#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ngb n TRP 45 N 0.00 -1.92 -3.81 1.45 2.14 -1.26 -3.59 117.44 110.45 3ngb n TRP 45 Ca 0.00 -2.15 -0.09 0.00 2.07 0.00 0.00 57.50 57.32 3ngb n TRP 45 Cb 0.00 0.75 -0.07 0.00 -0.81 0.00 0.00 31.31 31.18 3ngb n TRP 45 CO 0.00 0.00 0.00 -1.59 2.07 0.00 0.00 177.69 178.17 3ngb s LYS 46 N -2.47 0.86 -0.07 -2.67 -2.85 -0.94 -4.98 119.74 106.62 3ngb s LYS 46 Ca 0.23 -0.85 -0.30 0.00 -1.00 0.00 0.00 55.97 54.06 3ngb s LYS 46 Cb -0.03 0.36 -0.05 0.00 -2.06 0.00 0.00 37.83 36.05 3ngb s LYS 46 CO 0.17 -0.28 1.53 -0.51 0.10 0.00 0.00 175.35 176.35 3ngb s ASP 47 N -2.71 6.76 0.07 0.03 1.11 -1.26 -1.32 116.67 119.35 3ngb s ASP 47 Ca 0.03 2.09 -0.11 0.00 0.18 0.00 0.00 52.55 54.74 3ngb s ASP 47 Cb 0.03 -2.54 0.01 0.00 1.07 0.00 0.00 42.92 41.49 3ngb s ASP 47 CO -0.10 -0.86 0.25 0.00 1.18 0.00 0.00 175.17 175.64 3ngb s ALA 48 N 3.68 -0.46 -0.08 5.23 0.00 -1.22 -4.90 121.76 124.01 3ngb s ALA 48 Ca 0.68 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.35 3ngb s ALA 48 Cb -0.30 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 3ngb s ALA 48 CO 0.25 -0.47 -0.18 -0.51 0.00 0.00 0.00 175.76 174.85 3ngb s ASP 49 N -2.50 3.65 0.21 0.00 1.01 -1.26 -4.40 116.67 113.38 3ngb s ASP 49 Ca 0.00 -0.37 -0.05 0.00 0.71 0.00 0.00 52.55 52.85 3ngb s ASP 49 Cb 0.02 -1.17 -0.03 0.00 1.01 0.00 0.00 42.92 42.75 3ngb s ASP 49 CO -0.08 0.24 0.24 0.28 0.21 0.00 0.00 175.17 176.06 3ngb s THR 50 N -0.08 0.00 -0.50 -1.27 -1.32 -1.26 -5.12 115.64 106.09 3ngb s THR 50 Ca -0.04 -1.81 -0.29 0.00 -1.21 0.00 0.00 61.69 58.35 3ngb s THR 50 Cb -0.14 -2.40 0.03 0.00 -1.51 0.00 0.00 72.50 68.48 3ngb s THR 50 CO 0.04 -0.00 1.19 -0.89 -2.21 0.00 0.00 174.62 172.75 3ngb s THR 51 N -4.11 4.11 0.73 5.08 2.01 -1.26 -5.02 115.64 117.19 3ngb s THR 51 Ca 0.34 1.10 -0.11 0.00 0.31 0.00 0.00 61.69 63.32 3ngb s THR 51 Cb 0.05 -4.59 0.03 0.00 0.01 0.00 0.00 72.50 67.99 3ngb s THR 51 CO 0.11 -1.07 1.09 -0.76 -0.69 0.00 0.00 174.62 173.30 3ngb s LEU 52 N 4.73 2.82 0.00 4.42 1.43 -1.26 -4.61 118.68 126.21 3ngb s LEU 52 Ca 0.48 1.23 0.07 0.00 -1.03 0.00 0.00 54.13 54.88 3ngb s LEU 52 Cb -0.08 -3.98 -0.02 0.00 0.03 0.00 0.00 46.19 42.15 3ngb s LEU 52 CO 0.30 -1.54 -0.21 0.72 0.23 0.00 0.00 176.35 175.85 3ngb s PHE 53 N -3.27 1.86 0.54 0.29 -0.71 -0.69 -4.95 117.98 111.06 3ngb s PHE 53 Ca 0.59 -0.36 -0.01 0.00 -1.04 0.00 0.00 56.93 56.11 3ngb s PHE 53 Cb -0.12 -1.17 0.02 0.00 -1.21 0.00 0.00 43.02 40.53 3ngb s PHE 53 CO 0.53 0.01 0.79 0.00 -1.34 0.00 0.00 175.22 175.21 3ngb s ALA 55 N -2.79 -1.37 0.20 0.00 0.00 0.32 -2.15 121.76 115.98 3ngb s ALA 55 Ca 0.54 1.67 -0.15 0.00 0.00 0.00 0.00 51.96 54.01 3ngb s ALA 55 Cb -0.10 -0.98 0.02 0.00 0.00 0.00 0.00 23.12 22.05 3ngb s ALA 55 CO 0.40 -0.28 0.48 -1.54 0.00 0.00 0.00 175.76 174.83 3ngb s SER 56 N 0.70 -0.18 -0.22 0.00 1.04 -0.30 0.20 113.70 114.94 3ngb s SER 56 Ca -0.03 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 55.78 3ngb s SER 56 Cb -0.05 0.56 0.26 0.00 0.10 0.00 0.00 66.02 66.89 3ngb s SER 56 CO -0.05 -1.05 1.56 0.47 0.98 0.00 0.00 173.24 175.15 3ngb n ASP 57 N -0.33 4.15 -4.73 7.02 8.00 -1.26 -3.53 116.55 125.87 3ngb n ASP 57 Ca -0.08 -2.77 -0.42 0.00 0.71 0.00 0.00 54.79 52.23 3ngb n ASP 57 Cb 0.62 -0.76 -0.02 0.00 -0.02 0.00 0.00 41.12 40.95 3ngb n ASP 57 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ngb n ALA 58 N -0.02 2.09 -2.55 2.24 0.00 -1.26 -4.97 120.51 116.04 3ngb n ALA 58 Ca 0.26 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.68 3ngb n ALA 58 Cb 0.88 -2.40 -0.11 0.00 0.00 0.00 0.00 19.45 17.83 3ngb n ALA 58 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3ngb s LYS 59 N -0.82 3.66 0.44 0.00 1.02 -1.26 -4.91 119.74 117.86 3ngb s LYS 59 Ca 0.63 -0.50 0.20 0.00 0.02 0.00 0.00 55.97 56.31 3ngb s LYS 59 Cb -0.53 -3.76 1.04 0.00 -0.52 0.00 0.00 37.83 34.05 3ngb s LYS 59 CO 0.52 -0.36 1.93 0.00 -0.92 0.00 0.00 175.35 176.52 3ngb h ALA 60 N 8.44 1.34 0.00 5.17 0.00 -1.93 -1.74 119.26 130.53 3ngb h ALA 60 Ca -0.32 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3ngb h ALA 60 Cb 1.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ngb h ALA 60 CO 0.61 0.30 0.00 1.12 0.00 0.00 0.00 179.25 181.29 3ngb h HIS 61 N 0.00 0.00 -3.74 0.00 2.07 -1.96 -3.45 115.15 108.06 3ngb h HIS 61 Ca -0.00 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.01 3ngb h HIS 61 Cb 0.52 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.51 3ngb h HIS 61 CO 0.00 0.00 0.46 -2.00 -3.07 0.00 0.00 177.93 173.32 3ngb s GLU 62 N -3.29 4.66 0.00 5.12 2.56 -0.66 -4.93 118.70 122.16 3ngb s GLU 62 Ca 0.06 1.74 0.27 0.00 0.00 0.00 0.00 54.97 57.05 3ngb s GLU 62 Cb 0.09 -3.22 0.87 0.00 2.00 0.00 0.00 34.13 33.88 3ngb s GLU 62 CO 0.54 0.22 1.65 -2.37 -0.56 0.00 0.00 175.26 174.73 3ngb n THR 63 N 1.51 0.00 -2.26 -1.70 5.66 -1.26 -4.56 114.28 111.67 3ngb n THR 63 Ca -0.00 -0.29 -0.41 0.00 -3.05 0.00 0.00 64.05 60.29 3ngb n THR 63 Cb 0.45 0.69 -0.03 0.00 -1.55 0.00 0.00 70.33 69.89 3ngb n THR 63 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3ngb s GLU 64 N -2.02 4.42 0.18 1.09 -6.30 -1.26 -4.62 118.70 110.19 3ngb s GLU 64 Ca 0.36 2.01 -0.18 0.00 -2.50 0.00 0.00 54.97 54.66 3ngb s GLU 64 Cb 0.21 -3.20 0.14 0.00 0.00 0.00 0.00 34.13 31.28 3ngb s GLU 64 CO 0.33 -0.19 1.63 0.28 0.02 0.00 0.00 175.26 177.33 3ngb h VAL 65 N 3.67 0.37 -0.19 3.70 2.07 -1.27 -1.82 116.25 122.78 3ngb h VAL 65 Ca -0.45 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3ngb h VAL 65 Cb 1.21 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3ngb h VAL 65 CO 0.75 0.00 0.08 0.45 0.02 0.00 0.00 177.57 178.87 3ngb h HIS 66 N -0.09 0.29 -0.83 1.57 3.86 -1.84 -2.43 115.15 115.68 3ngb h HIS 66 Ca 0.23 -0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.51 3ngb h HIS 66 Cb 0.45 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.78 3ngb h HIS 66 CO -0.48 0.34 0.54 -0.91 0.86 0.00 0.00 177.93 178.27 3ngb h ASN 67 N 0.16 0.73 -0.49 2.45 2.35 -1.78 -1.75 115.58 117.25 3ngb h ASN 67 Ca 0.06 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 3ngb h ASN 67 Cb 0.17 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 3ngb h ASN 67 CO -0.01 0.44 0.05 0.58 -1.65 0.00 0.00 177.43 176.85 3ngb h VAL 68 N 0.81 1.25 -0.04 2.81 2.07 -1.03 -2.51 116.25 119.61 3ngb h VAL 68 Ca 0.38 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3ngb h VAL 68 Cb 0.38 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3ngb h VAL 68 CO -0.15 0.35 0.00 -0.25 0.02 0.00 0.00 177.57 177.54 3ngb h TRP 69 N 0.69 0.08 0.00 1.57 7.01 -0.91 -2.94 115.95 121.45 3ngb h TRP 69 Ca 0.14 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 3ngb h TRP 69 Cb 0.44 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.48 3ngb h TRP 69 CO 0.03 0.34 -0.01 0.00 -2.79 0.00 0.00 178.44 176.01 3ngb h ALA 70 N 0.73 1.03 -0.27 2.65 0.00 -1.36 -2.45 119.26 119.59 3ngb h ALA 70 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3ngb h ALA 70 Cb 0.31 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3ngb h ALA 70 CO 0.00 0.01 0.03 1.15 0.00 0.00 0.00 179.25 180.44 3ngb h THR 71 N 0.00 1.24 0.00 0.00 2.02 -1.25 0.30 112.91 115.21 3ngb h THR 71 Ca -0.00 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.34 3ngb h THR 71 Cb 0.23 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3ngb h THR 71 CO 0.00 0.27 -0.97 0.00 0.37 0.00 0.00 175.52 175.19 3ngb n HIS 72 N -4.64 0.40 -0.11 3.16 1.44 -1.09 -4.49 115.22 109.89 3ngb n HIS 72 Ca -0.03 0.12 -0.23 0.00 -2.01 0.00 0.00 57.72 55.57 3ngb n HIS 72 Cb 0.22 -0.54 -0.08 0.00 0.12 0.00 0.00 29.99 29.71 3ngb n HIS 72 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3ngb n ALA 73 N -1.88 1.49 -2.11 1.59 0.00 -0.94 -5.04 120.51 113.62 3ngb n ALA 73 Ca 0.02 -0.89 -0.17 0.00 0.00 0.00 0.00 53.44 52.39 3ngb n ALA 73 Cb 0.45 0.19 0.13 0.00 0.00 0.00 0.00 19.45 20.22 3ngb n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ngb s VAL 75 N -2.80 0.79 0.42 0.00 -7.23 -0.91 -4.76 120.40 105.91 3ngb s VAL 75 Ca 0.55 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.47 3ngb s VAL 75 Cb -0.02 -2.21 -0.10 0.00 0.56 0.00 0.00 36.38 34.60 3ngb s VAL 75 CO 0.37 -0.41 1.06 -2.65 -0.31 0.00 0.00 175.10 173.17 3ngb n PRO 76 N -0.31 1.45 -2.32 4.82 -0.02 -1.26 -1.15 135.00 136.21 3ngb n PRO 76 Ca -0.06 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.54 3ngb n PRO 76 Cb 0.63 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 3ngb n PRO 76 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ngb s THR 77 N -1.26 3.23 -0.16 3.45 2.01 -1.23 -4.67 115.64 117.01 3ngb s THR 77 Ca 0.63 1.17 -0.29 0.00 0.31 0.00 0.00 61.69 63.51 3ngb s THR 77 Cb -0.55 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 3ngb s THR 77 CO 0.57 0.25 1.76 -0.62 -0.69 0.00 0.00 174.62 175.89 3ngb s ASP 78 N -0.45 6.30 0.54 3.53 3.68 -1.26 -4.88 116.67 124.12 3ngb s ASP 78 Ca 0.49 1.90 0.22 0.00 2.13 0.00 0.00 52.55 57.29 3ngb s ASP 78 Cb -0.35 -2.53 1.46 0.00 -1.45 0.00 0.00 42.92 40.05 3ngb s ASP 78 CO 0.44 -1.28 2.17 -0.65 0.13 0.00 0.00 175.17 175.97 3ngb h PRO 79 N 11.17 0.00 -3.15 4.34 0.11 -2.04 -3.31 132.00 139.11 3ngb h PRO 79 Ca -0.38 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.09 3ngb h PRO 79 Cb 1.18 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.89 3ngb h PRO 79 CO 0.98 0.03 -0.46 0.54 -0.21 0.00 0.00 178.00 178.87 3ngb s ASN 80 N -6.67 5.10 -0.03 -2.05 2.20 -1.26 -5.08 114.94 107.15 3ngb s ASN 80 Ca -0.05 -3.80 -0.35 0.00 -0.94 0.00 0.00 52.86 47.72 3ngb s ASN 80 Cb 0.16 -1.70 -0.13 0.00 -2.00 0.00 0.00 41.25 37.58 3ngb s ASN 80 CO 0.62 -0.11 1.75 -2.65 -2.94 0.00 0.00 177.10 173.77 3ngb n PRO 81 N 2.09 2.01 -3.59 3.55 -0.02 -1.25 -4.95 135.00 132.84 3ngb n PRO 81 Ca 0.20 0.73 -0.40 0.00 -2.02 0.00 0.00 63.50 62.01 3ngb n PRO 81 Cb 0.35 -2.53 -0.11 0.00 -0.02 0.00 0.00 33.50 31.19 3ngb n PRO 81 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3ngb s GLN 82 N 2.94 3.07 0.06 -0.52 2.00 -1.26 -5.08 119.66 120.87 3ngb s GLN 82 Ca 0.89 -0.92 0.08 0.00 -2.00 0.00 0.00 55.36 53.41 3ngb s GLN 82 Cb -0.74 -3.73 -0.03 0.00 0.80 0.00 0.00 33.01 29.31 3ngb s GLN 82 CO 0.49 -0.60 -0.20 -1.83 -0.50 0.00 0.00 175.29 172.65 3ngb s GLU 83 N 1.61 1.94 -0.26 1.67 -1.05 -1.26 -3.95 118.70 117.41 3ngb s GLU 83 Ca 0.04 -1.05 -0.02 0.00 -0.15 0.00 0.00 54.97 53.78 3ngb s GLU 83 Cb -0.18 -2.12 0.08 0.00 -0.44 0.00 0.00 34.13 31.47 3ngb s GLU 83 CO 0.07 0.52 0.07 0.42 0.95 0.00 0.00 175.26 177.29 3ngb s ILE 84 N -0.94 0.65 -0.52 1.83 1.01 0.22 -4.92 121.20 118.53 3ngb s ILE 84 Ca 0.14 -0.97 -0.27 0.00 0.00 0.00 0.00 60.65 59.55 3ngb s ILE 84 Cb -0.10 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 3ngb s ILE 84 CO 0.05 -0.46 1.68 -2.28 0.00 0.00 0.00 174.94 173.93 3ngb s HIS 85 N 1.76 1.94 -0.24 3.97 5.65 -1.26 -0.31 115.29 126.79 3ngb s HIS 85 Ca 0.04 0.63 -0.29 0.00 0.25 0.00 0.00 55.06 55.70 3ngb s HIS 85 Cb -0.17 -4.21 -0.00 0.00 -1.18 0.00 0.00 32.58 27.01 3ngb s HIS 85 CO -0.18 -2.34 1.26 -0.51 -0.65 0.00 0.00 174.74 172.32 3ngb s LEU 86 N 7.37 4.02 0.14 8.88 1.43 -0.96 -4.98 118.68 134.58 3ngb s LEU 86 Ca 0.65 1.42 -0.06 0.00 -1.03 0.00 0.00 54.13 55.11 3ngb s LEU 86 Cb -0.14 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.48 3ngb s LEU 86 CO 0.26 -0.92 0.40 -1.61 0.23 0.00 0.00 176.35 174.71 3ngb s GLU 87 N 3.82 3.66 -1.57 1.70 2.02 -1.26 -4.31 118.70 122.75 3ngb s GLU 87 Ca 0.55 -0.01 -0.04 0.00 0.02 0.00 0.00 54.97 55.48 3ngb s GLU 87 Cb -0.19 -2.85 0.01 0.00 0.10 0.00 0.00 34.13 31.21 3ngb s GLU 87 CO 0.18 0.46 0.53 0.09 0.02 0.00 0.00 175.26 176.55 3ngb n ASN 88 N 0.18 -6.01 -4.23 -0.19 4.13 -1.26 -4.99 115.26 102.89 3ngb n ASN 88 Ca -0.03 -0.26 -0.24 0.00 1.68 0.00 0.00 54.58 55.73 3ngb n ASN 88 Cb 0.52 -4.87 -0.14 0.00 -1.54 0.00 0.00 39.78 33.75 3ngb n ASN 88 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3ngb s VAL 89 N -3.15 1.56 -0.22 2.41 0.11 -1.26 -5.12 120.40 114.72 3ngb s VAL 89 Ca 0.27 -1.22 -0.03 0.00 -2.93 0.00 0.00 61.98 58.07 3ngb s VAL 89 Cb -0.12 -1.37 0.10 0.00 -1.53 0.00 0.00 36.38 33.45 3ngb s VAL 89 CO 0.34 0.11 0.23 0.28 -3.33 0.00 0.00 175.10 172.73 3ngb s THR 90 N -0.88 -0.32 0.22 5.04 -1.32 -1.26 -4.52 115.64 112.60 3ngb s THR 90 Ca 0.06 -0.20 0.07 0.00 -1.21 0.00 0.00 61.69 60.41 3ngb s THR 90 Cb -0.09 -0.74 -0.04 0.00 -1.51 0.00 0.00 72.50 70.12 3ngb s THR 90 CO 0.02 -0.27 0.09 -1.61 -2.21 0.00 0.00 174.62 170.64 3ngb s GLU 91 N 2.32 2.66 -0.07 7.08 0.41 -1.23 -4.85 118.70 125.01 3ngb s GLU 91 Ca 0.07 -1.10 -0.10 0.00 -0.41 0.00 0.00 54.97 53.43 3ngb s GLU 91 Cb -0.15 -2.44 -0.05 0.00 -1.78 0.00 0.00 34.13 29.70 3ngb s GLU 91 CO -0.16 0.42 0.24 -0.80 -0.49 0.00 0.00 175.26 174.47 3ngb s ASN 92 N -3.43 6.54 -0.03 -0.19 -0.87 -1.26 -0.57 114.94 115.13 3ngb s ASN 92 Ca 0.31 0.64 0.07 0.00 -1.57 0.00 0.00 52.86 52.31 3ngb s ASN 92 Cb -0.08 -2.13 -0.02 0.00 -0.02 0.00 0.00 41.25 39.00 3ngb s ASN 92 CO 0.22 0.37 -0.26 -0.36 -2.57 0.00 0.00 177.10 174.51 3ngb s PHE 93 N -1.06 2.34 -0.56 2.20 0.08 -0.73 -4.96 117.98 115.29 3ngb s PHE 93 Ca 0.19 -0.52 0.04 0.00 0.12 0.00 0.00 56.93 56.76 3ngb s PHE 93 Cb -0.14 -1.51 0.15 0.00 -0.57 0.00 0.00 43.02 40.95 3ngb s PHE 93 CO 0.08 -0.09 0.36 1.21 -0.10 0.00 0.00 175.22 176.68 3ngb s ASN 94 N -0.48 4.00 0.57 1.36 3.84 -1.26 -2.22 114.94 120.76 3ngb s ASN 94 Ca 0.06 -3.28 0.30 0.00 0.21 0.00 0.00 52.86 50.15 3ngb s ASN 94 Cb -0.11 -1.34 1.44 0.00 -0.55 0.00 0.00 41.25 40.68 3ngb s ASN 94 CO 0.00 -0.17 1.83 -0.03 -2.79 0.00 0.00 177.10 175.94 3ngb h MET 95 N 5.99 0.00 -0.63 0.43 1.85 -1.37 0.12 114.93 121.31 3ngb h MET 95 Ca 0.07 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.16 3ngb h MET 95 Cb 0.84 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.87 3ngb h MET 95 CO 0.61 0.00 0.00 0.91 -0.40 0.00 0.00 176.91 178.03 3ngb n TRP 96 N -3.84 0.83 -2.68 1.39 7.02 -1.26 -3.99 117.44 114.91 3ngb n TRP 96 Ca 0.14 -0.42 0.01 0.00 -1.02 0.00 0.00 57.50 56.21 3ngb n TRP 96 Cb 0.88 0.00 0.04 0.00 -2.42 0.00 0.00 31.31 29.81 3ngb n TRP 96 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3ngb n LYS 97 N 1.36 1.02 -3.52 -0.99 4.76 0.41 -5.08 118.16 116.11 3ngb n LYS 97 Ca 0.21 -2.79 -0.38 0.00 -2.87 0.00 0.00 58.31 52.48 3ngb n LYS 97 Cb 0.54 -0.88 -0.09 0.00 -1.84 0.00 0.00 35.03 32.76 3ngb n LYS 97 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3ngb s ASN 98 N -2.96 6.21 0.44 4.39 2.47 -1.16 -4.94 114.94 119.40 3ngb s ASN 98 Ca 0.28 0.23 0.22 0.00 0.42 0.00 0.00 52.86 54.02 3ngb s ASN 98 Cb 0.34 -2.16 1.02 0.00 -1.45 0.00 0.00 41.25 39.00 3ngb s ASN 98 CO -0.09 -0.05 1.89 -1.13 -3.72 0.00 0.00 177.10 174.00 3ngb h ASN 99 N 7.77 0.00 -0.94 -4.21 -0.73 -1.96 -3.03 115.58 112.48 3ngb h ASN 99 Ca -0.36 0.00 0.10 0.00 1.87 0.00 0.00 56.30 57.92 3ngb h ASN 99 Cb 1.17 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.69 3ngb h ASN 99 CO 0.65 0.25 0.60 0.24 -0.37 0.00 0.00 177.43 178.80 3ngb h MET 100 N 0.00 0.91 -0.91 6.67 2.86 -1.96 0.67 114.93 123.18 3ngb h MET 100 Ca -0.00 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3ngb h MET 100 Cb 0.62 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 32.03 3ngb h MET 100 CO 0.03 0.60 0.60 0.28 1.06 0.00 0.00 176.91 179.48 3ngb h VAL 101 N 0.93 1.22 -0.09 -2.22 2.07 -1.89 -1.08 116.25 115.20 3ngb h VAL 101 Ca 0.44 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 3ngb h VAL 101 Cb 0.43 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3ngb h VAL 101 CO -0.21 0.22 -0.21 -0.33 0.02 0.00 0.00 177.57 177.07 3ngb h GLU 102 N 1.21 0.14 0.22 1.57 4.39 -1.01 -1.24 114.58 119.87 3ngb h GLU 102 Ca 0.34 -0.04 -0.33 0.00 0.34 0.00 0.00 59.36 59.67 3ngb h GLU 102 Cb -0.12 -0.02 0.02 0.00 -0.10 0.00 0.00 28.75 28.54 3ngb h GLU 102 CO -0.08 0.35 -1.53 1.96 -1.16 0.00 0.00 179.01 178.55 3ngb h GLN 103 N 0.13 0.46 -0.86 2.33 4.20 -0.95 -2.78 115.11 117.64 3ngb h GLN 103 Ca 0.02 -0.78 -0.00 0.00 0.06 0.00 0.00 58.65 57.95 3ngb h GLN 103 Cb 0.45 0.29 -0.04 0.00 0.30 0.00 0.00 27.48 28.47 3ngb h GLN 103 CO 0.03 1.37 0.52 1.98 -0.67 0.00 0.00 178.83 182.06 3ngb h MET 104 N 0.06 1.16 -0.01 1.46 4.05 -1.12 -2.04 114.93 118.49 3ngb h MET 104 Ca -0.29 -0.10 -0.00 0.00 -0.28 0.00 0.00 59.70 59.03 3ngb h MET 104 Cb 2.08 -0.25 -0.00 0.00 -0.80 0.00 0.00 31.60 32.63 3ngb h MET 104 CO 0.22 0.81 0.00 0.37 0.23 0.00 0.00 176.91 178.54 3ngb h GLN 105 N 1.18 0.02 -0.47 0.39 -0.00 -1.29 -0.70 115.11 114.25 3ngb h GLN 105 Ca 0.31 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.95 3ngb h GLN 105 Cb -0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.40 3ngb h GLN 105 CO -0.06 0.16 0.27 1.49 0.00 0.00 0.00 178.83 180.69 3ngb h GLU 106 N -0.13 0.63 0.08 1.69 4.81 -1.33 -0.18 114.58 120.15 3ngb h GLU 106 Ca 0.00 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3ngb h GLU 106 Cb 0.15 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3ngb h GLU 106 CO -0.00 0.45 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.26 3ngb h ASP 107 N 0.64 -0.09 -0.99 1.04 5.19 -1.11 -1.64 116.42 119.47 3ngb h ASP 107 Ca 0.17 -0.35 0.03 0.00 -0.62 0.00 0.00 57.03 56.26 3ngb h ASP 107 Cb -0.01 0.02 -0.06 0.00 0.18 0.00 0.00 39.33 39.47 3ngb h ASP 107 CO -0.03 0.32 0.65 0.58 -3.12 0.00 0.00 179.24 177.64 3ngb h VAL 108 N -0.51 1.19 0.16 -1.35 2.07 -0.81 0.27 116.25 117.28 3ngb h VAL 108 Ca -0.01 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 3ngb h VAL 108 Cb 0.43 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3ngb h VAL 108 CO 0.02 0.23 -0.11 0.40 0.02 0.00 0.00 177.57 178.13 3ngb h ILE 109 N 1.28 0.76 -0.79 4.57 2.04 -1.03 -0.55 117.51 123.78 3ngb h ILE 109 Ca 0.39 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.34 3ngb h ILE 109 Cb -0.03 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 36.73 3ngb h ILE 109 CO -0.11 0.00 0.44 -1.28 0.00 0.00 0.00 178.15 177.19 3ngb h SER 110 N -0.27 0.61 -0.32 1.72 0.87 -0.51 0.78 113.55 116.43 3ngb h SER 110 Ca -0.01 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 3ngb h SER 110 Cb 0.24 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 3ngb h SER 110 CO 0.01 0.34 0.15 0.25 -0.53 0.00 0.00 176.83 177.05 3ngb h LEU 111 N 0.73 0.21 -0.69 2.23 6.46 -0.09 -2.81 115.31 121.35 3ngb h LEU 111 Ca 0.39 0.02 -0.14 0.00 -0.12 0.00 0.00 57.88 58.02 3ngb h LEU 111 Cb 0.38 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 3ngb h LEU 111 CO -0.26 0.16 -0.60 -0.50 -0.62 0.00 0.00 178.44 176.62 3ngb h TRP 112 N 0.31 0.24 0.00 1.25 4.06 -0.30 -2.63 115.95 118.88 3ngb h TRP 112 Ca 0.14 -0.09 -0.04 0.00 2.06 0.00 0.00 58.89 60.96 3ngb h TRP 112 Cb 0.07 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 3ngb h TRP 112 CO -0.11 0.74 -0.18 -0.44 -3.56 0.00 0.00 178.44 174.90 3ngb h ASP 113 N 0.14 0.00 -0.11 -3.49 3.45 -0.63 -2.50 116.42 113.27 3ngb h ASP 113 Ca -0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.45 3ngb h ASP 113 Cb 1.10 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.87 3ngb h ASP 113 CO 0.09 0.18 0.00 0.00 -1.57 0.00 0.00 179.24 177.94 3ngb n GLN 114 N -3.33 1.47 0.01 3.56 10.64 -1.09 -4.77 117.38 123.88 3ngb n GLN 114 Ca 0.00 -1.38 -0.02 0.00 -1.83 0.00 0.00 57.00 53.77 3ngb n GLN 114 Cb 0.41 -1.15 -0.01 0.00 -0.86 0.00 0.00 30.24 28.63 3ngb n GLN 114 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3ngb n SER 115 N 0.25 1.25 -4.68 2.61 7.64 -1.00 -4.99 113.62 114.71 3ngb n SER 115 Ca 0.06 0.18 -0.42 0.00 1.01 0.00 0.00 58.87 59.69 3ngb n SER 115 Cb 0.27 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.02 3ngb n SER 115 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ngb s LEU 116 N -7.10 4.35 -0.59 -3.43 2.01 -0.95 -4.96 118.68 108.00 3ngb s LEU 116 Ca -0.07 2.39 0.01 0.00 0.01 0.00 0.00 54.13 56.47 3ngb s LEU 116 Cb 0.01 -3.55 0.15 0.00 0.01 0.00 0.00 46.19 42.81 3ngb s LEU 116 CO 0.10 -0.90 0.37 -1.10 1.01 0.00 0.00 176.35 175.84 3ngb s GLN 117 N 3.23 2.32 0.23 1.70 -0.21 -1.26 -4.83 119.66 120.84 3ngb s GLN 117 Ca 0.74 -2.65 -0.30 0.00 0.02 0.00 0.00 55.36 53.17 3ngb s GLN 117 Cb -0.37 -3.54 -0.09 0.00 1.00 0.00 0.00 33.01 30.01 3ngb s GLN 117 CO 0.32 -1.15 1.33 -2.14 -2.12 0.00 0.00 175.29 171.52 3ngb s PRO 118 N -0.31 4.37 0.57 2.91 0.02 -1.26 -4.47 135.00 136.83 3ngb s PRO 118 Ca 0.18 2.12 0.34 0.00 0.02 0.00 0.00 61.00 63.65 3ngb s PRO 118 Cb -0.22 -3.16 1.68 0.00 0.02 0.00 0.00 34.50 32.83 3ngb s PRO 118 CO -0.03 -0.26 2.13 0.00 -0.33 0.00 0.00 177.00 178.51 3ngb s VAL 120 N -4.04 0.00 -0.22 0.00 0.11 -1.19 -3.07 120.40 111.99 3ngb s VAL 120 Ca -0.02 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 58.98 3ngb s VAL 120 Cb 0.12 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 34.05 3ngb s VAL 120 CO 0.53 0.00 0.12 -0.75 -3.33 0.00 0.00 175.10 171.67 3ngb s LYS 121 N -1.30 0.13 -0.48 1.54 2.20 0.07 -1.34 119.74 120.56 3ngb s LYS 121 Ca -0.10 -0.23 -0.18 0.00 -0.36 0.00 0.00 55.97 55.10 3ngb s LYS 121 Cb -0.00 -1.50 0.05 0.00 -1.51 0.00 0.00 37.83 34.87 3ngb s LYS 121 CO 0.08 -0.81 0.54 -0.51 -0.36 0.00 0.00 175.35 174.29 3ngb s LEU 122 N 2.14 5.07 -0.26 5.43 1.43 -0.78 -1.53 118.68 130.19 3ngb s LEU 122 Ca 0.05 -0.94 0.01 0.00 -1.03 0.00 0.00 54.13 52.23 3ngb s LEU 122 Cb -0.16 -2.39 0.07 0.00 0.03 0.00 0.00 46.19 43.74 3ngb s LEU 122 CO -0.20 -0.78 -0.02 0.28 0.23 0.00 0.00 176.35 175.85 3ngb s THR 123 N 2.34 1.59 0.00 5.49 -1.32 -1.10 -1.38 115.64 121.26 3ngb s THR 123 Ca 0.12 -1.42 0.00 0.00 -1.21 0.00 0.00 61.69 59.18 3ngb s THR 123 Cb -0.20 -1.93 0.00 0.00 -1.51 0.00 0.00 72.50 68.86 3ngb s THR 123 CO 0.11 -0.23 0.00 0.61 -2.21 0.00 0.00 174.62 172.90 3ngb n GLY 124 N 4.62 2.65 0.45 6.08 0.00 -1.26 -1.57 105.19 116.15 3ngb n GLY 124 Ca -0.09 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.75 3ngb n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ngb n GLY 198 N 0.00 0.03 3.94 -0.02 0.00 -1.26 -4.91 105.19 102.97 3ngb n GLY 198 Ca 0.00 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 3ngb n GLY 198 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ngb s SER 199 N -1.61 6.26 -0.27 1.61 0.15 -0.61 -5.10 113.70 114.13 3ngb s SER 199 Ca 0.32 0.52 -0.01 0.00 0.70 0.00 0.00 55.95 57.47 3ngb s SER 199 Cb 0.17 -2.04 0.16 0.00 -1.71 0.00 0.00 66.02 62.61 3ngb s SER 199 CO 0.26 -0.36 0.49 0.54 1.20 0.00 0.00 173.24 175.36 3ngb s VAL 200 N -2.40 -0.79 -0.19 4.45 0.11 -1.26 -2.70 120.40 117.61 3ngb s VAL 200 Ca 0.42 -0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 59.36 3ngb s VAL 200 Cb -0.10 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 3ngb s VAL 200 CO 0.38 -0.08 0.02 -0.63 -3.33 0.00 0.00 175.10 171.46 3ngb s ILE 201 N 2.69 4.23 -0.07 7.04 1.09 -0.58 -4.93 121.20 130.67 3ngb s ILE 201 Ca 0.16 -0.22 0.02 0.00 -1.10 0.00 0.00 60.65 59.50 3ngb s ILE 201 Cb -0.15 -2.91 -0.03 0.00 -1.06 0.00 0.00 42.46 38.32 3ngb s ILE 201 CO -0.20 0.44 -0.11 -0.54 -0.10 0.00 0.00 174.94 174.43 3ngb s LYS 202 N 0.78 2.73 0.34 2.79 1.02 -1.26 -0.75 119.74 125.39 3ngb s LYS 202 Ca 0.01 -0.64 -0.11 0.00 0.02 0.00 0.00 55.97 55.25 3ngb s LYS 202 Cb -0.14 -2.50 0.03 0.00 -0.52 0.00 0.00 37.83 34.70 3ngb s LYS 202 CO 0.02 0.58 0.63 1.14 -0.92 0.00 0.00 175.35 176.80 3ngb s GLN 203 N -0.59 1.99 0.40 1.68 -2.07 -1.17 -5.01 119.66 114.88 3ngb s GLN 203 Ca 0.09 -1.47 -0.27 0.00 -1.82 0.00 0.00 55.36 51.89 3ngb s GLN 203 Cb -0.11 0.54 -0.09 0.00 -1.09 0.00 0.00 33.01 32.26 3ngb s GLN 203 CO 0.01 -0.88 1.35 0.00 -1.32 0.00 0.00 175.29 174.45 3ngb s ALA 204 N -2.97 3.33 -0.62 2.60 0.00 -1.26 -4.50 121.76 118.35 3ngb s ALA 204 Ca 0.21 1.32 0.06 0.00 0.00 0.00 0.00 51.96 53.55 3ngb s ALA 204 Cb -0.03 -3.52 0.29 0.00 0.00 0.00 0.00 23.12 19.86 3ngb s ALA 204 CO 0.14 -0.89 0.83 0.00 0.00 0.00 0.00 175.76 175.83 3ngb s PRO 206 N -2.87 4.50 0.47 0.00 0.02 -1.26 -4.79 135.00 131.06 3ngb s PRO 206 Ca 0.43 1.07 -0.25 0.00 0.02 0.00 0.00 61.00 62.28 3ngb s PRO 206 Cb 0.20 -3.35 -0.08 0.00 0.02 0.00 0.00 34.50 31.30 3ngb s PRO 206 CO -0.06 0.32 1.40 0.15 -0.33 0.00 0.00 177.00 178.48 3ngb s LYS 207 N -0.20 3.60 0.28 5.54 3.01 -1.26 -4.82 119.74 125.89 3ngb s LYS 207 Ca 0.38 2.35 0.09 0.00 -1.01 0.00 0.00 55.97 57.78 3ngb s LYS 207 Cb -0.21 -2.58 -0.05 0.00 -1.01 0.00 0.00 37.83 33.98 3ngb s LYS 207 CO 0.23 -0.86 -0.13 0.96 0.51 0.00 0.00 175.35 176.06 3ngb s ILE 208 N -1.23 2.05 -0.46 2.17 -4.36 -1.26 -5.10 121.20 113.01 3ngb s ILE 208 Ca 0.63 -2.25 -0.23 0.00 -0.26 0.00 0.00 60.65 58.54 3ngb s ILE 208 Cb -0.42 -2.36 0.03 0.00 1.25 0.00 0.00 42.46 40.96 3ngb s ILE 208 CO 0.54 -0.38 0.78 -0.55 0.24 0.00 0.00 174.94 175.57 3ngb s SER 209 N -3.47 6.38 -0.17 4.36 0.15 -1.26 -4.63 113.70 115.07 3ngb s SER 209 Ca 0.29 -0.20 -0.01 0.00 0.70 0.00 0.00 55.95 56.72 3ngb s SER 209 Cb -0.00 -2.38 -0.01 0.00 -1.71 0.00 0.00 66.02 61.92 3ngb s SER 209 CO 0.13 -0.93 -0.10 0.12 1.20 0.00 0.00 173.24 173.65 3ngb s PHE 210 N 3.27 2.87 -0.31 3.44 5.36 -1.26 -0.70 117.98 130.65 3ngb s PHE 210 Ca 0.28 -0.83 -0.08 0.00 -0.96 0.00 0.00 56.93 55.34 3ngb s PHE 210 Cb -0.13 -1.94 0.19 0.00 -0.34 0.00 0.00 43.02 40.80 3ngb s PHE 210 CO 0.21 -0.38 0.98 0.34 -1.46 0.00 0.00 175.22 174.91 3ngb s ASP 211 N 0.83 -0.57 0.39 6.13 3.68 -1.26 -4.07 116.67 121.80 3ngb s ASP 211 Ca -0.03 -0.05 -0.25 0.00 2.13 0.00 0.00 52.55 54.34 3ngb s ASP 211 Cb -0.15 1.14 -0.12 0.00 -1.45 0.00 0.00 42.92 42.34 3ngb s ASP 211 CO 0.01 -0.09 1.00 -2.65 0.13 0.00 0.00 175.17 173.57 3ngb n PRO 212 N 4.69 1.35 -4.44 4.34 -0.02 -1.26 -4.71 135.00 134.95 3ngb n PRO 212 Ca 0.08 0.48 -0.22 0.00 -2.02 0.00 0.00 63.50 61.82 3ngb n PRO 212 Cb 0.59 -1.98 -0.10 0.00 -0.02 0.00 0.00 33.50 31.98 3ngb n PRO 212 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3ngb s ILE 213 N -1.23 2.00 -0.02 4.25 -4.36 -1.26 -4.98 121.20 115.59 3ngb s ILE 213 Ca 0.62 -2.23 -0.30 0.00 -0.26 0.00 0.00 60.65 58.47 3ngb s ILE 213 Cb -0.59 -2.35 -0.05 0.00 1.25 0.00 0.00 42.46 40.72 3ngb s ILE 213 CO 0.58 -0.38 1.45 -2.84 0.24 0.00 0.00 174.94 173.99 3ngb s PRO 214 N -3.63 4.25 -0.17 0.37 0.02 -1.26 -4.31 135.00 130.27 3ngb s PRO 214 Ca 0.28 2.00 -0.02 0.00 0.02 0.00 0.00 61.00 63.29 3ngb s PRO 214 Cb 0.00 -3.67 -0.01 0.00 0.02 0.00 0.00 34.50 30.84 3ngb s PRO 214 CO 0.12 -0.65 -0.10 0.42 -0.33 0.00 0.00 177.00 176.46 3ngb s ILE 215 N 2.85 3.08 0.13 2.83 1.09 0.47 -4.48 121.20 127.17 3ngb s ILE 215 Ca 0.65 -0.62 -0.14 0.00 -1.10 0.00 0.00 60.65 59.45 3ngb s ILE 215 Cb -0.31 -2.34 -0.07 0.00 -1.06 0.00 0.00 42.46 38.68 3ngb s ILE 215 CO 0.26 0.48 0.53 -1.00 -0.10 0.00 0.00 174.94 175.12 3ngb s HIS 216 N 0.93 3.61 -0.18 3.97 3.76 0.13 -2.98 115.29 124.53 3ngb s HIS 216 Ca -0.02 1.03 -0.01 0.00 -0.15 0.00 0.00 55.06 55.91 3ngb s HIS 216 Cb -0.15 -2.35 0.00 0.00 1.11 0.00 0.00 32.58 31.19 3ngb s HIS 216 CO -0.00 0.45 -0.12 0.71 -0.85 0.00 0.00 174.74 174.92 3ngb s TYR 217 N -1.44 2.85 0.33 1.40 2.02 -1.26 -0.52 117.35 120.73 3ngb s TYR 217 Ca 0.37 -1.13 0.09 0.00 -0.37 0.00 0.00 57.07 56.03 3ngb s TYR 217 Cb -0.15 -1.98 -0.06 0.00 -0.40 0.00 0.00 41.96 39.37 3ngb s TYR 217 CO 0.19 -0.57 -0.09 0.00 -1.57 0.00 0.00 175.55 173.51 3ngb s THR 219 N -2.71 4.59 0.00 0.00 -4.23 -1.09 -1.70 115.64 110.51 3ngb s THR 219 Ca 0.32 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 3ngb s THR 219 Cb 0.03 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.73 3ngb s THR 219 CO 0.15 0.27 0.00 -2.65 -0.54 0.00 0.00 174.62 171.86 3ngb n PRO 220 N 0.95 0.30 -3.08 3.99 -0.02 -1.26 -4.92 135.00 130.96 3ngb n PRO 220 Ca -0.12 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.97 3ngb n PRO 220 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.95 3ngb n PRO 220 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ngb s ALA 221 N -2.64 3.45 0.00 3.55 0.00 -1.26 -3.71 121.76 121.14 3ngb s ALA 221 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.91 3ngb s ALA 221 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.15 3ngb s ALA 221 CO 0.00 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.85 3ngb n GLY 222 N 3.41 0.98 3.30 0.00 0.00 -1.26 -5.09 105.19 106.53 3ngb n GLY 222 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 3ngb n GLY 222 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ngb s TYR 223 N -2.00 1.61 -0.08 1.61 2.02 -1.24 -1.91 117.35 117.35 3ngb s TYR 223 Ca 0.00 -1.51 -0.30 0.00 -0.37 0.00 0.00 57.07 54.89 3ngb s TYR 223 Cb 0.00 -0.76 0.12 0.00 -0.40 0.00 0.00 41.96 40.92 3ngb s TYR 223 CO 0.00 -0.70 0.98 0.54 -1.57 0.00 0.00 175.55 174.81 3ngb s VAL 224 N -3.60 0.00 -0.27 0.71 0.11 -0.68 -4.84 120.40 111.82 3ngb s VAL 224 Ca 0.38 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.34 3ngb s VAL 224 Cb 0.04 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 3ngb s VAL 224 CO 0.21 0.00 0.13 -0.63 -3.33 0.00 0.00 175.10 171.48 3ngb s ILE 225 N -2.44 4.72 0.13 7.04 1.01 -0.96 -1.43 121.20 129.26 3ngb s ILE 225 Ca 0.04 -0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 3ngb s ILE 225 Cb -0.01 -3.25 -0.06 0.00 0.01 0.00 0.00 42.46 39.14 3ngb s ILE 225 CO -0.05 0.27 0.92 -0.76 0.00 0.00 0.00 174.94 175.31 3ngb s LEU 226 N 1.67 4.52 -0.20 2.97 1.43 0.37 -2.01 118.68 127.43 3ngb s LEU 226 Ca 0.06 1.76 0.02 0.00 -1.03 0.00 0.00 54.13 54.94 3ngb s LEU 226 Cb -0.16 -3.52 0.03 0.00 0.03 0.00 0.00 46.19 42.57 3ngb s LEU 226 CO 0.07 0.00 -0.16 -0.75 0.23 0.00 0.00 176.35 175.74 3ngb s LYS 227 N -0.28 2.64 0.01 1.70 2.20 -1.21 -2.33 119.74 122.46 3ngb s LYS 227 Ca 0.44 -0.97 -0.30 0.00 -0.36 0.00 0.00 55.97 54.78 3ngb s LYS 227 Cb -0.23 -2.62 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 3ngb s LYS 227 CO 0.29 -0.34 1.11 0.00 -0.36 0.00 0.00 175.35 176.05 3ngb n ASN 229 N 4.22 2.47 -4.63 0.00 3.02 0.08 -4.92 115.26 115.50 3ngb n ASN 229 Ca 0.08 -1.72 -0.42 0.00 -0.03 0.00 0.00 54.58 52.49 3ngb n ASN 229 Cb 0.48 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 3ngb n ASN 229 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3ngb s ASP 230 N -1.07 6.04 0.62 6.41 1.01 -1.26 -4.83 116.67 123.59 3ngb s ASP 230 Ca 0.20 2.30 0.36 0.00 0.71 0.00 0.00 52.55 56.12 3ngb s ASP 230 Cb 0.12 -2.52 2.08 0.00 1.01 0.00 0.00 42.92 43.61 3ngb s ASP 230 CO 0.17 -1.44 2.30 0.11 0.21 0.00 0.00 175.17 176.53 3ngb h LYS 231 N 12.43 0.00 -1.11 8.23 1.79 -1.98 -2.76 116.57 133.17 3ngb h LYS 231 Ca -0.45 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.48 3ngb h LYS 231 Cb 1.23 0.00 -0.42 0.00 -1.58 0.00 0.00 32.23 31.46 3ngb h LYS 231 CO 0.95 0.00 -0.83 0.09 -1.08 0.00 0.00 179.45 178.59 3ngb n ASN 232 N -3.51 4.34 -4.72 0.86 3.02 -1.26 -3.88 115.26 110.10 3ngb n ASN 232 Ca -0.03 -3.54 -0.40 0.00 -0.03 0.00 0.00 54.58 50.58 3ngb n ASN 232 Cb 0.08 -0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 38.79 3ngb n ASN 232 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3ngb s PHE 233 N -3.55 3.59 -1.05 3.10 5.36 -1.04 -4.96 117.98 119.43 3ngb s PHE 233 Ca 0.46 1.32 0.12 0.00 -0.96 0.00 0.00 56.93 57.87 3ngb s PHE 233 Cb 0.40 -2.85 0.53 0.00 -0.34 0.00 0.00 43.02 40.77 3ngb s PHE 233 CO -0.07 0.08 1.38 0.27 -1.46 0.00 0.00 175.22 175.42 3ngb n ASN 234 N 3.75 3.75 0.00 6.13 0.23 -1.26 -4.90 115.26 122.96 3ngb n ASN 234 Ca -0.00 -2.41 0.00 0.00 -0.53 0.00 0.00 54.58 51.64 3ngb n ASN 234 Cb 0.51 -0.52 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 3ngb n ASN 234 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ngb n GLY 235 N 0.77 3.24 3.17 4.83 0.00 -1.26 -4.52 105.19 111.43 3ngb n GLY 235 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 3ngb n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ngb s THR 236 N -2.02 1.25 0.00 2.61 -4.23 -1.26 -1.15 115.64 110.84 3ngb s THR 236 Ca 0.00 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 3ngb s THR 236 Cb 0.00 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.73 3ngb s THR 236 CO 0.00 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 3ngb n GLY 237 N 1.93 0.51 3.74 3.99 0.00 -0.94 -4.93 105.19 109.49 3ngb n GLY 237 Ca -0.18 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.38 3ngb n GLY 237 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ngb s PRO 238 N -1.01 2.01 -0.21 1.61 0.02 -1.26 -1.77 135.00 134.39 3ngb s PRO 238 Ca 0.00 1.34 -0.03 0.00 0.02 0.00 0.00 61.00 62.32 3ngb s PRO 238 Cb 0.00 -1.86 0.07 0.00 0.02 0.00 0.00 34.50 32.73 3ngb s PRO 238 CO 0.00 -1.85 0.07 0.00 -0.33 0.00 0.00 177.00 174.89 3ngb n LYS 240 N 5.12 0.28 -3.95 0.00 5.02 -1.26 -3.53 118.16 119.83 3ngb n LYS 240 Ca -0.07 0.09 -0.31 0.00 -2.02 0.00 0.00 58.31 56.00 3ngb n LYS 240 Cb 0.47 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.82 3ngb n LYS 240 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3ngb s ASN 241 N -2.61 4.48 0.06 4.39 3.84 -1.26 -4.78 114.94 119.07 3ngb s ASN 241 Ca 0.19 -1.87 0.08 0.00 0.21 0.00 0.00 52.86 51.48 3ngb s ASN 241 Cb 0.14 -1.41 -0.03 0.00 -0.55 0.00 0.00 41.25 39.41 3ngb s ASN 241 CO 0.33 -0.35 -0.23 -0.69 -2.79 0.00 0.00 177.10 173.36 3ngb s VAL 242 N 1.13 1.87 0.00 -5.21 1.01 -1.26 -0.74 120.40 117.19 3ngb s VAL 242 Ca 0.07 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.68 3ngb s VAL 242 Cb -0.19 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.56 3ngb s VAL 242 CO -0.11 0.19 0.00 -1.54 0.00 0.00 0.00 175.10 173.64 3ngb n SER 243 N 1.59 1.34 -3.43 3.32 3.41 -0.60 -2.26 113.62 116.99 3ngb n SER 243 Ca -0.18 -0.34 -0.16 0.00 -0.26 0.00 0.00 58.87 57.93 3ngb n SER 243 Cb 0.53 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.37 3ngb n SER 243 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3ngb s SER 244 N 0.33 1.35 0.29 4.04 0.15 0.57 -3.31 113.70 117.11 3ngb s SER 244 Ca 0.00 -0.40 0.10 0.00 0.70 0.00 0.00 55.95 56.35 3ngb s SER 244 Cb 0.00 0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 64.81 3ngb s SER 244 CO 0.00 -0.35 -0.03 0.68 1.20 0.00 0.00 173.24 174.74 3ngb s VAL 245 N 2.37 3.09 -0.12 4.45 -7.23 -0.85 -0.61 120.40 121.50 3ngb s VAL 245 Ca 0.09 -2.01 0.20 0.00 -1.81 0.00 0.00 61.98 58.45 3ngb s VAL 245 Cb -0.15 -2.74 -0.24 0.00 0.56 0.00 0.00 36.38 33.81 3ngb s VAL 245 CO -0.22 -0.34 0.48 1.67 -0.31 0.00 0.00 175.10 176.38 3ngb n GLN 246 N -0.87 0.66 -4.05 4.82 -0.06 -1.25 -2.27 117.38 114.35 3ngb n GLN 246 Ca -0.06 -0.02 -0.08 0.00 -2.00 0.00 0.00 57.00 54.84 3ngb n GLN 246 Cb 0.60 -1.61 -0.10 0.00 -4.06 0.00 0.00 30.24 25.06 3ngb n GLN 246 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3ngb n THR 248 N 0.78 0.00 -2.08 0.00 -2.24 -0.77 -4.94 114.28 105.03 3ngb n THR 248 Ca -0.18 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.30 3ngb n THR 248 Cb 0.58 -1.67 0.04 0.00 -2.10 0.00 0.00 70.33 67.19 3ngb n THR 248 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ngb n HIS 249 N -2.63 -3.44 -2.24 4.78 1.44 -1.26 -4.63 115.22 107.24 3ngb n HIS 249 Ca 0.04 -0.51 -0.38 0.00 -2.01 0.00 0.00 57.72 54.87 3ngb n HIS 249 Cb 0.15 -0.25 -0.03 0.00 0.12 0.00 0.00 29.99 29.97 3ngb n HIS 249 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3ngb s GLY 250 N -3.41 0.49 -0.26 -1.39 0.00 -1.26 -4.26 107.32 97.23 3ngb s GLY 250 Ca 0.22 -1.13 -0.10 0.00 0.00 0.00 0.00 44.72 43.70 3ngb s GLY 250 CO 0.15 3.13 0.16 -0.42 0.00 0.00 0.00 173.10 176.12 3ngb s ILE 251 N 7.86 5.23 -0.22 0.90 1.01 -1.16 -4.76 121.20 130.06 3ngb s ILE 251 Ca 0.56 0.14 -0.18 0.00 0.00 0.00 0.00 60.65 61.17 3ngb s ILE 251 Cb -0.09 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 3ngb s ILE 251 CO 0.13 0.30 0.50 -0.54 0.00 0.00 0.00 174.94 175.33 3ngb s LYS 252 N 1.44 4.15 -0.74 2.79 1.02 -1.26 -0.39 119.74 126.75 3ngb s LYS 252 Ca 0.07 0.36 -0.05 0.00 0.02 0.00 0.00 55.97 56.37 3ngb s LYS 252 Cb -0.15 -3.59 -0.05 0.00 -0.52 0.00 0.00 37.83 33.53 3ngb s LYS 252 CO 0.08 -0.20 1.93 -2.30 -0.92 0.00 0.00 175.35 173.93 3ngb n PRO 253 N 4.98 1.71 -2.97 -1.68 -0.02 -1.26 -4.86 135.00 130.90 3ngb n PRO 253 Ca -0.05 -1.27 -0.43 0.00 -2.02 0.00 0.00 63.50 59.73 3ngb n PRO 253 Cb 0.50 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.58 3ngb n PRO 253 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ngb s VAL 254 N 3.61 4.62 -0.09 -1.45 1.01 -1.26 -4.99 120.40 121.85 3ngb s VAL 254 Ca 0.33 0.17 -0.26 0.00 0.00 0.00 0.00 61.98 62.22 3ngb s VAL 254 Cb 0.09 -4.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 3ngb s VAL 254 CO -0.03 -0.86 0.84 0.68 0.00 0.00 0.00 175.10 175.72 3ngb s VAL 255 N 3.35 4.93 0.12 2.92 -7.23 -1.26 -4.85 120.40 118.39 3ngb s VAL 255 Ca 0.27 1.70 -0.24 0.00 -1.81 0.00 0.00 61.98 61.89 3ngb s VAL 255 Cb -0.14 -4.16 0.07 0.00 0.56 0.00 0.00 36.38 32.72 3ngb s VAL 255 CO 0.19 0.13 0.64 -0.94 -0.31 0.00 0.00 175.10 174.82 3ngb s SER 256 N 0.99 -0.55 0.14 4.85 1.04 -1.26 -4.33 113.70 114.58 3ngb s SER 256 Ca 0.42 0.06 0.11 0.00 0.48 0.00 0.00 55.95 57.02 3ngb s SER 256 Cb -0.18 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 3ngb s SER 256 CO 0.19 -0.90 -0.26 0.42 0.98 0.00 0.00 173.24 173.66 3ngb s THR 257 N -3.47 2.25 0.00 2.02 -4.23 -0.95 -4.83 115.64 106.43 3ngb s THR 257 Ca 0.01 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 3ngb s THR 257 Cb -0.01 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.83 3ngb s THR 257 CO -0.11 0.05 0.00 0.00 -0.54 0.00 0.00 174.62 174.03 3ngb n GLN 258 N 0.83 0.00 -4.05 3.99 6.02 -1.06 -4.12 117.38 118.99 3ngb n GLN 258 Ca -0.17 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.47 3ngb n GLN 258 Cb 0.53 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.70 3ngb n GLN 258 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ngb s LEU 259 N 0.00 3.86 -0.22 1.08 1.02 -1.26 0.72 118.68 123.88 3ngb s LEU 259 Ca 0.00 0.15 -0.19 0.00 0.02 0.00 0.00 54.13 54.12 3ngb s LEU 259 Cb 0.00 -1.95 -0.03 0.00 0.02 0.00 0.00 46.19 44.23 3ngb s LEU 259 CO 0.00 0.25 0.54 -0.76 0.02 0.00 0.00 176.35 176.40 3ngb s LEU 260 N -0.07 4.12 0.22 1.79 1.43 -0.05 -4.76 118.68 121.35 3ngb s LEU 260 Ca 0.07 0.66 0.07 0.00 -1.03 0.00 0.00 54.13 53.89 3ngb s LEU 260 Cb -0.12 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 3ngb s LEU 260 CO 0.01 -0.23 0.13 -0.76 0.23 0.00 0.00 176.35 175.73 3ngb s LEU 261 N 1.90 3.67 -0.71 1.79 1.02 -1.26 -1.44 118.68 123.65 3ngb s LEU 261 Ca 0.24 -0.29 -0.01 0.00 0.02 0.00 0.00 54.13 54.10 3ngb s LEU 261 Cb -0.15 -2.24 0.01 0.00 0.02 0.00 0.00 46.19 43.83 3ngb s LEU 261 CO 0.09 0.01 0.03 0.59 0.02 0.00 0.00 176.35 177.10 3ngb n ASN 262 N -0.77 -2.86 -2.56 2.29 4.13 0.15 -4.90 115.26 110.74 3ngb n ASN 262 Ca -0.08 0.26 -0.05 0.00 1.68 0.00 0.00 54.58 56.38 3ngb n ASN 262 Cb 0.57 -2.48 0.03 0.00 -1.54 0.00 0.00 39.78 36.35 3ngb n ASN 262 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ngb n GLY 263 N -0.72 0.74 3.69 7.41 0.00 -1.26 -4.76 105.19 110.30 3ngb n GLY 263 Ca -0.09 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 3ngb n GLY 263 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ngb s SER 264 N -1.90 6.32 1.05 1.61 1.04 -1.26 -4.92 113.70 115.64 3ngb s SER 264 Ca 0.15 0.37 -0.13 0.00 0.48 0.00 0.00 55.95 56.82 3ngb s SER 264 Cb -0.01 -2.16 0.22 0.00 0.10 0.00 0.00 66.02 64.17 3ngb s SER 264 CO 0.10 0.05 1.08 -0.76 0.98 0.00 0.00 173.24 174.68 3ngb s LEU 265 N 0.85 1.36 0.27 2.42 1.43 -1.26 -4.96 118.68 118.78 3ngb s LEU 265 Ca 0.14 1.25 -0.29 0.00 -1.03 0.00 0.00 54.13 54.20 3ngb s LEU 265 Cb -0.13 -3.35 -0.09 0.00 0.03 0.00 0.00 46.19 42.64 3ngb s LEU 265 CO 0.04 -3.44 0.98 0.00 0.23 0.00 0.00 176.35 174.16 3ngb s ALA 266 N -2.84 3.33 0.04 4.21 0.00 -0.19 -4.98 121.76 121.33 3ngb s ALA 266 Ca 0.66 0.67 -0.33 0.00 0.00 0.00 0.00 51.96 52.97 3ngb s ALA 266 Cb -0.20 -3.24 -0.18 0.00 0.00 0.00 0.00 23.12 19.50 3ngb s ALA 266 CO 0.59 0.11 1.40 0.93 0.00 0.00 0.00 175.76 178.79 3ngb h GLU 267 N 3.89 -1.14 0.00 0.00 4.39 -1.91 -3.43 114.58 116.38 3ngb h GLU 267 Ca -0.46 0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.32 3ngb h GLU 267 Cb 1.20 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 30.11 3ngb h GLU 267 CO 0.67 -0.76 -0.67 -1.91 -1.16 0.00 0.00 179.01 175.18 3ngb n GLU 268 N -5.42 0.36 -4.29 2.33 2.13 -1.25 -5.10 120.64 109.40 3ngb n GLU 268 Ca -0.15 0.14 -0.19 0.00 0.66 0.00 0.00 57.16 57.62 3ngb n GLU 268 Cb 0.47 -1.12 -0.08 0.00 0.27 0.00 0.00 31.44 30.97 3ngb n GLU 268 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 3ngb s GLU 269 N -2.58 1.73 0.36 5.31 -1.05 -1.26 -5.00 118.70 116.21 3ngb s GLU 269 Ca -0.19 -2.00 -0.28 0.00 -0.15 0.00 0.00 54.97 52.34 3ngb s GLU 269 Cb 0.03 0.28 -0.10 0.00 -0.44 0.00 0.00 34.13 33.89 3ngb s GLU 269 CO 0.29 -0.63 1.37 0.42 0.95 0.00 0.00 175.26 177.66 3ngb s ILE 270 N -3.48 2.45 -0.07 1.83 1.01 -1.26 -4.69 121.20 116.98 3ngb s ILE 270 Ca 0.40 0.45 0.03 0.00 0.00 0.00 0.00 60.65 61.53 3ngb s ILE 270 Cb 0.03 -3.28 0.01 0.00 0.01 0.00 0.00 42.46 39.22 3ngb s ILE 270 CO 0.26 0.10 -0.17 -0.63 0.00 0.00 0.00 174.94 174.50 3ngb s ILE 271 N -1.15 1.49 -0.35 2.92 1.01 -1.10 -5.00 121.20 119.02 3ngb s ILE 271 Ca 0.52 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 60.33 3ngb s ILE 271 Cb -0.42 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 3ngb s ILE 271 CO 0.56 0.43 0.30 -0.63 0.00 0.00 0.00 174.94 175.60 3ngb s ILE 272 N 0.42 5.23 -0.18 2.92 -1.09 -1.26 -1.36 121.20 125.88 3ngb s ILE 272 Ca -0.13 -0.16 -0.05 0.00 -2.23 0.00 0.00 60.65 58.08 3ngb s ILE 272 Cb -0.16 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 36.91 3ngb s ILE 272 CO 0.05 -0.09 -0.01 -0.13 -1.23 0.00 0.00 174.94 173.53 3ngb s ARG 273 N 1.85 3.66 -0.23 2.79 0.52 -0.80 -4.92 118.95 121.82 3ngb s ARG 273 Ca 0.08 -0.51 -0.26 0.00 -0.52 0.00 0.00 55.73 54.52 3ngb s ARG 273 Cb -0.17 -3.02 0.08 0.00 0.52 0.00 0.00 34.95 32.36 3ngb s ARG 273 CO 0.11 0.13 0.78 0.45 0.02 0.00 0.00 175.30 176.79 3ngb s SER 274 N 0.69 -0.67 0.56 0.23 0.15 -1.26 -0.70 113.70 112.69 3ngb s SER 274 Ca -0.01 1.20 0.33 0.00 0.70 0.00 0.00 55.95 58.17 3ngb s SER 274 Cb -0.14 1.18 1.61 0.00 -1.71 0.00 0.00 66.02 66.96 3ngb s SER 274 CO 0.02 -0.29 2.10 -0.08 1.20 0.00 0.00 173.24 176.19 3ngb h GLU 275 N 4.46 0.00 -0.30 5.44 4.81 -1.92 -3.40 114.58 123.67 3ngb h GLU 275 Ca -0.28 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.14 3ngb h GLU 275 Cb 1.16 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.35 3ngb h GLU 275 CO 0.12 0.07 -0.06 1.21 -0.73 0.00 0.00 179.01 179.63 3ngb s ASN 276 N -5.82 -0.48 0.45 1.04 3.84 -1.26 -5.04 114.94 107.66 3ngb s ASN 276 Ca -0.02 0.01 0.17 0.00 0.21 0.00 0.00 52.86 53.23 3ngb s ASN 276 Cb 0.12 1.18 1.11 0.00 -0.55 0.00 0.00 41.25 43.11 3ngb s ASN 276 CO 0.54 -0.08 1.94 -0.07 -2.79 0.00 0.00 177.10 176.64 3ngb h LEU 277 N 7.00 0.32 -1.32 3.21 3.38 -1.95 0.57 115.31 126.52 3ngb h LEU 277 Ca -0.08 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3ngb h LEU 277 Cb 1.19 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3ngb h LEU 277 CO -0.08 0.17 -0.10 0.71 0.09 0.00 0.00 178.44 179.23 3ngb h THR 278 N 0.34 1.19 -3.49 0.22 1.35 -1.98 -3.40 112.91 107.13 3ngb h THR 278 Ca 0.34 -0.82 -0.60 0.00 -0.55 0.00 0.00 66.41 64.78 3ngb h THR 278 Cb 0.84 1.15 -0.10 0.00 -1.73 0.00 0.00 68.15 68.31 3ngb h THR 278 CO -0.09 0.26 0.56 0.21 -0.25 0.00 0.00 175.52 176.21 3ngb s ASN 279 N -6.83 6.66 0.00 5.36 3.84 0.19 -4.92 114.94 119.23 3ngb s ASN 279 Ca -0.06 0.55 0.20 0.00 0.21 0.00 0.00 52.86 53.76 3ngb s ASN 279 Cb 0.15 -2.45 0.96 0.00 -0.55 0.00 0.00 41.25 39.36 3ngb s ASN 279 CO 0.75 -0.83 1.64 -0.46 -2.79 0.00 0.00 177.10 175.41 3ngb n ASN 280 N 6.69 0.00 -0.17 -4.21 0.23 -1.26 -2.34 115.26 114.20 3ngb n ASN 280 Ca 0.06 0.18 0.13 0.00 -0.53 0.00 0.00 54.58 54.43 3ngb n ASN 280 Cb 0.48 -0.36 0.46 0.00 -2.08 0.00 0.00 39.78 38.27 3ngb n ASN 280 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ngb n ALA 281 N -1.36 2.98 -2.72 -2.53 0.00 -1.26 -4.61 120.51 111.02 3ngb n ALA 281 Ca 0.08 -0.34 -0.37 0.00 0.00 0.00 0.00 53.44 52.81 3ngb n ALA 281 Cb 0.19 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 18.36 3ngb n ALA 281 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3ngb s LYS 282 N -2.56 4.21 0.54 0.00 -0.14 -0.99 -5.07 119.74 115.73 3ngb s LYS 282 Ca 0.24 0.14 -0.19 0.00 -1.36 0.00 0.00 55.97 54.80 3ngb s LYS 282 Cb 0.19 -3.40 -0.06 0.00 -1.68 0.00 0.00 37.83 32.88 3ngb s LYS 282 CO 0.52 0.29 1.10 0.95 -0.76 0.00 0.00 175.35 177.45 3ngb s THR 283 N 0.31 3.38 -0.22 2.17 -4.23 -1.26 -4.82 115.64 110.97 3ngb s THR 283 Ca 0.18 0.82 -0.04 0.00 -1.18 0.00 0.00 61.69 61.48 3ngb s THR 283 Cb -0.13 -3.32 -0.01 0.00 1.34 0.00 0.00 72.50 70.38 3ngb s THR 283 CO 0.05 -0.22 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.24 3ngb s ILE 284 N -1.92 3.37 -0.47 2.99 1.01 -0.49 -4.47 121.20 121.22 3ngb s ILE 284 Ca 0.70 -0.50 -0.13 0.00 0.00 0.00 0.00 60.65 60.73 3ngb s ILE 284 Cb -0.21 -2.53 0.09 0.00 0.01 0.00 0.00 42.46 39.83 3ngb s ILE 284 CO 0.27 0.43 0.38 -0.63 0.00 0.00 0.00 174.94 175.38 3ngb s ILE 285 N 1.41 4.81 0.05 2.92 1.01 0.12 -0.89 121.20 130.62 3ngb s ILE 285 Ca 0.05 -1.36 -0.30 0.00 0.00 0.00 0.00 60.65 59.04 3ngb s ILE 285 Cb -0.14 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 3ngb s ILE 285 CO -0.03 -0.66 1.09 -0.69 0.00 0.00 0.00 174.94 174.65 3ngb s VAL 286 N 1.53 4.39 -0.44 2.92 1.01 0.63 -1.90 120.40 128.55 3ngb s VAL 286 Ca 0.04 1.76 -0.01 0.00 0.00 0.00 0.00 61.98 63.76 3ngb s VAL 286 Cb -0.26 -4.13 0.12 0.00 0.00 0.00 0.00 36.38 32.12 3ngb s VAL 286 CO 0.03 0.16 0.22 -2.28 0.00 0.00 0.00 175.10 173.24 3ngb s HIS 287 N 0.86 3.56 0.36 5.22 2.46 -0.47 -1.59 115.29 125.70 3ngb s HIS 287 Ca 0.54 -2.64 -0.27 0.00 0.47 0.00 0.00 55.06 53.17 3ngb s HIS 287 Cb -0.26 -3.14 -0.09 0.00 -0.13 0.00 0.00 32.58 28.96 3ngb s HIS 287 CO 0.29 -0.93 1.26 -0.51 -2.47 0.00 0.00 174.74 172.39 3ngb s LEU 288 N 0.77 4.32 0.00 8.88 1.43 -0.07 -2.70 118.68 131.31 3ngb s LEU 288 Ca 0.11 2.58 0.26 0.00 -1.03 0.00 0.00 54.13 56.05 3ngb s LEU 288 Cb -0.22 -3.80 0.64 0.00 0.03 0.00 0.00 46.19 42.84 3ngb s LEU 288 CO -0.04 -0.63 1.50 -0.46 0.23 0.00 0.00 176.35 176.94 3ngb n ASN 289 N 0.47 1.56 -3.59 2.29 6.94 -1.26 -1.02 115.26 120.65 3ngb n ASN 289 Ca 0.02 -1.29 -0.16 0.00 -0.02 0.00 0.00 54.58 53.12 3ngb n ASN 289 Cb 0.43 0.14 -0.14 0.00 -2.36 0.00 0.00 39.78 37.86 3ngb n ASN 289 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3ngb s LYS 290 N -2.30 0.14 0.20 -3.83 2.20 -1.26 -4.59 119.74 110.29 3ngb s LYS 290 Ca 0.27 0.47 -0.30 0.00 -0.36 0.00 0.00 55.97 56.06 3ngb s LYS 290 Cb 0.20 -0.59 -0.08 0.00 -1.51 0.00 0.00 37.83 35.84 3ngb s LYS 290 CO 0.45 -0.45 1.18 -1.54 -0.36 0.00 0.00 175.35 174.63 3ngb s SER 291 N 2.35 7.12 -0.13 1.43 1.04 -1.26 -4.95 113.70 119.30 3ngb s SER 291 Ca 0.04 2.23 -0.07 0.00 0.48 0.00 0.00 55.95 58.63 3ngb s SER 291 Cb -0.14 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.33 3ngb s SER 291 CO -0.09 -0.34 0.14 -0.69 0.98 0.00 0.00 173.24 173.24 3ngb s VAL 292 N -0.20 5.48 -0.34 5.02 1.01 -1.04 -4.88 120.40 125.45 3ngb s VAL 292 Ca 0.51 0.20 -0.23 0.00 0.00 0.00 0.00 61.98 62.47 3ngb s VAL 292 Cb -0.32 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.66 3ngb s VAL 292 CO 0.37 0.59 0.77 -0.70 0.00 0.00 0.00 175.10 176.14 3ngb s GLU 293 N -0.83 3.82 -0.21 2.72 2.12 -1.26 -1.17 118.70 123.88 3ngb s GLU 293 Ca 0.14 0.39 -0.09 0.00 0.36 0.00 0.00 54.97 55.77 3ngb s GLU 293 Cb -0.12 -3.78 -0.05 0.00 0.26 0.00 0.00 34.13 30.45 3ngb s GLU 293 CO 0.03 -0.78 0.12 -1.50 -0.54 0.00 0.00 175.26 172.59 3ngb s ILE 294 N 3.02 5.15 -0.75 -3.70 2.07 -0.79 -4.14 121.20 122.06 3ngb s ILE 294 Ca 0.31 0.10 0.03 0.00 -1.41 0.00 0.00 60.65 59.69 3ngb s ILE 294 Cb -0.14 -3.37 0.23 0.00 0.13 0.00 0.00 42.46 39.32 3ngb s ILE 294 CO 0.15 0.40 0.79 -3.20 -1.91 0.00 0.00 174.94 171.17 3ngb n ASN 295 N 3.90 4.00 -4.78 4.50 5.15 -0.16 -1.70 115.26 126.17 3ngb n ASN 295 Ca -0.16 -3.34 -0.36 0.00 -0.60 0.00 0.00 54.58 50.13 3ngb n ASN 295 Cb 0.52 -0.83 -0.02 0.00 -0.53 0.00 0.00 39.78 38.92 3ngb n ASN 295 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ngb s THR 297 N -1.74 0.00 -0.28 0.00 -1.32 -0.81 -2.12 115.64 109.36 3ngb s THR 297 Ca 0.65 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 61.16 3ngb s THR 297 Cb -0.22 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.84 3ngb s THR 297 CO 0.27 0.00 -0.05 -0.60 -2.21 0.00 0.00 174.62 172.03 3ngb s ARG 298 N -0.64 1.90 1.05 7.08 3.52 0.63 -2.37 118.95 130.13 3ngb s ARG 298 Ca 0.01 -1.43 -0.15 0.00 -0.13 0.00 0.00 55.73 54.03 3ngb s ARG 298 Cb -0.02 -2.90 0.11 0.00 -1.56 0.00 0.00 34.95 30.57 3ngb s ARG 298 CO -0.03 -0.69 0.36 -2.30 -0.81 0.00 0.00 175.30 171.83 3ngb n PRO 299 N 4.43 -1.18 -3.36 5.12 -0.02 -1.26 -1.27 135.00 137.46 3ngb n PRO 299 Ca -0.09 -0.31 -0.46 0.00 -2.02 0.00 0.00 63.50 60.63 3ngb n PRO 299 Cb 0.42 -1.87 -0.04 0.00 -0.02 0.00 0.00 33.50 32.00 3ngb n PRO 299 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ngb s SER 300 N -2.03 6.37 -0.51 2.55 1.04 -1.26 -4.62 113.70 115.23 3ngb s SER 300 Ca 0.59 -2.27 -0.28 0.00 0.48 0.00 0.00 55.95 54.46 3ngb s SER 300 Cb -0.18 -2.18 0.01 0.00 0.10 0.00 0.00 66.02 63.78 3ngb s SER 300 CO 0.66 -0.69 1.38 0.20 0.98 0.00 0.00 173.24 175.77 3ngb s ASN 301 N 2.71 6.25 -0.36 7.02 0.01 -1.26 -4.93 114.94 124.38 3ngb s ASN 301 Ca 0.11 0.45 0.14 0.00 -0.71 0.00 0.00 52.86 52.85 3ngb s ASN 301 Cb -0.20 -2.54 0.41 0.00 0.41 0.00 0.00 41.25 39.33 3ngb s ASN 301 CO -0.03 -1.58 1.03 0.61 -1.51 0.00 0.00 177.10 175.62 3ngb n GLY 302 N 5.16 1.74 2.78 0.66 0.00 -1.26 -4.99 105.19 109.29 3ngb n GLY 302 Ca 0.13 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.93 3ngb n GLY 302 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ngb s GLY 323 N -2.40 0.65 0.54 -0.02 0.00 -1.26 -5.27 107.32 99.56 3ngb s GLY 323 Ca 0.28 -0.47 0.06 0.00 0.00 0.00 0.00 44.72 44.59 3ngb s GLY 323 CO -0.02 1.21 0.44 -0.32 0.00 0.00 0.00 173.10 174.41 3ngb s GLY 324 N 1.87 2.31 0.29 0.20 0.00 -1.26 -5.11 107.32 105.62 3ngb s GLY 324 Ca 0.02 -1.36 -0.25 0.00 0.00 0.00 0.00 44.72 43.12 3ngb s GLY 324 CO -0.07 -1.91 0.90 -0.35 0.00 0.00 0.00 173.10 171.67 3ngb s ASP 325 N -4.31 7.33 0.00 1.64 2.15 -1.26 -4.96 116.67 117.26 3ngb s ASP 325 Ca 0.37 1.77 0.19 0.00 0.43 0.00 0.00 52.55 55.31 3ngb s ASP 325 Cb -0.02 -2.55 0.74 0.00 -0.30 0.00 0.00 42.92 40.79 3ngb s ASP 325 CO 0.23 -0.01 1.53 2.30 -0.17 0.00 0.00 175.17 179.04 3ngb n ILE 326 N 0.73 0.19 -0.02 4.11 -5.35 -1.26 -3.75 119.36 114.02 3ngb n ILE 326 Ca 0.00 -0.28 0.01 0.00 -0.27 0.00 0.00 62.75 62.21 3ngb n ILE 326 Cb 0.50 0.22 -0.07 0.00 -1.74 0.00 0.00 39.64 38.55 3ngb n ILE 326 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3ngb n ARG 327 N 0.11 1.15 -2.01 6.28 1.74 -1.26 -4.72 116.66 117.94 3ngb n ARG 327 Ca 0.15 -0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.77 3ngb n ARG 327 Cb 0.27 -1.21 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 3ngb n ARG 327 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3ngb s LYS 328 N -2.47 4.28 0.30 5.56 0.00 -1.25 -0.15 119.74 126.01 3ngb s LYS 328 Ca -0.04 2.33 -0.01 0.00 0.00 0.00 0.00 55.97 58.25 3ngb s LYS 328 Cb 0.05 -3.04 0.01 0.00 0.00 0.00 0.00 37.83 34.84 3ngb s LYS 328 CO 0.36 -0.31 0.41 0.00 0.00 0.00 0.00 175.35 175.81 3ngb n ALA 329 N 0.82 -0.27 -3.59 0.59 0.00 -0.24 -4.74 120.51 113.09 3ngb n ALA 329 Ca 0.01 -1.39 -0.14 0.00 0.00 0.00 0.00 53.44 51.92 3ngb n ALA 329 Cb 0.41 1.12 -0.06 0.00 0.00 0.00 0.00 19.45 20.92 3ngb n ALA 329 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3ngb s TYR 330 N -3.22 -0.62 -0.09 0.00 1.13 -1.00 -1.27 117.35 112.28 3ngb s TYR 330 Ca 0.25 1.36 -0.00 0.00 -1.41 0.00 0.00 57.07 57.27 3ngb s TYR 330 Cb -0.01 0.35 -0.03 0.00 -1.10 0.00 0.00 41.96 41.18 3ngb s TYR 330 CO 0.18 -0.40 -0.07 0.00 -2.51 0.00 0.00 175.55 172.75 3ngb s GLU 332 N -0.48 3.40 -0.05 0.00 2.02 -0.94 -0.34 118.70 122.30 3ngb s GLU 332 Ca 0.07 -0.64 0.06 0.00 0.02 0.00 0.00 54.97 54.49 3ngb s GLU 332 Cb -0.12 -2.89 -0.01 0.00 0.10 0.00 0.00 34.13 31.20 3ngb s GLU 332 CO 0.02 -0.05 -0.25 0.42 0.02 0.00 0.00 175.26 175.42 3ngb s ILE 333 N 1.09 1.99 -0.71 -1.63 1.09 -0.54 -0.99 121.20 121.49 3ngb s ILE 333 Ca 0.01 -1.04 -0.26 0.00 -1.10 0.00 0.00 60.65 58.26 3ngb s ILE 333 Cb -0.15 -1.68 -0.08 0.00 -1.06 0.00 0.00 42.46 39.49 3ngb s ILE 333 CO -0.01 0.56 2.23 0.21 -0.10 0.00 0.00 174.94 177.83 3ngb s ASN 334 N -0.26 4.49 0.31 3.58 3.84 -1.26 -2.60 114.94 123.05 3ngb s ASN 334 Ca -0.00 0.19 0.08 0.00 0.21 0.00 0.00 52.86 53.35 3ngb s ASN 334 Cb -0.13 -2.54 0.85 0.00 -0.55 0.00 0.00 41.25 38.89 3ngb s ASN 334 CO 0.02 -3.17 1.73 1.23 -2.79 0.00 0.00 177.10 174.12 3ngb h GLY 335 N 19.93 1.86 0.82 1.21 0.00 -1.84 0.31 103.07 125.36 3ngb h GLY 335 Ca -0.08 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 3ngb h GLY 335 CO 1.12 -0.22 0.02 -0.84 0.00 0.00 0.00 176.54 176.61 3ngb h THR 336 N 0.59 1.24 0.00 4.70 2.02 -1.73 -2.34 112.91 117.39 3ngb h THR 336 Ca 0.63 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 3ngb h THR 336 Cb 1.17 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.98 3ngb h THR 336 CO -0.47 0.24 -0.03 0.50 0.37 0.00 0.00 175.52 176.13 3ngb h LYS 337 N 0.09 0.00 0.00 6.66 3.64 -1.46 -3.26 116.57 122.24 3ngb h LYS 337 Ca 0.05 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3ngb h LYS 337 Cb 0.34 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3ngb h LYS 337 CO 0.01 0.03 -0.22 2.35 -2.27 0.00 0.00 179.45 179.35 3ngb h TRP 338 N 0.00 0.00 -0.64 1.91 2.91 -0.43 -3.30 115.95 116.40 3ngb h TRP 338 Ca -0.00 0.00 0.12 0.00 1.13 0.00 0.00 58.89 60.14 3ngb h TRP 338 Cb 0.95 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.56 3ngb h TRP 338 CO 0.00 0.28 0.43 -0.91 -1.03 0.00 0.00 178.44 177.21 3ngb h ASN 339 N -1.00 0.33 -0.83 2.65 -0.26 -1.56 0.17 115.58 115.08 3ngb h ASN 339 Ca -0.03 0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.69 3ngb h ASN 339 Cb 0.39 -0.06 -0.04 0.00 -1.06 0.00 0.00 38.32 37.55 3ngb h ASN 339 CO -0.02 0.19 0.39 0.11 -1.06 0.00 0.00 177.43 177.04 3ngb h LYS 340 N 0.36 1.20 -0.23 0.81 1.79 -1.72 -0.64 116.57 118.14 3ngb h LYS 340 Ca 0.30 -0.18 -0.18 0.00 -2.18 0.00 0.00 60.65 58.41 3ngb h LYS 340 Cb 0.69 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3ngb h LYS 340 CO -0.08 0.93 -0.57 0.28 -1.08 0.00 0.00 179.45 178.93 3ngb h VAL 341 N 1.19 1.30 0.00 0.50 2.07 -0.84 -2.85 116.25 117.61 3ngb h VAL 341 Ca 0.29 -1.78 -0.06 0.00 0.82 0.00 0.00 66.70 65.96 3ngb h VAL 341 Cb 0.13 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3ngb h VAL 341 CO -0.03 0.57 -0.29 0.25 0.02 0.00 0.00 177.57 178.08 3ngb h LEU 342 N 0.55 0.00 -0.13 2.57 5.85 -0.57 -2.04 115.31 121.54 3ngb h LEU 342 Ca 0.01 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 3ngb h LEU 342 Cb 1.15 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.19 3ngb h LEU 342 CO 0.12 0.29 -0.71 0.50 -0.34 0.00 0.00 178.44 178.30 3ngb h LYS 343 N 0.00 0.71 0.00 1.25 3.64 -1.06 -2.16 116.57 118.96 3ngb h LYS 343 Ca -0.00 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 3ngb h LYS 343 Cb 0.53 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3ngb h LYS 343 CO 0.04 1.20 0.00 1.96 -2.27 0.00 0.00 179.45 180.38 3ngb h GLN 344 N 0.41 0.00 0.00 1.90 4.20 -1.24 -1.84 115.11 118.54 3ngb h GLN 344 Ca -0.05 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3ngb h GLN 344 Cb 1.35 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.12 3ngb h GLN 344 CO 0.15 0.00 -0.04 0.28 -0.67 0.00 0.00 178.83 178.55 3ngb h VAL 345 N 0.00 1.78 -0.25 -0.54 2.07 -1.06 -3.02 116.25 115.23 3ngb h VAL 345 Ca 0.00 -2.35 0.04 0.00 0.82 0.00 0.00 66.70 65.21 3ngb h VAL 345 Cb 0.21 3.38 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 3ngb h VAL 345 CO 0.00 0.61 0.17 0.71 0.02 0.00 0.00 177.57 179.08 3ngb h THR 346 N -0.99 0.96 0.00 2.57 1.35 -1.03 0.87 112.91 116.64 3ngb h THR 346 Ca -0.01 -0.05 -0.11 0.00 -0.55 0.00 0.00 66.41 65.69 3ngb h THR 346 Cb 1.02 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 3ngb h THR 346 CO -0.00 0.03 -0.52 -0.08 -0.25 0.00 0.00 175.52 174.70 3ngb h GLU 347 N 0.16 0.00 0.00 4.72 4.57 -1.43 -2.71 114.58 119.88 3ngb h GLU 347 Ca 0.11 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.12 3ngb h GLU 347 Cb 0.24 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 3ngb h GLU 347 CO -0.02 0.52 -0.94 0.87 -1.18 0.00 0.00 179.01 178.27 3ngb h LYS 348 N 0.00 0.00 -0.52 1.92 1.79 -0.79 -3.26 116.57 115.71 3ngb h LYS 348 Ca -0.01 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.36 3ngb h LYS 348 Cb 1.05 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.68 3ngb h LYS 348 CO 0.07 0.63 -0.08 -0.07 -1.08 0.00 0.00 179.45 178.92 3ngb h LEU 349 N 0.00 0.93 0.00 2.94 -0.00 -0.85 -3.40 115.31 114.93 3ngb h LEU 349 Ca -0.06 -0.28 -0.37 0.00 -0.00 0.00 0.00 57.88 57.16 3ngb h LEU 349 Cb 1.61 -0.25 0.21 0.00 -0.00 0.00 0.00 40.66 42.23 3ngb h LEU 349 CO 0.08 1.03 -0.08 0.29 -0.00 0.00 0.00 178.44 179.77 3ngb n LYS 350 N -4.16 -4.34 0.00 1.13 5.02 -1.04 -2.72 118.16 112.05 3ngb n LYS 350 Ca 0.02 -1.55 0.00 0.00 -2.02 0.00 0.00 58.31 54.76 3ngb n LYS 350 Cb 0.37 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 3ngb n LYS 350 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3ngb n GLU 351 N -5.51 0.00 -0.05 1.97 2.13 -1.12 -4.30 120.64 113.77 3ngb n GLU 351 Ca 0.14 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.85 3ngb n GLU 351 Cb 0.60 -0.44 -0.14 0.00 0.27 0.00 0.00 31.44 31.72 3ngb n GLU 351 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3ngb n HIS 352 N 0.00 0.68 -2.36 4.31 8.25 -1.19 -4.44 115.22 120.47 3ngb n HIS 352 Ca 0.00 0.22 -0.26 0.00 -0.26 0.00 0.00 57.72 57.41 3ngb n HIS 352 Cb 0.00 -1.12 0.01 0.00 1.12 0.00 0.00 29.99 30.00 3ngb n HIS 352 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ngb n PHE 353 N -3.04 3.25 -3.21 4.41 3.72 -1.10 -5.09 117.46 116.39 3ngb n PHE 353 Ca -0.26 -2.89 0.00 0.00 -0.05 0.00 0.00 57.45 54.26 3ngb n PHE 353 Cb 1.08 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 39.46 3ngb n PHE 353 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ngb n ASN 354 N -0.54 -0.97 -1.44 4.37 3.02 -1.26 -2.73 115.26 115.71 3ngb n ASN 354 Ca 0.40 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.93 3ngb n ASN 354 Cb 0.74 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 40.09 3ngb n ASN 354 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ngb n ASN 355 N -3.36 3.57 -4.71 6.41 4.13 -1.26 -2.80 115.26 117.25 3ngb n ASN 355 Ca 0.00 -2.67 -0.34 0.00 1.68 0.00 0.00 54.58 53.25 3ngb n ASN 355 Cb 0.00 -0.64 0.11 0.00 -1.54 0.00 0.00 39.78 37.71 3ngb n ASN 355 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3ngb s LYS 357 N -1.93 1.87 -0.33 3.52 1.02 -1.10 -4.93 119.74 117.85 3ngb s LYS 357 Ca 0.31 1.85 -0.28 0.00 0.02 0.00 0.00 55.97 57.87 3ngb s LYS 357 Cb 0.25 -1.79 0.02 0.00 -0.52 0.00 0.00 37.83 35.78 3ngb s LYS 357 CO 0.08 -2.06 1.05 0.99 -0.92 0.00 0.00 175.35 174.49 3ngb s THR 358 N -1.93 4.52 -0.22 2.17 2.01 -0.16 -4.87 115.64 117.16 3ngb s THR 358 Ca 0.76 1.64 -0.21 0.00 0.31 0.00 0.00 61.69 64.19 3ngb s THR 358 Cb -0.31 -4.40 -0.02 0.00 0.01 0.00 0.00 72.50 67.77 3ngb s THR 358 CO 0.48 -0.50 0.66 -0.63 -0.69 0.00 0.00 174.62 173.94 3ngb s ILE 359 N 3.64 4.98 0.07 1.82 1.09 -1.26 -1.18 121.20 130.35 3ngb s ILE 359 Ca 0.44 1.23 0.02 0.00 -1.10 0.00 0.00 60.65 61.25 3ngb s ILE 359 Cb -0.12 -3.97 -0.03 0.00 -1.06 0.00 0.00 42.46 37.28 3ngb s ILE 359 CO 0.16 0.06 -0.08 0.27 -0.10 0.00 0.00 174.94 175.25 3ngb s ILE 360 N 2.21 0.67 0.09 2.92 -4.36 -1.16 -4.98 121.20 116.59 3ngb s ILE 360 Ca 0.29 -1.40 0.05 0.00 -0.26 0.00 0.00 60.65 59.33 3ngb s ILE 360 Cb -0.16 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.48 3ngb s ILE 360 CO 0.10 -0.53 0.00 -0.36 0.24 0.00 0.00 174.94 174.38 3ngb s PHE 361 N -2.13 2.99 0.03 1.37 0.08 -1.26 -1.75 117.98 117.31 3ngb s PHE 361 Ca -0.01 -0.03 -0.05 0.00 0.12 0.00 0.00 56.93 56.96 3ngb s PHE 361 Cb -0.05 -1.54 -0.01 0.00 -0.57 0.00 0.00 43.02 40.85 3ngb s PHE 361 CO -0.01 0.48 0.08 -0.65 -0.10 0.00 0.00 175.22 175.02 3ngb s GLN 362 N -2.31 0.52 0.75 0.44 -1.52 -0.53 -4.84 119.66 112.16 3ngb s GLN 362 Ca 0.26 -0.68 -0.15 0.00 -1.95 0.00 0.00 55.36 52.84 3ngb s GLN 362 Cb -0.12 0.20 0.05 0.00 -0.22 0.00 0.00 33.01 32.92 3ngb s GLN 362 CO 0.18 -0.12 1.23 -1.25 -0.25 0.00 0.00 175.29 175.08 3ngb s PRO 363 N -2.23 1.99 0.35 2.91 0.04 -1.26 -4.14 135.00 132.67 3ngb s PRO 363 Ca -0.08 1.85 -0.27 0.00 0.04 0.00 0.00 61.00 62.54 3ngb s PRO 363 Cb -0.03 -1.81 -0.12 0.00 0.04 0.00 0.00 34.50 32.58 3ngb s PRO 363 CO -0.03 -1.97 1.11 -2.30 0.04 0.00 0.00 177.00 173.85 3ngb n PRO 364 N -2.79 1.63 0.17 0.56 -0.02 -1.26 -4.90 135.00 128.40 3ngb n PRO 364 Ca 0.14 0.58 0.02 0.00 -2.02 0.00 0.00 63.50 62.22 3ngb n PRO 364 Cb 0.50 -2.09 0.29 0.00 -0.02 0.00 0.00 33.50 32.18 3ngb n PRO 364 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3ngb h SER 365 N 2.04 0.00 0.00 2.55 0.02 -1.95 -3.48 113.55 112.73 3ngb h SER 365 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3ngb h SER 365 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 3ngb h SER 365 CO 0.60 0.46 0.00 0.61 -1.14 0.00 0.00 176.83 177.36 3ngb n GLY 366 N -0.07 -1.47 0.00 -3.77 0.00 -1.26 -5.19 105.19 93.43 3ngb n GLY 366 Ca -0.01 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3ngb n GLY 366 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ngb n GLY 367 N -0.15 1.69 3.54 -0.02 0.00 -1.26 -4.67 105.19 104.32 3ngb n GLY 367 Ca 0.00 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.50 3ngb n GLY 367 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ngb n ASP 368 N 0.00 -0.86 0.17 1.61 8.00 -1.26 -4.56 116.55 119.64 3ngb n ASP 368 Ca 0.00 0.31 0.13 0.00 0.71 0.00 0.00 54.79 55.93 3ngb n ASP 368 Cb 0.00 -1.33 0.58 0.00 -0.02 0.00 0.00 41.12 40.35 3ngb n ASP 368 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3ngb h LEU 369 N -1.86 0.00 -0.09 0.64 5.85 -1.97 0.83 115.31 118.70 3ngb h LEU 369 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3ngb h LEU 369 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3ngb h LEU 369 CO 0.39 0.00 0.00 -0.62 -0.34 0.00 0.00 178.44 177.87 3ngb n GLU 370 N -2.37 0.08 -0.06 1.25 4.71 -1.26 -2.97 120.64 120.02 3ngb n GLU 370 Ca 0.01 0.16 -0.08 0.00 -0.01 0.00 0.00 57.16 57.24 3ngb n GLU 370 Cb 0.16 -1.61 -0.05 0.00 -1.01 0.00 0.00 31.44 28.93 3ngb n GLU 370 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 3ngb n ILE 371 N -1.75 0.65 1.10 -3.67 5.41 0.20 -4.44 119.36 116.86 3ngb n ILE 371 Ca 0.05 -0.25 0.12 0.00 1.00 0.00 0.00 62.75 63.67 3ngb n ILE 371 Cb 0.30 -0.90 0.59 0.00 -0.71 0.00 0.00 39.64 38.92 3ngb n ILE 371 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3ngb n THR 372 N -2.82 0.26 -4.21 1.39 -2.24 -0.71 -4.71 114.28 101.25 3ngb n THR 372 Ca -0.20 0.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 3ngb n THR 372 Cb 0.71 -0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 68.17 3ngb n THR 372 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3ngb s MET 373 N -2.59 1.08 -0.72 -0.78 -1.94 -1.16 -4.83 119.30 108.37 3ngb s MET 373 Ca 0.22 -1.53 -0.27 0.00 -1.71 0.00 0.00 55.69 52.39 3ngb s MET 373 Cb 0.16 -0.01 0.02 0.00 2.01 0.00 0.00 34.83 37.01 3ngb s MET 373 CO 0.36 -0.23 1.37 -1.58 -0.01 0.00 0.00 175.02 174.93 3ngb s HIS 374 N -3.87 2.19 -0.23 -0.03 2.46 0.90 -4.76 115.29 111.95 3ngb s HIS 374 Ca 0.27 0.08 -0.10 0.00 0.47 0.00 0.00 55.06 55.78 3ngb s HIS 374 Cb 0.07 -4.55 -0.05 0.00 -0.13 0.00 0.00 32.58 27.92 3ngb s HIS 374 CO 0.05 -2.11 0.14 -1.58 -2.47 0.00 0.00 174.74 168.77 3ngb s HIS 375 N 6.24 3.33 0.26 3.88 5.04 -1.26 -1.68 115.29 131.10 3ngb s HIS 375 Ca 0.40 0.23 -0.16 0.00 -1.54 0.00 0.00 55.06 53.98 3ngb s HIS 375 Cb -0.09 -2.23 0.01 0.00 0.04 0.00 0.00 32.58 30.31 3ngb s HIS 375 CO 0.16 0.12 0.58 -0.59 -2.34 0.00 0.00 174.74 172.67 3ngb s PHE 376 N 0.85 0.13 -0.20 3.88 -0.71 -1.16 -2.24 117.98 118.52 3ngb s PHE 376 Ca 0.07 -0.53 0.00 0.00 -1.04 0.00 0.00 56.93 55.43 3ngb s PHE 376 Cb -0.13 0.41 0.02 0.00 -1.21 0.00 0.00 43.02 42.11 3ngb s PHE 376 CO 0.03 -1.09 -0.15 1.21 -1.34 0.00 0.00 175.22 173.87 3ngb s ASN 377 N -2.98 3.57 -0.21 1.98 3.84 -1.26 -1.52 114.94 118.37 3ngb s ASN 377 Ca 0.18 -0.70 0.01 0.00 0.21 0.00 0.00 52.86 52.56 3ngb s ASN 377 Cb -0.03 -1.55 0.05 0.00 -0.55 0.00 0.00 41.25 39.17 3ngb s ASN 377 CO 0.08 -0.03 -0.09 0.00 -2.79 0.00 0.00 177.10 174.26 3ngb n ARG 379 N 4.68 -5.28 0.00 0.00 3.00 -1.26 -2.43 116.66 115.37 3ngb n ARG 379 Ca -0.14 0.69 0.00 0.00 -0.01 0.00 0.00 57.85 58.39 3ngb n ARG 379 Cb 0.46 -5.21 0.00 0.00 0.00 0.00 0.00 32.46 27.71 3ngb n ARG 379 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ngb n GLY 380 N -1.56 2.76 3.89 -0.13 0.00 -1.26 -4.74 105.19 104.15 3ngb n GLY 380 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3ngb n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ngb s GLU 381 N -0.11 3.69 -0.33 1.61 0.41 -1.02 -5.00 118.70 117.95 3ngb s GLU 381 Ca 0.00 0.10 -0.09 0.00 -0.41 0.00 0.00 54.97 54.57 3ngb s GLU 381 Cb 0.00 -2.67 0.01 0.00 -1.78 0.00 0.00 34.13 29.69 3ngb s GLU 381 CO 0.00 0.28 0.15 -0.06 -0.49 0.00 0.00 175.26 175.14 3ngb s PHE 382 N -1.94 3.20 0.15 1.61 0.08 -1.26 -1.46 117.98 118.37 3ngb s PHE 382 Ca 0.45 -0.87 -0.05 0.00 0.12 0.00 0.00 56.93 56.57 3ngb s PHE 382 Cb -0.11 -2.36 -0.06 0.00 -0.57 0.00 0.00 43.02 39.93 3ngb s PHE 382 CO 0.26 -0.57 0.40 -0.06 -0.10 0.00 0.00 175.22 175.15 3ngb s PHE 383 N 1.55 3.47 -0.36 0.36 0.08 -0.58 -1.91 117.98 120.59 3ngb s PHE 383 Ca 0.03 0.60 -0.00 0.00 0.12 0.00 0.00 56.93 57.68 3ngb s PHE 383 Cb -0.18 -2.04 0.12 0.00 -0.57 0.00 0.00 43.02 40.35 3ngb s PHE 383 CO 0.05 0.42 0.18 0.71 -0.10 0.00 0.00 175.22 176.47 3ngb s TYR 384 N -1.67 1.33 -0.06 0.36 2.02 -0.51 -3.00 117.35 115.82 3ngb s TYR 384 Ca 0.42 -1.80 -0.12 0.00 -0.37 0.00 0.00 57.07 55.20 3ngb s TYR 384 Cb -0.12 -1.44 -0.05 0.00 -0.40 0.00 0.00 41.96 39.95 3ngb s TYR 384 CO 0.24 -0.83 0.30 0.00 -1.57 0.00 0.00 175.55 173.69 3ngb s ASN 386 N -0.90 6.36 -0.17 0.00 3.84 -0.85 -0.07 114.94 123.14 3ngb s ASN 386 Ca 0.20 -0.15 0.11 0.00 0.21 0.00 0.00 52.86 53.23 3ngb s ASN 386 Cb -0.15 -2.32 0.62 0.00 -0.55 0.00 0.00 41.25 38.85 3ngb s ASN 386 CO 0.09 -0.70 1.44 0.35 -2.79 0.00 0.00 177.10 175.50 3ngb n THR 387 N 5.74 2.04 -0.09 -5.21 -2.24 -1.26 -4.28 114.28 108.98 3ngb n THR 387 Ca -0.02 -1.05 -0.07 0.00 -2.27 0.00 0.00 64.05 60.65 3ngb n THR 387 Cb 0.48 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 3ngb n THR 387 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3ngb h THR 388 N 3.03 0.86 -0.06 4.28 2.02 -1.94 -1.73 112.91 119.36 3ngb h THR 388 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3ngb h THR 388 Cb 1.59 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 3ngb h THR 388 CO 0.36 0.03 0.00 0.00 0.37 0.00 0.00 175.52 176.28 3ngb n GLN 389 N -5.08 1.38 0.06 6.66 10.64 -1.26 -3.51 117.38 126.26 3ngb n GLN 389 Ca 0.00 -0.57 -0.21 0.00 -1.83 0.00 0.00 57.00 54.39 3ngb n GLN 389 Cb 0.13 -1.40 -0.15 0.00 -0.86 0.00 0.00 30.24 27.97 3ngb n GLN 389 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 3ngb h LEU 390 N 1.22 0.52 -7.22 2.61 5.85 -1.62 -3.37 115.31 113.30 3ngb h LEU 390 Ca 0.00 -0.93 -0.78 0.00 0.84 0.00 0.00 57.88 57.01 3ngb h LEU 390 Cb 0.26 -0.17 -0.24 0.00 0.37 0.00 0.00 40.66 40.89 3ngb h LEU 390 CO 0.00 1.50 1.02 0.49 -0.34 0.00 0.00 178.44 181.11 3ngb n PHE 391 N -4.01 3.98 -3.44 1.25 3.01 -1.15 -4.99 117.46 112.11 3ngb n PHE 391 Ca -0.17 -3.23 -0.39 0.00 1.01 0.00 0.00 57.45 54.67 3ngb n PHE 391 Cb 0.89 -1.73 -0.10 0.00 -0.01 0.00 0.00 39.48 38.54 3ngb n PHE 391 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3ngb s ASN 392 N 0.71 6.18 0.18 4.37 3.84 -1.26 -4.83 114.94 124.12 3ngb s ASN 392 Ca 0.35 0.06 -0.11 0.00 0.21 0.00 0.00 52.86 53.37 3ngb s ASN 392 Cb -0.01 -2.19 0.08 0.00 -0.55 0.00 0.00 41.25 38.58 3ngb s ASN 392 CO 0.00 -0.20 1.70 0.78 -2.79 0.00 0.00 177.10 176.59 3ngb h ASN 393 N 8.31 0.91 -0.61 -4.21 2.35 -1.94 -3.08 115.58 117.30 3ngb h ASN 393 Ca -0.32 -0.22 0.05 0.00 -0.55 0.00 0.00 56.30 55.26 3ngb h ASN 393 Cb 1.16 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 39.24 3ngb h ASN 393 CO 0.64 0.89 0.34 0.74 -1.65 0.00 0.00 177.43 178.39 3ngb h THR 394 N 0.89 0.99 -0.44 2.81 2.02 -1.97 -3.10 112.91 114.10 3ngb h THR 394 Ca 0.20 -0.22 -0.71 0.00 0.77 0.00 0.00 66.41 66.45 3ngb h THR 394 Cb 0.31 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 3ngb h THR 394 CO -0.00 0.12 3.17 0.00 0.37 0.00 0.00 175.52 179.17 3ngb n ILE 396 N 3.36 0.00 0.00 0.00 0.13 -1.17 -4.88 119.36 116.80 3ngb n ILE 396 Ca 0.66 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.31 3ngb n ILE 396 Cb 0.28 0.02 0.00 0.00 -0.84 0.00 0.00 39.64 39.09 3ngb n ILE 396 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3ngb n GLY 397 N 0.00 0.00 2.53 4.50 0.00 -1.22 -4.91 105.19 106.09 3ngb n GLY 397 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3ngb n GLY 397 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ngb s ASN 404 N -3.50 2.96 -0.46 1.61 0.01 -1.23 -4.98 114.94 109.35 3ngb s ASN 404 Ca 0.00 -2.50 -0.01 0.00 -0.71 0.00 0.00 52.86 49.63 3ngb s ASN 404 Cb 0.00 -0.62 0.30 0.00 0.41 0.00 0.00 41.25 41.34 3ngb s ASN 404 CO 0.00 -0.27 2.05 -0.62 -1.51 0.00 0.00 177.10 176.75 3ngb n GLU 405 N 3.64 2.16 0.01 -0.60 1.02 -1.26 -4.49 120.64 121.12 3ngb n GLU 405 Ca 0.14 -2.24 -0.22 0.00 -0.02 0.00 0.00 57.16 54.82 3ngb n GLU 405 Cb 0.38 -1.88 -0.14 0.00 -0.02 0.00 0.00 31.44 29.78 3ngb n GLU 405 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3ngb h THR 406 N 1.04 0.94 -3.57 2.62 2.02 -1.96 -3.43 112.91 110.57 3ngb h THR 406 Ca 0.41 -2.39 -0.73 0.00 0.77 0.00 0.00 66.41 64.47 3ngb h THR 406 Cb 0.86 2.66 -0.32 0.00 -1.74 0.00 0.00 68.15 69.61 3ngb h THR 406 CO 1.08 0.74 -0.25 -0.04 0.37 0.00 0.00 175.52 177.42 3ngb s MET 407 N -2.50 2.81 1.55 6.66 -1.94 -1.26 -5.05 119.30 119.56 3ngb s MET 407 Ca -0.20 -2.35 0.00 0.00 -1.71 0.00 0.00 55.69 51.43 3ngb s MET 407 Cb 0.05 -3.95 0.00 0.00 2.01 0.00 0.00 34.83 32.94 3ngb s MET 407 CO 0.77 -1.21 0.00 1.17 -0.01 0.00 0.00 175.02 175.74 3ngb n LYS 408 N 3.92 0.00 0.00 2.03 4.81 -1.26 -4.87 118.16 122.79 3ngb n LYS 408 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 3ngb n LYS 408 Cb 0.41 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.46 3ngb n LYS 408 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ngb n GLY 409 N 0.00 1.51 0.66 3.14 0.00 -1.26 -4.56 105.19 104.67 3ngb n GLY 409 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3ngb n GLY 409 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ngb n ASN 411 N 0.26 3.34 -4.33 0.00 4.13 -1.26 -3.20 115.26 114.20 3ngb n ASN 411 Ca 0.00 -0.01 -0.30 0.00 1.68 0.00 0.00 54.58 55.96 3ngb n ASN 411 Cb 0.26 0.54 0.17 0.00 -1.54 0.00 0.00 39.78 39.21 3ngb n ASN 411 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3ngb s GLY 412 N -3.98 1.70 -0.27 7.41 0.00 -1.07 -4.29 107.32 106.82 3ngb s GLY 412 Ca -0.05 -0.98 -0.24 0.00 0.00 0.00 0.00 44.72 43.45 3ngb s GLY 412 CO 0.26 -0.28 0.79 -1.59 0.00 0.00 0.00 173.10 172.28 3ngb s THR 413 N -3.66 4.83 -0.11 0.90 2.01 -1.26 -3.27 115.64 115.08 3ngb s THR 413 Ca 0.70 1.37 -0.24 0.00 0.31 0.00 0.00 61.69 63.83 3ngb s THR 413 Cb -0.07 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 3ngb s THR 413 CO 0.53 -0.14 0.74 0.27 -0.69 0.00 0.00 174.62 175.33 3ngb s ILE 414 N 2.86 4.99 -0.19 1.82 -4.36 -1.07 -4.94 121.20 120.31 3ngb s ILE 414 Ca 0.33 1.49 -0.01 0.00 -0.26 0.00 0.00 60.65 62.20 3ngb s ILE 414 Cb -0.15 -4.07 0.00 0.00 1.25 0.00 0.00 42.46 39.50 3ngb s ILE 414 CO 0.10 0.17 -0.13 0.42 0.24 0.00 0.00 174.94 175.74 3ngb s THR 415 N 1.33 2.72 -0.17 8.37 -4.23 -1.26 -1.47 115.64 120.92 3ngb s THR 415 Ca 0.37 -0.72 -0.17 0.00 -1.18 0.00 0.00 61.69 59.99 3ngb s THR 415 Cb -0.17 -2.19 -0.04 0.00 1.34 0.00 0.00 72.50 71.44 3ngb s THR 415 CO 0.16 0.49 0.44 -0.76 -0.54 0.00 0.00 174.62 174.41 3ngb s LEU 416 N 1.25 4.19 -0.36 4.79 1.43 0.53 -4.89 118.68 125.63 3ngb s LEU 416 Ca 0.03 0.64 -0.28 0.00 -1.03 0.00 0.00 54.13 53.49 3ngb s LEU 416 Cb -0.14 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 3ngb s LEU 416 CO -0.06 -0.07 2.03 -2.84 0.23 0.00 0.00 176.35 175.64 3ngb s PRO 417 N 1.13 2.97 0.37 1.29 0.02 -1.26 -1.63 135.00 137.91 3ngb s PRO 417 Ca 0.22 1.49 0.08 0.00 0.02 0.00 0.00 61.00 62.80 3ngb s PRO 417 Cb -0.15 -4.34 -0.03 0.00 0.02 0.00 0.00 34.50 30.01 3ngb s PRO 417 CO 0.09 -2.28 0.30 0.00 -0.33 0.00 0.00 177.00 174.78 3ngb s LYS 419 N -4.03 0.57 -0.62 0.00 -2.85 -1.08 -1.08 119.74 110.65 3ngb s LYS 419 Ca 0.43 0.88 -0.23 0.00 -1.00 0.00 0.00 55.97 56.06 3ngb s LYS 419 Cb -0.04 0.15 0.06 0.00 -2.06 0.00 0.00 37.83 35.94 3ngb s LYS 419 CO 0.26 -0.12 0.98 0.42 0.10 0.00 0.00 175.35 176.99 3ngb s ILE 420 N 1.01 4.31 0.53 3.79 1.01 0.79 -1.42 121.20 131.21 3ngb s ILE 420 Ca -0.06 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 3ngb s ILE 420 Cb -0.06 -4.65 -0.03 0.00 0.01 0.00 0.00 42.46 37.74 3ngb s ILE 420 CO -0.09 -1.36 0.87 -0.54 0.00 0.00 0.00 174.94 173.82 3ngb s LYS 421 N 4.14 3.47 -0.01 2.79 1.02 -0.80 -4.82 119.74 125.53 3ngb s LYS 421 Ca 0.26 0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.59 3ngb s LYS 421 Cb -0.15 -2.28 -0.02 0.00 -0.52 0.00 0.00 37.83 34.86 3ngb s LYS 421 CO 0.14 -0.37 0.02 1.04 -0.92 0.00 0.00 175.35 175.26 3ngb n GLN 422 N -2.44 1.81 -3.24 1.68 6.02 -1.26 -4.39 117.38 115.56 3ngb n GLN 422 Ca 0.02 -0.01 -0.46 0.00 -0.01 0.00 0.00 57.00 56.55 3ngb n GLN 422 Cb 0.55 -1.04 -0.04 0.00 1.02 0.00 0.00 30.24 30.73 3ngb n GLN 422 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3ngb s ILE 423 N -2.08 5.15 0.34 5.09 1.01 -1.26 -0.97 121.20 128.49 3ngb s ILE 423 Ca -0.01 -1.55 0.09 0.00 0.00 0.00 0.00 60.65 59.18 3ngb s ILE 423 Cb 0.01 -4.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.00 3ngb s ILE 423 CO 0.07 -1.01 0.05 0.27 0.00 0.00 0.00 174.94 174.32 3ngb s ILE 424 N 1.68 2.68 -0.40 2.92 -4.36 -0.70 -4.96 121.20 118.06 3ngb s ILE 424 Ca 0.10 -1.90 -0.15 0.00 -0.26 0.00 0.00 60.65 58.44 3ngb s ILE 424 Cb -0.23 -2.85 0.01 0.00 1.25 0.00 0.00 42.46 40.64 3ngb s ILE 424 CO 0.01 -0.18 0.31 0.20 0.24 0.00 0.00 174.94 175.52 3ngb s ASN 425 N -3.75 6.12 0.08 4.36 0.01 -1.26 -1.59 114.94 118.90 3ngb s ASN 425 Ca 0.36 -0.78 -0.32 0.00 -0.71 0.00 0.00 52.86 51.41 3ngb s ASN 425 Cb -0.00 -2.17 -0.11 0.00 0.41 0.00 0.00 41.25 39.38 3ngb s ASN 425 CO 0.20 -0.43 1.83 0.23 -1.51 0.00 0.00 177.10 177.42 3ngb n MET 426 N 5.22 2.61 0.18 -0.60 2.81 -1.03 -4.86 117.12 121.45 3ngb n MET 426 Ca -0.11 0.95 0.13 0.00 -1.81 0.00 0.00 57.70 56.86 3ngb n MET 426 Cb 0.48 -2.83 0.28 0.00 -0.71 0.00 0.00 33.22 30.44 3ngb n MET 426 CO 0.00 0.00 0.00 0.11 1.51 0.00 0.00 175.97 177.59 3ngb h TRP 427 N 8.53 0.00 -0.79 2.03 5.08 -1.96 -3.27 115.95 125.56 3ngb h TRP 427 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.51 3ngb h TRP 427 Cb 1.24 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.36 3ngb h TRP 427 CO 0.80 0.00 0.51 1.96 -1.28 0.00 0.00 178.44 180.43 3ngb h GLN 428 N 0.00 1.05 0.00 0.12 7.50 -1.97 -3.48 115.11 118.33 3ngb h GLN 428 Ca 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.08 3ngb h GLN 428 Cb 0.87 -0.23 0.00 0.00 0.05 0.00 0.00 27.48 28.17 3ngb h GLN 428 CO 0.00 0.71 0.00 0.41 -1.50 0.00 0.00 178.83 178.45 3ngb n GLY 429 N -1.28 3.63 3.82 3.46 0.00 -1.23 -5.10 105.19 108.49 3ngb n GLY 429 Ca 0.08 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 3ngb n GLY 429 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ngb s THR 430 N -0.12 5.37 0.00 2.61 2.01 -1.26 -4.71 115.64 119.55 3ngb s THR 430 Ca 0.00 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.38 3ngb s THR 430 Cb 0.00 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 69.01 3ngb s THR 430 CO 0.00 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.09 3ngb n GLY 431 N 2.41 3.35 3.88 4.40 0.00 -1.26 -4.79 105.19 113.17 3ngb n GLY 431 Ca -0.17 -1.94 -0.21 0.00 0.00 0.00 0.00 46.02 43.70 3ngb n GLY 431 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ngb s GLN 432 N -3.01 2.92 -0.07 1.61 -0.21 -0.48 -2.46 119.66 117.97 3ngb s GLN 432 Ca 0.00 -1.12 -0.05 0.00 0.02 0.00 0.00 55.36 54.21 3ngb s GLN 432 Cb 0.00 -2.60 0.03 0.00 1.00 0.00 0.00 33.01 31.43 3ngb s GLN 432 CO 0.00 0.22 0.18 0.00 -2.12 0.00 0.00 175.29 173.57 3ngb s ALA 433 N -2.20 -0.43 -0.13 6.09 0.00 -0.62 -1.86 121.76 122.62 3ngb s ALA 433 Ca 0.38 0.61 -0.03 0.00 0.00 0.00 0.00 51.96 52.92 3ngb s ALA 433 Cb -0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 3ngb s ALA 433 CO 0.27 -0.11 -0.03 1.41 0.00 0.00 0.00 175.76 177.30 3ngb s MET 434 N 0.46 3.41 0.41 0.00 1.75 -0.45 -1.72 119.30 123.16 3ngb s MET 434 Ca -0.03 -0.49 0.07 0.00 -1.25 0.00 0.00 55.69 53.99 3ngb s MET 434 Cb -0.04 -2.86 -0.06 0.00 2.84 0.00 0.00 34.83 34.71 3ngb s MET 434 CO -0.02 0.40 0.15 0.71 -0.65 0.00 0.00 175.02 175.61 3ngb s TYR 435 N -0.07 2.59 0.67 4.11 1.51 -0.14 -0.15 117.35 125.87 3ngb s TYR 435 Ca 0.02 -0.60 -0.14 0.00 -1.01 0.00 0.00 57.07 55.34 3ngb s TYR 435 Cb -0.13 -1.92 0.00 0.00 -0.11 0.00 0.00 41.96 39.80 3ngb s TYR 435 CO 0.02 0.23 1.09 0.00 -1.11 0.00 0.00 175.55 175.79 3ngb s ALA 436 N -2.62 2.53 0.77 3.71 0.00 -1.26 -4.81 121.76 120.07 3ngb s ALA 436 Ca 0.40 0.41 -0.15 0.00 0.00 0.00 0.00 51.96 52.62 3ngb s ALA 436 Cb 0.05 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.93 3ngb s ALA 436 CO 0.22 -1.23 0.99 -2.30 0.00 0.00 0.00 175.76 173.43 3ngb n PRO 437 N -2.58 0.33 -1.60 0.00 -0.02 -1.26 -4.90 135.00 124.97 3ngb n PRO 437 Ca 0.09 0.18 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 3ngb n PRO 437 Cb 0.53 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.76 3ngb n PRO 437 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3ngb n PRO 438 N -2.28 1.26 -1.78 0.52 -0.02 -1.26 -4.94 135.00 126.50 3ngb n PRO 438 Ca 0.13 0.45 -0.35 0.00 -2.02 0.00 0.00 63.50 61.71 3ngb n PRO 438 Cb 0.50 -1.99 0.05 0.00 -0.02 0.00 0.00 33.50 32.04 3ngb n PRO 438 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3ngb s ILE 439 N -1.29 2.66 0.73 4.25 -4.36 -1.26 -5.01 121.20 116.91 3ngb s ILE 439 Ca 0.64 0.36 -0.11 0.00 -0.26 0.00 0.00 60.65 61.28 3ngb s ILE 439 Cb -0.56 -3.01 0.03 0.00 1.25 0.00 0.00 42.46 40.17 3ngb s ILE 439 CO 0.57 -0.14 1.07 1.51 0.24 0.00 0.00 174.94 178.19 3ngb s ASP 440 N -1.93 5.09 0.00 4.36 1.47 -1.26 -4.92 116.67 119.47 3ngb s ASP 440 Ca 0.74 1.59 0.00 0.00 1.18 0.00 0.00 52.55 56.07 3ngb s ASP 440 Cb -0.28 -2.42 0.00 0.00 -0.34 0.00 0.00 42.92 39.88 3ngb s ASP 440 CO 0.38 -1.63 0.00 0.61 0.68 0.00 0.00 175.17 175.22 3ngb n GLY 441 N -1.89 -0.77 3.70 2.12 0.00 -1.26 -4.91 105.19 102.18 3ngb n GLY 441 Ca 0.08 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 3ngb n GLY 441 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ngb n LYS 442 N -0.87 2.64 -3.86 1.61 4.81 -1.26 -4.55 118.16 116.67 3ngb n LYS 442 Ca 0.00 0.95 -0.34 0.00 -0.87 0.00 0.00 58.31 58.05 3ngb n LYS 442 Cb 0.00 -2.79 -0.13 0.00 0.02 0.00 0.00 35.03 32.13 3ngb n LYS 442 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3ngb s ILE 443 N 1.48 2.95 0.03 3.15 1.01 -0.39 -4.97 121.20 124.45 3ngb s ILE 443 Ca 0.78 -2.11 0.09 0.00 0.00 0.00 0.00 60.65 59.40 3ngb s ILE 443 Cb -0.54 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 3ngb s ILE 443 CO 0.35 -0.63 -0.25 0.21 0.00 0.00 0.00 174.94 174.62 3ngb s ASN 444 N 1.51 3.26 -0.28 3.58 2.47 -1.26 -0.27 114.94 123.95 3ngb s ASN 444 Ca 0.08 -0.53 -0.02 0.00 0.42 0.00 0.00 52.86 52.81 3ngb s ASN 444 Cb -0.21 -0.36 0.17 0.00 -1.45 0.00 0.00 41.25 39.39 3ngb s ASN 444 CO -0.05 0.27 0.51 0.00 -3.72 0.00 0.00 177.10 174.11 3ngb s VAL 446 N 2.73 5.24 0.10 0.00 0.11 -1.26 -3.07 120.40 124.26 3ngb s VAL 446 Ca 0.17 0.46 0.10 0.00 -2.93 0.00 0.00 61.98 59.78 3ngb s VAL 446 Cb -0.15 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 31.02 3ngb s VAL 446 CO -0.19 0.23 -0.24 -0.44 -3.33 0.00 0.00 175.10 171.13 3ngb s SER 447 N 1.41 2.96 -0.32 3.54 0.01 -0.69 -5.00 113.70 115.61 3ngb s SER 447 Ca 0.13 -0.69 -0.22 0.00 1.31 0.00 0.00 55.95 56.48 3ngb s SER 447 Cb -0.15 -0.20 -0.00 0.00 0.21 0.00 0.00 66.02 65.88 3ngb s SER 447 CO 0.09 0.14 0.72 0.20 0.41 0.00 0.00 173.24 174.80 3ngb s ASN 448 N -1.84 6.57 -0.47 2.44 0.01 -1.26 -1.89 114.94 118.50 3ngb s ASN 448 Ca 0.11 0.51 -0.28 0.00 -0.71 0.00 0.00 52.86 52.48 3ngb s ASN 448 Cb -0.10 -2.37 0.03 0.00 0.41 0.00 0.00 41.25 39.22 3ngb s ASN 448 CO 0.05 -0.58 1.08 -0.63 -1.51 0.00 0.00 177.10 175.51 3ngb s ILE 449 N 2.83 4.28 -0.24 0.60 1.01 -0.32 -0.67 121.20 128.69 3ngb s ILE 449 Ca 0.29 1.10 0.06 0.00 0.00 0.00 0.00 60.65 62.11 3ngb s ILE 449 Cb -0.14 -4.56 -0.08 0.00 0.01 0.00 0.00 42.46 37.70 3ngb s ILE 449 CO 0.13 -0.95 0.25 0.35 0.00 0.00 0.00 174.94 174.71 3ngb n THR 450 N 6.71 0.00 -3.80 2.92 -2.24 -0.52 -2.50 114.28 114.85 3ngb n THR 450 Ca 0.10 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 3ngb n THR 450 Cb 0.49 0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 69.53 3ngb n THR 450 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3ngb s GLY 451 N -1.83 0.04 -0.04 3.38 0.00 -1.11 -0.89 107.32 106.87 3ngb s GLY 451 Ca 0.01 -0.47 -0.02 0.00 0.00 0.00 0.00 44.72 44.25 3ngb s GLY 451 CO 0.26 -0.63 0.07 -0.42 0.00 0.00 0.00 173.10 172.38 3ngb s ILE 452 N -3.86 -0.11 0.01 0.90 1.01 -0.62 -0.87 121.20 117.66 3ngb s ILE 452 Ca 0.07 0.36 -0.20 0.00 0.00 0.00 0.00 60.65 60.87 3ngb s ILE 452 Cb 0.03 -0.15 -0.06 0.00 0.01 0.00 0.00 42.46 42.30 3ngb s ILE 452 CO -0.09 0.15 0.59 -0.76 0.00 0.00 0.00 174.94 174.83 3ngb s LEU 453 N 1.86 4.44 0.01 2.97 1.43 0.22 -0.26 118.68 129.34 3ngb s LEU 453 Ca 0.01 1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 54.27 3ngb s LEU 453 Cb -0.12 -2.92 -0.01 0.00 0.03 0.00 0.00 46.19 43.16 3ngb s LEU 453 CO -0.03 0.13 0.01 -0.76 0.23 0.00 0.00 176.35 175.93 3ngb s LEU 454 N -0.35 2.06 -0.19 1.79 1.43 -0.07 0.15 118.68 123.50 3ngb s LEU 454 Ca 0.31 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 3ngb s LEU 454 Cb -0.18 0.20 0.04 0.00 0.03 0.00 0.00 46.19 46.28 3ngb s LEU 454 CO 0.18 -0.26 -0.08 -0.89 0.23 0.00 0.00 176.35 175.52 3ngb s THR 455 N -1.20 1.41 0.24 5.49 2.01 0.87 -1.39 115.64 123.07 3ngb s THR 455 Ca -0.13 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 60.72 3ngb s THR 455 Cb -0.08 -1.53 -0.09 0.00 0.01 0.00 0.00 72.50 70.81 3ngb s THR 455 CO -0.00 0.14 0.98 -0.60 -0.69 0.00 0.00 174.62 174.45 3ngb s ARG 456 N 1.50 4.80 0.43 4.92 3.52 -1.26 -2.22 118.95 130.64 3ngb s ARG 456 Ca -0.01 1.56 -0.22 0.00 -0.13 0.00 0.00 55.73 56.94 3ngb s ARG 456 Cb -0.16 -3.27 -0.10 0.00 -1.56 0.00 0.00 34.95 29.87 3ngb s ARG 456 CO -0.08 0.42 0.99 -0.51 -0.81 0.00 0.00 175.30 175.32 3ngb s ASP 457 N -1.00 6.75 0.30 -2.12 -0.00 -0.58 -4.84 116.67 115.17 3ngb s ASP 457 Ca 0.42 1.84 0.03 0.00 -0.00 0.00 0.00 52.55 54.84 3ngb s ASP 457 Cb -0.27 -2.56 -0.06 0.00 -0.00 0.00 0.00 42.92 40.03 3ngb s ASP 457 CO 0.34 -0.49 0.06 -0.83 -0.00 0.00 0.00 175.17 174.25 3ngb s GLY 458 N -1.96 1.93 0.00 0.21 0.00 -1.26 -4.84 107.32 101.39 3ngb s GLY 458 Ca 0.62 -1.98 0.00 0.00 0.00 0.00 0.00 44.72 43.36 3ngb s GLY 458 CO 0.19 -1.74 0.00 0.61 0.00 0.00 0.00 173.10 172.16 3ngb n GLY 459 N -0.59 1.32 3.76 0.20 0.00 -1.26 -5.10 105.19 103.52 3ngb n GLY 459 Ca -0.02 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 3ngb n GLY 459 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ngb s ALA 460 N -1.42 1.91 -0.50 4.61 0.00 -1.26 -4.95 121.76 120.16 3ngb s ALA 460 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 3ngb s ALA 460 Cb 0.00 -3.14 0.22 0.00 0.00 0.00 0.00 23.12 20.20 3ngb s ALA 460 CO 0.00 -2.03 2.29 0.09 0.00 0.00 0.00 175.76 176.10 3ngb n ASN 461 N -3.65 6.83 -4.51 0.00 5.03 -1.26 -4.86 115.26 112.84 3ngb n ASN 461 Ca 0.07 -3.34 -0.32 0.00 0.87 0.00 0.00 54.58 51.85 3ngb n ASN 461 Cb 0.56 -1.11 -0.05 0.00 -1.02 0.00 0.00 39.78 38.16 3ngb n ASN 461 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3ngb n ASN 462 N 0.19 3.42 -0.42 6.41 5.15 -1.26 -4.76 115.26 124.00 3ngb n ASN 462 Ca 0.46 -2.74 0.00 0.00 -0.60 0.00 0.00 54.58 51.69 3ngb n ASN 462 Cb 0.54 -1.70 0.00 0.00 -0.53 0.00 0.00 39.78 38.09 3ngb n ASN 462 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3ngb n THR 463 N 7.38 0.00 -0.01 -0.44 -2.24 -1.26 -2.37 114.28 115.33 3ngb n THR 463 Ca 0.46 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.27 3ngb n THR 463 Cb 0.46 -0.35 -0.07 0.00 -2.10 0.00 0.00 70.33 68.27 3ngb n THR 463 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3ngb n SER 464 N -0.00 2.93 -4.22 3.42 3.41 -1.26 -4.82 113.62 113.08 3ngb n SER 464 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 3ngb n SER 464 Cb 0.17 1.25 -0.12 0.00 -0.26 0.00 0.00 64.21 65.25 3ngb n SER 464 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3ngb s ASN 465 N -3.27 2.02 -0.32 4.04 0.01 -1.00 -0.98 114.94 115.44 3ngb s ASN 465 Ca -0.03 -0.67 -0.01 0.00 -0.71 0.00 0.00 52.86 51.43 3ngb s ASN 465 Cb 0.05 -0.08 0.10 0.00 0.41 0.00 0.00 41.25 41.73 3ngb s ASN 465 CO 0.37 -0.04 0.12 -1.61 -1.51 0.00 0.00 177.10 174.43 3ngb s GLU 466 N -1.94 0.65 -0.19 -0.60 0.41 -0.33 -4.84 118.70 111.86 3ngb s GLU 466 Ca 0.03 -1.05 -0.26 0.00 -0.41 0.00 0.00 54.97 53.27 3ngb s GLU 466 Cb -0.09 -1.83 -0.01 0.00 -1.78 0.00 0.00 34.13 30.42 3ngb s GLU 466 CO 0.03 -1.02 0.88 0.99 -0.49 0.00 0.00 175.26 175.66 3ngb s THR 467 N 1.59 4.83 0.12 3.63 2.01 -1.26 -2.96 115.64 123.59 3ngb s THR 467 Ca 0.11 1.72 0.08 0.00 0.31 0.00 0.00 61.69 63.90 3ngb s THR 467 Cb -0.18 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 3ngb s THR 467 CO -0.24 -0.03 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.18 3ngb s PHE 468 N 2.46 2.68 -0.00 4.92 0.08 -0.72 -1.53 117.98 125.86 3ngb s PHE 468 Ca 0.39 -0.19 0.02 0.00 0.12 0.00 0.00 56.93 57.27 3ngb s PHE 468 Cb -0.16 -1.40 -0.00 0.00 -0.57 0.00 0.00 43.02 40.89 3ngb s PHE 468 CO 0.11 0.43 -0.05 1.03 -0.10 0.00 0.00 175.22 176.63 3ngb s ARG 469 N -2.26 0.43 -0.64 0.44 0.52 -0.94 -1.46 118.95 115.04 3ngb s ARG 469 Ca 0.21 -0.18 -0.30 0.00 -0.52 0.00 0.00 55.73 54.94 3ngb s ARG 469 Cb -0.11 -0.42 -0.13 0.00 0.52 0.00 0.00 34.95 34.81 3ngb s ARG 469 CO 0.13 0.11 2.47 -2.30 0.02 0.00 0.00 175.30 175.73 3ngb n PRO 470 N 2.98 0.68 -2.19 3.54 -0.02 -1.26 -0.09 135.00 138.63 3ngb n PRO 470 Ca -0.13 0.06 -0.32 0.00 -2.02 0.00 0.00 63.50 61.09 3ngb n PRO 470 Cb 0.58 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 3ngb n PRO 470 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ngb s GLY 471 N 10.09 1.93 -0.22 -1.23 0.00 0.12 -4.72 107.32 113.28 3ngb s GLY 471 Ca 1.14 0.10 -0.08 0.00 0.00 0.00 0.00 44.72 45.88 3ngb s GLY 471 CO 0.39 0.37 -0.27 0.61 0.00 0.00 0.00 173.10 174.21 3ngb n GLY 472 N -1.95 -0.35 7.00 0.20 0.00 -1.26 -2.55 105.19 106.28 3ngb n GLY 472 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3ngb n GLY 472 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ngb n GLY 473 N 1.79 0.71 3.90 -0.02 0.00 -1.26 -4.69 105.19 105.62 3ngb n GLY 473 Ca -0.43 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 3ngb n GLY 473 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ngb s ASN 474 N -4.00 6.50 0.50 1.61 2.47 -1.26 -4.99 114.94 115.76 3ngb s ASN 474 Ca 0.00 0.63 0.17 0.00 0.42 0.00 0.00 52.86 54.08 3ngb s ASN 474 Cb 0.00 -2.11 1.22 0.00 -1.45 0.00 0.00 41.25 38.92 3ngb s ASN 474 CO 0.00 0.02 2.09 0.40 -3.72 0.00 0.00 177.10 175.89 3ngb h ILE 475 N 1.98 0.98 -0.73 -5.21 5.03 -1.94 -1.78 117.51 115.84 3ngb h ILE 475 Ca -0.46 -0.30 0.16 0.00 -0.12 0.00 0.00 64.86 64.14 3ngb h ILE 475 Cb 1.17 1.17 -0.04 0.00 -3.03 0.00 0.00 36.82 36.08 3ngb h ILE 475 CO 0.72 0.08 0.49 0.11 -0.68 0.00 0.00 178.15 178.88 3ngb h LYS 476 N 0.00 0.28 -0.24 2.37 1.57 -1.94 0.16 116.57 118.77 3ngb h LYS 476 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3ngb h LYS 476 Cb 0.16 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3ngb h LYS 476 CO 0.01 0.18 0.16 -0.44 -0.57 0.00 0.00 179.45 178.80 3ngb h ASP 477 N 0.29 0.27 -0.22 0.86 3.32 -1.73 -0.43 116.42 118.79 3ngb h ASP 477 Ca 0.36 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.36 3ngb h ASP 477 Cb 0.98 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 3ngb h ASP 477 CO -0.09 0.20 0.03 0.78 -1.72 0.00 0.00 179.24 178.44 3ngb h ASN 478 N 0.32 0.43 1.37 6.45 4.21 -0.81 -1.57 115.58 125.98 3ngb h ASN 478 Ca 0.09 -0.07 -0.13 0.00 1.21 0.00 0.00 56.30 57.41 3ngb h ASN 478 Cb -0.03 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.04 3ngb h ASN 478 CO -0.02 0.48 -0.64 -0.50 -1.29 0.00 0.00 177.43 175.46 3ngb h TRP 479 N 0.46 0.00 -0.38 1.19 -0.00 -1.14 -3.27 115.95 112.80 3ngb h TRP 479 Ca 0.10 0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.86 3ngb h TRP 479 Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.40 3ngb h TRP 479 CO 0.01 0.59 -0.30 0.00 -0.00 0.00 0.00 178.44 178.73 3ngb h ARG 480 N 0.00 0.84 0.00 0.49 3.08 -0.51 0.80 114.38 119.08 3ngb h ARG 480 Ca -0.02 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3ngb h ARG 480 Cb 1.46 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.50 3ngb h ARG 480 CO 0.07 1.03 0.00 -1.13 -1.07 0.00 0.00 179.97 178.87 3ngb n SER 481 N -4.08 0.00 0.00 7.04 3.41 -0.66 -0.91 113.62 118.43 3ngb n SER 481 Ca -0.01 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 3ngb n SER 481 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3ngb n SER 481 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ngb n GLU 482 N -0.99 2.09 -0.46 4.33 -0.58 -1.03 -4.75 120.64 119.25 3ngb n GLU 482 Ca 0.08 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.92 3ngb n GLU 482 Cb 0.04 -0.88 0.33 0.00 -0.57 0.00 0.00 31.44 30.36 3ngb n GLU 482 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3ngb n LEU 483 N -1.82 4.14 -0.28 -4.62 4.77 0.25 -4.50 117.00 114.93 3ngb n LEU 483 Ca 0.00 -2.08 -0.03 0.00 -0.03 0.00 0.00 56.01 53.88 3ngb n LEU 483 Cb 0.38 -0.51 0.14 0.00 -2.33 0.00 0.00 43.42 41.09 3ngb n LEU 483 CO 0.00 0.87 1.16 0.10 -1.33 0.00 0.00 177.39 178.19 3ngb h TYR 484 N 4.06 1.12 -0.78 -1.77 -0.00 -1.25 -2.77 116.97 115.57 3ngb h TYR 484 Ca 0.00 -0.03 -0.39 0.00 -0.00 0.00 0.00 58.73 58.32 3ngb h TYR 484 Cb 1.14 -0.36 -0.23 0.00 -0.00 0.00 0.00 36.73 37.29 3ngb h TYR 484 CO 0.59 0.78 0.49 0.36 -0.00 0.00 0.00 178.16 180.38 3ngb n LYS 485 N -4.34 2.19 -4.28 0.10 2.85 -1.26 -4.54 118.16 108.87 3ngb n LYS 485 Ca 0.08 -2.45 -0.18 0.00 -1.05 0.00 0.00 58.31 54.71 3ngb n LYS 485 Cb 0.10 -1.97 -0.11 0.00 -0.65 0.00 0.00 35.03 32.40 3ngb n LYS 485 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3ngb s TYR 486 N -2.66 1.51 -0.28 5.58 2.02 -1.05 -2.17 117.35 120.31 3ngb s TYR 486 Ca 0.46 -0.57 -0.22 0.00 -0.37 0.00 0.00 57.07 56.37 3ngb s TYR 486 Cb 0.38 -0.76 0.09 0.00 -0.40 0.00 0.00 41.96 41.27 3ngb s TYR 486 CO 0.09 0.21 0.80 0.21 -1.57 0.00 0.00 175.55 175.29 3ngb s LYS 487 N -3.03 0.69 -0.11 -0.62 2.20 -0.98 -4.95 119.74 112.93 3ngb s LYS 487 Ca 0.14 0.94 -0.15 0.00 -0.36 0.00 0.00 55.97 56.54 3ngb s LYS 487 Cb -0.03 0.27 -0.05 0.00 -1.51 0.00 0.00 37.83 36.52 3ngb s LYS 487 CO 0.04 -0.10 0.38 0.08 -0.36 0.00 0.00 175.35 175.39 3ngb s VAL 488 N 0.76 5.21 -0.02 4.02 1.01 -1.26 -0.48 120.40 129.65 3ngb s VAL 488 Ca -0.03 0.75 0.02 0.00 0.00 0.00 0.00 61.98 62.72 3ngb s VAL 488 Cb -0.05 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3ngb s VAL 488 CO -0.07 0.41 -0.06 0.68 0.00 0.00 0.00 175.10 176.06 3ngb s VAL 489 N 0.21 0.50 -0.15 2.92 -7.23 -0.52 -3.38 120.40 112.75 3ngb s VAL 489 Ca 0.21 -0.21 -0.15 0.00 -1.81 0.00 0.00 61.98 60.02 3ngb s VAL 489 Cb -0.14 -0.46 -0.05 0.00 0.56 0.00 0.00 36.38 36.29 3ngb s VAL 489 CO 0.08 0.17 0.34 -1.58 -0.31 0.00 0.00 175.10 173.80 3ngb s GLN 490 N 0.21 4.28 0.02 4.82 0.74 -0.43 -1.69 119.66 127.60 3ngb s GLN 490 Ca -0.02 0.19 -0.29 0.00 0.05 0.00 0.00 55.36 55.28 3ngb s GLN 490 Cb -0.07 -3.43 -0.04 0.00 1.10 0.00 0.00 33.01 30.58 3ngb s GLN 490 CO -0.00 0.21 0.95 0.42 -0.55 0.00 0.00 175.29 176.32 3ngb s ILE 491 N 0.53 4.81 0.00 -2.34 1.09 -0.80 -2.23 121.20 122.26 3ngb s ILE 491 Ca 0.19 2.01 0.00 0.00 -1.10 0.00 0.00 60.65 61.75 3ngb s ILE 491 Cb -0.13 -4.30 0.00 0.00 -1.06 0.00 0.00 42.46 36.97 3ngb s ILE 491 CO 0.05 0.20 0.43 -1.84 -0.10 0.00 0.00 174.94 173.68