#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 -2.10 -3.73 1.45 2.14 -1.26 -3.21 117.44 110.73 3ngb n TRP 45 Ca 0.00 -1.54 -0.13 0.00 2.07 0.00 0.00 57.50 57.91 3ngb n TRP 45 Cb 0.00 0.77 -0.07 0.00 -0.81 0.00 0.00 31.31 31.19 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 -2.07 0.80 0.23 -2.67 -2.85 -1.05 -4.96 119.74 107.17 3ngb s LYS 46 Ca 0.14 -0.36 -0.32 0.00 -1.00 0.00 0.00 55.97 54.43 3ngb s LYS 46 Cb -0.04 0.35 -0.12 0.00 -2.06 0.00 0.00 37.83 35.96 3ngb s LYS 46 CO 0.10 -0.25 1.69 -0.25 0.10 0.00 0.00 175.35 176.73 3ngb n ASP 47 N 0.76 3.92 -3.63 0.03 9.92 -1.26 -1.29 116.55 125.00 3ngb n ASP 47 Ca -0.19 1.08 -0.10 0.00 -0.53 0.00 0.00 54.79 55.04 3ngb n ASP 47 Cb 0.58 -1.57 -0.04 0.00 -0.64 0.00 0.00 41.12 39.45 3ngb n ASP 47 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ngb s ALA 48 N 0.88 -0.95 -0.14 2.24 0.00 -1.15 -4.84 121.76 117.80 3ngb s ALA 48 Ca 0.73 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.65 3ngb s ALA 48 Cb -0.51 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.33 3ngb s ALA 48 CO 0.36 -0.65 -0.12 -0.51 0.00 0.00 0.00 175.76 174.85 3ngb s ASP 49 N -2.80 2.60 0.25 0.00 1.01 -1.26 -4.43 116.67 112.03 3ngb s ASP 49 Ca 0.03 -0.47 0.03 0.00 0.71 0.00 0.00 52.55 52.85 3ngb s ASP 49 Cb 0.02 -1.08 -0.05 0.00 1.01 0.00 0.00 42.92 42.81 3ngb s ASP 49 CO -0.12 -0.08 0.02 0.28 0.21 0.00 0.00 175.17 175.48 3ngb s THR 50 N 1.55 0.97 -0.14 -1.27 -1.32 -1.26 -5.11 115.64 109.06 3ngb s THR 50 Ca 0.04 -2.02 -0.29 0.00 -1.21 0.00 0.00 61.69 58.21 3ngb s THR 50 Cb -0.13 -2.47 -0.02 0.00 -1.51 0.00 0.00 72.50 68.37 3ngb s THR 50 CO -0.10 -0.22 1.37 -0.89 -2.21 0.00 0.00 174.62 172.58 3ngb s THR 51 N -3.46 4.09 0.44 5.08 2.01 -1.26 -5.02 115.64 117.52 3ngb s THR 51 Ca 0.31 1.31 0.05 0.00 0.31 0.00 0.00 61.69 63.67 3ngb s THR 51 Cb 0.07 -3.85 0.01 0.00 0.01 0.00 0.00 72.50 68.73 3ngb s THR 51 CO 0.11 -0.12 0.62 -0.76 -0.69 0.00 0.00 174.62 173.77 3ngb s LEU 52 N 3.67 3.61 0.01 4.42 1.43 -1.26 -4.60 118.68 125.97 3ngb s LEU 52 Ca 0.60 -0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.58 3ngb s LEU 52 Cb -0.25 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 3ngb s LEU 52 CO 0.19 -0.80 -0.17 0.72 0.23 0.00 0.00 176.35 176.52 3ngb s PHE 53 N -2.46 1.49 0.54 0.29 -0.71 -0.92 -4.98 117.98 111.23 3ngb s PHE 53 Ca 0.53 -0.32 0.01 0.00 -1.04 0.00 0.00 56.93 56.11 3ngb s PHE 53 Cb -0.10 -0.92 0.03 0.00 -1.21 0.00 0.00 43.02 40.81 3ngb s PHE 53 CO 0.35 0.02 0.77 0.00 -1.34 0.00 0.00 175.22 175.01 3ngb s ALA 55 N -2.74 -0.66 0.11 0.00 0.00 0.71 -2.37 121.76 116.81 3ngb s ALA 55 Ca 0.56 0.20 -0.25 0.00 0.00 0.00 0.00 51.96 52.47 3ngb s ALA 55 Cb -0.10 0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.18 3ngb s ALA 55 CO 0.39 -0.25 0.69 -1.54 0.00 0.00 0.00 175.76 175.05 3ngb s SER 56 N -1.35 -0.50 -0.32 0.00 1.04 -0.77 -0.64 113.70 111.16 3ngb s SER 56 Ca -0.14 -0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.28 3ngb s SER 56 Cb -0.06 0.54 0.27 0.00 0.10 0.00 0.00 66.02 66.87 3ngb s SER 56 CO 0.04 -0.87 1.86 0.47 0.98 0.00 0.00 173.24 175.72 3ngb n ASP 57 N -0.34 5.66 -4.74 7.02 8.00 -1.26 -3.81 116.55 127.08 3ngb n ASP 57 Ca -0.14 -3.05 -0.42 0.00 0.71 0.00 0.00 54.79 51.89 3ngb n ASP 57 Cb 0.64 -0.94 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 3ngb n ASP 57 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ngb s ALA 58 N -1.94 3.63 -0.18 2.24 0.00 -1.26 -4.98 121.76 119.27 3ngb s ALA 58 Ca 0.33 1.27 -0.24 0.00 0.00 0.00 0.00 51.96 53.31 3ngb s ALA 58 Cb 0.26 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 3ngb s ALA 58 CO 0.01 -0.69 0.80 0.15 0.00 0.00 0.00 175.76 176.03 3ngb s LYS 59 N 0.11 4.28 0.35 0.00 1.02 -1.26 -4.87 119.74 119.37 3ngb s LYS 59 Ca 0.61 0.95 0.03 0.00 0.02 0.00 0.00 55.97 57.58 3ngb s LYS 59 Cb -0.40 -3.58 0.65 0.00 -0.52 0.00 0.00 37.83 33.98 3ngb s LYS 59 CO 0.39 -0.33 2.00 0.00 -0.92 0.00 0.00 175.35 176.49 3ngb h ALA 60 N 7.38 1.54 0.01 5.17 0.00 -1.94 -2.54 119.26 128.88 3ngb h ALA 60 Ca -0.29 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 3ngb h ALA 60 Cb 1.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3ngb h ALA 60 CO 0.83 0.41 -0.90 1.12 0.00 0.00 0.00 179.25 180.71 3ngb h HIS 61 N 0.80 0.22 -1.79 0.00 2.07 -1.96 -3.47 115.15 111.02 3ngb h HIS 61 Ca 0.21 -0.13 -0.64 0.00 -2.85 0.00 0.00 60.37 56.96 3ngb h HIS 61 Cb -0.05 -0.02 0.10 0.00 2.57 0.00 0.00 27.41 30.01 3ngb h HIS 61 CO 0.00 0.97 -0.08 -1.91 -3.07 0.00 0.00 177.93 173.83 3ngb n GLU 62 N -3.60 0.78 0.00 5.12 4.07 -0.96 -4.87 120.64 121.18 3ngb n GLU 62 Ca -0.03 0.27 0.13 0.00 -0.06 0.00 0.00 57.16 57.47 3ngb n GLU 62 Cb 0.83 -1.54 0.30 0.00 -0.06 0.00 0.00 31.44 30.97 3ngb n GLU 62 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 3ngb n THR 63 N 0.42 0.00 -2.14 6.31 5.66 -1.26 -4.51 114.28 118.76 3ngb n THR 63 Ca 0.14 -0.24 -0.41 0.00 -3.05 0.00 0.00 64.05 60.49 3ngb n THR 63 Cb 0.27 0.76 -0.03 0.00 -1.55 0.00 0.00 70.33 69.78 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 -2.29 4.35 0.18 1.09 -6.30 -1.26 -4.56 118.70 109.91 3ngb s GLU 64 Ca 0.27 2.16 -0.23 0.00 -2.50 0.00 0.00 54.97 54.68 3ngb s GLU 64 Cb 0.20 -3.14 0.09 0.00 0.00 0.00 0.00 34.13 31.28 3ngb s GLU 64 CO 0.45 -0.27 1.58 0.28 0.02 0.00 0.00 175.26 177.31 3ngb h VAL 65 N 3.50 0.14 -0.50 3.70 2.07 -1.06 -1.77 116.25 122.33 3ngb h VAL 65 Ca -0.46 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3ngb h VAL 65 Cb 1.22 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3ngb h VAL 65 CO 0.74 0.00 0.27 0.45 0.02 0.00 0.00 177.57 179.06 3ngb h HIS 66 N -0.19 0.70 -0.69 1.57 3.86 -1.84 -2.42 115.15 116.14 3ngb h HIS 66 Ca 0.21 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.41 3ngb h HIS 66 Cb 0.56 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 3ngb h HIS 66 CO -0.66 0.52 0.46 -0.91 0.86 0.00 0.00 177.93 178.19 3ngb h ASN 67 N 0.67 0.79 0.52 2.45 2.35 -1.74 -1.53 115.58 119.09 3ngb h ASN 67 Ca 0.18 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.84 3ngb h ASN 67 Cb 0.06 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 3ngb h ASN 67 CO -0.03 0.57 -0.34 0.58 -1.65 0.00 0.00 177.43 176.57 3ngb h VAL 68 N 0.93 1.03 0.10 2.81 2.07 -0.85 -1.20 116.25 121.14 3ngb h VAL 68 Ca 0.25 -1.24 -0.24 0.00 0.82 0.00 0.00 66.70 66.29 3ngb h VAL 68 Cb -0.10 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3ngb h VAL 68 CO -0.06 0.33 -1.18 -0.25 0.02 0.00 0.00 177.57 176.43 3ngb h TRP 69 N 0.00 0.40 -0.02 1.57 7.01 -1.14 -3.36 115.95 120.42 3ngb h TRP 69 Ca -0.00 -0.29 -0.07 0.00 2.11 0.00 0.00 58.89 60.64 3ngb h TRP 69 Cb 0.69 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.72 3ngb h TRP 69 CO 0.00 1.46 -0.33 0.00 -2.79 0.00 0.00 178.44 176.78 3ngb h ALA 70 N -0.05 1.42 -0.82 2.65 0.00 -1.28 -0.72 119.26 120.45 3ngb h ALA 70 Ca -0.25 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 54.46 3ngb h ALA 70 Cb 1.65 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.30 3ngb h ALA 70 CO 0.05 0.43 0.44 1.15 0.00 0.00 0.00 179.25 181.32 3ngb h THR 71 N 0.03 0.81 0.00 0.00 2.02 -1.35 0.33 112.91 114.75 3ngb h THR 71 Ca 0.00 -0.24 -0.20 0.00 0.77 0.00 0.00 66.41 66.75 3ngb h THR 71 Cb 0.60 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 3ngb h THR 71 CO 0.04 0.13 -1.70 1.41 0.37 0.00 0.00 175.52 175.77 3ngb n HIS 72 N -4.82 0.67 -0.08 3.16 -0.00 -1.03 -4.52 115.22 108.60 3ngb n HIS 72 Ca 0.15 0.22 -0.13 0.00 -0.00 0.00 0.00 57.72 57.96 3ngb n HIS 72 Cb 0.35 -1.01 -0.14 0.00 -0.00 0.00 0.00 29.99 29.19 3ngb n HIS 72 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ngb n ALA 73 N -2.46 1.41 -2.60 -1.41 0.00 -0.31 -5.01 120.51 110.14 3ngb n ALA 73 Ca -0.14 -1.07 -0.23 0.00 0.00 0.00 0.00 53.44 52.00 3ngb n ALA 73 Cb 0.88 -0.37 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.34 4.29 0.68 0.00 -7.23 -1.00 -4.72 120.40 110.07 3ngb s VAL 75 Ca 0.35 -1.20 -0.17 0.00 -1.81 0.00 0.00 61.98 59.15 3ngb s VAL 75 Cb -0.05 -3.20 -0.05 0.00 0.56 0.00 0.00 36.38 33.65 3ngb s VAL 75 CO 0.22 -0.13 0.63 -2.65 -0.31 0.00 0.00 175.10 172.86 3ngb n PRO 76 N -0.37 0.44 -2.52 4.82 -0.02 -1.26 -1.85 135.00 134.23 3ngb n PRO 76 Ca -0.09 0.19 -0.40 0.00 -2.02 0.00 0.00 63.50 61.18 3ngb n PRO 76 Cb 0.55 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 32.10 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 -1.81 3.58 -0.12 3.45 2.01 -1.25 -4.68 115.64 116.82 3ngb s THR 77 Ca 0.68 1.59 -0.29 0.00 0.31 0.00 0.00 61.69 63.98 3ngb s THR 77 Cb -0.38 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 3ngb s THR 77 CO 0.55 0.38 1.70 -0.62 -0.69 0.00 0.00 174.62 175.94 3ngb s ASP 78 N -0.94 6.46 0.37 3.53 3.68 -1.26 -4.89 116.67 123.62 3ngb s ASP 78 Ca 0.44 2.01 0.04 0.00 2.13 0.00 0.00 52.55 57.18 3ngb s ASP 78 Cb -0.31 -2.53 0.71 0.00 -1.45 0.00 0.00 42.92 39.34 3ngb s ASP 78 CO 0.39 -1.13 2.00 -0.65 0.13 0.00 0.00 175.17 175.91 3ngb h PRO 79 N 10.44 0.66 -3.25 4.34 0.11 -2.05 -3.35 132.00 138.90 3ngb h PRO 79 Ca -0.38 -0.06 -0.64 0.00 0.11 0.00 0.00 66.00 65.03 3ngb h PRO 79 Cb 1.18 -0.14 -0.41 0.00 0.11 0.00 0.00 31.00 31.74 3ngb h PRO 79 CO 0.97 0.48 -0.54 1.21 -0.21 0.00 0.00 178.00 179.91 3ngb s ASN 80 N -6.61 4.76 -0.04 -2.05 2.47 -1.26 -5.07 114.94 107.13 3ngb s ASN 80 Ca -0.09 -3.45 -0.29 0.00 0.42 0.00 0.00 52.86 49.44 3ngb s ASN 80 Cb 0.17 -1.68 -0.08 0.00 -1.45 0.00 0.00 41.25 38.22 3ngb s ASN 80 CO 0.75 -0.17 2.03 -2.84 -3.72 0.00 0.00 177.10 173.15 3ngb s PRO 81 N -0.91 3.84 -0.93 0.43 0.02 -1.26 -4.93 135.00 131.26 3ngb s PRO 81 Ca 0.21 2.42 -0.15 0.00 0.02 0.00 0.00 61.00 63.50 3ngb s PRO 81 Cb -0.14 -4.22 0.19 0.00 0.02 0.00 0.00 34.50 30.35 3ngb s PRO 81 CO -0.09 -1.29 1.01 -1.14 -0.33 0.00 0.00 177.00 175.16 3ngb s GLN 82 N 5.00 3.71 -0.52 5.54 2.00 -1.26 -5.00 119.66 129.13 3ngb s GLN 82 Ca 0.91 -2.29 -0.19 0.00 -2.00 0.00 0.00 55.36 51.79 3ngb s GLN 82 Cb -0.39 -4.69 0.06 0.00 0.80 0.00 0.00 33.01 28.79 3ngb s GLN 82 CO 0.39 -1.52 0.66 -2.00 -0.50 0.00 0.00 175.29 172.33 3ngb s GLU 83 N 1.12 3.13 -0.42 1.67 2.12 -1.26 -4.36 118.70 120.70 3ngb s GLU 83 Ca 0.27 -0.90 -0.14 0.00 0.36 0.00 0.00 54.97 54.56 3ngb s GLU 83 Cb -0.07 -4.12 0.04 0.00 0.26 0.00 0.00 34.13 30.24 3ngb s GLU 83 CO -0.08 -1.29 0.29 0.42 -0.54 0.00 0.00 175.26 174.06 3ngb s ILE 84 N 2.75 4.99 0.59 -3.70 1.01 0.26 -4.88 121.20 122.22 3ngb s ILE 84 Ca 0.16 -0.87 -0.20 0.00 0.00 0.00 0.00 60.65 59.73 3ngb s ILE 84 Cb -0.19 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 3ngb s ILE 84 CO 0.12 -0.37 1.31 -2.28 0.00 0.00 0.00 174.94 173.71 3ngb s HIS 85 N 1.62 2.23 -0.22 3.97 5.65 -1.26 -0.39 115.29 126.89 3ngb s HIS 85 Ca 0.04 1.44 -0.03 0.00 0.25 0.00 0.00 55.06 56.75 3ngb s HIS 85 Cb -0.21 -3.71 -0.01 0.00 -1.18 0.00 0.00 32.58 27.48 3ngb s HIS 85 CO 0.08 -2.79 -0.06 -0.51 -0.65 0.00 0.00 174.74 170.81 3ngb s LEU 86 N -3.89 2.82 0.13 8.88 1.43 -0.87 -4.82 118.68 122.34 3ngb s LEU 86 Ca 0.76 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 53.15 3ngb s LEU 86 Cb -0.38 -1.71 -0.06 0.00 0.03 0.00 0.00 46.19 44.07 3ngb s LEU 86 CO 0.42 -0.02 1.05 -1.61 0.23 0.00 0.00 176.35 176.43 3ngb s GLU 87 N 1.44 4.62 -1.28 1.70 2.02 -1.26 -4.04 118.70 121.89 3ngb s GLU 87 Ca 0.05 1.59 -0.08 0.00 0.02 0.00 0.00 54.97 56.56 3ngb s GLU 87 Cb -0.14 -3.34 -0.00 0.00 0.10 0.00 0.00 34.13 30.75 3ngb s GLU 87 CO -0.04 0.09 0.61 0.09 0.02 0.00 0.00 175.26 176.03 3ngb n ASN 88 N 2.82 -2.39 -4.19 -0.19 4.13 -1.26 -4.99 115.26 109.19 3ngb n ASN 88 Ca 0.03 -0.97 -0.25 0.00 1.68 0.00 0.00 54.58 55.07 3ngb n ASN 88 Cb 0.48 -3.38 -0.15 0.00 -1.54 0.00 0.00 39.78 35.19 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 -3.72 1.45 -0.26 2.41 0.11 -1.26 -5.12 120.40 114.02 3ngb s VAL 89 Ca 0.18 -0.90 -0.04 0.00 -2.93 0.00 0.00 61.98 58.29 3ngb s VAL 89 Cb -0.06 -1.23 0.09 0.00 -1.53 0.00 0.00 36.38 33.64 3ngb s VAL 89 CO 0.86 0.31 0.11 0.28 -3.33 0.00 0.00 175.10 173.33 3ngb s THR 90 N -0.56 0.06 0.15 5.04 -1.32 -1.26 -4.42 115.64 113.33 3ngb s THR 90 Ca 0.07 -0.67 0.05 0.00 -1.21 0.00 0.00 61.69 59.92 3ngb s THR 90 Cb -0.07 -0.96 -0.04 0.00 -1.51 0.00 0.00 72.50 69.92 3ngb s THR 90 CO 0.00 -0.59 0.09 -1.61 -2.21 0.00 0.00 174.62 170.31 3ngb s GLU 91 N 2.04 2.77 -0.09 7.08 0.41 -1.20 -4.85 118.70 124.88 3ngb s GLU 91 Ca 0.07 -0.89 -0.15 0.00 -0.41 0.00 0.00 54.97 53.59 3ngb s GLU 91 Cb -0.16 -2.59 -0.05 0.00 -1.78 0.00 0.00 34.13 29.55 3ngb s GLU 91 CO -0.27 0.49 0.37 -0.80 -0.49 0.00 0.00 175.26 174.56 3ngb s ASN 92 N -2.91 6.63 0.10 -0.19 -0.87 -1.26 -0.99 114.94 115.45 3ngb s ASN 92 Ca 0.30 0.75 0.09 0.00 -1.57 0.00 0.00 52.86 52.43 3ngb s ASN 92 Cb -0.10 -2.22 -0.04 0.00 -0.02 0.00 0.00 41.25 38.86 3ngb s ASN 92 CO 0.22 0.19 -0.21 -0.36 -2.57 0.00 0.00 177.10 174.37 3ngb s PHE 93 N -0.20 2.48 -0.44 2.20 0.08 -0.93 -4.98 117.98 116.20 3ngb s PHE 93 Ca 0.21 -0.30 0.03 0.00 0.12 0.00 0.00 56.93 57.00 3ngb s PHE 93 Cb -0.15 -1.35 0.16 0.00 -0.57 0.00 0.00 43.02 41.11 3ngb s PHE 93 CO 0.09 0.34 0.32 1.21 -0.10 0.00 0.00 175.22 177.07 3ngb s ASN 94 N -1.94 2.44 0.49 1.36 3.84 -1.25 -1.69 114.94 118.19 3ngb s ASN 94 Ca 0.16 -2.92 0.37 0.00 0.21 0.00 0.00 52.86 50.68 3ngb s ASN 94 Cb -0.10 -0.65 1.54 0.00 -0.55 0.00 0.00 41.25 41.48 3ngb s ASN 94 CO 0.08 -0.20 1.64 -0.03 -2.79 0.00 0.00 177.10 175.79 3ngb h MET 95 N 6.03 0.05 0.00 0.43 1.85 -1.24 0.23 114.93 122.29 3ngb h MET 95 Ca 0.17 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.26 3ngb h MET 95 Cb 0.91 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.92 3ngb h MET 95 CO 0.40 0.04 -0.83 -1.49 -0.40 0.00 0.00 176.91 174.63 3ngb h TRP 96 N 0.06 0.00 -1.75 1.39 4.06 -1.94 -3.35 115.95 114.41 3ngb h TRP 96 Ca 0.82 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 61.15 3ngb h TRP 96 Cb 2.89 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 30.65 3ngb h TRP 96 CO -0.00 0.00 -0.48 1.63 -3.56 0.00 0.00 178.44 176.03 3ngb n LYS 97 N -2.35 3.39 -4.00 0.49 4.76 0.79 -5.00 118.16 116.24 3ngb n LYS 97 Ca 0.02 -4.49 -0.33 0.00 -2.87 0.00 0.00 58.31 50.63 3ngb n LYS 97 Cb 0.49 -2.26 -0.14 0.00 -1.84 0.00 0.00 35.03 31.28 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 -3.22 4.69 0.60 4.39 2.47 -1.18 -4.85 114.94 117.83 3ngb s ASN 98 Ca 0.48 -1.55 0.29 0.00 0.42 0.00 0.00 52.86 52.50 3ngb s ASN 98 Cb 0.37 -1.63 1.49 0.00 -1.45 0.00 0.00 41.25 40.04 3ngb s ASN 98 CO -0.20 -0.27 1.90 -1.13 -3.72 0.00 0.00 177.10 173.68 3ngb h ASN 99 N 7.82 0.00 -0.41 -4.21 -0.00 -1.94 -0.60 115.58 116.23 3ngb h ASN 99 Ca -0.16 0.00 0.11 0.00 -0.00 0.00 0.00 56.30 56.24 3ngb h ASN 99 Cb 1.04 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.34 3ngb h ASN 99 CO 0.51 0.00 0.29 0.24 -0.00 0.00 0.00 177.43 178.47 3ngb h MET 100 N 0.00 0.07 -0.25 6.67 2.86 -1.96 -1.50 114.93 120.82 3ngb h MET 100 Ca 0.17 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.73 3ngb h MET 100 Cb 1.07 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 3ngb h MET 100 CO -0.00 0.05 -0.12 0.28 1.06 0.00 0.00 176.91 178.17 3ngb h VAL 101 N 0.07 1.30 -1.01 -2.22 2.07 -1.48 -2.84 116.25 112.14 3ngb h VAL 101 Ca 0.19 -1.20 0.05 0.00 0.82 0.00 0.00 66.70 66.57 3ngb h VAL 101 Cb 0.68 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 3ngb h VAL 101 CO -0.02 0.37 0.65 -0.33 0.02 0.00 0.00 177.57 178.27 3ngb h GLU 102 N 0.25 1.18 -0.37 1.57 4.39 -1.43 -1.67 114.58 118.51 3ngb h GLU 102 Ca 0.06 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.56 3ngb h GLU 102 Cb 0.63 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 3ngb h GLU 102 CO 0.04 0.78 -0.26 1.96 -1.16 0.00 0.00 179.01 180.37 3ngb h GLN 103 N 1.22 0.83 -0.65 2.33 4.20 -1.47 -2.48 115.11 119.09 3ngb h GLN 103 Ca 0.42 -0.40 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 3ngb h GLN 103 Cb 0.10 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3ngb h GLN 103 CO -0.15 1.04 0.24 1.98 -0.67 0.00 0.00 178.83 181.26 3ngb h MET 104 N 0.63 0.97 0.68 1.46 4.05 -1.23 -2.23 114.93 119.26 3ngb h MET 104 Ca 0.07 -0.17 -0.03 0.00 -0.28 0.00 0.00 59.70 59.30 3ngb h MET 104 Cb 0.84 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 3ngb h MET 104 CO 0.07 0.81 -0.50 1.96 0.23 0.00 0.00 176.91 179.48 3ngb h GLN 105 N 0.95 -1.09 -0.82 0.39 1.08 -1.14 -0.40 115.11 114.07 3ngb h GLN 105 Ca 0.22 0.07 0.20 0.00 -1.45 0.00 0.00 58.65 57.69 3ngb h GLN 105 Cb 0.21 0.25 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 3ngb h GLN 105 CO -0.02 -0.72 0.56 1.49 -0.95 0.00 0.00 178.83 179.19 3ngb h GLU 106 N -1.13 0.26 0.49 1.46 4.81 -1.35 0.10 114.58 119.22 3ngb h GLU 106 Ca -0.09 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 3ngb h GLU 106 Cb 0.93 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3ngb h GLU 106 CO 0.04 0.17 -0.23 -0.44 -0.73 0.00 0.00 179.01 177.81 3ngb h ASP 107 N 0.27 -0.56 -0.59 1.04 5.19 -0.84 -0.53 116.42 120.40 3ngb h ASP 107 Ca 0.41 -0.06 0.08 0.00 -0.62 0.00 0.00 57.03 56.84 3ngb h ASP 107 Cb 1.20 0.14 -0.07 0.00 0.18 0.00 0.00 39.33 40.79 3ngb h ASP 107 CO -0.11 -0.16 0.25 0.58 -3.12 0.00 0.00 179.24 176.68 3ngb h VAL 108 N -1.05 0.82 -0.63 -1.35 2.07 -0.36 0.27 116.25 116.01 3ngb h VAL 108 Ca -0.07 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.38 3ngb h VAL 108 Cb 0.58 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 3ngb h VAL 108 CO 0.11 0.08 0.29 0.40 0.02 0.00 0.00 177.57 178.48 3ngb h ILE 109 N 0.45 0.85 -0.65 4.57 2.04 -0.85 0.52 117.51 124.44 3ngb h ILE 109 Ca 0.29 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 3ngb h ILE 109 Cb 0.32 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3ngb h ILE 109 CO -0.27 0.10 0.38 -1.28 0.00 0.00 0.00 178.15 177.07 3ngb h SER 110 N 0.52 0.80 0.41 1.72 0.87 0.56 -1.16 113.55 117.27 3ngb h SER 110 Ca 0.31 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3ngb h SER 110 Cb 0.31 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 3ngb h SER 110 CO -0.25 0.64 -0.36 0.25 -0.53 0.00 0.00 176.83 176.58 3ngb h LEU 111 N 0.89 -0.95 -1.28 2.23 6.46 0.93 -2.78 115.31 120.80 3ngb h LEU 111 Ca 0.23 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 58.05 3ngb h LEU 111 Cb 0.00 0.31 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 3ngb h LEU 111 CO -0.04 -0.51 0.24 -0.50 -0.62 0.00 0.00 178.44 177.01 3ngb h TRP 112 N -0.78 0.72 -0.85 1.25 4.06 -0.87 -2.46 115.95 117.04 3ngb h TRP 112 Ca -0.04 -0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.89 3ngb h TRP 112 Cb 0.68 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.57 3ngb h TRP 112 CO -0.18 0.54 0.52 -0.44 -3.56 0.00 0.00 178.44 175.32 3ngb h ASP 113 N 0.73 1.01 -0.53 -3.49 3.45 -0.99 -2.07 116.42 114.53 3ngb h ASP 113 Ca 0.18 -0.05 -0.29 0.00 0.43 0.00 0.00 57.03 57.30 3ngb h ASP 113 Cb 0.09 -0.25 -0.17 0.00 -0.56 0.00 0.00 39.33 38.44 3ngb h ASP 113 CO -0.02 0.77 0.09 0.00 -1.57 0.00 0.00 179.24 178.50 3ngb n GLN 114 N -4.38 2.01 0.11 3.56 10.64 -1.04 -4.65 117.38 123.63 3ngb n GLN 114 Ca 0.09 -3.20 0.00 0.00 -1.83 0.00 0.00 57.00 52.07 3ngb n GLN 114 Cb 0.06 -1.93 0.00 0.00 -0.86 0.00 0.00 30.24 27.51 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 -1.11 0.17 -4.72 2.61 7.64 -0.95 -5.03 113.62 112.22 3ngb n SER 115 Ca 0.41 0.37 -0.42 0.00 1.01 0.00 0.00 58.87 60.24 3ngb n SER 115 Cb 1.17 0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 64.53 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 -6.85 4.37 -0.46 -3.43 1.43 -0.81 -5.00 118.68 107.94 3ngb s LEU 116 Ca 0.00 2.30 0.04 0.00 -1.03 0.00 0.00 54.13 55.44 3ngb s LEU 116 Cb 0.00 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.75 3ngb s LEU 116 CO 0.00 -0.62 0.19 -1.10 0.23 0.00 0.00 176.35 175.05 3ngb s GLN 117 N 1.01 1.81 0.44 1.70 -0.21 -1.26 -4.88 119.66 118.27 3ngb s GLN 117 Ca 0.63 -2.38 -0.23 0.00 0.02 0.00 0.00 55.36 53.40 3ngb s GLN 117 Cb -0.36 -3.28 -0.08 0.00 1.00 0.00 0.00 33.01 30.30 3ngb s GLN 117 CO 0.31 -1.05 1.13 -2.14 -2.12 0.00 0.00 175.29 171.42 3ngb s PRO 118 N 0.10 3.87 0.31 2.91 0.02 -1.26 -4.52 135.00 136.44 3ngb s PRO 118 Ca 0.15 1.70 0.12 0.00 0.02 0.00 0.00 61.00 63.00 3ngb s PRO 118 Cb -0.24 -2.45 0.50 0.00 0.02 0.00 0.00 34.50 32.34 3ngb s PRO 118 CO -0.03 -0.44 1.69 0.00 -0.33 0.00 0.00 177.00 177.89 3ngb s VAL 120 N -3.75 0.01 -0.37 0.00 0.11 -1.20 -3.06 120.40 112.13 3ngb s VAL 120 Ca -0.01 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 3ngb s VAL 120 Cb 0.13 -0.82 0.13 0.00 -1.53 0.00 0.00 36.38 34.28 3ngb s VAL 120 CO 0.74 -0.03 0.19 -0.75 -3.33 0.00 0.00 175.10 171.92 3ngb s LYS 121 N -0.22 0.87 -0.67 1.54 2.20 -0.68 -1.19 119.74 121.58 3ngb s LYS 121 Ca -0.04 -1.50 -0.23 0.00 -0.36 0.00 0.00 55.97 53.83 3ngb s LYS 121 Cb -0.03 -1.87 0.06 0.00 -1.51 0.00 0.00 37.83 34.48 3ngb s LYS 121 CO 0.03 -1.13 1.02 -0.51 -0.36 0.00 0.00 175.35 174.41 3ngb s LEU 122 N 0.96 4.14 -0.39 5.43 1.43 -0.38 -3.27 118.68 126.60 3ngb s LEU 122 Ca 0.15 -0.87 0.04 0.00 -1.03 0.00 0.00 54.13 52.43 3ngb s LEU 122 Cb -0.22 -2.46 0.11 0.00 0.03 0.00 0.00 46.19 43.65 3ngb s LEU 122 CO -0.07 -1.51 0.11 0.28 0.23 0.00 0.00 176.35 175.39 3ngb s THR 123 N 4.38 2.37 0.00 5.49 -1.32 -1.23 -1.27 115.64 124.05 3ngb s THR 123 Ca 0.25 -2.64 0.00 0.00 -1.21 0.00 0.00 61.69 58.08 3ngb s THR 123 Cb -0.15 -2.72 0.00 0.00 -1.51 0.00 0.00 72.50 68.12 3ngb s THR 123 CO 0.11 -0.66 0.00 0.61 -2.21 0.00 0.00 174.62 172.47 3ngb n GLY 124 N 3.90 0.05 0.15 6.08 0.00 -1.26 -3.77 105.19 110.34 3ngb n GLY 124 Ca 0.04 -1.36 0.08 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.65 3.97 -0.02 0.00 -1.26 -4.86 105.19 102.37 3ngb n GLY 198 Ca 0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.47 6.09 -0.20 1.61 0.15 -1.25 -5.12 113.70 113.52 3ngb s SER 199 Ca 0.25 0.03 -0.06 0.00 0.70 0.00 0.00 55.95 56.86 3ngb s SER 199 Cb 0.12 -1.55 0.09 0.00 -1.71 0.00 0.00 66.02 62.97 3ngb s SER 199 CO 0.19 -0.34 0.39 0.54 1.20 0.00 0.00 173.24 175.22 3ngb s VAL 200 N -2.18 -0.61 -0.21 4.45 0.11 -1.26 -3.57 120.40 117.12 3ngb s VAL 200 Ca 0.41 0.14 -0.04 0.00 -2.93 0.00 0.00 61.98 59.57 3ngb s VAL 200 Cb -0.09 -0.66 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 3ngb s VAL 200 CO 0.32 0.04 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.47 3ngb s ILE 201 N 2.58 3.53 -0.17 7.04 1.09 -1.20 -4.98 121.20 129.09 3ngb s ILE 201 Ca 0.01 -0.45 -0.01 0.00 -1.10 0.00 0.00 60.65 59.10 3ngb s ILE 201 Cb -0.13 -2.60 -0.01 0.00 -1.06 0.00 0.00 42.46 38.67 3ngb s ILE 201 CO -0.13 0.43 -0.10 -0.54 -0.10 0.00 0.00 174.94 174.50 3ngb s LYS 202 N 1.28 3.36 0.10 2.79 1.02 -1.26 -1.69 119.74 125.34 3ngb s LYS 202 Ca 0.03 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 55.38 3ngb s LYS 202 Cb -0.14 -2.77 -0.01 0.00 -0.52 0.00 0.00 37.83 34.39 3ngb s LYS 202 CO -0.01 0.03 0.09 0.00 -0.92 0.00 0.00 175.35 174.54 3ngb n GLN 203 N 4.07 0.14 -2.28 1.68 10.64 -1.17 -5.04 117.38 125.42 3ngb n GLN 203 Ca -0.18 -1.03 -0.38 0.00 -1.83 0.00 0.00 57.00 53.58 3ngb n GLN 203 Cb 0.52 0.84 -0.02 0.00 -0.86 0.00 0.00 30.24 30.72 3ngb n GLN 203 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3ngb s ALA 204 N -2.42 3.06 -0.52 2.61 0.00 -1.26 -4.63 121.76 118.60 3ngb s ALA 204 Ca 0.12 0.95 0.06 0.00 0.00 0.00 0.00 51.96 53.09 3ngb s ALA 204 Cb 0.01 -3.38 0.36 0.00 0.00 0.00 0.00 23.12 20.11 3ngb s ALA 204 CO 0.09 -0.59 0.95 0.00 0.00 0.00 0.00 175.76 176.21 3ngb s PRO 206 N -3.35 4.65 0.64 0.00 0.02 -1.26 -4.77 135.00 130.92 3ngb s PRO 206 Ca 0.47 1.49 -0.17 0.00 0.02 0.00 0.00 61.00 62.81 3ngb s PRO 206 Cb 0.32 -3.02 -0.01 0.00 0.02 0.00 0.00 34.50 31.80 3ngb s PRO 206 CO -0.14 0.31 1.21 0.15 -0.33 0.00 0.00 177.00 178.20 3ngb s LYS 207 N -1.67 2.72 0.12 5.54 3.01 -1.26 -4.80 119.74 123.40 3ngb s LYS 207 Ca 0.47 1.79 0.04 0.00 -1.01 0.00 0.00 55.97 57.25 3ngb s LYS 207 Cb -0.24 -1.90 -0.04 0.00 -1.01 0.00 0.00 37.83 34.64 3ngb s LYS 207 CO 0.30 -1.39 -0.10 0.96 0.51 0.00 0.00 175.35 175.63 3ngb s ILE 208 N -1.74 1.03 -0.27 2.17 -4.36 -1.26 -5.12 121.20 111.65 3ngb s ILE 208 Ca 0.76 -1.84 -0.24 0.00 -0.26 0.00 0.00 60.65 59.07 3ngb s ILE 208 Cb -0.30 -1.60 -0.00 0.00 1.25 0.00 0.00 42.46 41.81 3ngb s ILE 208 CO 0.37 -0.66 0.82 -0.55 0.24 0.00 0.00 174.94 175.16 3ngb s SER 209 N -2.80 6.76 -0.20 4.36 0.15 -1.26 -4.62 113.70 116.10 3ngb s SER 209 Ca 0.11 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.64 3ngb s SER 209 Cb -0.00 -2.43 0.05 0.00 -1.71 0.00 0.00 66.02 61.93 3ngb s SER 209 CO -0.00 -0.57 -0.06 0.12 1.20 0.00 0.00 173.24 173.93 3ngb s PHE 210 N 2.92 2.09 -0.30 3.44 5.36 -1.26 -0.35 117.98 129.87 3ngb s PHE 210 Ca 0.34 -1.43 -0.02 0.00 -0.96 0.00 0.00 56.93 54.87 3ngb s PHE 210 Cb -0.15 -1.47 0.19 0.00 -0.34 0.00 0.00 43.02 41.25 3ngb s PHE 210 CO 0.10 -0.70 0.67 0.34 -1.46 0.00 0.00 175.22 174.17 3ngb s ASP 211 N 1.50 -1.28 0.21 6.13 3.68 -1.26 -3.72 116.67 121.93 3ngb s ASP 211 Ca -0.02 0.65 -0.32 0.00 2.13 0.00 0.00 52.55 54.99 3ngb s ASP 211 Cb -0.17 2.01 -0.12 0.00 -1.45 0.00 0.00 42.92 43.19 3ngb s ASP 211 CO -0.07 -0.24 1.69 -2.65 0.13 0.00 0.00 175.17 174.03 3ngb n PRO 212 N 5.42 2.68 -4.02 4.34 -0.02 -1.26 -4.70 135.00 137.44 3ngb n PRO 212 Ca -0.00 0.96 -0.27 0.00 -2.02 0.00 0.00 63.50 62.17 3ngb n PRO 212 Cb 0.52 -2.79 -0.05 0.00 -0.02 0.00 0.00 33.50 31.16 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 0.99 4.83 0.24 4.25 -4.36 -1.26 -4.94 121.20 120.95 3ngb s ILE 213 Ca 0.74 -0.88 -0.31 0.00 -0.26 0.00 0.00 60.65 59.95 3ngb s ILE 213 Cb -0.53 -3.46 -0.11 0.00 1.25 0.00 0.00 42.46 39.62 3ngb s ILE 213 CO 0.35 -0.07 1.56 -2.84 0.24 0.00 0.00 174.94 174.18 3ngb s PRO 214 N -3.05 4.19 -0.10 0.37 0.02 -1.26 -4.41 135.00 130.76 3ngb s PRO 214 Ca 0.32 2.45 0.04 0.00 0.02 0.00 0.00 61.00 63.83 3ngb s PRO 214 Cb -0.11 -3.08 -0.00 0.00 0.02 0.00 0.00 34.50 31.33 3ngb s PRO 214 CO 0.25 -0.58 -0.23 0.42 -0.33 0.00 0.00 177.00 176.53 3ngb s ILE 215 N 0.40 2.14 0.02 2.83 1.09 0.14 -4.51 121.20 123.31 3ngb s ILE 215 Ca 0.65 -0.99 0.01 0.00 -1.10 0.00 0.00 60.65 59.22 3ngb s ILE 215 Cb -0.45 -1.82 -0.04 0.00 -1.06 0.00 0.00 42.46 39.09 3ngb s ILE 215 CO 0.41 0.56 0.06 -1.00 -0.10 0.00 0.00 174.94 174.87 3ngb s HIS 216 N 0.32 3.21 -0.18 3.97 3.76 0.19 -1.08 115.29 125.47 3ngb s HIS 216 Ca -0.18 0.14 -0.01 0.00 -0.15 0.00 0.00 55.06 54.86 3ngb s HIS 216 Cb -0.18 -1.69 -0.00 0.00 1.11 0.00 0.00 32.58 31.82 3ngb s HIS 216 CO 0.09 0.52 -0.12 0.71 -0.85 0.00 0.00 174.74 175.09 3ngb s TYR 217 N -1.22 2.86 0.35 1.40 2.02 -1.26 -0.21 117.35 121.29 3ngb s TYR 217 Ca 0.24 -1.09 0.09 0.00 -0.37 0.00 0.00 57.07 55.93 3ngb s TYR 217 Cb -0.12 -1.98 -0.05 0.00 -0.40 0.00 0.00 41.96 39.41 3ngb s TYR 217 CO 0.15 -0.55 0.05 0.00 -1.57 0.00 0.00 175.55 173.63 3ngb s THR 219 N -2.53 3.91 0.56 0.00 -4.23 -1.14 -2.15 115.64 110.06 3ngb s THR 219 Ca 0.36 -0.93 -0.09 0.00 -1.18 0.00 0.00 61.69 59.84 3ngb s THR 219 Cb 0.01 -2.82 0.14 0.00 1.34 0.00 0.00 72.50 71.17 3ngb s THR 219 CO 0.20 0.20 0.50 -2.65 -0.54 0.00 0.00 174.62 172.33 3ngb n PRO 220 N 0.86 -1.99 -2.65 3.99 -0.02 -1.26 -4.94 135.00 128.98 3ngb n PRO 220 Ca -0.12 -0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 60.14 3ngb n PRO 220 Cb 0.52 -0.75 -0.03 0.00 -0.02 0.00 0.00 33.50 33.22 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 -3.00 3.22 0.00 3.55 0.00 -1.26 -3.30 121.76 120.98 3ngb s ALA 221 Ca 0.32 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.88 3ngb s ALA 221 Cb -0.03 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3ngb s ALA 221 CO 0.25 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.12 3ngb n GLY 222 N 2.98 2.53 3.70 0.00 0.00 -1.26 -5.07 105.19 108.07 3ngb n GLY 222 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.42 2.28 0.04 1.61 2.02 -1.21 -1.38 117.35 118.30 3ngb s TYR 223 Ca 0.00 -0.75 -0.27 0.00 -0.37 0.00 0.00 57.07 55.68 3ngb s TYR 223 Cb 0.00 -1.78 0.09 0.00 -0.40 0.00 0.00 41.96 39.87 3ngb s TYR 223 CO 0.00 0.27 0.74 0.54 -1.57 0.00 0.00 175.55 175.53 3ngb s VAL 224 N -2.74 0.00 -0.23 0.71 0.11 -0.65 -4.77 120.40 112.83 3ngb s VAL 224 Ca 0.27 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.24 3ngb s VAL 224 Cb 0.05 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 3ngb s VAL 224 CO 0.15 0.00 0.11 -0.63 -3.33 0.00 0.00 175.10 171.39 3ngb s ILE 225 N -2.87 4.86 -0.30 7.04 1.01 -1.04 -1.83 121.20 128.06 3ngb s ILE 225 Ca -0.00 0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.48 3ngb s ILE 225 Cb -0.01 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 3ngb s ILE 225 CO -0.06 0.37 0.50 -0.76 0.00 0.00 0.00 174.94 174.98 3ngb s LEU 226 N 1.10 4.18 -0.22 2.97 1.43 0.16 -1.42 118.68 126.87 3ngb s LEU 226 Ca 0.05 0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 53.30 3ngb s LEU 226 Cb -0.14 -2.60 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 3ngb s LEU 226 CO 0.04 -0.37 0.14 -0.75 0.23 0.00 0.00 176.35 175.64 3ngb s LYS 227 N 2.33 4.10 -0.04 1.70 2.20 -0.68 -2.52 119.74 126.82 3ngb s LYS 227 Ca 0.19 -0.26 -0.26 0.00 -0.36 0.00 0.00 55.97 55.28 3ngb s LYS 227 Cb -0.16 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 3ngb s LYS 227 CO 0.11 0.16 0.80 0.00 -0.36 0.00 0.00 175.35 176.06 3ngb n ASN 229 N 3.77 1.98 -4.74 0.00 3.02 0.46 -4.92 115.26 114.83 3ngb n ASN 229 Ca 0.01 -1.49 -0.42 0.00 -0.03 0.00 0.00 54.58 52.65 3ngb n ASN 229 Cb 0.51 0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.77 3ngb n ASN 229 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3ngb n ASP 230 N 0.57 3.38 -0.04 6.41 8.00 -1.25 -4.92 116.55 128.69 3ngb n ASP 230 Ca 0.07 1.20 -0.16 0.00 0.71 0.00 0.00 54.79 56.62 3ngb n ASP 230 Cb 0.32 -1.56 -0.08 0.00 -0.02 0.00 0.00 41.12 39.79 3ngb n ASP 230 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3ngb h LYS 231 N 3.18 0.56 -1.03 -1.24 1.79 -1.98 -3.31 116.57 114.55 3ngb h LYS 231 Ca -0.48 -0.43 -0.61 0.00 -2.18 0.00 0.00 60.65 56.95 3ngb h LYS 231 Cb 1.26 0.08 -0.37 0.00 -1.58 0.00 0.00 32.23 31.61 3ngb h LYS 231 CO 0.67 1.05 -0.12 0.09 -1.08 0.00 0.00 179.45 180.06 3ngb n ASN 232 N -4.23 5.99 -4.68 0.86 3.02 -1.26 -4.05 115.26 110.92 3ngb n ASN 232 Ca -0.07 -3.77 -0.43 0.00 -0.03 0.00 0.00 54.58 50.29 3ngb n ASN 232 Cb 0.58 -0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 39.11 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 -3.70 3.09 -0.54 3.10 5.36 -1.25 -4.92 117.98 119.11 3ngb s PHE 233 Ca 0.55 1.16 0.05 0.00 -0.96 0.00 0.00 56.93 57.73 3ngb s PHE 233 Cb 0.44 -3.44 0.34 0.00 -0.34 0.00 0.00 43.02 40.03 3ngb s PHE 233 CO -0.04 -1.40 1.15 0.27 -1.46 0.00 0.00 175.22 173.73 3ngb n ASN 234 N 5.68 3.16 0.00 6.13 0.23 -1.26 -4.88 115.26 124.32 3ngb n ASN 234 Ca 0.12 -2.49 0.00 0.00 -0.53 0.00 0.00 54.58 51.68 3ngb n ASN 234 Cb 0.46 -0.60 0.00 0.00 -2.08 0.00 0.00 39.78 37.56 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 0.14 2.80 3.09 4.83 0.00 -1.26 -4.52 105.19 110.26 3ngb n GLY 235 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.35 1.01 0.00 2.61 -4.23 -1.26 -0.88 115.64 111.55 3ngb s THR 236 Ca 0.00 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 3ngb s THR 236 Cb 0.00 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 72.99 3ngb s THR 236 CO 0.00 0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.97 3ngb n GLY 237 N 2.75 0.91 3.69 3.99 0.00 -0.68 -4.96 105.19 110.89 3ngb n GLY 237 Ca -0.14 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.29 3ngb n GLY 237 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ngb n PRO 238 N -0.69 -0.01 -3.59 1.61 -0.02 -1.26 -2.19 135.00 128.85 3ngb n PRO 238 Ca 0.00 0.08 -0.25 0.00 -2.02 0.00 0.00 63.50 61.31 3ngb n PRO 238 Cb 0.00 -2.42 -0.16 0.00 -0.02 0.00 0.00 33.50 30.89 3ngb n PRO 238 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ngb h LYS 240 N 8.41 0.00 -3.57 0.00 1.57 -1.87 -3.17 116.57 117.94 3ngb h LYS 240 Ca -0.15 0.00 -0.74 0.00 -1.87 0.00 0.00 60.65 57.89 3ngb h LYS 240 Cb 1.15 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.14 3ngb h LYS 240 CO 0.29 0.51 -0.06 1.21 -0.57 0.00 0.00 179.45 180.84 3ngb s ASN 241 N -6.53 6.13 -0.14 0.86 3.84 -1.26 -4.51 114.94 113.33 3ngb s ASN 241 Ca 0.01 -3.16 -0.02 0.00 0.21 0.00 0.00 52.86 49.90 3ngb s ASN 241 Cb 0.10 -2.01 -0.02 0.00 -0.55 0.00 0.00 41.25 38.77 3ngb s ASN 241 CO 0.73 -0.36 -0.08 -0.69 -2.79 0.00 0.00 177.10 173.91 3ngb s VAL 242 N -0.53 3.51 0.46 -5.21 1.01 -1.26 -0.40 120.40 117.98 3ngb s VAL 242 Ca 0.22 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.73 3ngb s VAL 242 Cb -0.13 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.78 3ngb s VAL 242 CO -0.08 0.51 0.26 -1.54 0.00 0.00 0.00 175.10 174.25 3ngb n SER 243 N 3.49 2.70 -3.80 3.32 3.41 -0.03 -2.05 113.62 120.67 3ngb n SER 243 Ca -0.18 -2.71 -0.26 0.00 -0.26 0.00 0.00 58.87 55.46 3ngb n SER 243 Cb 0.53 0.06 -0.17 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 -3.67 2.46 0.27 4.04 0.15 0.47 -1.69 113.70 115.72 3ngb s SER 244 Ca 0.19 -0.53 0.12 0.00 0.70 0.00 0.00 55.95 56.43 3ngb s SER 244 Cb -0.02 -0.65 -0.05 0.00 -1.71 0.00 0.00 66.02 63.59 3ngb s SER 244 CO 0.12 -0.23 -0.19 0.68 1.20 0.00 0.00 173.24 174.83 3ngb s VAL 245 N 1.82 2.55 -0.27 4.45 -7.23 -0.51 -0.57 120.40 120.64 3ngb s VAL 245 Ca 0.02 -2.32 0.22 0.00 -1.81 0.00 0.00 61.98 58.09 3ngb s VAL 245 Cb -0.15 -2.33 -0.15 0.00 0.56 0.00 0.00 36.38 34.31 3ngb s VAL 245 CO -0.07 -0.36 0.84 0.00 -0.31 0.00 0.00 175.10 175.20 3ngb n GLN 246 N -0.53 0.54 -3.86 4.82 3.00 -1.26 -2.51 117.38 117.57 3ngb n GLN 246 Ca -0.06 -0.02 -0.10 0.00 -0.01 0.00 0.00 57.00 56.81 3ngb n GLN 246 Cb 0.59 -1.66 -0.08 0.00 0.00 0.00 0.00 30.24 29.09 3ngb n GLN 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ngb s THR 248 N -2.92 2.01 0.89 0.00 -4.23 -0.79 -4.95 115.64 105.65 3ngb s THR 248 Ca -0.02 -0.16 -0.12 0.00 -1.18 0.00 0.00 61.69 60.20 3ngb s THR 248 Cb 0.01 -2.85 0.17 0.00 1.34 0.00 0.00 72.50 71.16 3ngb s THR 248 CO -0.06 0.00 1.23 -1.38 -0.54 0.00 0.00 174.62 173.87 3ngb s HIS 249 N -3.73 1.78 -0.70 3.99 -3.43 -1.26 -4.55 115.29 107.39 3ngb s HIS 249 Ca 0.73 0.24 -0.26 0.00 -0.80 0.00 0.00 55.06 54.97 3ngb s HIS 249 Cb -0.03 -3.79 -0.01 0.00 -1.43 0.00 0.00 32.58 27.32 3ngb s HIS 249 CO 0.51 -2.32 1.73 0.20 -2.00 0.00 0.00 174.74 172.86 3ngb s GLY 250 N -4.81 0.39 -0.21 -1.38 0.00 -1.26 -4.32 107.32 95.73 3ngb s GLY 250 Ca 0.71 -1.01 -0.17 0.00 0.00 0.00 0.00 44.72 44.25 3ngb s GLY 250 CO 0.50 3.23 0.45 -0.42 0.00 0.00 0.00 173.10 176.86 3ngb s ILE 251 N 8.30 5.16 -0.19 0.90 1.01 -0.24 -4.63 121.20 131.50 3ngb s ILE 251 Ca 0.60 0.80 -0.21 0.00 0.00 0.00 0.00 60.65 61.83 3ngb s ILE 251 Cb -0.10 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 3ngb s ILE 251 CO 0.15 0.21 0.66 -0.54 0.00 0.00 0.00 174.94 175.42 3ngb s LYS 252 N 1.50 4.23 -0.97 2.79 1.02 -1.26 0.24 119.74 127.28 3ngb s LYS 252 Ca 0.21 0.67 -0.08 0.00 0.02 0.00 0.00 55.97 56.79 3ngb s LYS 252 Cb -0.15 -3.57 -0.06 0.00 -0.52 0.00 0.00 37.83 33.52 3ngb s LYS 252 CO 0.09 -0.25 2.16 -2.30 -0.92 0.00 0.00 175.35 174.13 3ngb n PRO 253 N 5.05 2.16 -3.12 -1.68 -0.02 -1.26 -4.88 135.00 131.26 3ngb n PRO 253 Ca -0.01 -1.57 -0.44 0.00 -2.02 0.00 0.00 63.50 59.46 3ngb n PRO 253 Cb 0.50 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.37 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 3.48 4.82 0.17 -1.45 1.01 -1.26 -4.97 120.40 122.20 3ngb s VAL 254 Ca 0.44 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 3ngb s VAL 254 Cb 0.11 -4.32 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 3ngb s VAL 254 CO -0.02 -0.82 1.01 0.68 0.00 0.00 0.00 175.10 175.95 3ngb s VAL 255 N 2.78 4.12 0.09 2.92 -7.23 -1.26 -4.85 120.40 116.97 3ngb s VAL 255 Ca 0.17 1.88 -0.27 0.00 -1.81 0.00 0.00 61.98 61.95 3ngb s VAL 255 Cb -0.18 -4.20 0.08 0.00 0.56 0.00 0.00 36.38 32.64 3ngb s VAL 255 CO 0.13 0.34 1.03 -0.94 -0.31 0.00 0.00 175.10 175.36 3ngb s SER 256 N -0.34 -0.17 0.08 4.85 1.04 -1.26 -4.30 113.70 113.59 3ngb s SER 256 Ca 0.46 -0.29 0.05 0.00 0.48 0.00 0.00 55.95 56.66 3ngb s SER 256 Cb -0.27 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 3ngb s SER 256 CO 0.33 -0.72 -0.14 0.42 0.98 0.00 0.00 173.24 174.10 3ngb s THR 257 N -3.06 1.15 0.00 2.02 -4.23 -0.86 -4.85 115.64 105.81 3ngb s THR 257 Ca 0.12 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 3ngb s THR 257 Cb 0.00 -1.12 0.00 0.00 1.34 0.00 0.00 72.50 72.72 3ngb s THR 257 CO -0.00 -0.23 0.00 0.00 -0.54 0.00 0.00 174.62 173.85 3ngb n GLN 258 N 1.23 0.00 -4.51 3.99 6.02 -0.84 -4.04 117.38 119.23 3ngb n GLN 258 Ca -0.21 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.45 3ngb n GLN 258 Cb 0.54 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.68 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 3.15 -0.20 1.08 1.02 -1.26 -0.74 118.68 121.72 3ngb s LEU 259 Ca 0.00 -0.14 -0.20 0.00 0.02 0.00 0.00 54.13 53.82 3ngb s LEU 259 Cb 0.00 -1.74 -0.03 0.00 0.02 0.00 0.00 46.19 44.45 3ngb s LEU 259 CO 0.00 0.21 0.59 -0.76 0.02 0.00 0.00 176.35 176.41 3ngb s LEU 260 N 0.10 4.14 0.04 1.79 1.43 0.10 -4.77 118.68 121.51 3ngb s LEU 260 Ca -0.02 0.76 0.06 0.00 -1.03 0.00 0.00 54.13 53.90 3ngb s LEU 260 Cb -0.14 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 3ngb s LEU 260 CO 0.03 -0.25 -0.12 -0.76 0.23 0.00 0.00 176.35 175.49 3ngb s LEU 261 N 1.86 2.93 -1.50 1.79 1.43 -1.26 -1.41 118.68 122.52 3ngb s LEU 261 Ca 0.27 -0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 3ngb s LEU 261 Cb -0.16 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.37 3ngb s LEU 261 CO 0.10 0.24 0.42 0.59 0.23 0.00 0.00 176.35 177.94 3ngb n ASN 262 N 1.33 -5.42 -1.32 2.29 3.02 0.41 -4.87 115.26 110.69 3ngb n ASN 262 Ca -0.15 -0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.19 3ngb n ASN 262 Cb 0.52 -4.44 0.00 0.00 -0.61 0.00 0.00 39.78 35.26 3ngb n ASN 262 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ngb n GLY 263 N -1.30 1.90 3.90 7.41 0.00 -1.26 -4.69 105.19 111.15 3ngb n GLY 263 Ca -0.12 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.00 6.49 0.40 1.61 1.04 -1.26 -4.90 113.70 116.08 3ngb s SER 264 Ca 0.00 0.58 -0.04 0.00 0.48 0.00 0.00 55.95 56.97 3ngb s SER 264 Cb 0.00 -2.09 -0.04 0.00 0.10 0.00 0.00 66.02 63.99 3ngb s SER 264 CO 0.00 0.07 0.67 -0.76 0.98 0.00 0.00 173.24 174.20 3ngb s LEU 265 N -2.58 3.84 0.24 2.42 1.43 -1.26 -4.89 118.68 117.87 3ngb s LEU 265 Ca 0.40 0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 53.96 3ngb s LEU 265 Cb -0.12 -3.66 -0.09 0.00 0.03 0.00 0.00 46.19 42.35 3ngb s LEU 265 CO 0.24 -0.41 1.27 0.00 0.23 0.00 0.00 176.35 177.68 3ngb s ALA 266 N -2.47 3.49 0.00 4.21 0.00 0.32 -4.96 121.76 122.36 3ngb s ALA 266 Ca 0.45 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.50 3ngb s ALA 266 Cb -0.10 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3ngb s ALA 266 CO 0.38 -0.49 0.62 0.39 0.00 0.00 0.00 175.76 176.66 3ngb n GLU 267 N 2.03 0.00 -0.07 0.00 -0.58 -1.26 -4.47 120.64 116.30 3ngb n GLU 267 Ca 0.04 0.25 -0.05 0.00 -0.42 0.00 0.00 57.16 56.97 3ngb n GLU 267 Cb 0.43 -1.12 -0.02 0.00 -0.57 0.00 0.00 31.44 30.16 3ngb n GLU 267 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3ngb h GLU 268 N 0.00 0.00 -4.47 3.49 4.81 -1.95 -3.49 114.58 112.97 3ngb h GLU 268 Ca 0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 3ngb h GLU 268 Cb 0.00 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.24 3ngb h GLU 268 CO 0.00 0.14 -0.52 -1.83 -0.73 0.00 0.00 179.01 176.07 3ngb s GLU 269 N -1.98 1.32 0.21 1.92 -1.05 -1.26 -4.98 118.70 112.88 3ngb s GLU 269 Ca -0.10 -1.61 -0.32 0.00 -0.15 0.00 0.00 54.97 52.78 3ngb s GLU 269 Cb 0.01 0.31 -0.12 0.00 -0.44 0.00 0.00 34.13 33.89 3ngb s GLU 269 CO 0.19 -0.46 1.69 -0.89 0.95 0.00 0.00 175.26 176.74 3ngb n ILE 270 N -0.32 0.12 -4.26 1.83 5.41 -1.26 -4.67 119.36 116.20 3ngb n ILE 270 Ca 0.02 -0.03 -0.32 0.00 1.00 0.00 0.00 62.75 63.42 3ngb n ILE 270 Cb 0.65 -1.93 -0.16 0.00 -0.71 0.00 0.00 39.64 37.49 3ngb n ILE 270 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3ngb s ILE 271 N 1.00 1.97 -0.38 1.39 1.01 -0.77 -4.97 121.20 120.45 3ngb s ILE 271 Ca 0.74 -0.90 -0.24 0.00 0.00 0.00 0.00 60.65 60.26 3ngb s ILE 271 Cb -0.53 -1.78 0.01 0.00 0.01 0.00 0.00 42.46 40.18 3ngb s ILE 271 CO 0.35 0.53 0.82 -0.63 0.00 0.00 0.00 174.94 176.00 3ngb s ILE 272 N 1.18 4.68 -0.13 2.92 -1.09 -1.26 -1.35 121.20 126.15 3ngb s ILE 272 Ca 0.01 0.88 -0.04 0.00 -2.23 0.00 0.00 60.65 59.27 3ngb s ILE 272 Cb -0.14 -4.26 -0.03 0.00 -1.58 0.00 0.00 42.46 36.45 3ngb s ILE 272 CO -0.09 -0.51 0.01 -0.13 -1.23 0.00 0.00 174.94 172.98 3ngb s ARG 273 N 3.23 3.48 -0.21 2.79 0.52 -0.20 -4.94 118.95 123.63 3ngb s ARG 273 Ca 0.33 -0.42 -0.29 0.00 -0.52 0.00 0.00 55.73 54.83 3ngb s ARG 273 Cb -0.13 -2.95 0.14 0.00 0.52 0.00 0.00 34.95 32.53 3ngb s ARG 273 CO 0.18 0.44 1.06 0.45 0.02 0.00 0.00 175.30 177.46 3ngb s SER 274 N -0.16 -0.34 0.51 0.23 0.15 -1.26 -0.71 113.70 112.11 3ngb s SER 274 Ca 0.05 0.46 0.30 0.00 0.70 0.00 0.00 55.95 57.46 3ngb s SER 274 Cb -0.13 0.40 1.16 0.00 -1.71 0.00 0.00 66.02 65.75 3ngb s SER 274 CO 0.02 -0.25 1.91 -0.08 1.20 0.00 0.00 173.24 176.04 3ngb h GLU 275 N 2.93 0.00 -0.21 5.44 4.81 -1.90 -3.42 114.58 122.23 3ngb h GLU 275 Ca -0.20 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.26 3ngb h GLU 275 Cb 1.17 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.36 3ngb h GLU 275 CO 0.25 0.08 0.03 -0.80 -0.73 0.00 0.00 179.01 177.84 3ngb s ASN 276 N -5.90 -0.33 0.50 1.04 0.01 -1.26 -5.04 114.94 103.96 3ngb s ASN 276 Ca 0.01 0.06 0.15 0.00 -0.71 0.00 0.00 52.86 52.38 3ngb s ASN 276 Cb 0.09 1.22 1.20 0.00 0.41 0.00 0.00 41.25 44.17 3ngb s ASN 276 CO 0.58 -0.06 2.11 -0.07 -1.51 0.00 0.00 177.10 178.16 3ngb h LEU 277 N 7.32 0.01 -1.22 0.60 3.38 -1.93 -0.64 115.31 122.83 3ngb h LEU 277 Ca -0.10 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3ngb h LEU 277 Cb 1.17 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 3ngb h LEU 277 CO -0.12 0.05 -0.08 0.71 0.09 0.00 0.00 178.44 179.09 3ngb h THR 278 N 0.01 0.19 -3.38 0.22 1.35 -1.97 -3.40 112.91 105.93 3ngb h THR 278 Ca 0.00 -0.76 -0.67 0.00 -0.55 0.00 0.00 66.41 64.44 3ngb h THR 278 Cb 0.07 1.64 -0.17 0.00 -1.73 0.00 0.00 68.15 67.96 3ngb h THR 278 CO 0.00 0.07 0.09 0.21 -0.25 0.00 0.00 175.52 175.65 3ngb s ASN 279 N -5.90 6.26 0.00 5.36 3.84 -0.25 -4.93 114.94 119.32 3ngb s ASN 279 Ca 0.01 -0.67 0.13 0.00 0.21 0.00 0.00 52.86 52.54 3ngb s ASN 279 Cb 0.09 -2.30 0.54 0.00 -0.55 0.00 0.00 41.25 39.03 3ngb s ASN 279 CO 0.59 -0.86 1.40 -0.46 -2.79 0.00 0.00 177.10 174.98 3ngb n ASN 280 N 6.25 0.00 0.02 -4.21 0.23 -1.26 -1.79 115.26 114.50 3ngb n ASN 280 Ca -0.04 0.49 0.12 0.00 -0.53 0.00 0.00 54.58 54.62 3ngb n ASN 280 Cb 0.46 -0.49 0.27 0.00 -2.08 0.00 0.00 39.78 37.94 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 -1.49 3.25 -2.59 -2.53 0.00 -1.26 -4.45 120.51 111.43 3ngb n ALA 281 Ca 0.03 -0.29 -0.41 0.00 0.00 0.00 0.00 53.44 52.77 3ngb n ALA 281 Cb 0.15 -1.17 -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 -3.04 3.84 0.79 0.00 -0.14 -0.74 -5.05 119.74 115.41 3ngb s LYS 282 Ca 0.10 0.21 -0.14 0.00 -1.36 0.00 0.00 55.97 54.78 3ngb s LYS 282 Cb 0.17 -3.75 0.08 0.00 -1.68 0.00 0.00 37.83 32.65 3ngb s LYS 282 CO 0.69 -0.59 1.21 0.95 -0.76 0.00 0.00 175.35 176.84 3ngb s THR 283 N 2.58 2.08 -0.11 2.17 -4.23 -1.26 -4.86 115.64 112.01 3ngb s THR 283 Ca 0.24 0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.80 3ngb s THR 283 Cb -0.15 -2.47 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 3ngb s THR 283 CO 0.12 -0.03 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.40 3ngb s ILE 284 N -2.12 2.91 -0.33 2.99 1.01 -0.00 -4.55 121.20 121.10 3ngb s ILE 284 Ca 0.73 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 3ngb s ILE 284 Cb -0.29 -2.20 0.05 0.00 0.01 0.00 0.00 42.46 40.03 3ngb s ILE 284 CO 0.50 0.54 0.08 -0.63 0.00 0.00 0.00 174.94 175.42 3ngb s ILE 285 N 0.21 3.52 -0.18 2.92 1.01 0.11 0.00 121.20 128.79 3ngb s ILE 285 Ca -0.09 -1.26 -0.24 0.00 0.00 0.00 0.00 60.65 59.06 3ngb s ILE 285 Cb -0.15 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 3ngb s ILE 285 CO 0.05 -0.18 0.77 -0.69 0.00 0.00 0.00 174.94 174.89 3ngb s VAL 286 N 1.34 4.92 -0.38 2.92 1.01 0.11 -1.03 120.40 129.30 3ngb s VAL 286 Ca -0.02 1.50 -0.09 0.00 0.00 0.00 0.00 61.98 63.37 3ngb s VAL 286 Cb -0.20 -4.08 0.05 0.00 0.00 0.00 0.00 36.38 32.15 3ngb s VAL 286 CO 0.01 0.05 0.19 -2.28 0.00 0.00 0.00 175.10 173.08 3ngb s HIS 287 N 2.06 3.29 0.34 5.22 2.46 -0.45 -1.08 115.29 127.13 3ngb s HIS 287 Ca 0.35 -1.34 -0.27 0.00 0.47 0.00 0.00 55.06 54.28 3ngb s HIS 287 Cb -0.16 -2.57 -0.09 0.00 -0.13 0.00 0.00 32.58 29.62 3ngb s HIS 287 CO 0.12 -0.75 1.04 -0.51 -2.47 0.00 0.00 174.74 172.16 3ngb s LEU 288 N 1.45 4.34 0.00 8.88 1.43 -0.92 -1.85 118.68 132.02 3ngb s LEU 288 Ca 0.01 2.07 0.25 0.00 -1.03 0.00 0.00 54.13 55.43 3ngb s LEU 288 Cb -0.21 -3.93 0.44 0.00 0.03 0.00 0.00 46.19 42.52 3ngb s LEU 288 CO 0.04 -0.26 1.39 -0.46 0.23 0.00 0.00 176.35 177.29 3ngb n ASN 289 N 0.56 2.18 -3.63 2.29 6.94 -1.26 -0.52 115.26 121.81 3ngb n ASN 289 Ca 0.02 -1.64 -0.23 0.00 -0.02 0.00 0.00 54.58 52.71 3ngb n ASN 289 Cb 0.48 0.11 -0.17 0.00 -2.36 0.00 0.00 39.78 37.84 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 -2.16 0.01 0.36 -3.83 2.20 -1.26 -4.67 119.74 110.39 3ngb s LYS 290 Ca 0.28 0.12 -0.26 0.00 -0.36 0.00 0.00 55.97 55.75 3ngb s LYS 290 Cb 0.20 -1.28 -0.09 0.00 -1.51 0.00 0.00 37.83 35.15 3ngb s LYS 290 CO 0.39 -0.53 1.11 -1.54 -0.36 0.00 0.00 175.35 174.41 3ngb s SER 291 N 2.16 6.84 -0.13 1.43 1.04 -1.26 -4.96 113.70 118.81 3ngb s SER 291 Ca 0.03 2.22 0.01 0.00 0.48 0.00 0.00 55.95 58.70 3ngb s SER 291 Cb -0.14 -2.61 -0.00 0.00 0.10 0.00 0.00 66.02 63.36 3ngb s SER 291 CO -0.07 -0.45 -0.18 -0.69 0.98 0.00 0.00 173.24 172.84 3ngb s VAL 292 N -1.42 2.56 0.06 5.02 1.01 -1.07 -4.93 120.40 121.64 3ngb s VAL 292 Ca 0.53 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 3ngb s VAL 292 Cb -0.28 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3ngb s VAL 292 CO 0.36 0.53 0.98 -0.70 0.00 0.00 0.00 175.10 176.27 3ngb s GLU 293 N 0.54 4.63 -0.15 2.72 2.12 -1.26 -0.90 118.70 126.39 3ngb s GLU 293 Ca -0.11 1.45 0.00 0.00 0.36 0.00 0.00 54.97 56.67 3ngb s GLU 293 Cb -0.16 -3.41 -0.00 0.00 0.26 0.00 0.00 34.13 30.81 3ngb s GLU 293 CO 0.04 0.08 -0.14 -1.50 -0.54 0.00 0.00 175.26 173.20 3ngb s ILE 294 N 0.49 2.75 -0.86 -3.70 2.07 -0.29 -4.31 121.20 117.36 3ngb s ILE 294 Ca 0.50 -0.74 0.00 0.00 -1.41 0.00 0.00 60.65 58.99 3ngb s ILE 294 Cb -0.22 -2.16 0.22 0.00 0.13 0.00 0.00 42.46 40.42 3ngb s ILE 294 CO 0.29 0.51 0.79 -3.20 -1.91 0.00 0.00 174.94 171.42 3ngb n ASN 295 N 4.00 4.13 -4.72 4.50 5.15 -0.38 -1.10 115.26 126.84 3ngb n ASN 295 Ca -0.19 -3.20 -0.41 0.00 -0.60 0.00 0.00 54.58 50.18 3ngb n ASN 295 Cb 0.52 -0.98 -0.04 0.00 -0.53 0.00 0.00 39.78 38.74 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 0.31 0.10 -0.42 0.00 -1.32 0.31 -1.37 115.64 113.24 3ngb s THR 297 Ca 0.47 -0.78 0.02 0.00 -1.21 0.00 0.00 61.69 60.18 3ngb s THR 297 Cb -0.22 -0.99 0.14 0.00 -1.51 0.00 0.00 72.50 69.92 3ngb s THR 297 CO 0.28 -0.43 0.24 -0.60 -2.21 0.00 0.00 174.62 171.89 3ngb s ARG 298 N -2.78 1.09 0.17 7.08 3.52 0.11 -1.53 118.95 126.62 3ngb s ARG 298 Ca -0.03 -1.85 -0.32 0.00 -0.13 0.00 0.00 55.73 53.40 3ngb s ARG 298 Cb -0.00 -2.05 -0.16 0.00 -1.56 0.00 0.00 34.95 31.18 3ngb s ARG 298 CO -0.05 -1.18 0.97 -2.30 -0.81 0.00 0.00 175.30 171.92 3ngb n PRO 299 N 3.64 0.73 -2.19 5.12 -0.02 -1.26 -2.85 135.00 138.17 3ngb n PRO 299 Ca 0.10 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.42 3ngb n PRO 299 Cb 0.36 -1.61 -0.03 0.00 -0.02 0.00 0.00 33.50 32.19 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 -0.34 6.81 0.41 2.55 1.04 -1.26 -4.86 113.70 118.05 3ngb s SER 300 Ca 0.71 2.09 0.00 0.00 0.48 0.00 0.00 55.95 59.23 3ngb s SER 300 Cb -0.91 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 62.66 3ngb s SER 300 CO 0.55 -0.79 0.00 0.59 0.98 0.00 0.00 173.24 174.57 3ngb n ASN 301 N 6.08 -9.03 0.00 7.02 3.02 -1.26 -4.95 115.26 116.14 3ngb n ASN 301 Ca 0.14 1.28 0.00 0.00 -0.03 0.00 0.00 54.58 55.98 3ngb n ASN 301 Cb 0.43 -4.81 0.00 0.00 -0.61 0.00 0.00 39.78 34.79 3ngb n ASN 301 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ngb n GLY 324 N 0.10 0.77 2.82 7.41 0.00 -1.26 -5.09 105.19 109.93 3ngb n GLY 324 Ca 0.00 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 3ngb n GLY 324 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ngb s ASP 325 N -4.00 0.06 0.04 1.61 2.15 -1.26 -5.02 116.67 110.24 3ngb s ASP 325 Ca 0.00 0.02 0.22 0.00 0.43 0.00 0.00 52.55 53.22 3ngb s ASP 325 Cb 0.00 -0.04 0.90 0.00 -0.30 0.00 0.00 42.92 43.48 3ngb s ASP 325 CO 0.00 -0.07 1.69 2.30 -0.17 0.00 0.00 175.17 178.91 3ngb n ILE 326 N 3.71 0.58 0.10 4.11 -5.35 -1.26 -3.13 119.36 118.12 3ngb n ILE 326 Ca -0.21 0.12 -0.16 0.00 -0.27 0.00 0.00 62.75 62.23 3ngb n ILE 326 Cb 0.54 -0.80 -0.11 0.00 -1.74 0.00 0.00 39.64 37.53 3ngb n ILE 326 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3ngb h ARG 327 N 0.00 0.32 -6.78 6.28 2.47 -1.95 -3.47 114.38 111.25 3ngb h ARG 327 Ca 0.00 -0.48 -0.50 0.00 -1.26 0.00 0.00 59.98 57.74 3ngb h ARG 327 Cb 0.39 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 3ngb h ARG 327 CO 0.00 1.20 0.43 -1.59 0.56 0.00 0.00 179.97 180.57 3ngb s LYS 328 N -2.81 4.72 0.00 0.04 0.00 -1.18 0.02 119.74 120.53 3ngb s LYS 328 Ca -0.05 1.68 0.00 0.00 0.00 0.00 0.00 55.97 57.60 3ngb s LYS 328 Cb 0.07 -3.23 0.00 0.00 0.00 0.00 0.00 37.83 34.68 3ngb s LYS 328 CO 0.88 0.33 0.00 0.00 0.00 0.00 0.00 175.35 176.56 3ngb n ALA 329 N 1.35 0.00 -3.49 0.59 0.00 -0.91 -4.75 120.51 113.29 3ngb n ALA 329 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 3ngb n ALA 329 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 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 -3.28 -0.42 -0.07 0.00 1.13 -0.58 -1.92 117.35 112.20 3ngb s TYR 330 Ca 0.00 0.38 0.04 0.00 -1.41 0.00 0.00 57.07 56.08 3ngb s TYR 330 Cb 0.00 0.52 0.00 0.00 -1.10 0.00 0.00 41.96 41.38 3ngb s TYR 330 CO 0.00 -0.60 -0.18 0.00 -2.51 0.00 0.00 175.55 172.26 3ngb s GLU 332 N 0.29 3.68 -0.03 0.00 2.02 -0.86 0.28 118.70 124.08 3ngb s GLU 332 Ca -0.11 -0.49 0.04 0.00 0.02 0.00 0.00 54.97 54.43 3ngb s GLU 332 Cb -0.15 -3.07 -0.00 0.00 0.10 0.00 0.00 34.13 31.01 3ngb s GLU 332 CO 0.05 0.10 -0.16 0.42 0.02 0.00 0.00 175.26 175.68 3ngb s ILE 333 N 0.78 1.35 -0.79 -1.63 1.09 -0.67 -1.25 121.20 120.08 3ngb s ILE 333 Ca 0.00 -0.69 -0.25 0.00 -1.10 0.00 0.00 60.65 58.61 3ngb s ILE 333 Cb -0.14 -1.15 -0.09 0.00 -1.06 0.00 0.00 42.46 40.02 3ngb s ILE 333 CO 0.02 0.39 2.20 0.21 -0.10 0.00 0.00 174.94 177.66 3ngb s ASN 334 N -0.05 4.50 0.32 3.58 3.84 -1.26 -1.66 114.94 124.21 3ngb s ASN 334 Ca -0.01 -0.11 0.05 0.00 0.21 0.00 0.00 52.86 52.99 3ngb s ASN 334 Cb -0.10 -2.55 0.68 0.00 -0.55 0.00 0.00 41.25 38.73 3ngb s ASN 334 CO 0.01 -3.27 1.86 1.23 -2.79 0.00 0.00 177.10 174.14 3ngb h GLY 335 N 20.12 1.42 0.92 1.21 0.00 -1.83 0.13 103.07 125.03 3ngb h GLY 335 Ca -0.00 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 46.97 3ngb h GLY 335 CO 1.11 0.13 0.00 -0.84 0.00 0.00 0.00 176.54 176.94 3ngb h THR 336 N 0.85 0.96 -0.00 4.70 2.02 -1.87 0.15 112.91 119.72 3ngb h THR 336 Ca 0.47 -0.01 -0.13 0.00 0.77 0.00 0.00 66.41 67.51 3ngb h THR 336 Cb 0.58 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 3ngb h THR 336 CO -0.23 0.00 -0.62 0.50 0.37 0.00 0.00 175.52 175.54 3ngb h LYS 337 N 0.02 0.01 0.13 6.66 3.64 -1.65 -2.91 116.57 122.47 3ngb h LYS 337 Ca 0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3ngb h LYS 337 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3ngb h LYS 337 CO -0.04 0.63 -0.06 2.35 -2.27 0.00 0.00 179.45 180.05 3ngb h TRP 338 N 0.01 -0.16 0.00 1.91 2.91 -0.53 -2.84 115.95 117.25 3ngb h TRP 338 Ca -0.01 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.01 3ngb h TRP 338 Cb 1.10 0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 29.80 3ngb h TRP 338 CO 0.00 0.31 -0.02 -0.91 -1.03 0.00 0.00 178.44 176.79 3ngb h ASN 339 N -0.83 0.00 -0.27 2.65 -0.26 -1.05 0.21 115.58 116.03 3ngb h ASN 339 Ca -0.02 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.65 3ngb h ASN 339 Cb 0.55 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.80 3ngb h ASN 339 CO 0.03 0.02 -0.11 0.11 -1.06 0.00 0.00 177.43 176.42 3ngb h LYS 340 N 0.00 0.55 -0.26 0.81 1.79 -1.55 -2.07 116.57 115.84 3ngb h LYS 340 Ca -0.00 -0.23 -0.18 0.00 -2.18 0.00 0.00 60.65 58.05 3ngb h LYS 340 Cb 0.05 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3ngb h LYS 340 CO 0.00 0.79 -0.56 0.28 -1.08 0.00 0.00 179.45 178.88 3ngb h VAL 341 N 0.29 1.29 0.00 0.50 2.07 -0.95 -3.07 116.25 116.38 3ngb h VAL 341 Ca 0.06 -1.76 -0.06 0.00 0.82 0.00 0.00 66.70 65.76 3ngb h VAL 341 Cb 0.62 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3ngb h VAL 341 CO 0.04 0.57 -0.28 0.25 0.02 0.00 0.00 177.57 178.17 3ngb h LEU 342 N 0.61 0.00 -0.74 2.57 5.85 -0.67 -2.24 115.31 120.69 3ngb h LEU 342 Ca 0.01 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.60 3ngb h LEU 342 Cb 1.15 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3ngb h LEU 342 CO 0.12 0.28 -0.55 0.50 -0.34 0.00 0.00 178.44 178.45 3ngb h LYS 343 N 0.00 0.23 0.00 1.25 3.64 -1.29 -2.38 116.57 118.02 3ngb h LYS 343 Ca -0.00 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.14 3ngb h LYS 343 Cb 0.68 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 3ngb h LYS 343 CO 0.04 0.72 -0.47 1.96 -2.27 0.00 0.00 179.45 179.43 3ngb h GLN 344 N 0.18 0.00 -0.27 1.90 4.20 -1.33 -2.65 115.11 117.14 3ngb h GLN 344 Ca 0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 3ngb h GLN 344 Cb 1.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 3ngb h GLN 344 CO 0.08 0.47 -0.13 0.28 -0.67 0.00 0.00 178.83 178.86 3ngb h VAL 345 N 0.00 1.30 0.00 -0.54 2.07 -1.06 -1.13 116.25 116.89 3ngb h VAL 345 Ca -0.00 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 3ngb h VAL 345 Cb 0.94 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3ngb h VAL 345 CO 0.06 0.38 -0.13 0.71 0.02 0.00 0.00 177.57 178.61 3ngb h THR 346 N 0.30 0.77 -0.12 2.57 1.35 -1.37 0.17 112.91 116.58 3ngb h THR 346 Ca 0.06 -0.52 -0.22 0.00 -0.55 0.00 0.00 66.41 65.19 3ngb h THR 346 Cb 0.64 1.31 0.01 0.00 -1.73 0.00 0.00 68.15 68.38 3ngb h THR 346 CO 0.04 0.13 -0.79 -0.08 -0.25 0.00 0.00 175.52 174.57 3ngb h GLU 347 N 0.00 0.67 0.00 4.72 4.57 -1.09 -2.33 114.58 121.12 3ngb h GLU 347 Ca -0.00 -0.56 -0.12 0.00 -1.18 0.00 0.00 59.36 57.50 3ngb h GLU 347 Cb 0.30 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 3ngb h GLU 347 CO 0.02 1.18 -0.57 0.87 -1.18 0.00 0.00 179.01 179.33 3ngb h LYS 348 N 0.45 0.00 -0.13 1.92 1.79 -0.45 -3.16 116.57 116.98 3ngb h LYS 348 Ca -0.05 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.27 3ngb h LYS 348 Cb 1.40 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.04 3ngb h LYS 348 CO 0.15 0.57 -0.53 -0.07 -1.08 0.00 0.00 179.45 178.49 3ngb h LEU 349 N 0.00 0.43-10.26 2.94 3.38 -0.60 -3.38 115.31 107.81 3ngb h LEU 349 Ca -0.01 -0.22 -0.41 0.00 0.09 0.00 0.00 57.88 57.34 3ngb h LEU 349 Cb 1.18 -0.12 0.20 0.00 0.09 0.00 0.00 40.66 42.00 3ngb h LEU 349 CO 0.07 0.88 0.04 -0.54 0.09 0.00 0.00 178.44 178.99 3ngb s LYS 350 N -3.95 -1.77 0.00 1.13 1.02 -0.89 -2.42 119.74 112.87 3ngb s LYS 350 Ca -0.06 0.05 0.00 0.00 0.02 0.00 0.00 55.97 55.99 3ngb s LYS 350 Cb 0.12 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.91 3ngb s LYS 350 CO 0.81 -4.10 0.00 -1.91 -0.92 0.00 0.00 175.35 169.23 3ngb n GLU 351 N -5.06 0.00 -0.09 1.68 2.13 0.31 -4.28 120.64 115.33 3ngb n GLU 351 Ca 0.12 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.80 3ngb n GLU 351 Cb 0.59 -1.07 -0.14 0.00 0.27 0.00 0.00 31.44 31.09 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 -0.38 0.26 -2.39 4.31 8.25 -1.21 -4.52 115.22 119.55 3ngb n HIS 352 Ca 0.00 0.07 -0.29 0.00 -0.26 0.00 0.00 57.72 57.24 3ngb n HIS 352 Cb 0.00 -1.04 0.01 0.00 1.12 0.00 0.00 29.99 30.08 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 -3.09 3.35 -3.83 4.41 3.72 -1.01 -5.06 117.46 115.94 3ngb n PHE 353 Ca -0.37 -2.99 0.00 0.00 -0.05 0.00 0.00 57.45 54.04 3ngb n PHE 353 Cb 1.06 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 39.33 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 -0.49 0.00 -1.60 4.37 4.13 -1.26 -2.74 115.26 117.67 3ngb n ASN 354 Ca 0.41 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.72 3ngb n ASN 354 Cb 0.59 0.00 0.34 0.00 -1.54 0.00 0.00 39.78 39.17 3ngb n ASN 354 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3ngb n ASN 355 N -1.45 4.94 -4.66 6.41 4.13 -1.26 -0.53 115.26 122.84 3ngb n ASN 355 Ca 0.00 -3.04 -0.37 0.00 1.68 0.00 0.00 54.58 52.84 3ngb n ASN 355 Cb 0.00 -0.66 0.06 0.00 -1.54 0.00 0.00 39.78 37.64 3ngb n ASN 355 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3ngb n LYS 357 N 0.08 0.98 -2.27 3.52 5.02 -1.11 -4.89 118.16 119.49 3ngb n LYS 357 Ca 0.29 0.38 -0.43 0.00 -2.02 0.00 0.00 58.31 56.53 3ngb n LYS 357 Cb 1.14 -2.32 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 3ngb n LYS 357 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3ngb s THR 358 N -1.46 3.83 -0.12 -0.18 2.01 -1.16 -4.77 115.64 113.80 3ngb s THR 358 Ca 0.79 0.86 -0.30 0.00 0.31 0.00 0.00 61.69 63.35 3ngb s THR 358 Cb -0.40 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.03 3ngb s THR 358 CO 0.44 -0.64 1.14 -0.63 -0.69 0.00 0.00 174.62 174.24 3ngb s ILE 359 N 5.60 4.45 -0.01 1.82 1.09 -1.26 -2.12 121.20 130.77 3ngb s ILE 359 Ca 0.65 1.75 0.02 0.00 -1.10 0.00 0.00 60.65 61.97 3ngb s ILE 359 Cb -0.16 -4.13 0.00 0.00 -1.06 0.00 0.00 42.46 37.11 3ngb s ILE 359 CO 0.32 -0.05 -0.07 0.27 -0.10 0.00 0.00 174.94 175.31 3ngb s ILE 360 N 2.57 0.57 0.26 2.92 -4.36 -0.70 -4.99 121.20 117.47 3ngb s ILE 360 Ca 0.52 -0.27 -0.01 0.00 -0.26 0.00 0.00 60.65 60.62 3ngb s ILE 360 Cb -0.21 -0.51 -0.04 0.00 1.25 0.00 0.00 42.46 42.95 3ngb s ILE 360 CO 0.17 0.18 0.46 -0.36 0.24 0.00 0.00 174.94 175.63 3ngb s PHE 361 N 0.06 3.48 0.02 1.37 0.08 -1.26 -1.30 117.98 120.43 3ngb s PHE 361 Ca -0.00 0.40 -0.13 0.00 0.12 0.00 0.00 56.93 57.32 3ngb s PHE 361 Cb -0.05 -1.91 0.02 0.00 -0.57 0.00 0.00 43.02 40.50 3ngb s PHE 361 CO -0.00 0.28 0.28 -0.65 -0.10 0.00 0.00 175.22 175.02 3ngb s GLN 362 N -3.61 0.71 0.88 0.44 -1.52 0.01 -4.83 119.66 111.74 3ngb s GLN 362 Ca 0.40 -0.38 -0.10 0.00 -1.95 0.00 0.00 55.36 53.32 3ngb s GLN 362 Cb -0.11 0.31 0.12 0.00 -0.22 0.00 0.00 33.01 33.12 3ngb s GLN 362 CO 0.31 -0.21 1.12 -1.25 -0.25 0.00 0.00 175.29 175.01 3ngb s PRO 363 N -1.96 1.34 0.47 2.91 0.04 -1.26 -4.11 135.00 132.44 3ngb s PRO 363 Ca -0.09 1.37 -0.23 0.00 0.04 0.00 0.00 61.00 62.09 3ngb s PRO 363 Cb -0.03 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.64 3ngb s PRO 363 CO 0.00 -2.35 1.03 -2.30 0.04 0.00 0.00 177.00 173.42 3ngb n PRO 364 N -4.02 1.30 0.02 0.56 -0.02 -1.26 -4.88 135.00 126.70 3ngb n PRO 364 Ca 0.10 0.47 0.13 0.00 -2.02 0.00 0.00 63.50 62.19 3ngb n PRO 364 Cb 0.53 -2.12 0.46 0.00 -0.02 0.00 0.00 33.50 32.35 3ngb n PRO 364 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3ngb n SER 365 N 0.12 0.29 0.00 2.55 7.64 -1.26 -4.99 113.62 117.97 3ngb n SER 365 Ca 0.10 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.27 3ngb n SER 365 Cb 0.42 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 3ngb n SER 365 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ngb n GLY 366 N 1.46 -1.93 0.00 0.23 0.00 -1.26 -5.19 105.19 98.50 3ngb n GLY 366 Ca 0.06 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.37 1.30 3.68 -0.02 0.00 -1.26 -4.58 105.19 103.94 3ngb n GLY 367 Ca 0.00 -2.24 -0.32 0.00 0.00 0.00 0.00 46.02 43.46 3ngb n GLY 367 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ngb s ASP 368 N 0.00 3.10 0.64 1.61 1.01 -1.26 -4.65 116.67 117.12 3ngb s ASP 368 Ca 0.00 2.26 0.41 0.00 0.71 0.00 0.00 52.55 55.93 3ngb s ASP 368 Cb 0.00 -2.58 2.18 0.00 1.01 0.00 0.00 42.92 43.53 3ngb s ASP 368 CO 0.00 -2.99 2.30 -0.07 0.21 0.00 0.00 175.17 174.62 3ngb h LEU 369 N -1.56 0.00 -0.81 1.23 4.07 -1.97 0.68 115.31 116.95 3ngb h LEU 369 Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.52 3ngb h LEU 369 Cb 1.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 3ngb h LEU 369 CO 0.43 0.01 0.00 -0.33 -1.08 0.00 0.00 178.44 177.46 3ngb h GLU 370 N 0.00 0.00 0.00 1.13 3.07 -1.89 -2.88 114.58 114.01 3ngb h GLU 370 Ca -0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.65 3ngb h GLU 370 Cb 0.09 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.96 3ngb h GLU 370 CO 0.00 0.00 -1.79 -0.89 -1.40 0.00 0.00 179.01 174.93 3ngb n ILE 371 N -2.42 0.79 0.37 3.13 5.41 0.14 -4.38 119.36 122.40 3ngb n ILE 371 Ca 0.02 -0.28 0.12 0.00 1.00 0.00 0.00 62.75 63.60 3ngb n ILE 371 Cb 0.26 -1.12 0.50 0.00 -0.71 0.00 0.00 39.64 38.57 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 -3.05 0.84 -4.29 1.39 -2.24 -0.63 -4.75 114.28 101.56 3ngb n THR 372 Ca -0.25 0.28 -0.16 0.00 -2.27 0.00 0.00 64.05 61.65 3ngb n THR 372 Cb 0.75 -1.22 -0.10 0.00 -2.10 0.00 0.00 70.33 67.66 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 -3.34 1.17 -0.55 -0.78 -1.94 -1.09 -4.74 119.30 108.03 3ngb s MET 373 Ca 0.04 -1.52 -0.27 0.00 -1.71 0.00 0.00 55.69 52.23 3ngb s MET 373 Cb 0.09 -0.76 -0.01 0.00 2.01 0.00 0.00 34.83 36.16 3ngb s MET 373 CO 0.38 0.08 1.72 -1.58 -0.01 0.00 0.00 175.02 175.61 3ngb s HIS 374 N -3.24 1.86 -0.18 -0.03 2.46 0.70 -4.75 115.29 112.11 3ngb s HIS 374 Ca 0.20 0.65 -0.08 0.00 0.47 0.00 0.00 55.06 56.30 3ngb s HIS 374 Cb 0.02 -4.19 -0.04 0.00 -0.13 0.00 0.00 32.58 28.24 3ngb s HIS 374 CO 0.03 -2.35 0.09 -1.58 -2.47 0.00 0.00 174.74 168.46 3ngb s HIS 375 N 7.79 3.32 0.14 3.88 5.04 -1.26 -1.02 115.29 133.19 3ngb s HIS 375 Ca 0.65 0.19 -0.23 0.00 -1.54 0.00 0.00 55.06 54.13 3ngb s HIS 375 Cb -0.14 -2.10 0.07 0.00 0.04 0.00 0.00 32.58 30.45 3ngb s HIS 375 CO 0.24 0.23 0.58 -0.59 -2.34 0.00 0.00 174.74 172.87 3ngb s PHE 376 N 0.28 -0.51 -0.31 3.88 -0.71 -1.06 -2.02 117.98 117.52 3ngb s PHE 376 Ca 0.05 0.33 -0.07 0.00 -1.04 0.00 0.00 56.93 56.21 3ngb s PHE 376 Cb -0.12 0.52 0.02 0.00 -1.21 0.00 0.00 43.02 42.23 3ngb s PHE 376 CO -0.01 -0.82 0.10 1.21 -1.34 0.00 0.00 175.22 174.36 3ngb s ASN 377 N -2.66 5.24 -0.17 1.98 3.84 -1.26 -1.35 114.94 120.57 3ngb s ASN 377 Ca 0.00 -0.84 -0.01 0.00 0.21 0.00 0.00 52.86 52.22 3ngb s ASN 377 Cb -0.01 -1.89 -0.01 0.00 -0.55 0.00 0.00 41.25 38.79 3ngb s ASN 377 CO -0.12 -0.24 -0.11 0.00 -2.79 0.00 0.00 177.10 173.84 3ngb n ARG 379 N 4.18 -1.97 0.00 0.00 3.00 -1.24 -0.90 116.66 119.72 3ngb n ARG 379 Ca -0.19 0.69 0.00 0.00 -0.01 0.00 0.00 57.85 58.35 3ngb n ARG 379 Cb 0.52 -5.24 0.00 0.00 0.00 0.00 0.00 32.46 27.74 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 -0.73 3.01 3.84 -0.13 0.00 -1.26 -4.59 105.19 105.34 3ngb n GLY 380 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.78 3.94 -0.42 1.61 0.41 -0.08 -4.99 118.70 118.38 3ngb s GLU 381 Ca 0.00 0.42 -0.21 0.00 -0.41 0.00 0.00 54.97 54.77 3ngb s GLU 381 Cb 0.00 -3.05 0.02 0.00 -1.78 0.00 0.00 34.13 29.32 3ngb s GLU 381 CO 0.00 0.56 0.68 -0.06 -0.49 0.00 0.00 175.26 175.96 3ngb s PHE 382 N -1.32 3.06 -0.01 1.61 0.08 -1.26 -1.25 117.98 118.88 3ngb s PHE 382 Ca 0.33 0.09 -0.13 0.00 0.12 0.00 0.00 56.93 57.34 3ngb s PHE 382 Cb -0.16 -3.39 -0.05 0.00 -0.57 0.00 0.00 43.02 38.85 3ngb s PHE 382 CO 0.18 -0.85 0.36 -0.06 -0.10 0.00 0.00 175.22 174.75 3ngb s PHE 383 N 2.93 3.69 -0.21 0.36 0.08 -0.45 -2.28 117.98 122.08 3ngb s PHE 383 Ca 0.25 0.89 0.01 0.00 0.12 0.00 0.00 56.93 58.19 3ngb s PHE 383 Cb -0.14 -2.21 0.05 0.00 -0.57 0.00 0.00 43.02 40.15 3ngb s PHE 383 CO 0.19 0.65 -0.07 0.71 -0.10 0.00 0.00 175.22 176.59 3ngb s TYR 384 N -1.11 2.33 -0.14 0.36 2.02 -0.15 -2.57 117.35 118.10 3ngb s TYR 384 Ca 0.23 -1.61 -0.02 0.00 -0.37 0.00 0.00 57.07 55.30 3ngb s TYR 384 Cb -0.16 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 39.81 3ngb s TYR 384 CO 0.12 -0.74 -0.06 0.00 -1.57 0.00 0.00 175.55 173.30 3ngb s ASN 386 N 0.22 6.47 -0.15 0.00 3.84 -0.41 -0.22 114.94 124.70 3ngb s ASN 386 Ca -0.04 0.09 0.13 0.00 0.21 0.00 0.00 52.86 53.25 3ngb s ASN 386 Cb -0.14 -2.51 0.65 0.00 -0.55 0.00 0.00 41.25 38.70 3ngb s ASN 386 CO 0.03 -1.32 1.52 0.35 -2.79 0.00 0.00 177.10 174.89 3ngb n THR 387 N 6.58 1.96 0.01 -5.21 -2.24 -1.26 -4.24 114.28 109.87 3ngb n THR 387 Ca 0.08 -1.08 -0.10 0.00 -2.27 0.00 0.00 64.05 60.67 3ngb n THR 387 Cb 0.49 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.53 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 3.37 0.43 -0.00 4.28 2.02 -1.93 -1.47 112.91 119.61 3ngb h THR 388 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ngb h THR 388 Cb 1.53 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 3ngb h THR 388 CO 0.32 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.21 3ngb n GLN 389 N -5.36 1.00 0.01 6.66 10.64 -1.26 -2.75 117.38 126.32 3ngb n GLN 389 Ca -0.03 -0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.26 3ngb n GLN 389 Cb 0.28 -1.34 0.27 0.00 -0.86 0.00 0.00 30.24 28.59 3ngb n GLN 389 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 3ngb n LEU 390 N -0.84 0.48 -2.39 2.61 7.94 -0.56 -4.02 117.00 120.22 3ngb n LEU 390 Ca 0.17 0.07 -0.17 0.00 -1.11 0.00 0.00 56.01 54.96 3ngb n LEU 390 Cb 0.08 -0.26 0.02 0.00 0.53 0.00 0.00 43.42 43.79 3ngb n LEU 390 CO 0.12 0.09 0.10 0.49 -1.11 0.00 0.00 177.39 177.09 3ngb n PHE 391 N -1.57 2.36 -2.65 1.96 3.01 -1.11 -5.02 117.46 114.44 3ngb n PHE 391 Ca 0.05 -2.47 -0.43 0.00 1.01 0.00 0.00 57.45 55.62 3ngb n PHE 391 Cb 0.35 -0.26 -0.02 0.00 -0.01 0.00 0.00 39.48 39.53 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 -3.58 7.15 0.26 4.37 3.84 -1.26 -4.70 114.94 121.02 3ngb s ASN 392 Ca 0.42 1.47 -0.01 0.00 0.21 0.00 0.00 52.86 54.95 3ngb s ASN 392 Cb 0.39 -2.55 0.33 0.00 -0.55 0.00 0.00 41.25 38.87 3ngb s ASN 392 CO -0.03 -0.58 1.73 0.78 -2.79 0.00 0.00 177.10 176.21 3ngb h ASN 393 N 7.34 0.70 -0.62 -4.21 2.35 -1.95 -3.07 115.58 116.12 3ngb h ASN 393 Ca -0.25 -0.20 0.06 0.00 -0.55 0.00 0.00 56.30 55.36 3ngb h ASN 393 Cb 1.10 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 39.23 3ngb h ASN 393 CO 0.92 0.83 0.32 0.74 -1.65 0.00 0.00 177.43 178.60 3ngb h THR 394 N 0.66 0.94 -0.02 2.81 2.02 -1.98 -0.89 112.91 116.44 3ngb h THR 394 Ca 0.12 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3ngb h THR 394 Cb 0.55 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3ngb h THR 394 CO 0.03 0.11 0.00 0.00 0.37 0.00 0.00 175.52 176.03 3ngb h ILE 396 N 0.48 1.33 -0.27 0.00 5.03 -1.09 -3.05 117.51 119.94 3ngb h ILE 396 Ca 0.00 -2.89 -0.12 0.00 -0.12 0.00 0.00 64.86 61.73 3ngb h ILE 396 Cb 0.10 2.65 -0.07 0.00 -3.03 0.00 0.00 36.82 36.48 3ngb h ILE 396 CO 0.00 0.76 0.15 0.61 -0.68 0.00 0.00 178.15 178.98 3ngb n GLY 397 N 1.30 2.54 1.40 5.37 0.00 -1.11 -4.66 105.19 110.03 3ngb n GLY 397 Ca 0.00 -0.31 0.17 0.00 0.00 0.00 0.00 46.02 45.88 3ngb n GLY 397 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ngb n ASN 404 N 0.05 -7.77 -2.08 1.61 4.13 -1.15 -4.40 115.26 105.65 3ngb n ASN 404 Ca 0.15 1.32 -0.18 0.00 1.68 0.00 0.00 54.58 57.56 3ngb n ASN 404 Cb 0.77 -4.74 -0.02 0.00 -1.54 0.00 0.00 39.78 34.24 3ngb n ASN 404 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3ngb n GLU 405 N -4.26 1.97 -0.12 3.52 4.71 -1.26 -4.54 120.64 120.65 3ngb n GLU 405 Ca -0.08 -1.63 -0.09 0.00 -0.01 0.00 0.00 57.16 55.35 3ngb n GLU 405 Cb 0.66 -1.79 -0.01 0.00 -1.01 0.00 0.00 31.44 29.29 3ngb n GLU 405 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ngb h THR 406 N 1.48 1.15 0.00 2.62 1.03 -1.96 -3.33 112.91 113.89 3ngb h THR 406 Ca 0.29 -0.41 0.00 0.00 -0.01 0.00 0.00 66.41 66.28 3ngb h THR 406 Cb 0.93 0.74 0.00 0.00 -1.07 0.00 0.00 68.15 68.75 3ngb h THR 406 CO 0.67 0.16 -0.35 0.23 -0.01 0.00 0.00 175.52 176.22 3ngb n MET 407 N -4.74 0.32 -4.86 0.00 2.81 -1.26 -5.07 117.12 104.32 3ngb n MET 407 Ca -0.00 -1.28 -0.33 0.00 -1.81 0.00 0.00 57.70 54.28 3ngb n MET 407 Cb 0.09 -0.71 -0.15 0.00 -0.71 0.00 0.00 33.22 31.73 3ngb n MET 407 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3ngb s LYS 408 N -0.59 3.23 -0.60 0.03 3.01 -1.25 -5.08 119.74 118.48 3ngb s LYS 408 Ca 0.06 -0.77 -0.25 0.00 -1.01 0.00 0.00 55.97 54.01 3ngb s LYS 408 Cb 0.06 -2.52 0.04 0.00 -1.01 0.00 0.00 37.83 34.40 3ngb s LYS 408 CO 0.01 0.15 1.03 0.20 0.51 0.00 0.00 175.35 177.24 3ngb s GLY 409 N 0.47 1.29 -0.08 -3.33 0.00 -1.26 -4.59 107.32 99.82 3ngb s GLY 409 Ca -0.12 -1.30 0.03 0.00 0.00 0.00 0.00 44.72 43.33 3ngb s GLY 409 CO 0.05 2.20 0.72 0.00 0.00 0.00 0.00 173.10 176.07 3ngb n ASN 411 N -0.38 0.00 0.00 0.00 3.02 -1.26 -4.86 115.26 111.78 3ngb n ASN 411 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 3ngb n ASN 411 Cb 0.57 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 3ngb n ASN 411 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ngb n GLY 412 N 3.22 2.98 3.27 7.41 0.00 -1.26 -4.64 105.19 116.17 3ngb n GLY 412 Ca 0.00 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 3ngb n GLY 412 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ngb s THR 413 N 0.00 2.32 -0.21 2.61 2.01 -1.26 -2.67 115.64 118.43 3ngb s THR 413 Ca 0.00 -0.93 -0.19 0.00 0.31 0.00 0.00 61.69 60.88 3ngb s THR 413 Cb 0.00 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 3ngb s THR 413 CO 0.00 0.55 0.54 -0.51 -0.69 0.00 0.00 174.62 174.52 3ngb s ILE 414 N 0.27 5.08 -0.26 1.82 2.07 -0.66 -4.89 121.20 124.61 3ngb s ILE 414 Ca -0.15 0.99 -0.09 0.00 -1.41 0.00 0.00 60.65 59.99 3ngb s ILE 414 Cb -0.17 -3.86 -0.04 0.00 0.13 0.00 0.00 42.46 38.52 3ngb s ILE 414 CO 0.07 0.14 0.12 0.42 -1.91 0.00 0.00 174.94 173.78 3ngb s THR 415 N 1.87 4.75 -0.08 4.00 -4.23 -1.26 -1.67 115.64 119.02 3ngb s THR 415 Ca 0.24 -0.02 -0.19 0.00 -1.18 0.00 0.00 61.69 60.54 3ngb s THR 415 Cb -0.16 -3.24 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 3ngb s THR 415 CO 0.09 0.30 0.53 -0.76 -0.54 0.00 0.00 174.62 174.24 3ngb s LEU 416 N 1.67 4.33 -0.37 4.79 1.43 0.14 -4.86 118.68 125.81 3ngb s LEU 416 Ca 0.07 0.95 -0.28 0.00 -1.03 0.00 0.00 54.13 53.84 3ngb s LEU 416 Cb -0.15 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 3ngb s LEU 416 CO 0.07 0.03 1.73 -2.84 0.23 0.00 0.00 176.35 175.56 3ngb s PRO 417 N 0.34 3.34 0.42 1.29 0.02 -1.26 -1.52 135.00 137.62 3ngb s PRO 417 Ca 0.28 1.27 0.07 0.00 0.02 0.00 0.00 61.00 62.65 3ngb s PRO 417 Cb -0.16 -4.18 -0.04 0.00 0.02 0.00 0.00 34.50 30.14 3ngb s PRO 417 CO 0.13 -1.86 0.23 0.00 -0.33 0.00 0.00 177.00 175.18 3ngb s LYS 419 N -3.97 0.67 -0.46 0.00 -2.85 -0.27 -2.15 119.74 110.70 3ngb s LYS 419 Ca 0.42 0.26 -0.16 0.00 -1.00 0.00 0.00 55.97 55.49 3ngb s LYS 419 Cb 0.02 0.31 0.06 0.00 -2.06 0.00 0.00 37.83 36.16 3ngb s LYS 419 CO 0.24 -0.15 0.41 0.42 0.10 0.00 0.00 175.35 176.36 3ngb s ILE 420 N -0.59 5.19 0.15 3.79 1.01 0.10 -0.97 121.20 129.88 3ngb s ILE 420 Ca -0.07 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 3ngb s ILE 420 Cb -0.03 -4.11 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 3ngb s ILE 420 CO 0.04 -0.55 0.48 -0.54 0.00 0.00 0.00 174.94 174.37 3ngb s LYS 421 N 1.78 3.82 -0.17 2.79 1.02 -0.97 -4.82 119.74 123.20 3ngb s LYS 421 Ca 0.06 0.27 0.18 0.00 0.02 0.00 0.00 55.97 56.50 3ngb s LYS 421 Cb -0.23 -2.86 -0.26 0.00 -0.52 0.00 0.00 37.83 33.96 3ngb s LYS 421 CO 0.08 0.46 0.16 1.04 -0.92 0.00 0.00 175.35 176.17 3ngb n GLN 422 N 0.50 0.68 -3.46 1.68 6.02 -1.26 -4.47 117.38 117.07 3ngb n GLN 422 Ca -0.04 -0.03 -0.40 0.00 -0.01 0.00 0.00 57.00 56.52 3ngb n GLN 422 Cb 0.52 -1.53 -0.10 0.00 1.02 0.00 0.00 30.24 30.15 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 -2.66 5.22 0.17 5.09 1.01 -1.26 -0.24 121.20 128.53 3ngb s ILE 423 Ca -0.09 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.53 3ngb s ILE 423 Cb 0.07 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 3ngb s ILE 423 CO 0.84 -0.03 -0.01 0.27 0.00 0.00 0.00 174.94 176.00 3ngb s ILE 424 N 1.88 0.75 -0.34 2.92 -4.36 -0.37 -4.97 121.20 116.71 3ngb s ILE 424 Ca 0.09 -1.99 -0.16 0.00 -0.26 0.00 0.00 60.65 58.33 3ngb s ILE 424 Cb -0.17 -2.07 -0.01 0.00 1.25 0.00 0.00 42.46 41.46 3ngb s ILE 424 CO 0.11 -0.53 0.42 0.20 0.24 0.00 0.00 174.94 175.38 3ngb s ASN 425 N -3.17 6.23 0.15 4.36 0.01 -1.26 -0.73 114.94 120.53 3ngb s ASN 425 Ca 0.22 -0.11 -0.32 0.00 -0.71 0.00 0.00 52.86 51.95 3ngb s ASN 425 Cb 0.06 -2.22 -0.11 0.00 0.41 0.00 0.00 41.25 39.38 3ngb s ASN 425 CO 0.03 -0.37 1.78 0.23 -1.51 0.00 0.00 177.10 177.26 3ngb n MET 426 N 5.50 2.72 0.07 -0.60 2.81 -0.77 -4.89 117.12 121.96 3ngb n MET 426 Ca -0.08 0.99 -0.06 0.00 -1.81 0.00 0.00 57.70 56.74 3ngb n MET 426 Cb 0.49 -2.85 -0.10 0.00 -0.71 0.00 0.00 33.22 30.05 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 7.73 0.00 0.00 2.03 5.08 -1.96 -3.38 115.95 125.45 3ngb h TRP 427 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.52 3ngb h TRP 427 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 3ngb h TRP 427 CO 0.73 0.93 0.00 1.04 -1.28 0.00 0.00 178.44 179.86 3ngb n GLN 428 N -3.33 0.00 0.00 0.12 3.00 -1.26 -4.90 117.38 111.01 3ngb n GLN 428 Ca -0.00 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 3ngb n GLN 428 Cb 0.92 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 29.78 3ngb n GLN 428 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ngb n GLY 429 N -0.90 3.12 3.50 1.08 0.00 -1.26 -5.11 105.19 105.62 3ngb n GLY 429 Ca 0.00 -1.27 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 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 4.35 2.88 0.00 2.61 2.01 -1.26 -4.77 115.64 121.46 3ngb s THR 430 Ca 0.00 -1.62 0.00 0.00 0.31 0.00 0.00 61.69 60.38 3ngb s THR 430 Cb 0.00 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 70.15 3ngb s THR 430 CO 0.00 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 3ngb n GLY 431 N 0.51 2.01 3.73 4.40 0.00 -1.26 -4.66 105.19 109.92 3ngb n GLY 431 Ca -0.14 -2.20 -0.27 0.00 0.00 0.00 0.00 46.02 43.41 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 -1.69 2.67 -0.01 1.61 -0.21 -0.40 -1.84 119.66 119.79 3ngb s GLN 432 Ca 0.00 -0.95 0.02 0.00 0.02 0.00 0.00 55.36 54.45 3ngb s GLN 432 Cb 0.00 -2.53 -0.00 0.00 1.00 0.00 0.00 33.01 31.48 3ngb s GLN 432 CO 0.00 0.48 -0.07 0.00 -2.12 0.00 0.00 175.29 173.58 3ngb s ALA 433 N -1.67 0.64 -0.17 6.09 0.00 0.09 -1.25 121.76 125.47 3ngb s ALA 433 Ca 0.29 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.94 3ngb s ALA 433 Cb -0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 3ngb s ALA 433 CO 0.21 0.13 -0.06 1.41 0.00 0.00 0.00 175.76 177.45 3ngb s MET 434 N -0.00 3.51 0.25 0.00 1.75 -0.34 -1.24 119.30 123.23 3ngb s MET 434 Ca 0.00 -0.59 0.09 0.00 -1.25 0.00 0.00 55.69 53.95 3ngb s MET 434 Cb -0.05 -2.90 -0.04 0.00 2.84 0.00 0.00 34.83 34.68 3ngb s MET 434 CO -0.00 0.07 0.01 0.71 -0.65 0.00 0.00 175.02 175.16 3ngb s TYR 435 N 0.78 2.74 0.83 4.11 1.51 0.66 -0.26 117.35 127.71 3ngb s TYR 435 Ca -0.02 -0.20 -0.11 0.00 -1.01 0.00 0.00 57.07 55.73 3ngb s TYR 435 Cb -0.15 -1.24 0.09 0.00 -0.11 0.00 0.00 41.96 40.56 3ngb s TYR 435 CO 0.02 0.59 1.13 0.00 -1.11 0.00 0.00 175.55 176.18 3ngb s ALA 436 N -2.19 1.90 0.59 3.71 0.00 -1.26 -4.72 121.76 119.79 3ngb s ALA 436 Ca 0.31 0.49 -0.20 0.00 0.00 0.00 0.00 51.96 52.56 3ngb s ALA 436 Cb -0.07 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 3ngb s ALA 436 CO 0.20 -2.21 1.14 -2.30 0.00 0.00 0.00 175.76 172.59 3ngb n PRO 437 N -3.72 1.17 -1.60 0.00 -0.02 -1.26 -4.92 135.00 124.66 3ngb n PRO 437 Ca 0.11 0.45 -0.39 0.00 -2.02 0.00 0.00 63.50 61.65 3ngb n PRO 437 Cb 0.52 -2.34 0.04 0.00 -0.02 0.00 0.00 33.50 31.70 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 -1.13 1.00 -2.02 0.52 -0.02 -1.26 -4.95 135.00 127.14 3ngb n PRO 438 Ca 0.13 0.38 -0.36 0.00 -2.02 0.00 0.00 63.50 61.63 3ngb n PRO 438 Cb 0.46 -2.08 0.03 0.00 -0.02 0.00 0.00 33.50 31.89 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 -1.47 2.63 0.46 4.25 -4.36 -1.26 -5.01 121.20 116.44 3ngb s ILE 439 Ca 0.71 0.40 -0.20 0.00 -0.26 0.00 0.00 60.65 61.30 3ngb s ILE 439 Cb -0.46 -3.16 -0.10 0.00 1.25 0.00 0.00 42.46 39.99 3ngb s ILE 439 CO 0.51 -0.08 0.97 1.51 0.24 0.00 0.00 174.94 178.09 3ngb s ASP 440 N -1.58 6.76 0.00 4.36 1.47 -1.26 -4.93 116.67 121.48 3ngb s ASP 440 Ca 0.77 1.69 0.00 0.00 1.18 0.00 0.00 52.55 56.19 3ngb s ASP 440 Cb -0.30 -2.53 0.00 0.00 -0.34 0.00 0.00 42.92 39.74 3ngb s ASP 440 CO 0.33 -0.49 0.00 0.61 0.68 0.00 0.00 175.17 176.30 3ngb n GLY 441 N -0.84 2.18 3.61 2.12 0.00 -1.26 -4.96 105.19 106.04 3ngb n GLY 441 Ca 0.07 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 3ngb n GLY 441 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ngb s LYS 442 N -2.36 3.42 -0.41 1.61 2.20 -1.26 -4.30 119.74 118.64 3ngb s LYS 442 Ca 0.00 1.82 -0.15 0.00 -0.36 0.00 0.00 55.97 57.28 3ngb s LYS 442 Cb 0.00 -4.23 0.02 0.00 -1.51 0.00 0.00 37.83 32.10 3ngb s LYS 442 CO 0.00 -1.77 0.31 0.42 -0.36 0.00 0.00 175.35 173.95 3ngb s ILE 443 N 6.90 5.25 -0.01 5.43 1.01 -1.13 -4.97 121.20 133.67 3ngb s ILE 443 Ca 0.87 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.92 3ngb s ILE 443 Cb -0.29 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.27 3ngb s ILE 443 CO 0.34 -0.30 0.01 0.21 0.00 0.00 0.00 174.94 175.20 3ngb s ASN 444 N 1.69 0.15 -0.08 3.58 3.84 -1.26 0.04 114.94 122.90 3ngb s ASN 444 Ca 0.06 0.00 -0.03 0.00 0.21 0.00 0.00 52.86 53.10 3ngb s ASN 444 Cb -0.19 -0.07 0.04 0.00 -0.55 0.00 0.00 41.25 40.49 3ngb s ASN 444 CO 0.10 -0.06 0.10 0.00 -2.79 0.00 0.00 177.10 174.46 3ngb s VAL 446 N 2.21 5.21 0.23 0.00 1.01 -1.26 -2.78 120.40 125.02 3ngb s VAL 446 Ca 0.04 0.66 0.09 0.00 0.00 0.00 0.00 61.98 62.78 3ngb s VAL 446 Cb -0.13 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 3ngb s VAL 446 CO -0.05 0.26 -0.16 -0.44 0.00 0.00 0.00 175.10 174.71 3ngb s SER 447 N 1.03 2.94 -0.33 3.32 0.01 -0.26 -4.98 113.70 115.43 3ngb s SER 447 Ca 0.18 -1.03 -0.11 0.00 1.31 0.00 0.00 55.95 56.30 3ngb s SER 447 Cb -0.15 -0.20 -0.00 0.00 0.21 0.00 0.00 66.02 65.89 3ngb s SER 447 CO 0.08 -0.11 0.18 0.20 0.41 0.00 0.00 173.24 174.00 3ngb s ASN 448 N -3.39 5.69 -0.54 2.44 0.01 -1.26 -1.13 114.94 116.75 3ngb s ASN 448 Ca 0.25 -0.59 -0.28 0.00 -0.71 0.00 0.00 52.86 51.54 3ngb s ASN 448 Cb -0.02 -2.03 0.01 0.00 0.41 0.00 0.00 41.25 39.62 3ngb s ASN 448 CO 0.10 -0.24 1.45 -0.63 -1.51 0.00 0.00 177.10 176.27 3ngb s ILE 449 N 1.63 3.77 -0.65 0.60 1.01 -0.08 -0.44 121.20 127.03 3ngb s ILE 449 Ca 0.04 0.67 0.11 0.00 0.00 0.00 0.00 60.65 61.48 3ngb s ILE 449 Cb -0.17 -4.37 -0.10 0.00 0.01 0.00 0.00 42.46 37.83 3ngb s ILE 449 CO 0.07 -1.09 0.53 0.35 0.00 0.00 0.00 174.94 174.80 3ngb n THR 450 N 6.91 0.00 -3.46 2.92 -2.24 -0.50 -2.58 114.28 115.33 3ngb n THR 450 Ca 0.13 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.54 3ngb n THR 450 Cb 0.49 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 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 -1.94 -0.56 -0.04 3.38 0.00 -1.18 -2.17 107.32 104.81 3ngb s GLY 451 Ca 0.05 0.52 0.03 0.00 0.00 0.00 0.00 44.72 45.32 3ngb s GLY 451 CO 0.43 0.17 -0.11 -0.42 0.00 0.00 0.00 173.10 173.17 3ngb s ILE 452 N -3.66 0.97 -0.15 0.90 1.01 -0.24 -0.72 121.20 119.31 3ngb s ILE 452 Ca 0.02 -0.44 -0.14 0.00 0.00 0.00 0.00 60.65 60.09 3ngb s ILE 452 Cb -0.01 -0.86 -0.05 0.00 0.01 0.00 0.00 42.46 41.55 3ngb s ILE 452 CO -0.11 0.30 0.29 -0.76 0.00 0.00 0.00 174.94 174.66 3ngb s LEU 453 N 0.29 4.26 0.15 2.97 1.43 0.08 0.10 118.68 127.95 3ngb s LEU 453 Ca -0.06 0.53 0.05 0.00 -1.03 0.00 0.00 54.13 53.62 3ngb s LEU 453 Cb -0.11 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 3ngb s LEU 453 CO 0.01 0.12 -0.11 -0.76 0.23 0.00 0.00 176.35 175.85 3ngb s LEU 454 N 0.32 2.51 -0.03 1.79 1.43 0.10 -0.49 118.68 124.32 3ngb s LEU 454 Ca 0.17 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 3ngb s LEU 454 Cb -0.13 -0.39 0.03 0.00 0.03 0.00 0.00 46.19 45.73 3ngb s LEU 454 CO 0.04 -0.30 0.00 -0.89 0.23 0.00 0.00 176.35 175.44 3ngb s THR 455 N -3.14 0.18 -0.12 5.49 2.01 -0.49 -0.82 115.64 118.75 3ngb s THR 455 Ca 0.16 0.10 -0.13 0.00 0.31 0.00 0.00 61.69 62.13 3ngb s THR 455 Cb 0.01 -0.29 -0.05 0.00 0.01 0.00 0.00 72.50 72.19 3ngb s THR 455 CO 0.01 0.15 0.28 -0.60 -0.69 0.00 0.00 174.62 173.78 3ngb s ARG 456 N 1.12 4.03 0.47 4.92 3.52 -1.26 -1.26 118.95 130.49 3ngb s ARG 456 Ca -0.08 0.11 -0.22 0.00 -0.13 0.00 0.00 55.73 55.41 3ngb s ARG 456 Cb -0.13 -3.34 -0.07 0.00 -1.56 0.00 0.00 34.95 29.85 3ngb s ARG 456 CO -0.02 0.44 1.14 -0.51 -0.81 0.00 0.00 175.30 175.54 3ngb s ASP 457 N -0.14 6.14 0.21 -2.12 -0.00 -0.47 -4.77 116.67 115.52 3ngb s ASP 457 Ca 0.18 2.23 0.06 0.00 -0.00 0.00 0.00 52.55 55.01 3ngb s ASP 457 Cb -0.14 -2.59 -0.05 0.00 -0.00 0.00 0.00 42.92 40.14 3ngb s ASP 457 CO 0.06 -0.93 -0.08 -0.83 -0.00 0.00 0.00 175.17 173.38 3ngb s GLY 458 N -1.51 1.44 0.00 0.21 0.00 -1.26 -4.77 107.32 101.43 3ngb s GLY 458 Ca 0.65 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.69 3ngb s GLY 458 CO 0.31 -1.71 0.00 0.61 0.00 0.00 0.00 173.10 172.31 3ngb n GLY 459 N -0.38 4.42 3.77 0.20 0.00 -1.26 -5.12 105.19 106.83 3ngb n GLY 459 Ca -0.07 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 3.55 0.00 4.61 0.00 -1.26 -4.99 121.76 123.67 3ngb s ALA 460 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3ngb s ALA 460 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.50 3ngb s ALA 460 CO 0.00 0.65 0.00 0.27 0.00 0.00 0.00 175.76 176.68 3ngb n ASN 461 N 1.60 2.12 0.04 0.00 6.94 -1.26 -4.64 115.26 120.05 3ngb n ASN 461 Ca -0.16 -0.25 0.12 0.00 -0.02 0.00 0.00 54.58 54.27 3ngb n ASN 461 Cb 0.53 0.92 0.12 0.00 -2.36 0.00 0.00 39.78 39.00 3ngb n ASN 461 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3ngb n ASN 462 N -1.14 0.64 -4.70 0.53 4.05 -1.26 -4.94 115.26 108.44 3ngb n ASN 462 Ca 0.00 -0.06 -0.33 0.00 0.45 0.00 0.00 54.58 54.64 3ngb n ASN 462 Cb 0.00 0.42 0.13 0.00 1.23 0.00 0.00 39.78 41.56 3ngb n ASN 462 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 3ngb s THR 463 N -3.16 2.11 -0.35 -0.44 -1.32 -1.26 -4.95 115.64 106.26 3ngb s THR 463 Ca 0.06 0.05 0.07 0.00 -1.21 0.00 0.00 61.69 60.65 3ngb s THR 463 Cb 0.14 -2.43 0.50 0.00 -1.51 0.00 0.00 72.50 69.20 3ngb s THR 463 CO 0.75 -0.04 1.52 -1.54 -2.21 0.00 0.00 174.62 173.11 3ngb n SER 464 N -3.33 3.70 -3.63 8.08 3.41 -1.26 -5.01 113.62 115.58 3ngb n SER 464 Ca 0.13 -3.78 -0.05 0.00 -0.26 0.00 0.00 58.87 54.91 3ngb n SER 464 Cb 0.51 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.80 3ngb n SER 464 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ngb s ASN 465 N -2.57 -0.23 0.10 4.04 2.20 -1.26 -2.96 114.94 114.25 3ngb s ASN 465 Ca 0.49 -0.19 0.10 0.00 -0.94 0.00 0.00 52.86 52.33 3ngb s ASN 465 Cb 0.43 0.38 -0.04 0.00 -2.00 0.00 0.00 41.25 40.03 3ngb s ASN 465 CO 0.01 -0.68 -0.26 -1.61 -2.94 0.00 0.00 177.10 171.62 3ngb s GLU 466 N -3.06 1.57 -0.12 3.55 0.41 -0.90 -4.87 118.70 115.28 3ngb s GLU 466 Ca 0.10 -1.25 0.02 0.00 -0.41 0.00 0.00 54.97 53.42 3ngb s GLU 466 Cb -0.00 -1.94 -0.00 0.00 -1.78 0.00 0.00 34.13 30.40 3ngb s GLU 466 CO -0.03 0.47 -0.20 0.99 -0.49 0.00 0.00 175.26 176.00 3ngb s THR 467 N -0.98 2.41 0.10 3.63 2.01 -1.26 -1.71 115.64 119.84 3ngb s THR 467 Ca 0.13 -0.89 0.10 0.00 0.31 0.00 0.00 61.69 61.35 3ngb s THR 467 Cb -0.10 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 3ngb s THR 467 CO 0.05 0.55 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.91 3ngb s PHE 468 N 0.40 2.36 -0.03 4.92 0.08 -0.42 -1.36 117.98 123.94 3ngb s PHE 468 Ca -0.15 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 56.55 3ngb s PHE 468 Cb -0.17 -1.31 0.02 0.00 -0.57 0.00 0.00 43.02 40.99 3ngb s PHE 468 CO 0.07 0.29 -0.00 1.03 -0.10 0.00 0.00 175.22 176.51 3ngb s ARG 469 N -1.85 0.31 -0.44 0.44 0.52 -0.38 -0.81 118.95 116.75 3ngb s ARG 469 Ca 0.14 0.05 -0.42 0.00 -0.52 0.00 0.00 55.73 54.98 3ngb s ARG 469 Cb -0.10 -0.46 -0.17 0.00 0.52 0.00 0.00 34.95 34.74 3ngb s ARG 469 CO 0.06 -0.11 2.03 -2.30 0.02 0.00 0.00 175.30 175.00 3ngb n PRO 470 N 3.99 0.39 0.00 3.54 -0.02 -1.26 -1.39 135.00 140.25 3ngb n PRO 470 Ca -0.25 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3ngb n PRO 470 Cb 0.51 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3ngb n PRO 470 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ngb n GLY 471 N 6.40 1.47 0.00 -1.23 0.00 0.36 -4.68 105.19 107.50 3ngb n GLY 471 Ca 0.45 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3ngb n GLY 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ngb n GLY 472 N 5.00 2.45 0.00 -0.02 0.00 -1.26 -1.98 105.19 109.38 3ngb n GLY 472 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.46 4.47 3.32 -0.02 0.00 -1.26 -4.97 105.19 106.27 3ngb n GLY 473 Ca 0.00 -0.86 -0.46 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.00 6.37 0.58 1.61 2.47 -1.26 -4.93 114.94 119.77 3ngb s ASN 474 Ca 0.00 -2.04 0.28 0.00 0.42 0.00 0.00 52.86 51.52 3ngb s ASN 474 Cb 0.00 -2.22 1.53 0.00 -1.45 0.00 0.00 41.25 39.11 3ngb s ASN 474 CO 0.00 -0.79 2.01 0.40 -3.72 0.00 0.00 177.10 174.99 3ngb h ILE 475 N 5.56 0.50 -0.85 -5.21 5.03 -1.96 -0.88 117.51 119.70 3ngb h ILE 475 Ca -0.17 0.00 0.21 0.00 -0.12 0.00 0.00 64.86 64.78 3ngb h ILE 475 Cb 1.08 0.74 -0.05 0.00 -3.03 0.00 0.00 36.82 35.56 3ngb h ILE 475 CO 0.96 0.00 0.58 0.11 -0.68 0.00 0.00 178.15 179.12 3ngb h LYS 476 N 0.00 0.23 0.00 2.37 1.57 -1.95 0.31 116.57 119.09 3ngb h LYS 476 Ca 0.17 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3ngb h LYS 476 Cb 0.83 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 3ngb h LYS 476 CO -0.00 0.15 -0.18 -0.44 -0.57 0.00 0.00 179.45 178.41 3ngb h ASP 477 N 0.24 0.00 0.39 0.86 3.32 -1.59 -0.95 116.42 118.70 3ngb h ASP 477 Ca 0.43 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.44 3ngb h ASP 477 Cb 1.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 3ngb h ASP 477 CO -0.10 0.18 -0.16 0.78 -1.72 0.00 0.00 179.24 178.22 3ngb h ASN 478 N 0.00 0.00 0.53 6.45 4.21 -0.55 -1.90 115.58 124.31 3ngb h ASN 478 Ca -0.00 0.00 -0.24 0.00 1.21 0.00 0.00 56.30 57.27 3ngb h ASN 478 Cb 0.42 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.58 3ngb h ASN 478 CO 0.02 0.16 -1.65 0.79 -1.29 0.00 0.00 177.43 175.46 3ngb n TRP 479 N -3.73 0.89 0.18 1.19 5.03 -0.46 -3.90 117.44 116.64 3ngb n TRP 479 Ca -0.02 0.31 0.03 0.00 3.03 0.00 0.00 57.50 60.85 3ngb n TRP 479 Cb 0.27 -1.12 0.38 0.00 -1.03 0.00 0.00 31.31 29.81 3ngb n TRP 479 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3ngb h ARG 480 N 0.00 0.04 0.00 -0.99 3.08 -0.90 -0.18 114.38 115.42 3ngb h ARG 480 Ca -0.25 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3ngb h ARG 480 Cb 1.84 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.88 3ngb h ARG 480 CO 0.06 0.35 0.00 -1.13 -1.07 0.00 0.00 179.97 178.18 3ngb n SER 481 N -4.15 0.00 0.00 7.04 3.41 -0.75 -2.42 113.62 116.74 3ngb n SER 481 Ca -0.02 -0.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 3ngb n SER 481 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.95 1.03 -0.08 4.33 -0.58 -0.81 -4.77 120.64 118.81 3ngb n GLU 482 Ca 0.12 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.97 3ngb n GLU 482 Cb 0.06 -0.84 0.37 0.00 -0.57 0.00 0.00 31.44 30.46 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 -1.92 1.66 -0.11 -4.62 4.77 -0.14 -4.36 117.00 112.28 3ngb n LEU 483 Ca 0.00 -0.69 0.14 0.00 -0.03 0.00 0.00 56.01 55.42 3ngb n LEU 483 Cb 0.34 -0.11 0.51 0.00 -2.33 0.00 0.00 43.42 41.83 3ngb n LEU 483 CO 0.00 0.35 1.20 0.10 -1.33 0.00 0.00 177.39 177.70 3ngb h TYR 484 N 2.20 0.43 -0.53 -1.77 -0.00 -1.72 -1.79 116.97 113.80 3ngb h TYR 484 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 3ngb h TYR 484 Cb 0.48 -0.14 0.00 0.00 -0.00 0.00 0.00 36.73 37.07 3ngb h TYR 484 CO 0.11 0.19 0.00 0.36 -0.00 0.00 0.00 178.16 178.81 3ngb n LYS 485 N -4.47 2.67 -4.47 0.10 2.85 -1.26 -4.51 118.16 109.07 3ngb n LYS 485 Ca 0.12 -2.08 -0.25 0.00 -1.05 0.00 0.00 58.31 55.05 3ngb n LYS 485 Cb 0.44 -1.58 -0.10 0.00 -0.65 0.00 0.00 35.03 33.14 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 -1.51 2.41 -0.28 5.58 2.02 -0.68 -0.53 117.35 124.36 3ngb s TYR 486 Ca 0.38 -0.43 -0.20 0.00 -0.37 0.00 0.00 57.07 56.45 3ngb s TYR 486 Cb 0.22 -1.29 0.12 0.00 -0.40 0.00 0.00 41.96 40.62 3ngb s TYR 486 CO 0.22 0.60 0.94 0.21 -1.57 0.00 0.00 175.55 175.95 3ngb s LYS 487 N -3.60 0.51 -0.21 -0.62 2.20 -1.05 -4.90 119.74 112.07 3ngb s LYS 487 Ca 0.32 0.74 -0.11 0.00 -0.36 0.00 0.00 55.97 56.56 3ngb s LYS 487 Cb -0.00 0.18 -0.05 0.00 -1.51 0.00 0.00 37.83 36.44 3ngb s LYS 487 CO 0.17 -0.08 0.20 0.08 -0.36 0.00 0.00 175.35 175.35 3ngb s VAL 488 N 0.87 5.35 0.14 4.02 1.01 -1.26 -0.67 120.40 129.86 3ngb s VAL 488 Ca -0.04 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.29 3ngb s VAL 488 Cb -0.04 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3ngb s VAL 488 CO -0.11 0.37 -0.11 0.68 0.00 0.00 0.00 175.10 175.93 3ngb s VAL 489 N 0.79 1.25 -0.17 2.92 -7.23 -0.76 -2.93 120.40 114.26 3ngb s VAL 489 Ca 0.10 -1.96 -0.03 0.00 -1.81 0.00 0.00 61.98 58.28 3ngb s VAL 489 Cb -0.13 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 3ngb s VAL 489 CO 0.03 -0.64 -0.06 -1.58 -0.31 0.00 0.00 175.10 172.54 3ngb s GLN 490 N -3.41 3.55 0.14 4.82 0.74 -0.41 -1.64 119.66 123.44 3ngb s GLN 490 Ca 0.15 -0.58 -0.30 0.00 0.05 0.00 0.00 55.36 54.68 3ngb s GLN 490 Cb 0.00 -2.88 -0.07 0.00 1.10 0.00 0.00 33.01 31.16 3ngb s GLN 490 CO 0.02 0.14 1.14 0.42 -0.55 0.00 0.00 175.29 176.45 3ngb s ILE 491 N 0.62 3.90 0.00 -2.34 1.09 -0.48 -2.52 121.20 121.47 3ngb s ILE 491 Ca -0.04 1.54 0.00 0.00 -1.10 0.00 0.00 60.65 61.05 3ngb s ILE 491 Cb -0.15 -3.98 0.00 0.00 -1.06 0.00 0.00 42.46 37.27 3ngb s ILE 491 CO 0.03 0.22 0.07 -1.84 -0.10 0.00 0.00 174.94 173.32