1nmq s ILE 49 Ca 0.33 -0.79 -0.15 0.00 0.00 0.00 0.00 60.65 60.04 1nmq s ILE 49 Cb -0.14 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.38 1nmq s ILE 49 CO 0.14 0.08 0.33 -0.63 0.00 0.00 0.00 174.94 174.85 1nmq s ILE 50 N 1.46 5.21 -0.56 2.92 1.01 0.12 0.09 121.20 131.46 1nmq s ILE 50 Ca 0.02 -0.43 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 1nmq s ILE 50 Cb -0.17 -3.91 0.15 0.00 0.01 0.00 0.00 42.46 38.54 1nmq s ILE 50 CO 0.01 -0.26 0.37 0.21 0.00 0.00 0.00 174.94 175.27 1nmq s ASN 51 N 1.72 5.26 -0.32 3.58 2.47 0.13 -0.85 114.94 126.94 1nmq s ASN 51 Ca 0.08 -2.59 -0.18 0.00 0.42 0.00 0.00 52.86 50.59 1nmq s ASN 51 Cb -0.18 -1.85 -0.01 0.00 -1.45 0.00 0.00 41.25 37.76 1nmq s ASN 51 CO 0.11 -0.43 0.50 0.20 -3.72 0.00 0.00 177.10 173.77 1nmq s ASN 52 N 1.08 6.34 -0.12 -4.21 -0.87 -0.37 -0.86 114.94 115.94 1nmq s ASN 52 Ca 0.14 0.14 -0.03 0.00 -1.57 0.00 0.00 52.86 51.54 1nmq s ASN 52 Cb -0.21 -2.27 -0.06 0.00 -0.02 0.00 0.00 41.25 38.69 1nmq s ASN 52 CO -0.04 -0.41 -0.13 1.17 -2.57 0.00 0.00 177.10 175.13 1nmq n LYS 53 N 5.67 0.26 -4.42 -0.60 4.81 -1.26 -4.52 118.16 118.10 1nmq n LYS 53 Ca -0.05 0.09 -0.34 0.00 -0.87 0.00 0.00 58.31 57.15 1nmq n LYS 53 Cb 0.49 -1.05 -0.14 0.00 0.02 0.00 0.00 35.03 34.36 1nmq n LYS 53 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1nmq s ASN 54 N -5.65 4.33 0.30 3.14 0.01 -1.26 -0.78 114.94 115.03 1nmq s ASN 54 Ca -0.16 -0.29 0.09 0.00 -0.71 0.00 0.00 52.86 51.79 1nmq s ASN 54 Cb 0.05 -1.70 -0.04 0.00 0.41 0.00 0.00 41.25 39.97 1nmq s ASN 54 CO 0.23 0.11 0.10 -0.36 -1.51 0.00 0.00 177.10 175.67 1nmq s PHE 55 N 0.67 2.77 0.25 2.20 0.40 -1.26 -4.78 117.98 118.23 1nmq s PHE 55 Ca -0.04 -0.27 -0.30 0.00 -0.60 0.00 0.00 56.93 55.72 1nmq s PHE 55 Cb -0.15 -1.42 -0.10 0.00 0.51 0.00 0.00 43.02 41.86 1nmq s PHE 55 CO 0.02 0.48 1.37 -1.01 0.70 0.00 0.00 175.22 176.79 1nmq s HIS 56 N -2.33 3.11 0.48 0.36 3.76 -0.28 -4.87 115.29 115.50 1nmq s HIS 56 Ca 0.34 1.15 0.14 0.00 -0.15 0.00 0.00 55.06 56.55 1nmq s HIS 56 Cb -0.05 -3.72 1.13 0.00 1.11 0.00 0.00 32.58 31.04 1nmq s HIS 56 CO 0.22 -2.27 2.08 0.87 -0.85 0.00 0.00 174.74 174.78 1nmq h LYS 57 N 4.88 0.22 -0.05 1.40 6.56 -1.91 0.02 116.57 127.70 1nmq h LYS 57 Ca -0.46 -0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.13 1nmq h LYS 57 Cb 1.22 -0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 32.83 1nmq h LYS 57 CO 0.76 0.15 0.38 0.77 -2.06 0.00 0.00 179.45 179.44 1nmq h SER 58 N 0.23 0.00 0.82 0.86 0.02 -1.95 0.32 113.55 113.85 1nmq h SER 58 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1nmq h SER 58 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1nmq h SER 58 CO -0.02 0.00 -1.15 0.35 -1.14 0.00 0.00 176.83 174.87 1nmq n THR 59 N -2.96 0.50 -2.84 -2.27 -2.24 -0.01 -4.99 114.28 99.49 1nmq n THR 59 Ca -0.01 -0.52 -0.11 0.00 -2.27 0.00 0.00 64.05 61.14 1nmq n THR 59 Cb 0.44 -0.26 0.05 0.00 -2.10 0.00 0.00 70.33 68.46 1nmq n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nmq n GLY 60 N 1.20 -0.17 2.98 3.38 0.00 0.10 -5.04 105.19 107.64 1nmq n GLY 60 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1nmq n GLY 60 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1nmq s MET 61 N -4.60 1.18 0.67 1.61 -1.94 -1.26 -5.14 119.30 109.83 1nmq s MET 61 Ca 0.08 -0.29 -0.13 0.00 -1.71 0.00 0.00 55.69 53.65 1nmq s MET 61 Cb -0.01 -1.06 0.00 0.00 2.01 0.00 0.00 34.83 35.77 1nmq s MET 61 CO 0.47 0.03 1.08 0.95 -0.01 0.00 0.00 175.02 177.54 1nmq s THR 62 N 0.55 3.64 0.49 2.05 -4.23 -1.26 -4.56 115.64 112.32 1nmq s THR 62 Ca -0.10 0.65 -0.23 0.00 -1.18 0.00 0.00 61.69 60.83 1nmq s THR 62 Cb -0.13 -3.22 -0.07 0.00 1.34 0.00 0.00 72.50 70.42 1nmq s THR 62 CO 0.02 -0.58 1.30 -0.44 -0.54 0.00 0.00 174.62 174.37 1nmq s SER 63 N -3.15 5.76 -1.22 3.99 0.01 -1.26 -4.73 113.70 113.11 1nmq s SER 63 Ca 0.62 2.62 -0.07 0.00 1.31 0.00 0.00 55.95 60.44 1nmq s SER 63 Cb -0.17 -2.63 0.21 0.00 0.21 0.00 0.00 66.02 63.65 1nmq s SER 63 CO 0.47 -1.22 1.83 0.54 0.41 0.00 0.00 173.24 175.27 1nmq n ARG 64 N -0.60 4.11 -1.58 12.44 1.74 0.04 -4.99 116.66 127.82 1nmq n ARG 64 Ca 0.08 -3.87 -0.54 0.00 -0.77 0.00 0.00 57.85 52.75 1nmq n ARG 64 Cb 0.45 -2.74 -0.06 0.00 -1.02 0.00 0.00 32.46 29.09 1nmq n ARG 64 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1nmq n SER 65 N 2.62 1.36 0.00 0.55 7.64 -1.26 -1.53 113.62 123.00 1nmq n SER 65 Ca 0.39 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.40 1nmq n SER 65 Cb 0.33 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1nmq n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nmq n GLY 66 N 2.39 2.18 0.28 0.23 0.00 -1.20 -4.34 105.19 104.72 1nmq n GLY 66 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1nmq n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nmq h THR 67 N 0.00 0.47 -0.53 2.61 1.03 -1.61 -1.87 112.91 113.01 1nmq h THR 67 Ca 0.00 -0.38 -0.07 0.00 -0.01 0.00 0.00 66.41 65.95 1nmq h THR 67 Cb 0.00 1.25 -0.02 0.00 -1.07 0.00 0.00 68.15 68.31 1nmq h THR 67 CO 0.00 0.08 0.05 0.44 -0.01 0.00 0.00 175.52 176.08 1nmq h ASP 68 N 0.00 0.87 -0.92 0.00 3.32 -1.92 0.42 116.42 118.19 1nmq h ASP 68 Ca -0.00 -0.28 0.04 0.00 0.02 0.00 0.00 57.03 56.81 1nmq h ASP 68 Cb 0.25 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.51 1nmq h ASP 68 CO 0.01 0.93 0.60 0.58 -1.72 0.00 0.00 179.24 179.64 1nmq h VAL 69 N 0.78 1.14 -0.10 -1.35 2.07 -1.71 0.35 116.25 117.43 1nmq h VAL 69 Ca 0.16 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1nmq h VAL 69 Cb 0.45 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1nmq h VAL 69 CO 0.02 0.21 0.01 0.44 0.02 0.00 0.00 177.57 178.27 1nmq h ASP 70 N 1.14 -0.01 -0.55 0.57 3.32 -1.16 -1.50 116.42 118.23 1nmq h ASP 70 Ca 0.37 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.48 1nmq h ASP 70 Cb 0.04 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1nmq h ASP 70 CO -0.13 0.01 0.30 0.00 -1.72 0.00 0.00 179.24 177.71 1nmq h ALA 71 N 1.07 0.71 -0.24 3.45 0.00 -0.25 -1.00 119.26 123.00 1nmq h ALA 71 Ca 0.04 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1nmq h ALA 71 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1nmq h ALA 71 CO -0.06 -0.02 -0.34 0.00 0.00 0.00 0.00 179.25 178.83 1nmq h ALA 72 N 1.28 0.95 -0.39 0.00 0.00 -0.74 -1.79 119.26 118.56 1nmq h ALA 72 Ca 0.24 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1nmq h ALA 72 Cb 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1nmq h ALA 72 CO -0.14 0.61 -0.17 -0.97 0.00 0.00 0.00 179.25 178.59 1nmq h ASN 73 N 0.45 0.82 -0.58 0.00 -1.24 -0.78 -2.14 115.58 112.11 1nmq h ASN 73 Ca 0.05 -0.40 -0.10 0.00 0.71 0.00 0.00 56.30 56.57 1nmq h ASN 73 Cb 0.81 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.61 1nmq h ASN 73 CO 0.07 1.03 -0.01 -0.07 -1.29 0.00 0.00 177.43 177.16 1nmq h LEU 74 N 0.60 1.02 0.03 0.34 3.38 -1.02 -0.76 115.31 118.90 1nmq h LEU 74 Ca 0.09 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1nmq h LEU 74 Cb 0.71 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1nmq h LEU 74 CO 0.05 1.08 -0.02 -0.09 0.09 0.00 0.00 178.44 179.55 1nmq h ARG 75 N 0.95 -0.05 -0.37 1.13 2.43 -1.23 0.39 114.38 117.63 1nmq h ARG 75 Ca 0.17 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.20 1nmq h ARG 75 Cb 0.56 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1nmq h ARG 75 CO 0.03 -0.03 -0.35 1.49 -1.51 0.00 0.00 179.97 179.60 1nmq h GLU 76 N -0.05 0.85 -0.29 0.20 4.57 -1.29 -0.56 114.58 118.01 1nmq h GLU 76 Ca 0.00 -0.42 -0.05 0.00 -1.18 0.00 0.00 59.36 57.71 1nmq h GLU 76 Cb 0.05 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1nmq h GLU 76 CO -0.00 1.06 -0.02 1.15 -1.18 0.00 0.00 179.01 180.02 1nmq h THR 77 N 0.71 1.27 0.00 0.32 2.02 -0.94 -2.06 112.91 114.22 1nmq h THR 77 Ca 0.07 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.24 1nmq h THR 77 Cb 0.91 1.34 -0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1nmq h THR 77 CO 0.08 0.31 -0.14 -0.26 0.37 0.00 0.00 175.52 175.88 1nmq h PHE 78 N 0.30 0.00 -0.48 3.16 0.04 -0.11 -2.72 116.94 117.13 1nmq h PHE 78 Ca 0.08 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.72 1nmq h PHE 78 Cb 0.47 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1nmq h PHE 78 CO 0.04 0.14 -0.21 -0.09 -0.60 0.00 0.00 178.31 177.59 1nmq h ARG 79 N 0.00 0.98 0.00 1.51 2.43 -0.88 -1.50 114.38 116.91 1nmq h ARG 79 Ca -0.00 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1nmq h ARG 79 Cb 0.85 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1nmq h ARG 79 CO 0.02 1.09 0.00 -0.91 -1.51 0.00 0.00 179.97 178.66 1nmq h ASN 80 N 0.85 0.00 0.33 -3.80 2.35 -1.07 -2.01 115.58 112.23 1nmq h ASN 80 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1nmq h ASN 80 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.16 1nmq h ASN 80 CO 0.07 0.00 -0.07 0.18 -1.65 0.00 0.00 177.43 175.95 1nmq n LEU 81 N -2.85 0.39 0.00 1.61 4.77 -0.87 -4.91 117.00 115.14 1nmq n LEU 81 Ca 0.02 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1nmq n LEU 81 Cb 0.34 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1nmq n LEU 81 CO 0.27 0.07 0.00 0.29 -1.33 0.00 0.00 177.39 176.69 1nmq n LYS 82 N -0.96 0.00 -3.56 3.23 4.76 -0.75 -4.96 118.16 115.92 1nmq n LYS 82 Ca 0.16 0.04 -0.34 0.00 -2.87 0.00 0.00 58.31 55.30 1nmq n LYS 82 Cb 0.25 -3.07 -0.05 0.00 -1.84 0.00 0.00 35.03 30.32 1nmq n LYS 82 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1nmq s TYR 83 N -2.00 3.57 -0.51 2.13 1.51 -0.62 -4.11 117.35 117.32 1nmq s TYR 83 Ca 0.00 0.79 -0.29 0.00 -1.01 0.00 0.00 57.07 56.56 1nmq s TYR 83 Cb 0.00 -2.16 0.03 0.00 -0.11 0.00 0.00 41.96 39.72 1nmq s TYR 83 CO 0.00 0.49 1.19 -2.00 -1.11 0.00 0.00 175.55 174.12 1nmq s GLU 84 N -2.03 3.63 -0.16 -0.62 2.12 -0.18 -4.52 118.70 116.93 1nmq s GLU 84 Ca 0.35 0.48 -0.14 0.00 0.36 0.00 0.00 54.97 56.02 1nmq s GLU 84 Cb -0.14 -3.96 -0.05 0.00 0.26 0.00 0.00 34.13 30.25 1nmq s GLU 84 CO 0.19 -1.52 0.32 0.08 -0.54 0.00 0.00 175.26 173.79 1nmq s VAL 85 N 4.76 5.29 -0.22 3.70 1.01 -1.26 -0.76 120.40 132.92 1nmq s VAL 85 Ca 0.47 0.59 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1nmq s VAL 85 Cb -0.08 -3.65 0.06 0.00 0.00 0.00 0.00 36.38 32.71 1nmq s VAL 85 CO 0.30 0.37 -0.05 -0.13 0.00 0.00 0.00 175.10 175.59 1nmq s ARG 86 N 0.56 1.53 0.17 2.72 0.52 -0.81 -4.97 118.95 118.67 1nmq s ARG 86 Ca 0.17 -0.88 -0.22 0.00 -0.52 0.00 0.00 55.73 54.28 1nmq s ARG 86 Cb -0.13 -2.48 -0.08 0.00 0.52 0.00 0.00 34.95 32.78 1nmq s ARG 86 CO 0.05 -0.58 0.72 -0.80 0.02 0.00 0.00 175.30 174.71 1nmq s ASN 87 N 1.47 7.20 -0.08 0.23 -0.87 -1.26 -1.94 114.94 119.68 1nmq s ASN 87 Ca -0.04 1.49 -0.02 0.00 -1.57 0.00 0.00 52.86 52.72 1nmq s ASN 87 Cb -0.18 -2.44 0.03 0.00 -0.02 0.00 0.00 41.25 38.64 1nmq s ASN 87 CO -0.07 0.15 0.02 -0.54 -2.57 0.00 0.00 177.10 174.09 1nmq s LYS 88 N -1.47 0.50 -0.16 -0.60 -0.14 0.11 -4.94 119.74 113.04 1nmq s LYS 88 Ca 0.37 0.08 -0.08 0.00 -1.36 0.00 0.00 55.97 54.99 1nmq s LYS 88 Cb -0.20 -1.07 -0.04 0.00 -1.68 0.00 0.00 37.83 34.84 1nmq s LYS 88 CO 0.23 -0.36 0.10 -0.80 -0.76 0.00 0.00 175.35 173.76 1nmq s ASN 89 N 1.99 5.99 -0.86 2.83 -0.87 -1.26 0.21 114.94 122.97 1nmq s ASN 89 Ca 0.04 0.25 -0.04 0.00 -1.57 0.00 0.00 52.86 51.54 1nmq s ASN 89 Cb -0.13 -1.98 -0.01 0.00 -0.02 0.00 0.00 41.25 39.11 1nmq s ASN 89 CO -0.05 0.27 0.71 0.47 -2.57 0.00 0.00 177.10 175.92 1nmq n ASP 90 N 2.92 -6.46 -4.89 -1.22 8.00 -0.04 -4.95 116.55 109.92 1nmq n ASP 90 Ca -0.18 -0.54 -0.33 0.00 0.71 0.00 0.00 54.79 54.45 1nmq n ASP 90 Cb 0.53 -3.95 -0.05 0.00 -0.02 0.00 0.00 41.12 37.63 1nmq n ASP 90 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1nmq s LEU 91 N -4.82 4.33 0.64 0.64 1.43 -1.26 -4.88 118.68 114.75 1nmq s LEU 91 Ca 0.12 0.59 -0.09 0.00 -1.03 0.00 0.00 54.13 53.72 1nmq s LEU 91 Cb -0.04 -2.98 -0.00 0.00 0.03 0.00 0.00 46.19 43.20 1nmq s LEU 91 CO 0.81 0.16 1.00 0.42 0.23 0.00 0.00 176.35 178.98 1nmq s THR 92 N -1.46 3.92 0.23 5.49 -4.23 -1.26 -0.91 115.64 117.41 1nmq s THR 92 Ca 0.34 0.42 -0.08 0.00 -1.18 0.00 0.00 61.69 61.19 1nmq s THR 92 Cb -0.13 -3.59 0.22 0.00 1.34 0.00 0.00 72.50 70.34 1nmq s THR 92 CO 0.20 -0.72 1.67 0.08 -0.54 0.00 0.00 174.62 175.32 1nmq h ARG 93 N -0.38 0.19 -0.28 3.99 0.11 -1.85 0.70 114.38 116.86 1nmq h ARG 93 Ca -0.45 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 59.62 1nmq h ARG 93 Cb 1.24 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 1nmq h ARG 93 CO 0.62 0.12 0.17 0.93 0.10 0.00 0.00 179.97 181.92 1nmq h GLU 94 N 0.19 0.37 -0.25 0.08 3.07 -1.94 -2.13 114.58 113.97 1nmq h GLU 94 Ca 0.37 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.19 1nmq h GLU 94 Cb 0.61 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 1nmq h GLU 94 CO -0.52 0.28 0.12 0.93 -1.40 0.00 0.00 179.01 178.41 1nmq h GLU 95 N 0.36 0.34 -0.05 2.33 5.08 -1.30 -0.42 114.58 120.92 1nmq h GLU 95 Ca 0.10 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1nmq h GLU 95 Cb -0.00 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1nmq h GLU 95 CO -0.02 0.27 -0.07 0.82 -1.00 0.00 0.00 179.01 179.02 1nmq h ILE 96 N 0.35 1.39 -0.38 3.13 2.04 -0.67 0.17 117.51 123.54 1nmq h ILE 96 Ca 0.09 -1.27 0.04 0.00 1.00 0.00 0.00 64.86 64.72 1nmq h ILE 96 Cb 0.04 2.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 1nmq h ILE 96 CO -0.01 0.35 0.16 0.58 0.00 0.00 0.00 178.15 179.23 1nmq h VAL 97 N -0.33 0.93 -0.72 1.67 2.07 -1.06 -1.17 116.25 117.65 1nmq h VAL 97 Ca 0.01 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1nmq h VAL 97 Cb 0.59 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1nmq h VAL 97 CO 0.02 0.06 0.40 -0.08 0.02 0.00 0.00 177.57 177.99 1nmq h GLU 98 N 0.34 1.00 -0.34 1.57 4.81 -1.01 0.23 114.58 121.17 1nmq h GLU 98 Ca 0.17 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1nmq h GLU 98 Cb 0.11 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1nmq h GLU 98 CO -0.15 0.74 0.15 1.25 -0.73 0.00 0.00 179.01 180.28 1nmq h LEU 99 N 1.00 0.46 -0.57 1.64 5.85 -0.25 -1.82 115.31 121.61 1nmq h LEU 99 Ca 0.26 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1nmq h LEU 99 Cb 0.03 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1nmq h LEU 99 CO -0.04 0.48 0.20 0.24 -0.34 0.00 0.00 178.44 178.98 1nmq h MET 100 N 0.41 0.88 0.12 1.25 2.86 -1.00 -0.91 114.93 118.54 1nmq h MET 100 Ca 0.11 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1nmq h MET 100 Cb 0.16 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1nmq h MET 100 CO -0.01 0.78 -0.08 -0.09 1.06 0.00 0.00 176.91 178.57 1nmq h ARG 101 N 0.80 -0.20 -0.58 1.72 2.43 -0.77 0.21 114.38 117.99 1nmq h ARG 101 Ca 0.19 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1nmq h ARG 101 Cb 0.26 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1nmq h ARG 101 CO -0.01 -0.13 0.38 -0.44 -1.51 0.00 0.00 179.97 178.26 1nmq h ASP 102 N -0.21 0.65 -0.45 -3.80 5.19 -1.21 -1.62 116.42 114.97 1nmq h ASP 102 Ca -0.01 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.33 1nmq h ASP 102 Cb 0.18 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.51 1nmq h ASP 102 CO 0.00 0.47 0.06 0.58 -3.12 0.00 0.00 179.24 177.23 1nmq h VAL 103 N 0.77 1.24 0.00 -1.35 2.07 -0.92 -0.66 116.25 117.39 1nmq h VAL 103 Ca 0.22 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1nmq h VAL 103 Cb -0.06 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1nmq h VAL 103 CO -0.06 0.33 0.00 0.77 0.02 0.00 0.00 177.57 178.63 1nmq h SER 104 N 0.78 0.00 -0.00 0.57 4.64 -0.22 -2.59 113.55 116.74 1nmq h SER 104 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1nmq h SER 104 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1nmq h SER 104 CO 0.01 0.00 -0.02 0.29 -0.87 0.00 0.00 176.83 176.24 1nmq n LYS 105 N -2.87 1.69 -1.58 4.77 5.02 -0.28 -4.81 118.16 120.10 1nmq n LYS 105 Ca 0.01 -1.04 -0.30 0.00 -2.02 0.00 0.00 58.31 54.95 1nmq n LYS 105 Cb 0.26 -1.48 0.07 0.00 -0.02 0.00 0.00 35.03 33.86 1nmq n LYS 105 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1nmq s GLU 106 N -2.03 2.48 -0.54 1.97 2.02 -0.98 -4.99 118.70 116.63 1nmq s GLU 106 Ca 0.36 0.76 -0.22 0.00 0.02 0.00 0.00 54.97 55.89 1nmq s GLU 106 Cb 0.21 -1.95 0.05 0.00 0.10 0.00 0.00 34.13 32.54 1nmq s GLU 106 CO 0.34 -1.37 0.81 0.34 0.02 0.00 0.00 175.26 175.40 1nmq s ASP 107 N -3.89 6.28 0.00 -0.19 2.15 -1.26 -4.87 116.67 114.89 1nmq s ASP 107 Ca 0.59 -0.65 0.19 0.00 0.43 0.00 0.00 52.55 53.12 1nmq s ASP 107 Cb -0.14 -2.37 0.53 0.00 -0.30 0.00 0.00 42.92 40.64 1nmq s ASP 107 CO 0.54 -1.10 1.44 1.41 -0.17 0.00 0.00 175.17 177.30 1nmq n HIS 108 N 6.91 0.66 -0.35 -5.34 8.25 -1.26 -4.56 115.22 119.54 1nmq n HIS 108 Ca -0.02 -0.33 0.25 0.00 -0.26 0.00 0.00 57.72 57.36 1nmq n HIS 108 Cb 0.46 0.00 0.50 0.00 1.12 0.00 0.00 29.99 32.07 1nmq n HIS 108 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1nmq h SER 109 N 3.50 0.49 -0.35 0.41 0.02 -1.90 0.46 113.55 116.17 1nmq h SER 109 Ca 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1nmq h SER 109 Cb 0.79 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1nmq h SER 109 CO 0.00 -0.12 0.00 0.29 -1.14 0.00 0.00 176.83 175.86 1nmq n LYS 110 N -4.97 1.93 -4.27 3.45 5.02 -1.26 -4.89 118.16 113.16 1nmq n LYS 110 Ca 0.32 -1.44 -0.35 0.00 -2.02 0.00 0.00 58.31 54.82 1nmq n LYS 110 Cb 1.02 -1.35 -0.09 0.00 -0.02 0.00 0.00 35.03 34.59 1nmq n LYS 110 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1nmq s ARG 111 N -1.53 3.08 0.11 1.97 0.52 0.16 -2.21 118.95 121.06 1nmq s ARG 111 Ca 0.30 -0.35 -0.10 0.00 -0.52 0.00 0.00 55.73 55.06 1nmq s ARG 111 Cb 0.16 -2.88 -0.13 0.00 0.52 0.00 0.00 34.95 32.62 1nmq s ARG 111 CO 0.21 0.71 1.29 0.77 0.02 0.00 0.00 175.30 178.30 1nmq h SER 112 N 5.15 0.78 -1.00 0.23 0.02 0.73 -3.47 113.55 115.98 1nmq h SER 112 Ca -0.51 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 59.86 1nmq h SER 112 Cb 1.20 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1nmq h SER 112 CO 0.55 1.36 0.00 -1.54 -1.14 0.00 0.00 176.83 176.06 1nmq n SER 113 N -3.85 0.00 -3.68 3.07 3.41 0.13 -4.36 113.62 108.34 1nmq n SER 113 Ca -0.08 -0.66 -0.10 0.00 -0.26 0.00 0.00 58.87 57.77 1nmq n SER 113 Cb 0.80 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.65 1nmq n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1nmq s PHE 114 N -4.20 -0.67 -0.06 7.33 5.36 -0.80 -4.08 117.98 120.87 1nmq s PHE 114 Ca 0.00 1.35 0.04 0.00 -0.96 0.00 0.00 56.93 57.36 1nmq s PHE 114 Cb 0.00 0.26 -0.00 0.00 -0.34 0.00 0.00 43.02 42.94 1nmq s PHE 114 CO 0.00 -0.40 -0.18 0.08 -1.46 0.00 0.00 175.22 173.27 1nmq s VAL 115 N 1.95 1.50 -0.04 3.12 1.01 -0.47 0.85 120.40 128.32 1nmq s VAL 115 Ca -0.06 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1nmq s VAL 115 Cb -0.10 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 35.00 1nmq s VAL 115 CO -0.12 0.43 -0.05 0.00 0.00 0.00 0.00 175.10 175.36 1nmq s VAL 117 N 0.84 2.00 -0.27 0.00 1.01 0.14 -0.38 120.40 123.75 1nmq s VAL 117 Ca -0.12 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 60.88 1nmq s VAL 117 Cb -0.14 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1nmq s VAL 117 CO 0.00 0.54 0.04 -0.76 0.00 0.00 0.00 175.10 174.92 1nmq s LEU 118 N 1.04 3.58 -0.30 3.92 1.43 0.62 -0.70 118.68 128.26 1nmq s LEU 118 Ca -0.02 -0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 52.41 1nmq s LEU 118 Cb -0.14 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.29 1nmq s LEU 118 CO -0.07 -0.14 0.01 -0.76 0.23 0.00 0.00 176.35 175.62 1nmq s LEU 119 N 1.48 3.94 0.00 1.79 1.43 -0.03 -1.09 118.68 126.20 1nmq s LEU 119 Ca 0.03 -1.26 -0.23 0.00 -1.03 0.00 0.00 54.13 51.64 1nmq s LEU 119 Cb -0.17 -1.73 0.08 0.00 0.03 0.00 0.00 46.19 44.40 1nmq s LEU 119 CO 0.01 -0.27 1.04 -0.24 0.23 0.00 0.00 176.35 177.11 1nmq n SER 120 N 4.64 -1.10 -4.85 2.29 2.88 -0.89 -1.23 113.62 115.36 1nmq n SER 120 Ca -0.13 -1.32 -0.31 0.00 -1.33 0.00 0.00 58.87 55.79 1nmq n SER 120 Cb 0.43 1.72 0.04 0.00 -0.75 0.00 0.00 64.21 65.66 1nmq n SER 120 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1nmq s HIS 121 N -2.29 3.27 0.18 0.66 3.76 -1.26 -4.01 115.29 115.59 1nmq s HIS 121 Ca 0.24 1.24 -0.23 0.00 -0.15 0.00 0.00 55.06 56.17 1nmq s HIS 121 Cb -0.01 -2.92 0.07 0.00 1.11 0.00 0.00 32.58 30.83 1nmq s HIS 121 CO 0.00 -1.16 1.02 0.20 -0.85 0.00 0.00 174.74 173.96 1nmq s GLY 122 N -4.07 0.04 0.25 -2.22 0.00 -1.26 -1.05 107.32 99.02 1nmq s GLY 122 Ca 0.58 -0.24 0.01 0.00 0.00 0.00 0.00 44.72 45.07 1nmq s GLY 122 CO 0.54 1.81 0.20 -0.54 0.00 0.00 0.00 173.10 175.10 1nmq s GLU 123 N -2.40 1.41 -0.24 2.90 2.02 -0.63 -4.01 118.70 117.75 1nmq s GLU 123 Ca 0.20 -1.74 -0.40 0.00 0.02 0.00 0.00 54.97 53.05 1nmq s GLU 123 Cb -0.02 0.30 -0.16 0.00 0.10 0.00 0.00 34.13 34.35 1nmq s GLU 123 CO 0.05 -0.49 1.72 -1.91 0.02 0.00 0.00 175.26 174.64 1nmq n GLU 124 N -0.39 1.19 -0.96 1.61 4.07 -1.24 -0.11 120.64 124.82 1nmq n GLU 124 Ca 0.04 0.44 0.00 0.00 -0.06 0.00 0.00 57.16 57.57 1nmq n GLU 124 Cb 0.65 -2.12 0.00 0.00 -0.06 0.00 0.00 31.44 29.90 1nmq n GLU 124 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nmq n GLY 125 N 4.07 0.32 3.07 8.31 0.00 -1.26 -4.98 105.19 114.73 1nmq n GLY 125 Ca 0.26 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.09 1nmq n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nmq s ILE 126 N -1.75 0.86 -0.01 -0.61 1.01 0.85 -1.17 121.20 120.37 1nmq s ILE 126 Ca 0.00 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.02 1nmq s ILE 126 Cb 0.00 -0.76 -0.01 0.00 0.01 0.00 0.00 42.46 41.70 1nmq s ILE 126 CO 0.00 0.08 -0.18 -0.51 0.00 0.00 0.00 174.94 174.33 1nmq s ILE 127 N -0.57 1.40 -0.18 2.92 1.10 0.15 -2.08 121.20 123.94 1nmq s ILE 127 Ca 0.01 -0.75 -0.15 0.00 -0.51 0.00 0.00 60.65 59.25 1nmq s ILE 127 Cb -0.06 -1.16 -0.04 0.00 0.15 0.00 0.00 42.46 41.35 1nmq s ILE 127 CO 0.00 0.40 0.34 -0.36 -2.11 0.00 0.00 174.94 173.21 1nmq s PHE 128 N -0.41 3.42 0.88 3.50 0.08 -0.21 0.11 117.98 125.36 1nmq s PHE 128 Ca 0.07 0.61 -0.13 0.00 0.12 0.00 0.00 56.93 57.59 1nmq s PHE 128 Cb -0.07 -2.43 0.13 0.00 -0.57 0.00 0.00 43.02 40.08 1nmq s PHE 128 CO -0.01 0.12 1.21 0.20 -0.10 0.00 0.00 175.22 176.65 1nmq s GLY 129 N 0.75 1.64 0.51 4.36 0.00 0.38 -4.59 107.32 110.36 1nmq s GLY 129 Ca 0.18 -0.80 0.17 0.00 0.00 0.00 0.00 44.72 44.28 1nmq s GLY 129 CO 0.06 -0.20 2.10 -0.91 0.00 0.00 0.00 173.10 174.15 1nmq h THR 130 N -1.35 0.94 -0.26 0.90 1.35 -1.32 -2.62 112.91 110.55 1nmq h THR 130 Ca -0.46 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1nmq h THR 130 Cb 1.30 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1nmq h THR 130 CO 0.56 0.01 0.00 -0.46 -0.25 0.00 0.00 175.52 175.39 1nmq n ASN 131 N -4.49 2.67 0.00 5.36 6.94 -1.26 -1.13 115.26 123.34 1nmq n ASN 131 Ca 0.01 -1.90 0.00 0.00 -0.02 0.00 0.00 54.58 52.67 1nmq n ASN 131 Cb 0.23 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 1nmq n ASN 131 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nmq n GLY 132 N 0.45 0.53 3.86 4.83 0.00 -0.99 -4.93 105.19 108.94 1nmq n GLY 132 Ca 0.10 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 1nmq n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nmq s PRO 133 N -1.92 3.87 -0.02 1.61 0.05 -1.26 0.14 135.00 137.47 1nmq s PRO 133 Ca 0.00 0.53 0.03 0.00 0.05 0.00 0.00 61.00 61.61 1nmq s PRO 133 Cb 0.00 -2.43 -0.00 0.00 0.05 0.00 0.00 34.50 32.12 1nmq s PRO 133 CO 0.00 0.07 -0.10 0.08 0.05 0.00 0.00 177.00 177.10 1nmq s VAL 134 N -2.16 0.85 0.10 -0.36 1.01 0.29 -4.80 120.40 115.33 1nmq s VAL 134 Ca 0.52 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 1nmq s VAL 134 Cb -0.10 -0.73 -0.07 0.00 0.00 0.00 0.00 36.38 35.48 1nmq s VAL 134 CO 0.25 0.25 1.23 -1.81 0.00 0.00 0.00 175.10 175.02 1nmq s ASP 135 N -0.03 7.04 0.39 3.32 1.11 -1.26 -0.67 116.67 126.56 1nmq s ASP 135 Ca 0.00 2.12 0.07 0.00 0.18 0.00 0.00 52.55 54.93 1nmq s ASP 135 Cb -0.07 -2.59 0.78 0.00 1.07 0.00 0.00 42.92 42.12 1nmq s ASP 135 CO 0.00 -0.48 1.98 -0.07 1.18 0.00 0.00 175.17 177.78 1nmq h LEU 136 N 6.40 0.41 -1.10 1.23 3.38 -1.49 -2.01 115.31 122.13 1nmq h LEU 136 Ca -0.42 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.53 1nmq h LEU 136 Cb 1.21 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 1nmq h LEU 136 CO 0.80 0.40 0.61 0.50 0.09 0.00 0.00 178.44 180.85 1nmq h LYS 137 N 0.45 1.17 -0.66 1.13 1.63 -1.91 -0.24 116.57 118.14 1nmq h LYS 137 Ca 0.11 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1nmq h LYS 137 Cb 0.15 -0.26 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 1nmq h LYS 137 CO -0.01 0.77 0.33 -0.22 -3.45 0.00 0.00 179.45 176.87 1nmq h LYS 138 N 1.20 0.95 0.12 1.90 3.64 -1.76 -0.17 116.57 122.46 1nmq h LYS 138 Ca 0.36 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1nmq h LYS 138 Cb -0.05 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1nmq h LYS 138 CO -0.10 0.75 -0.06 0.82 -2.27 0.00 0.00 179.45 178.59 1nmq h ILE 139 N 0.92 0.98 0.00 2.00 2.04 -1.06 -3.18 117.51 119.22 1nmq h ILE 139 Ca 0.23 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 1nmq h ILE 139 Cb 0.11 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1nmq h ILE 139 CO -0.03 0.10 -0.24 0.71 0.00 0.00 0.00 178.15 178.69 1nmq h THR 140 N -0.36 0.60 -0.85 -0.27 1.35 -1.00 -3.18 112.91 109.20 1nmq h THR 140 Ca -0.02 -1.15 0.01 0.00 -0.55 0.00 0.00 66.41 64.70 1nmq h THR 140 Cb 0.29 1.77 -0.04 0.00 -1.73 0.00 0.00 68.15 68.44 1nmq h THR 140 CO 0.03 0.24 0.55 0.78 -0.25 0.00 0.00 175.52 176.86 1nmq h ASN 141 N 0.00 0.98 -0.28 5.36 2.35 -1.00 -0.14 115.58 122.86 1nmq h ASN 141 Ca -0.00 -0.03 0.08 0.00 -0.55 0.00 0.00 56.30 55.80 1nmq h ASN 141 Cb 0.75 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1nmq h ASN 141 CO 0.03 0.72 0.43 -0.26 -1.65 0.00 0.00 177.43 176.70 1nmq h PHE 142 N 1.15 0.00 -0.03 1.19 0.04 -1.64 0.16 116.94 117.82 1nmq h PHE 142 Ca 0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1nmq h PHE 142 Cb -0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.03 1nmq h PHE 142 CO 0.00 0.00 -0.09 1.19 -0.60 0.00 0.00 178.31 178.81 1nmq n PHE 143 N -3.42 0.00 -1.40 -0.55 3.72 -0.07 -4.05 117.46 111.69 1nmq n PHE 143 Ca 0.04 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.00 1nmq n PHE 143 Cb 0.56 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.09 1nmq n PHE 143 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1nmq n ARG 144 N 1.03 0.27 0.16 -1.08 1.74 0.04 -4.49 116.66 114.33 1nmq n ARG 144 Ca 0.13 0.10 0.19 0.00 -0.77 0.00 0.00 57.85 57.49 1nmq n ARG 144 Cb 0.55 -1.20 0.79 0.00 -1.02 0.00 0.00 32.46 31.59 1nmq n ARG 144 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1nmq h GLY 145 N 0.88 0.00 1.00 -0.13 0.00 -1.58 0.29 103.07 103.54 1nmq h GLY 145 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1nmq h GLY 145 CO 0.53 0.00 -0.67 2.09 0.00 0.00 0.00 176.54 178.50 1nmq n ASP 146 N -3.66 0.62 -0.00 0.19 5.75 -1.26 -4.32 116.55 113.86 1nmq n ASP 146 Ca 0.04 -0.05 0.06 0.00 -0.01 0.00 0.00 54.79 54.84 1nmq n ASP 146 Cb 0.47 0.31 -0.08 0.00 -1.03 0.00 0.00 41.12 40.80 1nmq n ASP 146 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1nmq n ARG 147 N -1.91 2.39 -3.33 0.11 1.74 0.92 -4.70 116.66 111.88 1nmq n ARG 147 Ca 0.04 -0.01 -0.26 0.00 -0.77 0.00 0.00 57.85 56.85 1nmq n ARG 147 Cb 0.41 -1.15 -0.08 0.00 -1.02 0.00 0.00 32.46 30.62 1nmq n ARG 147 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nmq h ARG 149 N 4.67 0.00 -0.01 0.00 2.47 -1.84 0.10 114.38 119.78 1nmq h ARG 149 Ca 0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1nmq h ARG 149 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1nmq h ARG 149 CO 0.49 0.00 -0.00 -1.13 0.56 0.00 0.00 179.97 179.88 1nmq n SER 150 N -3.29 0.73 -0.02 7.04 3.41 -1.26 -3.20 113.62 117.02 1nmq n SER 150 Ca -0.01 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.38 1nmq n SER 150 Cb 0.29 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1nmq n SER 150 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1nmq n LEU 151 N -0.44 0.61 -4.66 1.04 4.77 0.34 -4.06 117.00 114.60 1nmq n LEU 151 Ca 0.21 -0.78 -0.49 0.00 -0.03 0.00 0.00 56.01 54.93 1nmq n LEU 151 Cb 0.23 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1nmq n LEU 151 CO 0.17 0.15 1.21 0.41 -1.33 0.00 0.00 177.39 178.01 1nmq n THR 152 N -0.42 0.16 -0.75 -5.08 -1.04 -1.12 -0.26 114.28 105.77 1nmq n THR 152 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1nmq n THR 152 Cb 0.02 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 1nmq n THR 152 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nmq n GLY 153 N 3.53 0.73 3.42 3.41 0.00 -1.26 -5.02 105.19 109.99 1nmq n GLY 153 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1nmq n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nmq s LYS 154 N -0.25 1.93 0.19 1.61 1.02 0.64 -4.95 119.74 119.93 1nmq s LYS 154 Ca 0.00 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 54.63 1nmq s LYS 154 Cb 0.00 -2.10 -0.09 0.00 -0.52 0.00 0.00 37.83 35.12 1nmq s LYS 154 CO 0.00 0.52 1.38 -1.25 -0.92 0.00 0.00 175.35 175.09 1nmq s PRO 155 N -1.46 4.33 -0.30 -1.68 0.04 -1.26 -4.85 135.00 129.82 1nmq s PRO 155 Ca 0.14 2.15 0.03 0.00 0.04 0.00 0.00 61.00 63.36 1nmq s PRO 155 Cb -0.10 -3.18 0.08 0.00 0.04 0.00 0.00 34.50 31.34 1nmq s PRO 155 CO 0.05 -0.37 -0.02 0.15 0.04 0.00 0.00 177.00 176.84 1nmq s LYS 156 N 0.20 1.78 -0.19 4.56 1.02 -0.36 -1.90 119.74 124.84 1nmq s LYS 156 Ca 0.60 -1.54 -0.13 0.00 0.02 0.00 0.00 55.97 54.93 1nmq s LYS 156 Cb -0.39 -2.96 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 1nmq s LYS 156 CO 0.37 -0.75 0.26 -0.51 -0.92 0.00 0.00 175.35 173.80 1nmq s LEU 157 N 1.06 4.19 -0.21 3.17 1.43 0.25 -1.73 118.68 126.84 1nmq s LEU 157 Ca 0.01 0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.48 1nmq s LEU 157 Cb -0.19 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.74 1nmq s LEU 157 CO -0.07 0.07 -0.12 -0.36 0.23 0.00 0.00 176.35 176.09 1nmq s PHE 158 N 0.75 2.92 -0.24 0.29 0.40 0.40 -0.82 117.98 121.68 1nmq s PHE 158 Ca 0.14 -1.47 -0.04 0.00 -0.60 0.00 0.00 56.93 54.95 1nmq s PHE 158 Cb -0.13 -2.00 -0.00 0.00 0.51 0.00 0.00 43.02 41.39 1nmq s PHE 158 CO 0.04 -0.72 -0.02 0.42 0.70 0.00 0.00 175.22 175.64 1nmq s ILE 159 N 1.34 3.49 -0.23 0.64 1.01 0.49 -0.20 121.20 127.74 1nmq s ILE 159 Ca 0.03 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1nmq s ILE 159 Cb -0.15 -2.65 0.05 0.00 0.01 0.00 0.00 42.46 39.73 1nmq s ILE 159 CO -0.08 0.34 -0.09 -0.63 0.00 0.00 0.00 174.94 174.48 1nmq s ILE 160 N 1.48 1.77 -0.47 2.92 1.01 -0.56 -0.28 121.20 127.07 1nmq s ILE 160 Ca 0.05 -1.29 -0.10 0.00 0.00 0.00 0.00 60.65 59.31 1nmq s ILE 160 Cb -0.15 -1.93 0.11 0.00 0.01 0.00 0.00 42.46 40.51 1nmq s ILE 160 CO -0.02 0.01 0.35 -1.58 0.00 0.00 0.00 174.94 173.70 1nmq s GLN 161 N 1.30 2.57 -0.17 2.79 2.00 -0.25 -1.58 119.66 126.32 1nmq s GLN 161 Ca -0.05 -1.69 -0.31 0.00 -2.00 0.00 0.00 55.36 51.31 1nmq s GLN 161 Cb -0.18 -3.95 0.14 0.00 0.80 0.00 0.00 33.01 29.81 1nmq s GLN 161 CO -0.07 -1.16 1.09 0.00 -0.50 0.00 0.00 175.29 174.65 1nmq s ALA 162 N 1.41 -1.98 0.64 1.58 0.00 -1.26 -2.10 121.76 120.05 1nmq s ALA 162 Ca 0.05 1.56 -0.16 0.00 0.00 0.00 0.00 51.96 53.42 1nmq s ALA 162 Cb -0.26 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 1nmq s ALA 162 CO 0.00 -0.41 1.11 0.00 0.00 0.00 0.00 175.76 176.46 1nmq n ARG 164 N -2.23 0.89 -1.17 0.00 1.74 -0.18 -1.60 116.66 114.10 1nmq n ARG 164 Ca 0.10 -2.44 0.00 0.00 -0.77 0.00 0.00 57.85 54.74 1nmq n ARG 164 Cb 0.52 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.92 1nmq n ARG 164 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nmq n GLY 165 N -0.65 0.39 0.01 -0.13 0.00 -1.12 -0.82 105.19 102.86 1nmq n GLY 165 Ca 0.12 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1nmq n GLY 165 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nmq n THR 166 N 9.00 0.95 -2.40 2.61 -2.24 -0.97 -3.25 114.28 117.99 1nmq n THR 166 Ca 0.00 -0.98 -0.38 0.00 -2.27 0.00 0.00 64.05 60.43 1nmq n THR 166 Cb 0.00 0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 1nmq n THR 166 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1nmq s GLU 167 N -0.95 4.14 0.11 -0.78 2.02 -0.49 -4.75 118.70 117.99 1nmq s GLU 167 Ca 0.00 1.71 0.07 0.00 0.02 0.00 0.00 54.97 56.78 1nmq s GLU 167 Cb 0.00 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 1nmq s GLU 167 CO 0.00 -0.21 -0.11 -0.51 0.02 0.00 0.00 175.26 174.46 1nmq s LEU 168 N -2.46 3.01 -0.28 1.80 1.43 -1.26 -1.62 118.68 119.30 1nmq s LEU 168 Ca 0.56 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 53.25 1nmq s LEU 168 Cb -0.27 -1.81 0.05 0.00 0.03 0.00 0.00 46.19 44.19 1nmq s LEU 168 CO 0.34 0.18 -0.04 -0.62 0.23 0.00 0.00 176.35 176.44 1nmq s ASP 169 N -2.22 4.64 0.07 2.29 -1.08 -1.26 -4.96 116.67 114.15 1nmq s ASP 169 Ca 0.21 -1.19 0.27 0.00 -0.52 0.00 0.00 52.55 51.32 1nmq s ASP 169 Cb -0.11 -1.67 0.81 0.00 -1.46 0.00 0.00 42.92 40.49 1nmq s ASP 169 CO 0.13 -0.21 1.66 0.00 0.52 0.00 0.00 175.17 177.28 1nmq n GLY 171 N 1.43 -1.96 2.97 0.00 0.00 -1.26 -4.75 105.19 101.62 1nmq n GLY 171 Ca 0.06 -1.31 -0.17 0.00 0.00 0.00 0.00 46.02 44.60 1nmq n GLY 171 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nmq s ILE 172 N -2.16 0.49 0.55 -0.61 1.10 -1.26 -5.11 121.20 114.21 1nmq s ILE 172 Ca 0.00 -0.25 -0.21 0.00 -0.51 0.00 0.00 60.65 59.68 1nmq s ILE 172 Cb 0.00 -0.43 -0.05 0.00 0.15 0.00 0.00 42.46 42.13 1nmq s ILE 172 CO 0.00 0.15 1.26 -1.61 -2.11 0.00 0.00 174.94 172.63 1nmq s GLU 173 N -0.03 3.19 0.49 3.50 2.02 -1.26 -5.23 118.70 121.38 1nmq s GLU 173 Ca 0.01 1.98 0.04 0.00 0.02 0.00 0.00 54.97 57.02 1nmq s GLU 173 Cb -0.04 -2.16 -0.01 0.00 0.10 0.00 0.00 34.13 32.03 1nmq s GLU 173 CO -0.00 -1.07 0.14 0.95 0.02 0.00 0.00 175.26 175.30 1nmq s THR 174 N -1.46 1.56 -0.58 3.63 -4.23 -1.26 -5.35 115.64 107.95 1nmq s THR 174 Ca 0.72 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 1nmq s THR 174 Cb -0.34 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.12 1nmq s THR 174 CO 0.39 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.57 1nmq n ASP 179 N -1.37 0.00 -4.76 3.99 5.75 -1.26 -5.35 116.55 113.56 1nmq n ASP 179 Ca -0.10 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.34 1nmq n ASP 179 Cb 0.66 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.67 1nmq n ASP 179 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1nmq s ASP 180 N -3.67 5.59 0.00 -1.12 3.68 -1.26 -5.40 116.67 114.49 1nmq s ASP 180 Ca 0.00 0.16 0.00 0.00 2.13 0.00 0.00 52.55 54.84 1nmq s ASP 180 Cb 0.00 -1.61 0.00 0.00 -1.45 0.00 0.00 42.92 39.86 1nmq s ASP 180 CO 0.00 0.31 0.00 0.47 0.13 0.00 0.00 175.17 176.08 1nmq n ASP 181 N 1.52 0.00 0.00 -0.34 8.00 -1.26 -5.31 116.55 119.16 1nmq n ASP 181 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1nmq n ASP 181 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1nmq n ASP 181 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nmq n HIS 185 N -0.04 1.91 -4.03 0.00 -0.00 -1.26 -5.09 115.22 106.72 1nmq n HIS 185 Ca 0.00 -3.94 -0.25 0.00 0.46 0.00 0.00 57.72 53.99 1nmq n HIS 185 Cb 0.00 -0.38 -0.04 0.00 -0.12 0.00 0.00 29.99 29.45 1nmq n HIS 185 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1nmq s LYS 186 N -1.39 3.15 0.14 1.57 1.02 -1.26 -5.12 119.74 117.85 1nmq s LYS 186 Ca 0.32 -0.80 0.09 0.00 0.02 0.00 0.00 55.97 55.60 1nmq s LYS 186 Cb 0.06 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.57 1nmq s LYS 186 CO -0.12 0.47 -0.19 0.96 -0.92 0.00 0.00 175.35 175.55 1nmq s ILE 187 N -1.84 1.81 0.54 2.17 -4.36 -1.26 -5.13 121.20 113.13 1nmq s ILE 187 Ca 0.33 -1.80 -0.22 0.00 -0.26 0.00 0.00 60.65 58.70 1nmq s ILE 187 Cb -0.10 -1.76 -0.05 0.00 1.25 0.00 0.00 42.46 41.80 1nmq s ILE 187 CO 0.26 -0.22 1.37 -2.84 0.24 0.00 0.00 174.94 173.76 1nmq s PRO 188 N -2.49 3.17 0.43 0.37 0.02 -1.26 -4.91 135.00 130.33 1nmq s PRO 188 Ca 0.13 2.27 0.27 0.00 0.02 0.00 0.00 61.00 63.69 1nmq s PRO 188 Cb -0.07 -2.29 0.82 0.00 0.02 0.00 0.00 34.50 32.97 1nmq s PRO 188 CO 0.06 -1.18 1.77 -0.39 -0.33 0.00 0.00 177.00 176.93 1nmq h VAL 189 N 1.52 0.00 -0.04 3.83 -1.51 -1.98 -3.01 116.25 115.06 1nmq h VAL 189 Ca -0.51 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.28 1nmq h VAL 189 Cb 1.30 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 32.11 1nmq h VAL 189 CO 0.57 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.38 1nmq n ASP 190 N -2.89 2.11 -4.80 4.19 8.00 -1.26 -1.54 116.55 120.36 1nmq n ASP 190 Ca 0.03 -1.71 -0.31 0.00 0.71 0.00 0.00 54.79 53.51 1nmq n ASP 190 Cb 0.41 -0.01 0.05 0.00 -0.02 0.00 0.00 41.12 41.55 1nmq n ASP 190 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nmq s ALA 191 N -1.97 2.58 -1.17 2.24 0.00 -1.14 -3.96 121.76 118.35 1nmq s ALA 191 Ca 0.34 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1nmq s ALA 191 Cb 0.21 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1nmq s ALA 191 CO 0.32 -1.27 0.00 -0.25 0.00 0.00 0.00 175.76 174.56 1nmq n ASP 192 N -2.98 -4.21 -4.88 0.00 8.00 -0.11 -4.78 116.55 107.60 1nmq n ASP 192 Ca 0.08 0.20 -0.32 0.00 0.71 0.00 0.00 54.79 55.45 1nmq n ASP 192 Cb 0.53 -2.95 -0.05 0.00 -0.02 0.00 0.00 41.12 38.63 1nmq n ASP 192 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1nmq s PHE 193 N -2.48 3.47 -0.04 1.24 0.08 -1.25 -1.23 117.98 117.77 1nmq s PHE 193 Ca 0.00 0.28 -0.01 0.00 0.12 0.00 0.00 56.93 57.33 1nmq s PHE 193 Cb 0.00 -1.78 0.03 0.00 -0.57 0.00 0.00 43.02 40.70 1nmq s PHE 193 CO 0.00 0.61 0.02 -1.17 -0.10 0.00 0.00 175.22 174.57 1nmq s LEU 194 N -2.07 0.75 -0.32 -0.37 2.96 -0.71 -1.02 118.68 117.91 1nmq s LEU 194 Ca 0.28 -0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 54.18 1nmq s LEU 194 Cb -0.13 -0.25 0.07 0.00 0.50 0.00 0.00 46.19 46.38 1nmq s LEU 194 CO 0.20 -0.16 0.03 -0.31 -1.32 0.00 0.00 176.35 174.79 1nmq s TYR 195 N 1.57 3.42 -0.64 5.38 1.51 0.56 -0.46 117.35 128.70 1nmq s TYR 195 Ca -0.02 -2.26 -0.20 0.00 -1.01 0.00 0.00 57.07 53.58 1nmq s TYR 195 Cb -0.13 -2.46 0.10 0.00 -0.11 0.00 0.00 41.96 39.36 1nmq s TYR 195 CO -0.03 -0.88 0.80 0.00 -1.11 0.00 0.00 175.55 174.33 1nmq s ALA 196 N 1.14 3.35 0.04 3.71 0.00 0.73 -0.83 121.76 129.90 1nmq s ALA 196 Ca -0.00 -2.19 -0.19 0.00 0.00 0.00 0.00 51.96 49.57 1nmq s ALA 196 Cb -0.20 -3.64 -0.06 0.00 0.00 0.00 0.00 23.12 19.21 1nmq s ALA 196 CO -0.04 -2.50 0.56 0.71 0.00 0.00 0.00 175.76 174.50 1nmq s TYR 197 N 2.97 3.77 -0.54 0.00 2.02 -0.08 -1.50 117.35 123.99 1nmq s TYR 197 Ca 0.16 1.23 0.22 0.00 -0.37 0.00 0.00 57.07 58.31 1nmq s TYR 197 Cb -0.21 -2.51 0.94 0.00 -0.40 0.00 0.00 41.96 39.77 1nmq s TYR 197 CO 0.06 0.52 1.67 -1.13 -1.57 0.00 0.00 175.55 175.10 1nmq n SER 198 N 2.02 0.58 -3.78 2.29 3.41 -0.62 -1.01 113.62 116.51 1nmq n SER 198 Ca -0.10 0.65 -0.09 0.00 -0.26 0.00 0.00 58.87 59.08 1nmq n SER 198 Cb 0.51 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 1nmq n SER 198 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1nmq s THR 199 N -3.29 0.01 0.65 6.66 -1.32 -1.26 -3.92 115.64 113.18 1nmq s THR 199 Ca 0.04 -0.84 -0.15 0.00 -1.21 0.00 0.00 61.69 59.52 1nmq s THR 199 Cb 0.09 -1.78 -0.00 0.00 -1.51 0.00 0.00 72.50 69.30 1nmq s THR 199 CO 0.36 -0.02 1.12 0.00 -2.21 0.00 0.00 174.62 173.87 1nmq s ALA 200 N -3.89 2.45 0.25 11.08 0.00 -0.80 -4.13 121.76 126.71 1nmq s ALA 200 Ca 0.10 0.62 -0.31 0.00 0.00 0.00 0.00 51.96 52.37 1nmq s ALA 200 Cb -0.04 -3.34 -0.13 0.00 0.00 0.00 0.00 23.12 19.61 1nmq s ALA 200 CO 0.02 -1.29 1.39 -2.30 0.00 0.00 0.00 175.76 173.59 1nmq n PRO 201 N -2.33 2.03 -0.04 0.00 -0.02 -1.26 -2.38 135.00 131.00 1nmq n PRO 201 Ca 0.11 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1nmq n PRO 201 Cb 0.52 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1nmq n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nmq n GLY 202 N 2.04 2.02 3.90 -1.23 0.00 -0.00 -5.01 105.19 106.91 1nmq n GLY 202 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1nmq n GLY 202 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nmq s TYR 203 N -2.74 3.34 0.77 1.61 1.51 -1.00 -1.40 117.35 119.45 1nmq s TYR 203 Ca 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 57.07 55.94 1nmq s TYR 203 Cb 0.00 -1.55 0.06 0.00 -0.11 0.00 0.00 41.96 40.36 1nmq s TYR 203 CO 0.00 0.49 1.14 0.71 -1.11 0.00 0.00 175.55 176.78 1nmq s TYR 204 N -1.91 2.21 -0.05 2.71 1.51 -0.64 -1.01 117.35 120.18 1nmq s TYR 204 Ca 0.33 1.63 0.05 0.00 -1.01 0.00 0.00 57.07 58.07 1nmq s TYR 204 Cb -0.10 -3.25 -0.01 0.00 -0.11 0.00 0.00 41.96 38.49 1nmq s TYR 204 CO 0.27 -2.23 -0.21 0.45 -1.11 0.00 0.00 175.55 172.72 1nmq s SER 205 N -2.70 2.63 -0.11 2.29 0.15 -1.26 -4.82 113.70 109.88 1nmq s SER 205 Ca 0.67 -0.44 -0.12 0.00 0.70 0.00 0.00 55.95 56.76 1nmq s SER 205 Cb -0.22 -0.77 -0.05 0.00 -1.71 0.00 0.00 66.02 63.27 1nmq s SER 205 CO 0.51 0.19 0.27 0.26 1.20 0.00 0.00 173.24 175.67 1nmq s TRP 206 N -0.01 3.57 -0.09 3.44 0.52 -1.26 -4.80 118.94 120.31 1nmq s TRP 206 Ca -0.05 0.67 -0.01 0.00 0.02 0.00 0.00 56.10 56.73 1nmq s TRP 206 Cb -0.13 -2.20 0.03 0.00 -1.15 0.00 0.00 33.47 30.01 1nmq s TRP 206 CO 0.03 0.49 -0.04 0.50 0.02 0.00 0.00 176.95 177.96 1nmq s ARG 207 N -0.39 1.09 -0.01 4.98 3.52 -1.26 -2.17 118.95 124.71 1nmq s ARG 207 Ca 0.18 -0.10 -0.20 0.00 -0.13 0.00 0.00 55.73 55.48 1nmq s ARG 207 Cb -0.14 -1.26 -0.05 0.00 -1.56 0.00 0.00 34.95 31.94 1nmq s ARG 207 CO 0.06 -0.25 0.59 1.21 -0.81 0.00 0.00 175.30 176.09 1nmq s ASN 208 N 1.71 6.95 0.55 -2.12 3.84 0.18 -4.90 114.94 121.15 1nmq s ASN 208 Ca 0.03 1.13 0.24 0.00 0.21 0.00 0.00 52.86 54.47 1nmq s ASN 208 Cb -0.13 -2.36 1.48 0.00 -0.55 0.00 0.00 41.25 39.69 1nmq s ASN 208 CO -0.06 0.10 2.10 0.28 -2.79 0.00 0.00 177.10 176.73 1nmq h SER 209 N 5.71 0.00 0.00 -4.21 0.02 -1.82 0.82 113.55 114.07 1nmq h SER 209 Ca -0.45 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.36 1nmq h SER 209 Cb 1.20 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 1nmq h SER 209 CO 0.70 0.00 -1.54 2.29 -1.14 0.00 0.00 176.83 177.14 1nmq n LYS 210 N -4.20 2.63 0.00 3.45 2.85 -1.26 -3.28 118.16 118.35 1nmq n LYS 210 Ca 0.02 -0.01 0.08 0.00 -1.05 0.00 0.00 58.31 57.35 1nmq n LYS 210 Cb 0.31 -1.20 -0.06 0.00 -0.65 0.00 0.00 35.03 33.42 1nmq n LYS 210 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1nmq n ASP 211 N -2.28 1.05 0.00 -5.58 8.00 -1.19 -4.94 116.55 111.61 1nmq n ASP 211 Ca -0.13 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1nmq n ASP 211 Cb 0.74 0.83 0.00 0.00 -0.02 0.00 0.00 41.12 42.67 1nmq n ASP 211 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nmq n GLY 212 N 1.32 -1.59 3.81 0.44 0.00 0.28 -4.73 105.19 104.71 1nmq n GLY 212 Ca 0.04 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 1nmq n GLY 212 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nmq s SER 213 N -4.00 7.03 0.20 1.61 1.04 -1.26 0.50 113.70 118.82 1nmq s SER 213 Ca 0.00 1.71 -0.10 0.00 0.48 0.00 0.00 55.95 58.04 1nmq s SER 213 Cb 0.00 -2.54 0.21 0.00 0.10 0.00 0.00 66.02 63.79 1nmq s SER 213 CO 0.00 -0.28 1.79 -0.50 0.98 0.00 0.00 173.24 175.23 1nmq h TRP 214 N 2.25 0.58 -0.05 5.02 6.55 -1.81 -2.17 115.95 126.31 1nmq h TRP 214 Ca -0.48 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.38 1nmq h TRP 214 Cb 1.18 -0.17 -0.00 0.00 -0.86 0.00 0.00 29.16 29.31 1nmq h TRP 214 CO 0.62 0.27 0.02 0.35 -1.05 0.00 0.00 178.44 178.65 1nmq h PHE 215 N 0.59 0.08 -0.53 0.49 3.57 -1.89 -2.37 116.94 116.88 1nmq h PHE 215 Ca 0.28 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.68 1nmq h PHE 215 Cb 0.19 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1nmq h PHE 215 CO -0.10 0.24 -0.00 0.82 -2.23 0.00 0.00 178.31 177.04 1nmq h ILE 216 N -0.10 1.26 -0.45 1.41 1.08 -1.92 0.61 117.51 119.40 1nmq h ILE 216 Ca 0.02 -1.11 0.02 0.00 -0.39 0.00 0.00 64.86 63.39 1nmq h ILE 216 Cb 0.19 0.92 -0.03 0.00 -3.07 0.00 0.00 36.82 34.83 1nmq h ILE 216 CO -0.00 0.39 0.27 0.06 -0.69 0.00 0.00 178.15 178.19 1nmq h GLN 217 N 0.82 0.53 -0.38 2.37 3.07 -1.38 -1.54 115.11 118.60 1nmq h GLN 217 Ca 0.15 -0.03 -0.08 0.00 0.09 0.00 0.00 58.65 58.78 1nmq h GLN 217 Cb 0.54 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 27.96 1nmq h GLN 217 CO 0.03 0.35 -0.06 0.77 0.09 0.00 0.00 178.83 180.01 1nmq h SER 218 N 0.55 0.72 -0.11 0.06 0.02 -1.18 -1.61 113.55 112.01 1nmq h SER 218 Ca 0.18 -0.35 0.04 0.00 -0.84 0.00 0.00 61.79 60.82 1nmq h SER 218 Cb -0.00 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 1nmq h SER 218 CO -0.07 0.90 -0.16 0.25 -1.14 0.00 0.00 176.83 176.60 1nmq h LEU 219 N 0.53 -0.49 -0.08 5.07 5.85 -0.67 0.58 115.31 126.10 1nmq h LEU 219 Ca 0.10 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.93 1nmq h LEU 219 Cb 0.56 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1nmq h LEU 219 CO 0.03 -0.21 -0.06 0.00 -0.34 0.00 0.00 178.44 177.86 1nmq h ALA 221 N 0.99 1.07 -0.30 0.00 0.00 -1.06 0.71 119.26 120.68 1nmq h ALA 221 Ca 0.05 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1nmq h ALA 221 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1nmq h ALA 221 CO -0.12 0.28 -0.42 0.52 0.00 0.00 0.00 179.25 179.50 1nmq h MET 222 N 0.95 0.76 -0.68 0.00 2.07 -0.28 -1.42 114.93 116.33 1nmq h MET 222 Ca 0.33 -0.41 -0.02 0.00 -2.07 0.00 0.00 59.70 57.53 1nmq h MET 222 Cb 0.08 0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 29.80 1nmq h MET 222 CO -0.14 1.03 0.33 -0.07 1.07 0.00 0.00 176.91 179.14 1nmq h LEU 223 N 0.61 0.88 -0.87 1.22 3.38 0.06 0.24 115.31 120.83 1nmq h LEU 223 Ca 0.04 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1nmq h LEU 223 Cb 0.98 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1nmq h LEU 223 CO 0.09 0.76 0.08 0.11 0.09 0.00 0.00 178.44 179.57 1nmq h LYS 224 N 0.94 0.92 0.09 1.13 1.57 -0.58 -0.74 116.57 119.90 1nmq h LYS 224 Ca 0.23 -0.23 -0.26 0.00 -1.87 0.00 0.00 60.65 58.53 1nmq h LYS 224 Cb 0.11 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1nmq h LYS 224 CO -0.03 0.86 -1.16 0.37 -0.57 0.00 0.00 179.45 178.92 1nmq h GLN 225 N 0.86 0.24 0.00 3.15 4.15 -0.95 -3.42 115.11 119.16 1nmq h GLN 225 Ca 0.18 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1nmq h GLN 225 Cb 0.40 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.23 1nmq h GLN 225 CO 0.01 1.17 0.00 0.66 -1.93 0.00 0.00 178.83 178.74 1nmq n TYR 226 N -3.54 0.00 0.31 3.99 4.01 0.81 -4.71 117.16 118.02 1nmq n TYR 226 Ca -0.07 0.00 0.21 0.00 -0.16 0.00 0.00 57.90 57.88 1nmq n TYR 226 Cb 0.98 0.00 1.10 0.00 -0.31 0.00 0.00 39.34 41.12 1nmq n TYR 226 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nmq h ALA 227 N 0.00 1.00 0.00 -0.72 0.00 -1.27 0.27 119.26 118.54 1nmq h ALA 227 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nmq h ALA 227 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1nmq h ALA 227 CO 0.00 0.00 -0.47 -0.40 0.00 0.00 0.00 179.25 178.38 1nmq n ASP 228 N -2.92 0.47 0.00 0.00 5.75 -1.26 -4.08 116.55 114.51 1nmq n ASP 228 Ca -0.03 -0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 1nmq n ASP 228 Cb 0.07 0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1nmq n ASP 228 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1nmq n LYS 229 N -1.55 1.72 -3.86 0.11 5.02 -0.55 -4.97 118.16 114.08 1nmq n LYS 229 Ca 0.05 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.01 1nmq n LYS 229 Cb 0.35 -0.79 -0.05 0.00 -0.02 0.00 0.00 35.03 34.52 1nmq n LYS 229 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nmq s LEU 230 N -3.07 4.36 0.46 -0.35 1.43 -0.03 -5.08 118.68 116.41 1nmq s LEU 230 Ca 0.00 0.40 -0.24 0.00 -1.03 0.00 0.00 54.13 53.26 1nmq s LEU 230 Cb 0.00 -2.73 -0.07 0.00 0.03 0.00 0.00 46.19 43.42 1nmq s LEU 230 CO 0.00 0.23 1.30 -0.70 0.23 0.00 0.00 176.35 177.41 1nmq s GLU 231 N -2.04 3.64 0.15 1.70 -6.30 -1.26 -4.74 118.70 109.86 1nmq s GLU 231 Ca 0.29 2.11 -0.27 0.00 -2.50 0.00 0.00 54.97 54.61 1nmq s GLU 231 Cb -0.13 -2.52 -0.01 0.00 0.00 0.00 0.00 34.13 31.48 1nmq s GLU 231 CO 0.20 -0.75 1.57 0.35 0.02 0.00 0.00 175.26 176.65 1nmq h PHE 232 N 2.13 -1.29 -0.96 5.30 3.57 -1.08 -0.99 116.94 123.62 1nmq h PHE 232 Ca -0.50 0.07 0.24 0.00 3.53 0.00 0.00 57.97 61.31 1nmq h PHE 232 Cb 1.26 0.62 -0.13 0.00 2.79 0.00 0.00 35.95 40.50 1nmq h PHE 232 CO 0.51 -0.44 0.50 0.52 -2.23 0.00 0.00 178.31 177.17 1nmq h MET 233 N -0.32 0.47 -0.13 1.11 2.86 -1.92 0.20 114.93 117.20 1nmq h MET 233 Ca 0.14 -0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 57.59 1nmq h MET 233 Cb 0.58 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1nmq h MET 233 CO -0.59 0.31 -0.59 0.45 1.06 0.00 0.00 176.91 177.55 1nmq h HIS 234 N 0.48 0.54 -0.59 -0.22 3.86 -1.59 -1.57 115.15 116.06 1nmq h HIS 234 Ca 0.61 -0.20 -0.05 0.00 -1.16 0.00 0.00 60.37 59.57 1nmq h HIS 234 Cb 1.19 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.54 1nmq h HIS 234 CO -0.06 0.91 0.15 0.82 0.86 0.00 0.00 177.93 180.61 1nmq h ILE 235 N 0.32 1.25 0.00 2.45 2.04 0.34 -2.21 117.51 121.70 1nmq h ILE 235 Ca -0.00 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 64.95 1nmq h ILE 235 Cb 1.12 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1nmq h ILE 235 CO 0.10 0.33 -0.15 -0.07 0.00 0.00 0.00 178.15 178.36 1nmq h LEU 236 N 0.85 0.00 -0.23 1.44 3.38 -0.49 -1.72 115.31 118.53 1nmq h LEU 236 Ca 0.19 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.94 1nmq h LEU 236 Cb 0.33 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1nmq h LEU 236 CO -0.00 0.15 -0.80 0.74 0.09 0.00 0.00 178.44 178.62 1nmq h THR 237 N 0.00 1.32 -0.75 0.22 2.02 -0.77 -1.54 112.91 113.42 1nmq h THR 237 Ca -0.00 -2.09 0.06 0.00 0.77 0.00 0.00 66.41 65.15 1nmq h THR 237 Cb 0.50 2.09 -0.06 0.00 -1.74 0.00 0.00 68.15 68.94 1nmq h THR 237 CO 0.02 0.65 0.44 0.03 0.37 0.00 0.00 175.52 177.02 1nmq h ARG 238 N 0.42 0.77 -0.03 6.66 2.47 -0.75 -1.24 114.38 122.67 1nmq h ARG 238 Ca -0.05 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1nmq h ARG 238 Cb 1.41 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1nmq h ARG 238 CO 0.15 0.51 0.02 0.28 0.56 0.00 0.00 179.97 181.49 1nmq h VAL 239 N 0.79 1.06 -0.65 2.04 2.07 -1.19 0.32 116.25 120.69 1nmq h VAL 239 Ca 0.34 -0.16 0.14 0.00 0.82 0.00 0.00 66.70 67.84 1nmq h VAL 239 Cb 0.20 1.11 -0.11 0.00 -1.52 0.00 0.00 31.29 30.97 1nmq h VAL 239 CO -0.19 0.05 0.00 0.78 0.02 0.00 0.00 177.57 178.23 1nmq h ASN 240 N -0.01 -0.29 -0.13 0.57 4.21 -0.83 -0.08 115.58 119.02 1nmq h ASN 240 Ca 0.01 0.16 -0.01 0.00 1.21 0.00 0.00 56.30 57.67 1nmq h ASN 240 Cb 0.06 0.29 -0.01 0.00 -1.12 0.00 0.00 38.32 37.54 1nmq h ASN 240 CO -0.00 -0.13 0.05 -0.09 -1.29 0.00 0.00 177.43 175.97 1nmq h ARG 241 N 0.12 0.21 -0.12 0.81 2.43 -0.72 -0.73 114.38 116.36 1nmq h ARG 241 Ca 0.34 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1nmq h ARG 241 Cb 0.57 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1nmq h ARG 241 CO -0.56 0.32 0.07 -0.22 -1.51 0.00 0.00 179.97 178.08 1nmq h LYS 242 N 0.05 0.15 -0.46 0.20 3.64 -0.18 0.59 116.57 120.55 1nmq h LYS 242 Ca 0.04 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1nmq h LYS 242 Cb 0.20 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1nmq h LYS 242 CO -0.00 0.10 0.30 0.28 -2.27 0.00 0.00 179.45 177.85 1nmq h VAL 243 N 0.15 1.10 0.00 2.00 2.07 -1.02 -0.40 116.25 120.16 1nmq h VAL 243 Ca 0.05 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 1nmq h VAL 243 Cb -0.01 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1nmq h VAL 243 CO -0.02 0.11 -0.36 0.00 0.02 0.00 0.00 177.57 177.32 1nmq h ALA 244 N 1.18 1.36 0.00 1.67 0.00 -0.59 -3.14 119.26 119.74 1nmq h ALA 244 Ca 0.17 -0.33 -0.39 0.00 0.00 0.00 0.00 54.91 54.36 1nmq h ALA 244 Cb -0.05 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 1nmq h ALA 244 CO -0.05 0.45 -2.44 0.25 0.00 0.00 0.00 179.25 177.46 1nmq n THR 245 N -4.05 1.44 1.22 0.00 -2.24 0.15 -4.65 114.28 106.16 1nmq n THR 245 Ca -0.02 -0.51 0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1nmq n THR 245 Cb 0.40 -1.50 0.38 0.00 -2.10 0.00 0.00 70.33 67.52 1nmq n THR 245 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nmq n GLU 246 N -3.45 0.70 -5.30 -0.78 1.02 -0.18 -4.88 120.64 107.77 1nmq n GLU 246 Ca -0.46 -0.40 -0.31 0.00 -0.02 0.00 0.00 57.16 55.97 1nmq n GLU 246 Cb 0.95 -1.49 -0.16 0.00 -0.02 0.00 0.00 31.44 30.72 1nmq n GLU 246 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1nmq s PHE 247 N -2.57 2.32 -0.19 -0.32 0.08 -1.19 -5.04 117.98 111.07 1nmq s PHE 247 Ca 0.23 -0.45 -0.12 0.00 0.12 0.00 0.00 56.93 56.71 1nmq s PHE 247 Cb 0.19 -1.50 0.06 0.00 -0.57 0.00 0.00 43.02 41.20 1nmq s PHE 247 CO 0.54 -0.05 0.47 -2.00 -0.10 0.00 0.00 175.22 174.09 1nmq s GLU 248 N -0.59 0.48 0.54 0.44 2.12 -1.26 -4.74 118.70 115.69 1nmq s GLU 248 Ca 0.09 0.85 -0.20 0.00 0.36 0.00 0.00 54.97 56.07 1nmq s GLU 248 Cb -0.10 0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.29 1nmq s GLU 248 CO -0.01 -0.14 1.18 -1.54 -0.54 0.00 0.00 175.26 174.21 1nmq s SER 249 N 1.24 5.64 -0.10 -1.70 1.04 -0.50 -4.84 113.70 114.47 1nmq s SER 249 Ca -0.08 2.31 -0.00 0.00 0.48 0.00 0.00 55.95 58.66 1nmq s SER 249 Cb -0.07 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.48 1nmq s SER 249 CO -0.12 -1.28 -0.07 0.12 0.98 0.00 0.00 173.24 172.87 1nmq s PHE 250 N -1.63 1.34 -0.04 5.02 2.19 -1.26 -0.33 117.98 123.27 1nmq s PHE 250 Ca 0.72 -0.62 -0.08 0.00 0.33 0.00 0.00 56.93 57.28 1nmq s PHE 250 Cb -0.28 -1.14 0.01 0.00 -1.31 0.00 0.00 43.02 40.30 1nmq s PHE 250 CO 0.32 -0.46 0.18 0.45 1.83 0.00 0.00 175.22 177.55 1nmq s SER 251 N 1.63 -0.11 0.47 6.13 0.15 -1.26 -4.94 113.70 115.77 1nmq s SER 251 Ca 0.03 0.12 0.31 0.00 0.70 0.00 0.00 55.95 57.11 1nmq s SER 251 Cb -0.13 0.32 1.36 0.00 -1.71 0.00 0.00 66.02 65.85 1nmq s SER 251 CO -0.07 -0.23 1.93 -0.26 1.20 0.00 0.00 173.24 175.82 1nmq h PHE 252 N 5.01 0.00 -3.28 3.44 0.04 -2.00 -3.40 116.94 116.74 1nmq h PHE 252 Ca -0.28 0.00 -0.74 0.00 2.80 0.00 0.00 57.97 59.75 1nmq h PHE 252 Cb 1.19 0.00 -0.22 0.00 2.20 0.00 0.00 35.95 39.12 1nmq h PHE 252 CO 0.49 0.00 -0.29 0.34 -0.60 0.00 0.00 178.31 178.25 1nmq s ASP 253 N -5.15 6.16 0.27 2.17 -1.08 -1.26 -4.97 116.67 112.82 1nmq s ASP 253 Ca 0.01 -1.32 0.13 0.00 -0.52 0.00 0.00 52.55 50.85 1nmq s ASP 253 Cb 0.09 -2.19 0.93 0.00 -1.46 0.00 0.00 42.92 40.29 1nmq s ASP 253 CO 0.47 -0.68 1.19 0.00 0.52 0.00 0.00 175.17 176.67 1nmq n ALA 254 N 5.29 0.70 0.27 3.66 0.00 -1.26 0.57 120.51 129.74 1nmq n ALA 254 Ca -0.12 0.78 0.11 0.00 0.00 0.00 0.00 53.44 54.21 1nmq n ALA 254 Cb 0.44 -0.74 0.74 0.00 0.00 0.00 0.00 19.45 19.89 1nmq n ALA 254 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1nmq h THR 255 N 0.00 0.83 -0.13 0.00 2.02 -1.94 -2.92 112.91 110.78 1nmq h THR 255 Ca 0.61 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.79 1nmq h THR 255 Cb 1.55 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1nmq h THR 255 CO -0.61 0.00 0.00 0.49 0.37 0.00 0.00 175.52 175.77 1nmq n PHE 256 N -4.29 0.17 -3.53 3.16 3.01 0.19 -5.03 117.46 111.15 1nmq n PHE 256 Ca -0.03 -0.45 -0.36 0.00 1.01 0.00 0.00 57.45 57.63 1nmq n PHE 256 Cb 0.09 -0.04 -0.06 0.00 -0.01 0.00 0.00 39.48 39.47 1nmq n PHE 256 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1nmq s HIS 257 N -0.93 3.62 -1.14 1.38 2.46 -1.05 -4.38 115.29 115.25 1nmq s HIS 257 Ca 0.09 0.88 -0.07 0.00 0.47 0.00 0.00 55.06 56.43 1nmq s HIS 257 Cb 0.05 -2.22 0.01 0.00 -0.13 0.00 0.00 32.58 30.29 1nmq s HIS 257 CO 0.06 0.54 0.99 0.00 -2.47 0.00 0.00 174.74 173.86 1nmq n ALA 258 N 1.11 -1.17 -2.90 1.58 0.00 0.55 -4.93 120.51 114.75 1nmq n ALA 258 Ca -0.09 0.31 -0.25 0.00 0.00 0.00 0.00 53.44 53.41 1nmq n ALA 258 Cb 0.52 -4.52 -0.03 0.00 0.00 0.00 0.00 19.45 15.43 1nmq n ALA 258 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1nmq s LYS 259 N -6.02 3.46 0.46 0.00 -0.14 -1.25 -4.76 119.74 111.48 1nmq s LYS 259 Ca 0.45 -0.57 0.06 0.00 -1.36 0.00 0.00 55.97 54.54 1nmq s LYS 259 Cb -0.20 -2.91 -0.03 0.00 -1.68 0.00 0.00 37.83 33.02 1nmq s LYS 259 CO 0.62 0.46 0.17 0.15 -0.76 0.00 0.00 175.35 175.99 1nmq s LYS 260 N -3.48 2.20 -0.16 1.68 -0.14 0.12 -1.41 119.74 118.54 1nmq s LYS 260 Ca 0.35 -2.03 -0.15 0.00 -1.36 0.00 0.00 55.97 52.79 1nmq s LYS 260 Cb -0.10 -1.88 0.04 0.00 -1.68 0.00 0.00 37.83 34.21 1nmq s LYS 260 CO 0.29 -0.27 0.44 -1.14 -0.76 0.00 0.00 175.35 173.91 1nmq s GLN 261 N -3.96 0.50 -0.08 1.68 0.74 -1.26 -4.28 119.66 112.99 1nmq s GLN 261 Ca 0.31 0.63 0.03 0.00 0.05 0.00 0.00 55.36 56.38 1nmq s GLN 261 Cb 0.03 0.22 0.01 0.00 1.10 0.00 0.00 33.01 34.37 1nmq s GLN 261 CO 0.18 -0.07 -0.17 -1.50 -0.55 0.00 0.00 175.29 173.18 1nmq s ILE 262 N 0.35 1.50 0.79 -2.34 1.10 -1.26 -3.77 121.20 117.57 1nmq s ILE 262 Ca -0.01 -0.69 -0.12 0.00 -0.51 0.00 0.00 60.65 59.33 1nmq s ILE 262 Cb -0.04 -1.33 0.06 0.00 0.15 0.00 0.00 42.46 41.31 1nmq s ILE 262 CO -0.01 0.44 1.11 -2.84 -2.11 0.00 0.00 174.94 171.52 1nmq s PRO 263 N 0.56 2.17 -0.23 3.50 0.02 -1.25 -1.91 135.00 137.86 1nmq s PRO 263 Ca -0.16 0.52 -0.01 0.00 0.02 0.00 0.00 61.00 61.37 1nmq s PRO 263 Cb -0.17 -1.94 0.07 0.00 0.02 0.00 0.00 34.50 32.48 1nmq s PRO 263 CO 0.05 -1.53 0.02 0.00 -0.33 0.00 0.00 177.00 175.22 1nmq s ILE 265 N 1.68 4.63 -0.36 0.00 1.01 -1.26 -0.90 121.20 126.00 1nmq s ILE 265 Ca -0.00 1.28 -0.01 0.00 0.00 0.00 0.00 60.65 61.93 1nmq s ILE 265 Cb -0.18 -4.30 0.09 0.00 0.01 0.00 0.00 42.46 38.08 1nmq s ILE 265 CO -0.11 -0.45 0.10 -0.69 0.00 0.00 0.00 174.94 173.79 1nmq s VAL 266 N 3.37 2.90 -0.17 2.92 1.01 -0.01 -5.00 120.40 125.41 1nmq s VAL 266 Ca 0.38 -1.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.40 1nmq s VAL 266 Cb -0.13 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 1nmq s VAL 266 CO 0.16 -0.48 -0.07 -0.55 0.00 0.00 0.00 175.10 174.17 1nmq s SER 267 N 1.41 4.36 -0.18 3.32 0.15 -1.26 -0.32 113.70 121.18 1nmq s SER 267 Ca 0.04 -0.29 0.14 0.00 0.70 0.00 0.00 55.95 56.55 1nmq s SER 267 Cb -0.21 -1.71 0.36 0.00 -1.71 0.00 0.00 66.02 62.75 1nmq s SER 267 CO -0.04 0.09 1.19 0.23 1.20 0.00 0.00 173.24 175.91 1nmq n MET 268 N 4.03 1.46 -2.41 5.44 2.81 -0.18 -5.04 117.12 123.22 1nmq n MET 268 Ca -0.18 -3.00 -0.36 0.00 -1.81 0.00 0.00 57.70 52.36 1nmq n MET 268 Cb 0.52 -1.57 -0.02 0.00 -0.71 0.00 0.00 33.22 31.44 1nmq n MET 268 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1nmq s LEU 269 N -3.08 3.95 0.00 4.03 1.43 -1.19 -0.93 118.68 122.89 1nmq s LEU 269 Ca 0.35 2.11 0.11 0.00 -1.03 0.00 0.00 54.13 55.67 1nmq s LEU 269 Cb 0.33 -4.38 0.22 0.00 0.03 0.00 0.00 46.19 42.39 1nmq s LEU 269 CO -0.03 -0.83 1.10 0.35 0.23 0.00 0.00 176.35 177.17 1nmq n THR 270 N -0.68 0.61 -3.88 5.49 -2.24 -1.26 -4.87 114.28 107.45 1nmq n THR 270 Ca 0.08 -0.81 -0.09 0.00 -2.27 0.00 0.00 64.05 60.96 1nmq n THR 270 Cb 0.50 0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 69.45 1nmq n THR 270 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1nmq s LYS 271 N -0.97 1.12 0.50 -0.78 1.02 -1.26 -5.00 119.74 114.36 1nmq s LYS 271 Ca 0.19 -1.05 -0.19 0.00 0.02 0.00 0.00 55.97 54.94 1nmq s LYS 271 Cb 0.11 0.40 -0.08 0.00 -0.52 0.00 0.00 37.83 37.74 1nmq s LYS 271 CO 0.15 -0.41 1.03 -1.21 -0.92 0.00 0.00 175.35 173.99 1nmq s GLU 272 N -3.92 3.77 -0.16 1.68 2.02 -0.00 -4.78 118.70 117.31 1nmq s GLU 272 Ca 0.12 1.29 0.01 0.00 0.02 0.00 0.00 54.97 56.41 1nmq s GLU 272 Cb 0.03 -2.10 0.02 0.00 0.10 0.00 0.00 34.13 32.18 1nmq s GLU 272 CO -0.04 -0.44 -0.18 -1.17 0.02 0.00 0.00 175.26 173.45 1nmq s LEU 273 N -3.65 1.97 -0.01 1.80 0.20 -1.26 -1.42 118.68 116.31 1nmq s LEU 273 Ca 0.66 -0.58 0.07 0.00 0.69 0.00 0.00 54.13 54.96 1nmq s LEU 273 Cb -0.15 -1.36 -0.02 0.00 -0.43 0.00 0.00 46.19 44.23 1nmq s LEU 273 CO 0.23 -0.01 -0.21 -0.31 -0.29 0.00 0.00 176.35 175.76 1nmq s TYR 274 N 1.28 1.91 -0.25 5.38 2.02 -1.26 -0.32 117.35 126.10 1nmq s TYR 274 Ca 0.03 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.39 1nmq s TYR 274 Cb -0.13 -1.21 0.36 0.00 -0.40 0.00 0.00 41.96 40.58 1nmq s TYR 274 CO -0.10 -0.01 1.48 1.19 -1.57 0.00 0.00 175.55 176.54 1nmq n PHE 275 N 2.43 1.63 -3.57 2.71 3.72 -1.26 -4.86 117.46 118.26 1nmq n PHE 275 Ca -0.16 -1.19 -0.04 0.00 -0.05 0.00 0.00 57.45 56.01 1nmq n PHE 275 Cb 0.53 -0.61 -0.00 0.00 -0.94 0.00 0.00 39.48 38.45 1nmq n PHE 275 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1nmq n TYR 276 N -0.36 -1.02 -1.51 1.38 0.18 -1.26 -4.95 117.16 109.62 1nmq n TYR 276 Ca 0.32 -0.75 0.00 0.00 1.88 0.00 0.00 57.90 59.35 1nmq n TYR 276 Cb 1.12 0.23 0.00 0.00 -0.38 0.00 0.00 39.34 40.31 1nmq n TYR 276 CO 0.00 0.00 0.00 -2.39 -2.08 0.00 0.00 176.86 172.39