#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ngb s TRP 45 N 0.00 0.09 -0.02 1.45 -2.14 -1.26 -3.06 118.94 114.01 3ngb s TRP 45 Ca 0.00 -0.60 -0.06 0.00 2.66 0.00 0.00 56.10 58.10 3ngb s TRP 45 Cb 0.00 0.62 0.01 0.00 -3.10 0.00 0.00 33.47 31.00 3ngb s TRP 45 CO 0.00 -1.31 0.14 -1.59 -2.66 0.00 0.00 176.95 171.52 3ngb s LYS 46 N -3.30 0.36 0.17 3.25 -2.85 -1.04 -4.96 119.74 111.37 3ngb s LYS 46 Ca 0.16 -0.18 -0.34 0.00 -1.00 0.00 0.00 55.97 54.61 3ngb s LYS 46 Cb -0.04 0.16 -0.14 0.00 -2.06 0.00 0.00 37.83 35.74 3ngb s LYS 46 CO 0.10 -0.08 1.49 -0.25 0.10 0.00 0.00 175.35 176.71 3ngb n ASP 47 N 2.03 2.78 -3.84 0.03 9.92 -1.26 -1.56 116.55 124.65 3ngb n ASP 47 Ca -0.19 1.10 -0.08 0.00 -0.53 0.00 0.00 54.79 55.09 3ngb n ASP 47 Cb 0.57 -1.39 -0.03 0.00 -0.64 0.00 0.00 41.12 39.62 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 0.59 -0.93 -0.00 2.24 0.00 -1.20 -4.84 121.76 117.60 3ngb s ALA 48 Ca 0.77 -0.38 0.08 0.00 0.00 0.00 0.00 51.96 52.42 3ngb s ALA 48 Cb -0.71 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 3ngb s ALA 48 CO 0.42 -0.92 -0.24 -0.51 0.00 0.00 0.00 175.76 174.52 3ngb s ASP 49 N -2.92 2.79 0.16 0.00 1.01 -1.26 -4.54 116.67 111.90 3ngb s ASP 49 Ca 0.13 -0.46 -0.16 0.00 0.71 0.00 0.00 52.55 52.77 3ngb s ASP 49 Cb -0.03 -0.29 0.03 0.00 1.01 0.00 0.00 42.92 43.63 3ngb s ASP 49 CO 0.04 0.27 0.44 0.28 0.21 0.00 0.00 175.17 176.41 3ngb s THR 50 N -0.61 0.05 -0.64 -1.27 -1.32 -1.26 -5.10 115.64 105.49 3ngb s THR 50 Ca 0.09 -0.69 -0.27 0.00 -1.21 0.00 0.00 61.69 59.61 3ngb s THR 50 Cb -0.09 -1.37 0.00 0.00 -1.51 0.00 0.00 72.50 69.53 3ngb s THR 50 CO -0.00 -0.23 1.59 -0.89 -2.21 0.00 0.00 174.62 172.88 3ngb s THR 51 N -3.84 3.55 0.77 5.08 2.01 -1.26 -4.98 115.64 116.97 3ngb s THR 51 Ca 0.06 0.36 -0.11 0.00 0.31 0.00 0.00 61.69 62.32 3ngb s THR 51 Cb 0.01 -4.35 0.05 0.00 0.01 0.00 0.00 72.50 68.22 3ngb s THR 51 CO -0.08 -1.26 1.09 -0.76 -0.69 0.00 0.00 174.62 172.92 3ngb s LEU 52 N 7.37 3.02 0.06 4.42 1.43 -1.26 -4.62 118.68 129.11 3ngb s LEU 52 Ca 0.54 1.79 0.10 0.00 -1.03 0.00 0.00 54.13 55.52 3ngb s LEU 52 Cb -0.11 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.58 3ngb s LEU 52 CO 0.20 -1.98 -0.26 0.72 0.23 0.00 0.00 176.35 175.25 3ngb s PHE 53 N -2.92 2.28 0.55 0.29 -0.71 -0.40 -4.93 117.98 112.14 3ngb s PHE 53 Ca 0.61 -0.40 -0.01 0.00 -1.04 0.00 0.00 56.93 56.09 3ngb s PHE 53 Cb -0.17 -1.34 0.03 0.00 -1.21 0.00 0.00 43.02 40.33 3ngb s PHE 53 CO 0.56 0.17 0.79 0.00 -1.34 0.00 0.00 175.22 175.41 3ngb s ALA 55 N -2.80 -1.57 0.36 0.00 0.00 -0.25 -2.88 121.76 114.62 3ngb s ALA 55 Ca 0.55 1.89 -0.07 0.00 0.00 0.00 0.00 51.96 54.34 3ngb s ALA 55 Cb -0.10 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 21.93 3ngb s ALA 55 CO 0.40 -0.31 0.58 -1.54 0.00 0.00 0.00 175.76 174.89 3ngb s SER 56 N 0.75 0.66 -0.25 0.00 1.04 -0.76 -0.74 113.70 114.40 3ngb s SER 56 Ca -0.03 -1.39 0.13 0.00 0.48 0.00 0.00 55.95 55.13 3ngb s SER 56 Cb -0.05 0.73 0.66 0.00 0.10 0.00 0.00 66.02 67.47 3ngb s SER 56 CO -0.06 -1.44 1.63 0.47 0.98 0.00 0.00 173.24 174.82 3ngb n ASP 57 N -1.46 4.45 -4.59 7.02 8.00 -1.26 -2.93 116.55 125.77 3ngb n ASP 57 Ca -0.02 -3.16 -0.51 0.00 0.71 0.00 0.00 54.79 51.82 3ngb n ASP 57 Cb 0.61 -0.65 -0.05 0.00 -0.02 0.00 0.00 41.12 41.00 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 -0.23 -0.83 -2.37 2.24 0.00 -1.26 -4.94 120.51 113.12 3ngb n ALA 58 Ca 0.31 0.50 -0.39 0.00 0.00 0.00 0.00 53.44 53.86 3ngb n ALA 58 Cb 1.14 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 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 0.24 4.26 0.40 0.00 1.02 -1.26 -4.91 119.74 119.48 3ngb s LYS 59 Ca 0.81 0.73 0.21 0.00 0.02 0.00 0.00 55.97 57.74 3ngb s LYS 59 Cb -0.91 -3.29 0.37 0.00 -0.52 0.00 0.00 37.83 33.48 3ngb s LYS 59 CO 0.48 0.51 1.60 0.00 -0.92 0.00 0.00 175.35 177.02 3ngb h ALA 60 N 5.06 0.90 0.00 5.17 0.00 -1.92 -3.17 119.26 125.30 3ngb h ALA 60 Ca -0.48 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.12 3ngb h ALA 60 Cb 1.21 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3ngb h ALA 60 CO 0.66 0.22 -0.99 1.12 0.00 0.00 0.00 179.25 180.27 3ngb h HIS 61 N 0.00 0.00 -3.96 0.00 2.07 -1.95 -3.47 115.15 107.84 3ngb h HIS 61 Ca -0.00 0.00 -0.54 0.00 -2.85 0.00 0.00 60.37 56.98 3ngb h HIS 61 Cb 1.07 0.00 0.11 0.00 2.57 0.00 0.00 27.41 31.16 3ngb h HIS 61 CO 0.00 0.61 0.74 -2.00 -3.07 0.00 0.00 177.93 174.21 3ngb s GLU 62 N -2.90 3.97 0.00 5.12 2.56 -1.20 -4.92 118.70 121.33 3ngb s GLU 62 Ca 0.00 2.49 0.23 0.00 0.00 0.00 0.00 54.97 57.69 3ngb s GLU 62 Cb 0.08 -2.86 0.21 0.00 2.00 0.00 0.00 34.13 33.57 3ngb s GLU 62 CO 0.78 -0.61 1.26 -2.37 -0.56 0.00 0.00 175.26 173.76 3ngb n THR 63 N 0.23 0.06 -2.16 -1.70 5.66 -1.26 -4.62 114.28 110.49 3ngb n THR 63 Ca 0.02 -0.53 -0.41 0.00 -3.05 0.00 0.00 64.05 60.08 3ngb n THR 63 Cb 0.40 1.43 -0.03 0.00 -1.55 0.00 0.00 70.33 70.59 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 -1.90 4.36 0.21 1.09 -6.30 -1.26 -4.68 118.70 110.22 3ngb s GLU 64 Ca 0.29 2.12 -0.22 0.00 -2.50 0.00 0.00 54.97 54.66 3ngb s GLU 64 Cb 0.20 -3.16 0.14 0.00 0.00 0.00 0.00 34.13 31.31 3ngb s GLU 64 CO 0.29 -0.28 1.55 0.28 0.02 0.00 0.00 175.26 177.12 3ngb h VAL 65 N 3.63 0.01 -0.32 3.70 2.07 -1.46 -1.65 116.25 122.24 3ngb h VAL 65 Ca -0.45 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3ngb h VAL 65 Cb 1.22 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3ngb h VAL 65 CO 0.76 0.00 0.08 0.45 0.02 0.00 0.00 177.57 178.88 3ngb h HIS 66 N -0.02 0.54 0.00 1.57 3.86 -1.86 -1.91 115.15 117.33 3ngb h HIS 66 Ca 0.28 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 3ngb h HIS 66 Cb 0.55 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.86 3ngb h HIS 66 CO -0.89 0.56 -0.05 -0.91 0.86 0.00 0.00 177.93 177.50 3ngb h ASN 67 N 0.36 0.00 0.07 2.45 2.35 -1.72 0.10 115.58 119.19 3ngb h ASN 67 Ca 0.10 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 3ngb h ASN 67 Cb 0.29 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.68 3ngb h ASN 67 CO 0.00 0.05 -0.64 0.58 -1.65 0.00 0.00 177.43 175.77 3ngb h VAL 68 N 0.00 1.51 -0.49 2.81 2.07 -0.90 -3.19 116.25 118.06 3ngb h VAL 68 Ca -0.00 -2.32 -0.09 0.00 0.82 0.00 0.00 66.70 65.12 3ngb h VAL 68 Cb 0.11 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 3ngb h VAL 68 CO 0.01 0.66 -0.03 -0.25 0.02 0.00 0.00 177.57 177.97 3ngb h TRP 69 N -0.33 0.97 0.00 1.57 7.01 -1.06 -2.86 115.95 121.24 3ngb h TRP 69 Ca -0.10 -0.18 0.00 0.00 2.11 0.00 0.00 58.89 60.72 3ngb h TRP 69 Cb 1.43 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 28.25 3ngb h TRP 69 CO 0.18 0.92 0.00 0.00 -2.79 0.00 0.00 178.44 176.75 3ngb n ALA 70 N -2.45 2.30 -0.12 2.65 0.00 -0.00 -2.59 120.51 120.30 3ngb n ALA 70 Ca 0.01 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.26 3ngb n ALA 70 Cb 0.33 -1.09 -0.13 0.00 0.00 0.00 0.00 19.45 18.56 3ngb n ALA 70 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3ngb n THR 71 N -0.62 1.47 0.19 0.00 -1.04 -1.08 -3.21 114.28 109.98 3ngb n THR 71 Ca 0.04 -0.67 0.11 0.00 -2.04 0.00 0.00 64.05 61.49 3ngb n THR 71 Cb 0.02 -1.10 0.27 0.00 -1.82 0.00 0.00 70.33 67.70 3ngb n THR 71 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ngb n HIS 72 N -3.09 0.66 0.00 -1.42 1.44 -1.09 -4.39 115.22 107.33 3ngb n HIS 72 Ca -0.41 -0.33 0.00 0.00 -2.01 0.00 0.00 57.72 54.97 3ngb n HIS 72 Cb 1.05 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.16 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 1.36 1.02 -2.60 1.59 0.00 -1.07 -5.10 120.51 115.72 3ngb n ALA 73 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.41 3ngb n ALA 73 Cb 0.56 0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.38 3.11 0.26 0.00 -7.23 -1.14 -4.63 120.40 108.39 3ngb s VAL 75 Ca 0.32 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.21 3ngb s VAL 75 Cb -0.05 -2.62 -0.14 0.00 0.56 0.00 0.00 36.38 34.12 3ngb s VAL 75 CO 0.19 -0.32 1.12 -2.65 -0.31 0.00 0.00 175.10 173.14 3ngb n PRO 76 N -0.59 1.45 -1.94 4.82 -0.02 -1.26 -1.83 135.00 135.64 3ngb n PRO 76 Ca -0.07 0.51 -0.37 0.00 -2.02 0.00 0.00 63.50 61.55 3ngb n PRO 76 Cb 0.58 -1.96 0.04 0.00 -0.02 0.00 0.00 33.50 32.13 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 -0.72 2.43 -0.11 3.45 2.01 -1.15 -4.76 115.64 116.79 3ngb s THR 77 Ca 0.63 0.29 -0.29 0.00 0.31 0.00 0.00 61.69 62.63 3ngb s THR 77 Cb -0.72 -3.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 3ngb s THR 77 CO 0.57 -0.03 1.88 -0.62 -0.69 0.00 0.00 174.62 175.73 3ngb s ASP 78 N -1.33 6.23 0.53 3.53 3.68 -1.26 -4.85 116.67 123.20 3ngb s ASP 78 Ca 0.75 2.13 0.36 0.00 2.13 0.00 0.00 52.55 57.92 3ngb s ASP 78 Cb -0.34 -2.53 1.53 0.00 -1.45 0.00 0.00 42.92 40.13 3ngb s ASP 78 CO 0.39 -1.30 1.80 -0.65 0.13 0.00 0.00 175.17 175.53 3ngb h PRO 79 N 11.51 0.02 -1.82 4.34 0.11 -2.04 -3.28 132.00 140.85 3ngb h PRO 79 Ca -0.42 -0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.35 3ngb h PRO 79 Cb 1.21 -0.01 -0.29 0.00 0.11 0.00 0.00 31.00 32.02 3ngb h PRO 79 CO 0.96 0.02 -0.68 0.54 -0.21 0.00 0.00 178.00 178.63 3ngb s ASN 80 N -5.15 0.71 0.65 -2.05 2.20 -1.26 -5.15 114.94 104.89 3ngb s ASN 80 Ca -0.05 -1.69 -0.17 0.00 -0.94 0.00 0.00 52.86 50.01 3ngb s ASN 80 Cb 0.23 0.71 -0.05 0.00 -2.00 0.00 0.00 41.25 40.14 3ngb s ASN 80 CO 0.81 -0.22 0.69 -2.65 -2.94 0.00 0.00 177.10 172.78 3ngb n PRO 81 N 3.99 0.52 -3.92 3.55 -0.02 -1.24 -4.99 135.00 132.88 3ngb n PRO 81 Ca 0.14 0.22 -0.31 0.00 -2.02 0.00 0.00 63.50 61.53 3ngb n PRO 81 Cb 0.47 -1.92 -0.15 0.00 -0.02 0.00 0.00 33.50 31.88 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 -2.65 1.22 -0.16 -0.52 2.00 -1.26 -5.10 119.66 113.19 3ngb s GLN 82 Ca 0.70 -1.61 -0.10 0.00 -2.00 0.00 0.00 55.36 52.35 3ngb s GLN 82 Cb -0.39 -2.80 -0.05 0.00 0.80 0.00 0.00 33.01 30.58 3ngb s GLN 82 CO 0.53 -0.96 0.17 -2.00 -0.50 0.00 0.00 175.29 172.53 3ngb s GLU 83 N 1.14 3.92 -0.26 1.67 2.12 -1.26 -4.43 118.70 121.59 3ngb s GLU 83 Ca 0.11 -0.11 0.03 0.00 0.36 0.00 0.00 54.97 55.35 3ngb s GLU 83 Cb -0.18 -3.33 0.06 0.00 0.26 0.00 0.00 34.13 30.94 3ngb s GLU 83 CO -0.14 0.48 -0.10 0.42 -0.54 0.00 0.00 175.26 175.38 3ngb s ILE 84 N -0.19 2.16 0.14 -3.70 1.01 0.45 -4.93 121.20 116.14 3ngb s ILE 84 Ca 0.12 -1.65 -0.31 0.00 0.00 0.00 0.00 60.65 58.82 3ngb s ILE 84 Cb -0.12 -2.28 -0.08 0.00 0.01 0.00 0.00 42.46 39.99 3ngb s ILE 84 CO 0.02 -0.05 1.35 -2.28 0.00 0.00 0.00 174.94 173.98 3ngb s HIS 85 N 1.10 3.26 -0.45 3.97 5.65 -1.26 0.43 115.29 127.99 3ngb s HIS 85 Ca -0.08 1.06 -0.03 0.00 0.25 0.00 0.00 55.06 56.26 3ngb s HIS 85 Cb -0.20 -3.64 0.12 0.00 -1.18 0.00 0.00 32.58 27.68 3ngb s HIS 85 CO -0.05 -2.15 0.26 -0.51 -0.65 0.00 0.00 174.74 171.64 3ngb s LEU 86 N 0.68 5.28 0.80 8.88 1.43 -0.61 -4.92 118.68 130.23 3ngb s LEU 86 Ca 0.61 -2.18 -0.11 0.00 -1.03 0.00 0.00 54.13 51.42 3ngb s LEU 86 Cb -0.36 -1.85 0.07 0.00 0.03 0.00 0.00 46.19 44.08 3ngb s LEU 86 CO 0.33 -0.52 1.09 -1.83 0.23 0.00 0.00 176.35 175.65 3ngb s GLU 87 N 0.93 2.07 0.00 1.70 -1.05 -1.26 -3.48 118.70 117.60 3ngb s GLU 87 Ca 0.10 0.80 0.00 0.00 -0.15 0.00 0.00 54.97 55.71 3ngb s GLU 87 Cb -0.23 -1.90 0.00 0.00 -0.44 0.00 0.00 34.13 31.56 3ngb s GLU 87 CO -0.04 -1.67 0.00 0.09 0.95 0.00 0.00 175.26 174.59 3ngb n ASN 88 N -3.49 0.00 -4.63 0.83 4.13 -1.26 -4.99 115.26 105.85 3ngb n ASN 88 Ca 0.07 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 56.01 3ngb n ASN 88 Cb 0.55 -0.52 -0.10 0.00 -1.54 0.00 0.00 39.78 38.17 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 -2.80 3.89 -0.38 2.41 0.11 -1.23 -5.08 120.40 117.33 3ngb s VAL 89 Ca 0.00 -0.62 0.05 0.00 -2.93 0.00 0.00 61.98 58.48 3ngb s VAL 89 Cb 0.00 -2.69 0.17 0.00 -1.53 0.00 0.00 36.38 32.33 3ngb s VAL 89 CO 0.00 0.44 0.47 0.28 -3.33 0.00 0.00 175.10 172.96 3ngb s THR 90 N -0.99 -0.59 0.71 5.04 -1.32 -1.26 -4.47 115.64 112.77 3ngb s THR 90 Ca 0.17 -0.60 -0.05 0.00 -1.21 0.00 0.00 61.69 59.99 3ngb s THR 90 Cb -0.11 -0.45 0.09 0.00 -1.51 0.00 0.00 72.50 70.52 3ngb s THR 90 CO 0.07 -0.36 1.01 -1.61 -2.21 0.00 0.00 174.62 171.52 3ngb s GLU 91 N 1.63 1.95 -0.32 7.08 0.41 -1.22 -4.78 118.70 123.44 3ngb s GLU 91 Ca 0.16 -0.55 -0.03 0.00 -0.41 0.00 0.00 54.97 54.15 3ngb s GLU 91 Cb -0.11 -2.22 0.05 0.00 -1.78 0.00 0.00 34.13 30.08 3ngb s GLU 91 CO -0.06 -1.34 0.04 1.21 -0.49 0.00 0.00 175.26 174.62 3ngb s ASN 92 N -4.60 5.00 0.13 -0.19 2.47 -1.26 -1.63 114.94 114.86 3ngb s ASN 92 Ca 0.63 -1.34 -0.13 0.00 0.42 0.00 0.00 52.86 52.44 3ngb s ASN 92 Cb -0.09 -1.75 -0.07 0.00 -1.45 0.00 0.00 41.25 37.90 3ngb s ASN 92 CO 0.45 -0.30 0.51 -0.36 -3.72 0.00 0.00 177.10 173.68 3ngb s PHE 93 N 1.26 3.61 -0.38 0.43 0.08 -0.89 -4.93 117.98 117.17 3ngb s PHE 93 Ca -0.03 1.00 0.01 0.00 0.12 0.00 0.00 56.93 58.02 3ngb s PHE 93 Cb -0.20 -2.32 0.14 0.00 -0.57 0.00 0.00 43.02 40.07 3ngb s PHE 93 CO -0.01 0.46 0.22 1.21 -0.10 0.00 0.00 175.22 177.00 3ngb s ASN 94 N -1.71 3.11 0.66 1.36 3.84 -1.24 -1.84 114.94 119.13 3ngb s ASN 94 Ca 0.36 -2.32 0.38 0.00 0.21 0.00 0.00 52.86 51.50 3ngb s ASN 94 Cb -0.15 -0.56 2.10 0.00 -0.55 0.00 0.00 41.25 42.09 3ngb s ASN 94 CO 0.19 -0.30 2.19 -0.03 -2.79 0.00 0.00 177.10 176.36 3ngb h MET 95 N 6.91 0.00 0.00 0.43 1.85 -1.20 -1.78 114.93 121.14 3ngb h MET 95 Ca 0.05 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.14 3ngb h MET 95 Cb 0.96 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.99 3ngb h MET 95 CO 0.32 0.00 -0.75 0.91 -0.40 0.00 0.00 176.91 176.99 3ngb n TRP 96 N -3.04 0.06 -3.28 1.39 7.02 -1.26 -4.25 117.44 114.08 3ngb n TRP 96 Ca -0.02 0.02 -0.26 0.00 -1.02 0.00 0.00 57.50 56.21 3ngb n TRP 96 Cb 0.20 -0.22 -0.07 0.00 -2.42 0.00 0.00 31.31 28.81 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 -1.59 2.24 -3.85 -0.99 4.76 -0.67 -5.04 118.16 113.02 3ngb n LYS 97 Ca 0.04 -4.37 -0.30 0.00 -2.87 0.00 0.00 58.31 50.82 3ngb n LYS 97 Cb 0.35 -2.03 -0.16 0.00 -1.84 0.00 0.00 35.03 31.36 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 -2.43 3.83 0.60 4.39 2.47 -1.25 -4.88 114.94 117.68 3ngb s ASN 98 Ca 0.41 -1.36 0.30 0.00 0.42 0.00 0.00 52.86 52.63 3ngb s ASN 98 Cb 0.19 -1.02 1.70 0.00 -1.45 0.00 0.00 41.25 40.66 3ngb s ASN 98 CO -0.06 -0.32 2.08 -1.13 -3.72 0.00 0.00 177.10 173.95 3ngb h ASN 99 N 8.01 0.00 -0.94 -4.21 -0.73 -1.95 -0.85 115.58 114.91 3ngb h ASN 99 Ca -0.15 0.00 0.13 0.00 1.87 0.00 0.00 56.30 58.15 3ngb h ASN 99 Cb 1.06 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 39.56 3ngb h ASN 99 CO 0.43 0.00 0.56 0.24 -0.37 0.00 0.00 177.43 178.29 3ngb h MET 100 N 0.00 0.83 -0.63 6.67 2.86 -1.96 0.13 114.93 122.84 3ngb h MET 100 Ca 0.08 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 3ngb h MET 100 Cb 0.54 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 3ngb h MET 100 CO -0.00 0.55 0.41 0.28 1.06 0.00 0.00 176.91 179.21 3ngb h VAL 101 N 0.86 1.06 -0.16 -2.22 2.07 -1.52 -2.18 116.25 114.15 3ngb h VAL 101 Ca 0.49 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.72 3ngb h VAL 101 Cb 0.56 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3ngb h VAL 101 CO -0.30 0.13 -0.08 -0.33 0.02 0.00 0.00 177.57 177.01 3ngb h GLU 102 N 0.70 0.34 -0.49 1.57 4.39 -0.88 -2.73 114.58 117.49 3ngb h GLU 102 Ca 0.26 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 3ngb h GLU 102 Cb 0.15 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3ngb h GLU 102 CO -0.07 0.66 0.02 1.96 -1.16 0.00 0.00 179.01 180.42 3ngb h GLN 103 N 0.02 0.79 -0.32 2.33 4.20 -1.07 -2.04 115.11 119.02 3ngb h GLN 103 Ca 0.04 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 3ngb h GLN 103 Cb 0.56 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3ngb h GLN 103 CO 0.02 0.79 -0.07 1.98 -0.67 0.00 0.00 178.83 180.89 3ngb h MET 104 N 0.75 0.52 0.61 1.46 4.05 -1.41 -1.71 114.93 119.20 3ngb h MET 104 Ca 0.15 -0.13 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 3ngb h MET 104 Cb 0.43 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 3ngb h MET 104 CO 0.02 0.60 -0.47 1.96 0.23 0.00 0.00 176.91 179.24 3ngb h GLN 105 N 0.49 -1.02 0.00 0.39 1.08 -1.05 0.26 115.11 115.26 3ngb h GLN 105 Ca 0.10 0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.37 3ngb h GLN 105 Cb 0.42 0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 28.08 3ngb h GLN 105 CO 0.02 -0.68 -0.00 1.49 -0.95 0.00 0.00 178.83 178.71 3ngb h GLU 106 N -1.06 0.00 -0.05 1.46 4.81 -1.30 0.30 114.58 118.74 3ngb h GLU 106 Ca -0.08 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3ngb h GLU 106 Cb 0.88 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 3ngb h GLU 106 CO 0.02 0.00 -0.04 -0.44 -0.73 0.00 0.00 179.01 177.82 3ngb h ASP 107 N 0.00 0.12 -0.51 1.04 5.19 -1.00 0.21 116.42 121.48 3ngb h ASP 107 Ca -0.00 -0.47 -0.07 0.00 -0.62 0.00 0.00 57.03 55.87 3ngb h ASP 107 Cb 0.01 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.46 3ngb h ASP 107 CO 0.00 0.57 0.05 0.58 -3.12 0.00 0.00 179.24 177.32 3ngb h VAL 108 N -0.32 1.26 -0.55 -1.35 2.07 -0.07 -0.27 116.25 117.02 3ngb h VAL 108 Ca 0.01 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.54 3ngb h VAL 108 Cb 0.53 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3ngb h VAL 108 CO 0.01 0.35 0.35 0.40 0.02 0.00 0.00 177.57 178.71 3ngb h ILE 109 N 0.74 1.15 -0.80 4.57 2.04 -0.48 -1.39 117.51 123.34 3ngb h ILE 109 Ca 0.15 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.71 3ngb h ILE 109 Cb 0.44 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3ngb h ILE 109 CO 0.02 0.15 0.53 -1.28 0.00 0.00 0.00 178.15 177.57 3ngb h SER 110 N 0.75 0.92 -0.27 1.72 0.87 -0.70 -0.66 113.55 116.18 3ngb h SER 110 Ca 0.20 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 3ngb h SER 110 Cb -0.05 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 3ngb h SER 110 CO -0.04 0.66 -0.04 0.25 -0.53 0.00 0.00 176.83 177.13 3ngb h LEU 111 N 1.08 0.60 0.04 2.23 6.46 -0.63 -3.06 115.31 122.03 3ngb h LEU 111 Ca 0.29 -0.14 -0.16 0.00 -0.12 0.00 0.00 57.88 57.75 3ngb h LEU 111 Cb -0.12 -0.16 0.02 0.00 -0.73 0.00 0.00 40.66 39.66 3ngb h LEU 111 CO -0.06 0.70 -0.67 -0.50 -0.62 0.00 0.00 178.44 177.29 3ngb h TRP 112 N 0.59 0.60 0.00 1.25 4.06 -0.89 -2.95 115.95 118.60 3ngb h TRP 112 Ca 0.12 -0.35 0.00 0.00 2.06 0.00 0.00 58.89 60.71 3ngb h TRP 112 Cb 0.43 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 3ngb h TRP 112 CO 0.02 1.19 0.00 -0.25 -3.56 0.00 0.00 178.44 175.84 3ngb n ASP 113 N -4.19 0.00 -0.22 -3.49 10.43 -0.29 -1.70 116.55 117.10 3ngb n ASP 113 Ca -0.11 -0.41 0.03 0.00 2.57 0.00 0.00 54.79 56.87 3ngb n ASP 113 Cb 0.72 -0.05 0.05 0.00 1.84 0.00 0.00 41.12 43.67 3ngb n ASP 113 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ngb n GLN 114 N -1.05 0.80 0.07 -1.24 10.64 -1.16 -4.90 117.38 120.55 3ngb n GLN 114 Ca 0.11 -1.52 0.00 0.00 -1.83 0.00 0.00 57.00 53.76 3ngb n GLN 114 Cb 0.07 -0.90 0.00 0.00 -0.86 0.00 0.00 30.24 28.55 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 -0.55 0.27 -4.62 2.61 7.64 -0.70 -5.01 113.62 113.27 3ngb n SER 115 Ca 0.05 0.24 -0.43 0.00 1.01 0.00 0.00 58.87 59.74 3ngb n SER 115 Cb 0.60 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.83 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 -6.38 3.73 -0.59 -3.43 2.01 -0.69 -4.96 118.68 108.37 3ngb s LEU 116 Ca 0.00 1.49 -0.06 0.00 0.01 0.00 0.00 54.13 55.56 3ngb s LEU 116 Cb 0.00 -3.53 0.15 0.00 0.01 0.00 0.00 46.19 42.82 3ngb s LEU 116 CO 0.00 -1.45 0.44 -1.10 1.01 0.00 0.00 176.35 175.25 3ngb s GLN 117 N 5.10 2.64 0.36 1.70 -0.21 -1.26 -4.77 119.66 123.23 3ngb s GLN 117 Ca 0.75 -2.23 -0.28 0.00 0.02 0.00 0.00 55.36 53.62 3ngb s GLN 117 Cb -0.24 -3.88 -0.10 0.00 1.00 0.00 0.00 33.01 29.79 3ngb s GLN 117 CO 0.32 -1.19 1.36 -2.14 -2.12 0.00 0.00 175.29 171.52 3ngb s PRO 118 N 0.49 4.19 0.19 2.91 0.02 -1.26 -4.28 135.00 137.26 3ngb s PRO 118 Ca 0.13 2.31 -0.10 0.00 0.02 0.00 0.00 61.00 63.36 3ngb s PRO 118 Cb -0.20 -2.97 0.10 0.00 0.02 0.00 0.00 34.50 31.45 3ngb s PRO 118 CO -0.04 -0.36 1.74 0.00 -0.33 0.00 0.00 177.00 178.02 3ngb s VAL 120 N -5.54 0.06 -0.26 0.00 0.11 -1.24 -2.11 120.40 111.42 3ngb s VAL 120 Ca -0.13 -0.52 -0.03 0.00 -2.93 0.00 0.00 61.98 58.37 3ngb s VAL 120 Cb 0.14 -0.42 0.09 0.00 -1.53 0.00 0.00 36.38 34.66 3ngb s VAL 120 CO 0.81 -0.29 0.10 -0.75 -3.33 0.00 0.00 175.10 171.64 3ngb s LYS 121 N -1.07 0.36 0.07 1.54 2.20 -0.04 -1.30 119.74 121.51 3ngb s LYS 121 Ca -0.12 -0.57 -0.25 0.00 -0.36 0.00 0.00 55.97 54.68 3ngb s LYS 121 Cb -0.06 -1.61 -0.06 0.00 -1.51 0.00 0.00 37.83 34.59 3ngb s LYS 121 CO 0.02 -0.90 0.77 -0.51 -0.36 0.00 0.00 175.35 174.37 3ngb s LEU 122 N 1.96 4.49 -0.32 5.43 1.43 -0.77 -2.35 118.68 128.54 3ngb s LEU 122 Ca 0.06 1.49 0.06 0.00 -1.03 0.00 0.00 54.13 54.72 3ngb s LEU 122 Cb -0.16 -3.24 0.19 0.00 0.03 0.00 0.00 46.19 43.00 3ngb s LEU 122 CO -0.25 0.06 0.57 0.28 0.23 0.00 0.00 176.35 177.24 3ngb s THR 123 N -0.33 -0.93 0.00 5.49 -1.32 -0.79 -1.23 115.64 116.53 3ngb s THR 123 Ca 0.38 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.78 3ngb s THR 123 Cb -0.21 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 3ngb s THR 123 CO 0.24 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.20 3ngb n GLY 124 N 5.15 0.92 0.78 6.08 0.00 -1.26 -2.68 105.19 114.18 3ngb n GLY 124 Ca 0.06 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 45.38 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 1.01 3.79 -0.02 0.00 -1.26 -4.90 105.19 103.82 3ngb n GLY 198 Ca 0.00 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.88 5.77 -0.04 1.61 0.15 -1.09 -5.11 113.70 114.11 3ngb s SER 199 Ca 0.25 0.21 0.01 0.00 0.70 0.00 0.00 55.95 57.12 3ngb s SER 199 Cb 0.14 -1.70 0.02 0.00 -1.71 0.00 0.00 66.02 62.78 3ngb s SER 199 CO 0.15 0.31 -0.03 0.54 1.20 0.00 0.00 173.24 175.40 3ngb s VAL 200 N -1.14 0.44 -0.20 4.45 0.11 -1.26 -1.89 120.40 120.91 3ngb s VAL 200 Ca 0.21 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.20 3ngb s VAL 200 Cb -0.12 -0.48 0.04 0.00 -1.53 0.00 0.00 36.38 34.29 3ngb s VAL 200 CO 0.11 0.20 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.36 3ngb s ILE 201 N 0.94 1.62 -0.19 7.04 1.09 -0.99 -4.97 121.20 125.75 3ngb s ILE 201 Ca -0.11 -1.00 -0.06 0.00 -1.10 0.00 0.00 60.65 58.38 3ngb s ILE 201 Cb -0.14 -1.71 -0.03 0.00 -1.06 0.00 0.00 42.46 39.52 3ngb s ILE 201 CO -0.00 0.16 0.02 -0.54 -0.10 0.00 0.00 174.94 174.47 3ngb s LYS 202 N 1.40 3.75 0.27 2.79 1.02 -1.26 -0.86 119.74 126.85 3ngb s LYS 202 Ca -0.01 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 55.54 3ngb s LYS 202 Cb -0.16 -3.10 -0.01 0.00 -0.52 0.00 0.00 37.83 34.03 3ngb s LYS 202 CO -0.08 0.14 0.30 0.00 -0.92 0.00 0.00 175.35 174.79 3ngb n GLN 203 N 3.90 0.43 -1.65 1.68 10.64 -0.90 -5.01 117.38 126.48 3ngb n GLN 203 Ca -0.17 -2.43 -0.38 0.00 -1.83 0.00 0.00 57.00 52.19 3ngb n GLN 203 Cb 0.52 2.15 0.05 0.00 -0.86 0.00 0.00 30.24 32.10 3ngb n GLN 203 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3ngb n ALA 204 N -1.19 0.48 -2.92 2.61 0.00 -1.26 -4.44 120.51 113.80 3ngb n ALA 204 Ca -0.10 0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 3ngb n ALA 204 Cb 0.47 -2.17 -0.01 0.00 0.00 0.00 0.00 19.45 17.74 3ngb n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ngb s PRO 206 N -2.90 4.64 0.60 0.00 0.02 -1.26 -4.74 135.00 131.36 3ngb s PRO 206 Ca 0.38 1.33 -0.19 0.00 0.02 0.00 0.00 61.00 62.53 3ngb s PRO 206 Cb 0.38 -2.99 -0.03 0.00 0.02 0.00 0.00 34.50 31.88 3ngb s PRO 206 CO -0.06 0.38 1.25 0.15 -0.33 0.00 0.00 177.00 178.40 3ngb s LYS 207 N -1.71 2.91 0.27 5.54 3.01 -1.26 -4.82 119.74 123.67 3ngb s LYS 207 Ca 0.46 1.95 0.04 0.00 -1.01 0.00 0.00 55.97 57.41 3ngb s LYS 207 Cb -0.21 -1.97 -0.06 0.00 -1.01 0.00 0.00 37.83 34.58 3ngb s LYS 207 CO 0.26 -1.29 0.02 0.96 0.51 0.00 0.00 175.35 175.81 3ngb s ILE 208 N -1.49 1.13 -0.27 2.17 -4.36 -1.26 -5.12 121.20 112.00 3ngb s ILE 208 Ca 0.78 -2.03 -0.16 0.00 -0.26 0.00 0.00 60.65 58.97 3ngb s ILE 208 Cb -0.34 -2.54 -0.03 0.00 1.25 0.00 0.00 42.46 40.80 3ngb s ILE 208 CO 0.37 -0.18 0.42 -0.55 0.24 0.00 0.00 174.94 175.24 3ngb s SER 209 N -3.39 6.31 -0.19 4.36 0.15 -1.26 -4.71 113.70 114.97 3ngb s SER 209 Ca 0.32 0.34 -0.01 0.00 0.70 0.00 0.00 55.95 57.30 3ngb s SER 209 Cb 0.07 -2.24 0.05 0.00 -1.71 0.00 0.00 66.02 62.19 3ngb s SER 209 CO 0.12 -0.23 -0.04 0.12 1.20 0.00 0.00 173.24 174.41 3ngb s PHE 210 N 2.16 1.80 -0.34 3.44 5.36 -1.26 -1.04 117.98 128.10 3ngb s PHE 210 Ca 0.17 -1.26 0.07 0.00 -0.96 0.00 0.00 56.93 54.94 3ngb s PHE 210 Cb -0.16 -1.35 0.19 0.00 -0.34 0.00 0.00 43.02 41.36 3ngb s PHE 210 CO 0.10 -0.67 0.60 0.34 -1.46 0.00 0.00 175.22 174.13 3ngb s ASP 211 N 1.60 -1.48 0.24 6.13 3.68 -1.26 -3.82 116.67 121.76 3ngb s ASP 211 Ca -0.02 -0.25 -0.30 0.00 2.13 0.00 0.00 52.55 54.12 3ngb s ASP 211 Cb -0.17 1.95 -0.15 0.00 -1.45 0.00 0.00 42.92 43.11 3ngb s ASP 211 CO -0.07 -0.25 1.01 -2.65 0.13 0.00 0.00 175.17 173.34 3ngb n PRO 212 N 5.00 1.17 -4.37 4.34 -0.02 -1.26 -4.76 135.00 135.10 3ngb n PRO 212 Ca 0.07 0.41 -0.26 0.00 -2.02 0.00 0.00 63.50 61.71 3ngb n PRO 212 Cb 0.55 -1.79 -0.10 0.00 -0.02 0.00 0.00 33.50 32.14 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 -0.78 2.80 0.11 4.25 -4.36 -1.26 -4.95 121.20 117.03 3ngb s ILE 213 Ca 0.64 -1.97 -0.31 0.00 -0.26 0.00 0.00 60.65 58.74 3ngb s ILE 213 Cb -0.77 -2.41 -0.09 0.00 1.25 0.00 0.00 42.46 40.44 3ngb s ILE 213 CO 0.57 -0.21 1.67 -2.84 0.24 0.00 0.00 174.94 174.37 3ngb s PRO 214 N -3.04 4.19 -0.19 0.37 0.02 -1.26 -4.36 135.00 130.73 3ngb s PRO 214 Ca 0.26 2.41 -0.01 0.00 0.02 0.00 0.00 61.00 63.68 3ngb s PRO 214 Cb -0.07 -3.44 0.01 0.00 0.02 0.00 0.00 34.50 31.01 3ngb s PRO 214 CO 0.14 -0.72 -0.15 0.42 -0.33 0.00 0.00 177.00 176.36 3ngb s ILE 215 N 2.16 2.53 0.21 2.83 1.09 -0.56 -4.60 121.20 124.85 3ngb s ILE 215 Ca 0.74 -0.78 -0.15 0.00 -1.10 0.00 0.00 60.65 59.36 3ngb s ILE 215 Cb -0.43 -2.10 -0.08 0.00 -1.06 0.00 0.00 42.46 38.80 3ngb s ILE 215 CO 0.33 0.50 0.63 -1.00 -0.10 0.00 0.00 174.94 175.30 3ngb s HIS 216 N 1.32 3.54 -0.12 3.97 3.76 0.09 -2.97 115.29 124.87 3ngb s HIS 216 Ca 0.05 1.14 0.01 0.00 -0.15 0.00 0.00 55.06 56.11 3ngb s HIS 216 Cb -0.14 -2.44 -0.01 0.00 1.11 0.00 0.00 32.58 31.10 3ngb s HIS 216 CO -0.09 0.31 -0.17 0.71 -0.85 0.00 0.00 174.74 174.66 3ngb s TYR 217 N -1.64 2.73 0.28 1.40 2.02 -1.26 -1.09 117.35 119.79 3ngb s TYR 217 Ca 0.44 -0.81 0.08 0.00 -0.37 0.00 0.00 57.07 56.40 3ngb s TYR 217 Cb -0.14 -1.81 -0.06 0.00 -0.40 0.00 0.00 41.96 39.56 3ngb s TYR 217 CO 0.20 -0.30 -0.08 0.00 -1.57 0.00 0.00 175.55 173.79 3ngb s THR 219 N -2.91 4.61 1.11 0.00 -4.23 -1.00 -1.28 115.64 111.94 3ngb s THR 219 Ca 0.29 -0.58 -0.18 0.00 -1.18 0.00 0.00 61.69 60.04 3ngb s THR 219 Cb 0.02 -3.16 0.25 0.00 1.34 0.00 0.00 72.50 70.96 3ngb s THR 219 CO 0.12 0.25 1.18 -2.84 -0.54 0.00 0.00 174.62 172.79 3ngb s PRO 220 N -2.03 -0.48 0.43 3.99 0.02 -1.26 -4.90 135.00 130.76 3ngb s PRO 220 Ca 0.26 -0.15 -0.26 0.00 0.02 0.00 0.00 61.00 60.87 3ngb s PRO 220 Cb -0.12 -1.69 -0.09 0.00 0.02 0.00 0.00 34.50 32.62 3ngb s PRO 220 CO 0.18 -3.21 1.41 0.00 -0.33 0.00 0.00 177.00 175.05 3ngb s ALA 221 N -3.30 3.30 0.00 -1.55 0.00 -1.26 -2.57 121.76 116.37 3ngb s ALA 221 Ca 0.71 1.43 0.00 0.00 0.00 0.00 0.00 51.96 54.11 3ngb s ALA 221 Cb -0.08 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3ngb s ALA 221 CO 0.55 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.63 3ngb n GLY 222 N 0.58 1.91 3.57 0.00 0.00 -1.26 -5.03 105.19 104.96 3ngb n GLY 222 Ca 0.04 0.00 -0.26 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 -2.35 2.44 0.02 1.61 2.02 -1.06 -1.08 117.35 118.95 3ngb s TYR 223 Ca 0.00 -0.50 -0.21 0.00 -0.37 0.00 0.00 57.07 55.99 3ngb s TYR 223 Cb 0.00 -1.44 0.04 0.00 -0.40 0.00 0.00 41.96 40.17 3ngb s TYR 223 CO 0.00 0.55 0.47 0.54 -1.57 0.00 0.00 175.55 175.54 3ngb s VAL 224 N -2.60 0.04 -0.18 0.71 0.11 -0.42 -4.76 120.40 113.29 3ngb s VAL 224 Ca 0.33 -0.32 -0.12 0.00 -2.93 0.00 0.00 61.98 58.93 3ngb s VAL 224 Cb 0.03 -0.91 -0.05 0.00 -1.53 0.00 0.00 36.38 33.92 3ngb s VAL 224 CO 0.17 -0.18 0.23 -0.63 -3.33 0.00 0.00 175.10 171.37 3ngb s ILE 225 N -2.06 5.34 -0.01 7.04 1.01 -0.70 -1.59 121.20 130.24 3ngb s ILE 225 Ca -0.08 0.41 -0.08 0.00 0.00 0.00 0.00 60.65 60.91 3ngb s ILE 225 Cb -0.01 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 3ngb s ILE 225 CO 0.01 0.39 0.26 -0.76 0.00 0.00 0.00 174.94 174.85 3ngb s LEU 226 N 0.53 4.38 -0.08 2.97 1.43 0.13 -1.08 118.68 126.96 3ngb s LEU 226 Ca 0.13 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 3ngb s LEU 226 Cb -0.12 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.54 3ngb s LEU 226 CO 0.02 0.28 -0.10 -0.75 0.23 0.00 0.00 176.35 176.04 3ngb s LYS 227 N -1.57 1.53 -0.16 1.70 2.20 0.08 -1.17 119.74 122.35 3ngb s LYS 227 Ca 0.25 -0.31 -0.25 0.00 -0.36 0.00 0.00 55.97 55.30 3ngb s LYS 227 Cb -0.13 -1.41 -0.02 0.00 -1.51 0.00 0.00 37.83 34.75 3ngb s LYS 227 CO 0.14 -0.10 0.82 0.00 -0.36 0.00 0.00 175.35 175.85 3ngb n ASN 229 N 5.10 2.02 -4.67 0.00 3.02 -0.25 -4.91 115.26 115.56 3ngb n ASN 229 Ca 0.04 -1.51 -0.46 0.00 -0.03 0.00 0.00 54.58 52.62 3ngb n ASN 229 Cb 0.49 0.27 -0.04 0.00 -0.61 0.00 0.00 39.78 39.89 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 0.37 3.27 -0.06 6.41 8.00 -1.26 -4.89 116.55 128.38 3ngb n ASP 230 Ca 0.08 1.05 -0.10 0.00 0.71 0.00 0.00 54.79 56.54 3ngb n ASP 230 Cb 0.39 -1.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.04 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 6.94 0.32 -0.79 -1.24 1.79 -1.98 -3.10 116.57 118.50 3ngb h LYS 231 Ca -0.46 -0.02 -0.47 0.00 -2.18 0.00 0.00 60.65 57.52 3ngb h LYS 231 Cb 1.25 -0.07 -0.26 0.00 -1.58 0.00 0.00 32.23 31.57 3ngb h LYS 231 CO 0.91 0.23 0.35 0.09 -1.08 0.00 0.00 179.45 179.94 3ngb n ASN 232 N -4.91 4.54 -4.69 0.86 3.02 -1.26 -4.12 115.26 108.69 3ngb n ASN 232 Ca -0.03 -3.73 -0.42 0.00 -0.03 0.00 0.00 54.58 50.38 3ngb n ASN 232 Cb 0.04 -0.77 -0.03 0.00 -0.61 0.00 0.00 39.78 38.41 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 -3.46 2.88 -1.44 3.10 5.36 -1.18 -4.92 117.98 118.33 3ngb s PHE 233 Ca 0.55 0.78 0.26 0.00 -0.96 0.00 0.00 56.93 57.56 3ngb s PHE 233 Cb 0.46 -3.71 0.70 0.00 -0.34 0.00 0.00 43.02 40.13 3ngb s PHE 233 CO 0.04 -2.64 1.54 0.27 -1.46 0.00 0.00 175.22 172.97 3ngb n ASN 234 N 5.07 0.76 0.00 6.13 0.23 -1.26 -4.94 115.26 121.25 3ngb n ASN 234 Ca 0.13 -0.59 0.00 0.00 -0.53 0.00 0.00 54.58 53.59 3ngb n ASN 234 Cb 0.43 0.15 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 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 1.40 1.36 3.23 4.83 0.00 -1.26 -4.67 105.19 110.09 3ngb n GLY 235 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.55 1.36 0.00 2.61 -4.23 -1.26 -0.79 115.64 111.78 3ngb s THR 236 Ca 0.00 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 3ngb s THR 236 Cb 0.00 -1.41 0.00 0.00 1.34 0.00 0.00 72.50 72.43 3ngb s THR 236 CO 0.00 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 3ngb n GLY 237 N 0.85 -1.56 3.76 3.99 0.00 -0.77 -4.94 105.19 106.52 3ngb n GLY 237 Ca -0.18 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.29 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 -0.24 4.40 -0.21 1.61 0.02 -1.26 -2.09 135.00 137.22 3ngb s PRO 238 Ca 0.00 2.11 0.01 0.00 0.02 0.00 0.00 61.00 63.15 3ngb s PRO 238 Cb 0.00 -3.13 0.03 0.00 0.02 0.00 0.00 34.50 31.42 3ngb s PRO 238 CO 0.00 -0.16 -0.16 0.00 -0.33 0.00 0.00 177.00 176.35 3ngb n LYS 240 N 4.57 2.29 -3.31 0.00 5.02 -1.26 -3.42 118.16 122.05 3ngb n LYS 240 Ca -0.18 -1.96 -0.25 0.00 -2.02 0.00 0.00 58.31 53.89 3ngb n LYS 240 Cb 0.47 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 33.93 3ngb n LYS 240 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3ngb n ASN 241 N 1.15 0.97 -4.85 4.39 2.85 -1.26 -4.94 115.26 113.57 3ngb n ASN 241 Ca 0.19 -2.83 -0.37 0.00 -0.11 0.00 0.00 54.58 51.46 3ngb n ASN 241 Cb 0.51 -0.64 -0.06 0.00 1.24 0.00 0.00 39.78 40.83 3ngb n ASN 241 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3ngb s VAL 242 N -1.28 5.28 0.22 3.44 1.01 -1.26 -1.09 120.40 126.72 3ngb s VAL 242 Ca 0.35 0.52 0.05 0.00 0.00 0.00 0.00 61.98 62.90 3ngb s VAL 242 Cb 0.13 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 3ngb s VAL 242 CO -0.11 0.59 -0.07 -0.94 0.00 0.00 0.00 175.10 174.58 3ngb s SER 243 N -0.98 2.23 -0.16 3.32 1.04 -0.53 -1.57 113.70 117.06 3ngb s SER 243 Ca 0.19 -1.13 -0.01 0.00 0.48 0.00 0.00 55.95 55.47 3ngb s SER 243 Cb -0.14 -0.07 -0.01 0.00 0.10 0.00 0.00 66.02 65.89 3ngb s SER 243 CO 0.08 -0.36 -0.10 -0.55 0.98 0.00 0.00 173.24 173.29 3ngb s SER 244 N -3.32 4.13 0.11 7.02 0.15 0.17 -0.75 113.70 121.21 3ngb s SER 244 Ca 0.25 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.60 3ngb s SER 244 Cb 0.03 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.65 3ngb s SER 244 CO 0.08 0.11 -0.09 0.68 1.20 0.00 0.00 173.24 175.22 3ngb s VAL 245 N 0.67 0.94 -0.13 4.45 -7.23 -0.24 -0.41 120.40 118.45 3ngb s VAL 245 Ca -0.05 -1.77 0.20 0.00 -1.81 0.00 0.00 61.98 58.55 3ngb s VAL 245 Cb -0.15 -1.51 -0.19 0.00 0.56 0.00 0.00 36.38 35.09 3ngb s VAL 245 CO 0.02 -0.65 0.65 0.00 -0.31 0.00 0.00 175.10 174.81 3ngb n GLN 246 N 0.30 0.64 -3.98 4.82 3.00 -1.26 -1.71 117.38 119.20 3ngb n GLN 246 Ca -0.14 0.01 -0.10 0.00 -0.01 0.00 0.00 57.00 56.76 3ngb n GLN 246 Cb 0.59 -1.67 -0.11 0.00 0.00 0.00 0.00 30.24 29.04 3ngb n GLN 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ngb n THR 248 N 1.77 0.00 -3.24 0.00 -2.24 0.13 -4.94 114.28 105.77 3ngb n THR 248 Ca -0.22 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.40 3ngb n THR 248 Cb 0.56 -1.50 0.04 0.00 -2.10 0.00 0.00 70.33 67.33 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 -0.90 -2.00 -2.08 4.78 1.44 -1.26 -4.66 115.22 110.54 3ngb n HIS 249 Ca 0.00 -1.63 -0.35 0.00 -2.01 0.00 0.00 57.72 53.73 3ngb n HIS 249 Cb 0.00 -0.39 -0.04 0.00 0.12 0.00 0.00 29.99 29.68 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 -3.85 0.24 -0.32 -1.39 0.00 -1.26 -4.21 107.32 96.54 3ngb s GLY 250 Ca 0.39 -0.96 -0.11 0.00 0.00 0.00 0.00 44.72 44.04 3ngb s GLY 250 CO 0.25 3.39 0.20 -0.42 0.00 0.00 0.00 173.10 176.52 3ngb s ILE 251 N 9.13 5.01 -0.03 0.90 1.01 -1.16 -4.75 121.20 131.31 3ngb s ILE 251 Ca 0.66 -0.23 -0.28 0.00 0.00 0.00 0.00 60.65 60.80 3ngb s ILE 251 Cb -0.10 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 3ngb s ILE 251 CO 0.14 0.07 0.89 -0.54 0.00 0.00 0.00 174.94 175.50 3ngb s LYS 252 N 1.69 4.51 -1.00 2.79 1.02 -1.26 -1.50 119.74 125.97 3ngb s LYS 252 Ca 0.06 1.24 -0.08 0.00 0.02 0.00 0.00 55.97 57.21 3ngb s LYS 252 Cb -0.17 -3.47 -0.06 0.00 -0.52 0.00 0.00 37.83 33.61 3ngb s LYS 252 CO 0.09 -0.04 2.20 -2.30 -0.92 0.00 0.00 175.35 174.37 3ngb n PRO 253 N 3.98 2.24 -3.06 -1.68 -0.02 -1.26 -4.88 135.00 130.33 3ngb n PRO 253 Ca 0.04 -1.62 -0.43 0.00 -2.02 0.00 0.00 63.50 59.47 3ngb n PRO 253 Cb 0.51 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 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 3.42 4.73 0.00 -1.45 1.01 -1.26 -4.96 120.40 121.90 3ngb s VAL 254 Ca 0.45 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.16 3ngb s VAL 254 Cb 0.12 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 3ngb s VAL 254 CO -0.02 -0.79 0.71 0.68 0.00 0.00 0.00 175.10 175.68 3ngb s VAL 255 N 3.04 4.86 0.14 2.92 -7.23 -1.26 -4.87 120.40 118.00 3ngb s VAL 255 Ca 0.22 1.50 -0.25 0.00 -1.81 0.00 0.00 61.98 61.64 3ngb s VAL 255 Cb -0.15 -4.06 0.07 0.00 0.56 0.00 0.00 36.38 32.80 3ngb s VAL 255 CO 0.17 0.34 0.99 -0.94 -0.31 0.00 0.00 175.10 175.35 3ngb s SER 256 N 0.17 -0.15 0.12 4.85 1.04 -1.26 -4.16 113.70 114.31 3ngb s SER 256 Ca 0.37 -0.40 0.06 0.00 0.48 0.00 0.00 55.95 56.45 3ngb s SER 256 Cb -0.19 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 3ngb s SER 256 CO 0.20 -0.86 -0.14 0.42 0.98 0.00 0.00 173.24 173.85 3ngb s THR 257 N -3.14 1.33 0.00 2.02 -4.23 -0.88 -4.85 115.64 105.89 3ngb s THR 257 Ca 0.13 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 3ngb s THR 257 Cb -0.01 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.29 3ngb s THR 257 CO 0.02 -0.43 0.00 0.00 -0.54 0.00 0.00 174.62 173.67 3ngb n GLN 258 N 0.51 0.00 -4.85 3.99 6.02 -0.92 -4.13 117.38 118.00 3ngb n GLN 258 Ca -0.15 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.51 3ngb n GLN 258 Cb 0.57 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.69 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 2.66 -0.32 1.08 1.02 -1.26 -1.01 118.68 120.84 3ngb s LEU 259 Ca 0.00 -0.32 -0.19 0.00 0.02 0.00 0.00 54.13 53.65 3ngb s LEU 259 Cb 0.00 -1.58 -0.01 0.00 0.02 0.00 0.00 46.19 44.62 3ngb s LEU 259 CO 0.00 0.21 0.55 -0.76 0.02 0.00 0.00 176.35 176.37 3ngb s LEU 260 N 0.07 4.22 0.08 1.79 1.43 -0.76 -4.76 118.68 120.74 3ngb s LEU 260 Ca -0.06 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 3ngb s LEU 260 Cb -0.15 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 3ngb s LEU 260 CO 0.05 -0.45 0.09 -0.76 0.23 0.00 0.00 176.35 175.51 3ngb s LEU 261 N 2.45 3.86 -1.40 1.79 1.02 -1.26 -1.26 118.68 123.88 3ngb s LEU 261 Ca 0.21 0.02 -0.04 0.00 0.02 0.00 0.00 54.13 54.34 3ngb s LEU 261 Cb -0.15 -2.52 0.03 0.00 0.02 0.00 0.00 46.19 43.56 3ngb s LEU 261 CO 0.12 0.17 0.70 0.59 0.02 0.00 0.00 176.35 177.96 3ngb n ASN 262 N 0.46 -1.85 -2.60 2.29 4.13 0.31 -4.88 115.26 113.11 3ngb n ASN 262 Ca -0.08 -0.86 -0.06 0.00 1.68 0.00 0.00 54.58 55.25 3ngb n ASN 262 Cb 0.52 -3.73 -0.00 0.00 -1.54 0.00 0.00 39.78 35.03 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 -1.69 3.30 3.86 7.41 0.00 -1.26 -4.67 105.19 112.15 3ngb n GLY 263 Ca -0.21 -2.21 -0.34 0.00 0.00 0.00 0.00 46.02 43.26 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 -1.67 6.72 0.45 1.61 1.04 -1.26 -4.89 113.70 115.70 3ngb s SER 264 Ca 0.05 0.98 -0.04 0.00 0.48 0.00 0.00 55.95 57.41 3ngb s SER 264 Cb -0.00 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 3ngb s SER 264 CO 0.03 0.04 0.74 -0.76 0.98 0.00 0.00 173.24 174.27 3ngb s LEU 265 N -2.29 3.71 0.20 2.42 1.43 -1.26 -4.93 118.68 117.96 3ngb s LEU 265 Ca 0.41 0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 54.06 3ngb s LEU 265 Cb -0.13 -3.78 -0.08 0.00 0.03 0.00 0.00 46.19 42.22 3ngb s LEU 265 CO 0.20 -0.52 1.21 0.00 0.23 0.00 0.00 176.35 177.47 3ngb s ALA 266 N -2.64 3.45 0.04 4.21 0.00 -0.53 -4.98 121.76 121.31 3ngb s ALA 266 Ca 0.46 0.98 -0.17 0.00 0.00 0.00 0.00 51.96 53.23 3ngb s ALA 266 Cb -0.10 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.52 3ngb s ALA 266 CO 0.43 -0.38 1.27 0.93 0.00 0.00 0.00 175.76 178.00 3ngb h GLU 267 N 5.01 -0.46 0.00 0.00 4.39 -1.91 -3.42 114.58 118.19 3ngb h GLU 267 Ca -0.45 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.28 3ngb h GLU 267 Cb 1.21 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3ngb h GLU 267 CO 0.74 -0.31 0.00 -1.91 -1.16 0.00 0.00 179.01 176.37 3ngb n GLU 268 N -3.83 0.00 -3.71 2.33 2.13 -1.26 -5.06 120.64 111.25 3ngb n GLU 268 Ca -0.06 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.55 3ngb n GLU 268 Cb 0.22 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.90 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 0.15 2.65 0.35 5.31 -1.05 -1.26 -4.87 118.70 119.97 3ngb s GLU 269 Ca 0.00 -1.39 -0.28 0.00 -0.15 0.00 0.00 54.97 53.15 3ngb s GLU 269 Cb 0.00 -2.44 -0.12 0.00 -0.44 0.00 0.00 34.13 31.13 3ngb s GLU 269 CO 0.00 -0.02 1.37 -0.89 0.95 0.00 0.00 175.26 176.67 3ngb n ILE 270 N -1.45 1.92 -4.82 1.83 5.41 -1.26 -4.79 119.36 116.20 3ngb n ILE 270 Ca 0.00 -0.48 -0.26 0.00 1.00 0.00 0.00 62.75 63.01 3ngb n ILE 270 Cb 0.60 -1.72 -0.16 0.00 -0.71 0.00 0.00 39.64 37.65 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 -1.02 1.43 -0.20 1.39 1.01 -1.05 -5.01 121.20 117.75 3ngb s ILE 271 Ca 0.55 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 3ngb s ILE 271 Cb -0.54 -1.24 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 3ngb s ILE 271 CO 0.62 0.41 0.25 -0.63 0.00 0.00 0.00 174.94 175.59 3ngb s ILE 272 N 0.19 5.32 -0.13 2.92 -1.09 -1.26 -1.30 121.20 125.84 3ngb s ILE 272 Ca -0.07 0.40 0.02 0.00 -2.23 0.00 0.00 60.65 58.77 3ngb s ILE 272 Cb -0.13 -3.58 0.01 0.00 -1.58 0.00 0.00 42.46 37.17 3ngb s ILE 272 CO 0.03 0.35 -0.21 -0.13 -1.23 0.00 0.00 174.94 173.75 3ngb s ARG 273 N 0.83 3.06 -0.16 2.79 0.52 -0.69 -4.92 118.95 120.37 3ngb s ARG 273 Ca 0.13 -0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 54.21 3ngb s ARG 273 Cb -0.13 -2.44 0.09 0.00 0.52 0.00 0.00 34.95 32.99 3ngb s ARG 273 CO 0.04 0.03 0.81 0.45 0.02 0.00 0.00 175.30 176.65 3ngb s SER 274 N 0.71 -0.59 0.55 0.23 0.15 -1.26 -0.66 113.70 112.83 3ngb s SER 274 Ca -0.09 0.85 0.33 0.00 0.70 0.00 0.00 55.95 57.74 3ngb s SER 274 Cb -0.16 0.76 1.37 0.00 -1.71 0.00 0.00 66.02 66.28 3ngb s SER 274 CO 0.01 -0.40 1.99 -0.08 1.20 0.00 0.00 173.24 175.96 3ngb h GLU 275 N 3.56 0.00 -0.28 5.44 4.81 -1.94 -3.41 114.58 122.77 3ngb h GLU 275 Ca -0.26 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.15 3ngb h GLU 275 Cb 1.15 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.35 3ngb h GLU 275 CO 0.25 0.02 -0.06 -0.80 -0.73 0.00 0.00 179.01 177.69 3ngb s ASN 276 N -5.72 -0.44 0.65 1.04 0.01 -1.26 -5.03 114.94 104.18 3ngb s ASN 276 Ca 0.01 -0.04 0.34 0.00 -0.71 0.00 0.00 52.86 52.46 3ngb s ASN 276 Cb 0.09 1.04 1.85 0.00 0.41 0.00 0.00 41.25 44.65 3ngb s ASN 276 CO 0.55 -0.07 2.08 -0.07 -1.51 0.00 0.00 177.10 178.08 3ngb h LEU 277 N 6.71 0.00 0.00 0.60 3.38 -1.96 0.23 115.31 124.26 3ngb h LEU 277 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3ngb h LEU 277 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3ngb h LEU 277 CO -0.08 0.00 -0.14 0.35 0.09 0.00 0.00 178.44 178.66 3ngb n THR 278 N -3.17 0.27 -3.41 0.22 -2.24 -1.26 -4.61 114.28 100.08 3ngb n THR 278 Ca -0.01 -0.14 -0.44 0.00 -2.27 0.00 0.00 64.05 61.19 3ngb n THR 278 Cb 0.30 -0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 68.06 3ngb n THR 278 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ngb s ASN 279 N -3.73 6.06 0.43 3.42 3.84 0.79 -4.95 114.94 120.81 3ngb s ASN 279 Ca 0.11 -1.53 0.29 0.00 0.21 0.00 0.00 52.86 51.95 3ngb s ASN 279 Cb 0.16 -2.15 1.56 0.00 -0.55 0.00 0.00 41.25 40.27 3ngb s ASN 279 CO 0.60 -0.70 1.90 -0.55 -2.79 0.00 0.00 177.10 175.56 3ngb h ASN 280 N 8.72 0.00 1.57 -4.21 7.08 -1.82 -1.51 115.58 125.41 3ngb h ASN 280 Ca -0.28 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 52.90 3ngb h ASN 280 Cb 1.10 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.33 3ngb h ASN 280 CO 0.91 0.00 -0.21 0.00 -2.08 0.00 0.00 177.43 176.04 3ngb h ALA 281 N 2.02 0.89 -2.58 4.14 0.00 -1.92 -3.41 119.26 118.40 3ngb h ALA 281 Ca 0.00 -0.19 -0.52 0.00 0.00 0.00 0.00 54.91 54.20 3ngb h ALA 281 Cb 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3ngb h ALA 281 CO 0.00 0.27 0.35 0.15 0.00 0.00 0.00 179.25 180.02 3ngb s LYS 282 N -3.23 4.69 0.55 0.00 -0.14 -0.57 -5.03 119.74 116.00 3ngb s LYS 282 Ca 0.04 1.43 -0.19 0.00 -1.36 0.00 0.00 55.97 55.90 3ngb s LYS 282 Cb 0.07 -3.37 -0.06 0.00 -1.68 0.00 0.00 37.83 32.79 3ngb s LYS 282 CO 0.68 0.23 1.10 0.95 -0.76 0.00 0.00 175.35 177.54 3ngb s THR 283 N -0.04 3.40 -0.15 2.17 -4.23 -1.26 -4.83 115.64 110.70 3ngb s THR 283 Ca 0.46 0.82 -0.01 0.00 -1.18 0.00 0.00 61.69 61.79 3ngb s THR 283 Cb -0.23 -3.32 -0.01 0.00 1.34 0.00 0.00 72.50 70.28 3ngb s THR 283 CO 0.30 -0.24 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.39 3ngb s ILE 284 N -1.96 3.08 -0.43 2.99 1.01 -0.62 -4.55 121.20 120.72 3ngb s ILE 284 Ca 0.70 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 60.64 3ngb s ILE 284 Cb -0.21 -2.31 0.11 0.00 0.01 0.00 0.00 42.46 40.06 3ngb s ILE 284 CO 0.28 0.51 0.26 -0.63 0.00 0.00 0.00 174.94 175.36 3ngb s ILE 285 N 0.54 3.76 -0.15 2.92 1.01 0.17 -0.83 121.20 128.61 3ngb s ILE 285 Ca -0.08 -1.83 -0.29 0.00 0.00 0.00 0.00 60.65 58.45 3ngb s ILE 285 Cb -0.16 -3.48 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 3ngb s ILE 285 CO 0.04 -0.67 1.05 -0.69 0.00 0.00 0.00 174.94 174.66 3ngb s VAL 286 N 1.27 4.68 -0.39 2.92 1.01 0.94 -1.71 120.40 129.13 3ngb s VAL 286 Ca 0.06 1.98 -0.07 0.00 0.00 0.00 0.00 61.98 63.96 3ngb s VAL 286 Cb -0.24 -4.28 0.08 0.00 0.00 0.00 0.00 36.38 31.94 3ngb s VAL 286 CO -0.02 -0.08 0.19 -2.28 0.00 0.00 0.00 175.10 172.92 3ngb s HIS 287 N 2.58 3.37 0.54 5.22 2.46 -0.42 -0.62 115.29 128.41 3ngb s HIS 287 Ca 0.47 -1.74 -0.19 0.00 0.47 0.00 0.00 55.06 54.08 3ngb s HIS 287 Cb -0.18 -2.81 -0.06 0.00 -0.13 0.00 0.00 32.58 29.40 3ngb s HIS 287 CO 0.13 -0.85 1.08 -0.51 -2.47 0.00 0.00 174.74 172.12 3ngb s LEU 288 N 1.34 3.72 0.00 8.88 1.43 -0.07 -2.54 118.68 131.44 3ngb s LEU 288 Ca 0.02 2.02 0.18 0.00 -1.03 0.00 0.00 54.13 55.33 3ngb s LEU 288 Cb -0.22 -4.56 0.20 0.00 0.03 0.00 0.00 46.19 41.64 3ngb s LEU 288 CO 0.00 -1.09 1.14 -0.46 0.23 0.00 0.00 176.35 176.18 3ngb n ASN 289 N -1.38 2.70 -3.52 2.29 6.94 -1.26 -1.45 115.26 119.58 3ngb n ASN 289 Ca 0.10 -1.81 -0.17 0.00 -0.02 0.00 0.00 54.58 52.68 3ngb n ASN 289 Cb 0.52 -0.06 -0.13 0.00 -2.36 0.00 0.00 39.78 37.75 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 -1.47 0.18 0.17 -3.83 2.20 -1.26 -4.72 119.74 111.02 3ngb s LYS 290 Ca 0.24 0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 55.85 3ngb s LYS 290 Cb 0.16 -0.99 -0.08 0.00 -1.51 0.00 0.00 37.83 35.42 3ngb s LYS 290 CO 0.24 -0.59 1.18 -1.54 -0.36 0.00 0.00 175.35 174.28 3ngb s SER 291 N 2.34 7.12 -0.23 1.43 1.04 -1.26 -4.97 113.70 119.16 3ngb s SER 291 Ca 0.06 2.19 -0.08 0.00 0.48 0.00 0.00 55.95 58.60 3ngb s SER 291 Cb -0.15 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.33 3ngb s SER 291 CO -0.11 -0.35 0.10 -0.69 0.98 0.00 0.00 173.24 173.17 3ngb s VAL 292 N -0.01 4.76 -0.04 5.02 1.01 -1.14 -4.88 120.40 125.13 3ngb s VAL 292 Ca 0.53 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 3ngb s VAL 292 Cb -0.32 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3ngb s VAL 292 CO 0.36 0.36 1.16 -0.70 0.00 0.00 0.00 175.10 176.28 3ngb s GLU 293 N 1.21 4.39 -0.14 2.72 2.12 -1.26 -1.45 118.70 126.29 3ngb s GLU 293 Ca 0.05 1.64 -0.05 0.00 0.36 0.00 0.00 54.97 56.98 3ngb s GLU 293 Cb -0.14 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 3ngb s GLU 293 CO 0.04 -0.37 0.02 -1.50 -0.54 0.00 0.00 175.26 172.91 3ngb s ILE 294 N 1.89 4.42 -0.57 -3.70 2.07 0.56 -4.38 121.20 121.49 3ngb s ILE 294 Ca 0.55 -0.18 0.04 0.00 -1.41 0.00 0.00 60.65 59.65 3ngb s ILE 294 Cb -0.24 -2.93 0.14 0.00 0.13 0.00 0.00 42.46 39.55 3ngb s ILE 294 CO 0.23 0.52 0.32 0.21 -1.91 0.00 0.00 174.94 174.32 3ngb s ASN 295 N -0.10 4.48 -0.04 4.50 2.47 -0.53 -0.80 114.94 124.92 3ngb s ASN 295 Ca 0.05 -3.18 -0.19 0.00 0.42 0.00 0.00 52.86 49.96 3ngb s ASN 295 Cb -0.12 -1.66 -0.05 0.00 -1.45 0.00 0.00 41.25 37.97 3ngb s ASN 295 CO 0.02 -0.21 0.53 0.00 -3.72 0.00 0.00 177.10 173.72 3ngb s THR 297 N -0.02 -0.01 -0.38 0.00 -1.32 -0.40 -1.24 115.64 112.28 3ngb s THR 297 Ca 0.28 0.04 -0.06 0.00 -1.21 0.00 0.00 61.69 60.75 3ngb s THR 297 Cb -0.17 -0.72 0.07 0.00 -1.51 0.00 0.00 72.50 70.17 3ngb s THR 297 CO 0.14 0.02 0.16 -0.60 -2.21 0.00 0.00 174.62 172.13 3ngb s ARG 298 N 1.04 2.44 0.92 7.08 3.52 0.13 -2.68 118.95 131.40 3ngb s ARG 298 Ca -0.06 -1.44 -0.13 0.00 -0.13 0.00 0.00 55.73 53.96 3ngb s ARG 298 Cb -0.06 -3.55 0.02 0.00 -1.56 0.00 0.00 34.95 29.80 3ngb s ARG 298 CO -0.09 -0.86 0.39 -2.30 -0.81 0.00 0.00 175.30 171.63 3ngb n PRO 299 N 4.76 -0.21 -3.22 5.12 -0.02 -1.26 -2.40 135.00 137.77 3ngb n PRO 299 Ca -0.09 -0.02 -0.46 0.00 -2.02 0.00 0.00 63.50 60.91 3ngb n PRO 299 Cb 0.43 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 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 -1.92 6.65 0.23 2.55 1.04 -1.26 -4.73 113.70 116.26 3ngb s SER 300 Ca 0.57 -2.40 0.09 0.00 0.48 0.00 0.00 55.95 54.70 3ngb s SER 300 Cb -0.23 -2.26 -0.05 0.00 0.10 0.00 0.00 66.02 63.59 3ngb s SER 300 CO 0.67 -0.74 -0.16 0.20 0.98 0.00 0.00 173.24 174.18 3ngb s ASN 301 N 2.69 2.90 0.17 7.02 0.01 -1.26 -4.92 114.94 121.55 3ngb s ASN 301 Ca 0.20 -1.02 0.00 0.00 -0.71 0.00 0.00 52.86 51.33 3ngb s ASN 301 Cb -0.11 -0.19 0.00 0.00 0.41 0.00 0.00 41.25 41.36 3ngb s ASN 301 CO -0.07 -0.10 0.00 -0.24 -1.51 0.00 0.00 177.10 175.18 3ngb n SER 322 N -0.42 -2.18 -3.73 -1.22 2.88 -1.26 -4.73 113.62 102.95 3ngb n SER 322 Ca -0.07 0.43 -0.28 0.00 -1.33 0.00 0.00 58.87 57.62 3ngb n SER 322 Cb 0.60 -1.20 -0.16 0.00 -0.75 0.00 0.00 64.21 62.70 3ngb n SER 322 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3ngb s GLY 323 N -4.61 0.77 0.00 0.46 0.00 -1.26 -5.11 107.32 97.57 3ngb s GLY 323 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.85 3ngb s GLY 323 CO 0.00 1.46 0.00 0.61 0.00 0.00 0.00 173.10 175.17 3ngb n GLY 324 N 5.02 2.13 3.79 0.20 0.00 -1.26 -5.17 105.19 109.91 3ngb n GLY 324 Ca -0.08 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 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 0.23 5.83 0.00 1.61 2.15 -1.26 -5.00 116.67 120.22 3ngb s ASP 325 Ca 0.00 0.26 0.27 0.00 0.43 0.00 0.00 52.55 53.51 3ngb s ASP 325 Cb 0.00 -1.75 0.90 0.00 -0.30 0.00 0.00 42.92 41.77 3ngb s ASP 325 CO 0.00 0.34 1.65 2.30 -0.17 0.00 0.00 175.17 179.30 3ngb n ILE 326 N 1.66 0.00 0.41 4.11 -5.35 -1.26 -3.72 119.36 115.21 3ngb n ILE 326 Ca -0.16 -0.18 0.04 0.00 -0.27 0.00 0.00 62.75 62.18 3ngb n ILE 326 Cb 0.54 0.43 -0.05 0.00 -1.74 0.00 0.00 39.64 38.82 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 -0.28 3.84 -2.58 6.28 1.74 -1.26 -4.77 116.66 119.63 3ngb n ARG 327 Ca 0.15 -0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.82 3ngb n ARG 327 Cb 0.35 -0.94 -0.04 0.00 -1.02 0.00 0.00 32.46 30.81 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 -1.89 4.62 0.11 5.56 0.00 -1.24 -0.46 119.74 126.44 3ngb s LYS 328 Ca 0.03 1.63 -0.00 0.00 0.00 0.00 0.00 55.97 57.63 3ngb s LYS 328 Cb 0.07 -3.31 0.00 0.00 0.00 0.00 0.00 37.83 34.58 3ngb s LYS 328 CO 0.37 0.10 0.14 0.00 0.00 0.00 0.00 175.35 175.97 3ngb n ALA 329 N 2.61 -0.05 -3.54 0.59 0.00 -0.84 -4.56 120.51 114.72 3ngb n ALA 329 Ca 0.03 -0.53 -0.11 0.00 0.00 0.00 0.00 53.44 52.83 3ngb n ALA 329 Cb 0.47 0.43 -0.04 0.00 0.00 0.00 0.00 19.45 20.31 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 -4.00 -0.40 -0.05 0.00 1.13 -1.09 -1.46 117.35 111.48 3ngb s TYR 330 Ca 0.10 0.53 0.06 0.00 -1.41 0.00 0.00 57.07 56.35 3ngb s TYR 330 Cb -0.00 0.48 -0.01 0.00 -1.10 0.00 0.00 41.96 41.32 3ngb s TYR 330 CO 0.07 -0.45 -0.24 0.00 -2.51 0.00 0.00 175.55 172.41 3ngb s GLU 332 N -0.30 3.57 -0.05 0.00 2.02 0.15 0.33 118.70 124.42 3ngb s GLU 332 Ca 0.01 -0.56 0.05 0.00 0.02 0.00 0.00 54.97 54.49 3ngb s GLU 332 Cb -0.13 -2.97 -0.01 0.00 0.10 0.00 0.00 34.13 31.13 3ngb s GLU 332 CO 0.02 0.07 -0.20 0.42 0.02 0.00 0.00 175.26 175.59 3ngb s ILE 333 N 0.82 1.65 -0.53 -1.63 1.09 -0.35 -1.45 121.20 120.79 3ngb s ILE 333 Ca -0.01 -0.84 -0.27 0.00 -1.10 0.00 0.00 60.65 58.43 3ngb s ILE 333 Cb -0.14 -1.41 -0.04 0.00 -1.06 0.00 0.00 42.46 39.81 3ngb s ILE 333 CO 0.02 0.47 2.07 0.21 -0.10 0.00 0.00 174.94 177.60 3ngb s ASN 334 N -0.06 5.01 0.23 3.58 3.84 -1.26 -0.88 114.94 125.41 3ngb s ASN 334 Ca -0.03 0.73 -0.07 0.00 0.21 0.00 0.00 52.86 53.70 3ngb s ASN 334 Cb -0.12 -2.52 0.40 0.00 -0.55 0.00 0.00 41.25 38.46 3ngb s ASN 334 CO 0.03 -2.50 1.69 1.23 -2.79 0.00 0.00 177.10 174.76 3ngb h GLY 335 N 17.35 0.93 0.99 1.21 0.00 -1.66 0.32 103.07 122.22 3ngb h GLY 335 Ca -0.26 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3ngb h GLY 335 CO 1.17 -0.16 0.01 -0.84 0.00 0.00 0.00 176.54 176.72 3ngb h THR 336 N 0.27 1.01 -0.02 4.70 2.02 -1.70 -0.26 112.91 118.94 3ngb h THR 336 Ca 0.38 -0.02 -0.13 0.00 0.77 0.00 0.00 66.41 67.41 3ngb h THR 336 Cb 0.61 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 3ngb h THR 336 CO -0.47 0.01 -0.57 0.50 0.37 0.00 0.00 175.52 175.36 3ngb h LYS 337 N 0.00 0.06 0.00 6.66 3.64 -1.76 -2.62 116.57 122.56 3ngb h LYS 337 Ca 0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3ngb h LYS 337 Cb 0.01 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3ngb h LYS 337 CO -0.00 0.62 -0.00 2.35 -2.27 0.00 0.00 179.45 180.15 3ngb h TRP 338 N 0.05 -0.00 -0.51 1.91 2.91 -0.84 -3.00 115.95 116.46 3ngb h TRP 338 Ca -0.00 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.06 3ngb h TRP 338 Cb 1.03 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.65 3ngb h TRP 338 CO 0.01 0.85 0.34 -0.91 -1.03 0.00 0.00 178.44 177.70 3ngb h ASN 339 N -0.97 0.46 -0.54 2.65 2.35 -1.12 0.25 115.58 118.67 3ngb h ASN 339 Ca -0.00 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3ngb h ASN 339 Cb 0.86 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 3ngb h ASN 339 CO 0.00 0.31 0.01 0.50 -1.65 0.00 0.00 177.43 176.60 3ngb h LYS 340 N 0.54 0.98 -0.01 0.81 3.11 -1.56 -1.73 116.57 118.70 3ngb h LYS 340 Ca 0.21 -0.29 -0.22 0.00 -2.81 0.00 0.00 60.65 57.54 3ngb h LYS 340 Cb 0.17 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 31.30 3ngb h LYS 340 CO -0.06 0.96 -0.90 0.28 -2.81 0.00 0.00 179.45 176.93 3ngb h VAL 341 N 0.90 1.41 -0.06 2.00 2.07 -1.05 -3.11 116.25 118.41 3ngb h VAL 341 Ca 0.17 -2.42 -0.12 0.00 0.82 0.00 0.00 66.70 65.15 3ngb h VAL 341 Cb 0.52 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 3ngb h VAL 341 CO 0.03 0.72 -0.51 0.25 0.02 0.00 0.00 177.57 178.07 3ngb h LEU 342 N 0.22 0.17 -0.29 2.57 5.85 -0.39 -2.51 115.31 120.94 3ngb h LEU 342 Ca -0.07 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 3ngb h LEU 342 Cb 1.53 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 3ngb h LEU 342 CO 0.15 0.66 -0.01 0.50 -0.34 0.00 0.00 178.44 179.40 3ngb h LYS 343 N 0.13 0.52 -0.16 1.25 3.64 -1.36 -2.03 116.57 118.56 3ngb h LYS 343 Ca 0.00 -0.17 0.05 0.00 -1.27 0.00 0.00 60.65 59.26 3ngb h LYS 343 Cb 0.95 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 3ngb h LYS 343 CO 0.07 0.68 0.20 1.96 -2.27 0.00 0.00 179.45 180.09 3ngb h GLN 344 N 0.30 0.00 0.07 1.90 4.20 -1.43 0.19 115.11 120.35 3ngb h GLN 344 Ca 0.08 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.51 3ngb h GLN 344 Cb 0.45 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.26 3ngb h GLN 344 CO 0.02 0.00 -1.16 0.28 -0.67 0.00 0.00 178.83 177.30 3ngb h VAL 345 N 0.00 1.29 0.00 -0.54 2.07 -0.98 -2.91 116.25 115.18 3ngb h VAL 345 Ca 0.07 -2.38 -0.06 0.00 0.82 0.00 0.00 66.70 65.15 3ngb h VAL 345 Cb 0.47 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 3ngb h VAL 345 CO -0.00 0.73 -0.29 0.71 0.02 0.00 0.00 177.57 178.74 3ngb h THR 346 N 0.32 0.89 -0.02 2.57 1.35 -0.33 -0.50 112.91 117.19 3ngb h THR 346 Ca -0.16 -1.13 -0.17 0.00 -0.55 0.00 0.00 66.41 64.40 3ngb h THR 346 Cb 1.82 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 69.90 3ngb h THR 346 CO 0.22 0.28 -0.75 -0.08 -0.25 0.00 0.00 175.52 174.94 3ngb h GLU 347 N 0.00 0.13 0.00 4.72 4.57 -1.23 -2.41 114.58 120.36 3ngb h GLU 347 Ca -0.00 -0.12 -0.14 0.00 -1.18 0.00 0.00 59.36 57.92 3ngb h GLU 347 Cb 0.65 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 3ngb h GLU 347 CO 0.04 0.82 -0.71 0.87 -1.18 0.00 0.00 179.01 178.85 3ngb h LYS 348 N 0.09 0.00 -0.20 1.92 1.79 -1.23 -3.28 116.57 115.66 3ngb h LYS 348 Ca -0.02 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 3ngb h LYS 348 Cb 1.33 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.97 3ngb h LYS 348 CO 0.11 0.60 -0.12 -0.07 -1.08 0.00 0.00 179.45 178.89 3ngb h LEU 349 N 0.00 0.45-10.05 2.94 -0.00 -1.04 -3.35 115.31 104.26 3ngb h LEU 349 Ca -0.02 -0.43 -0.41 0.00 -0.00 0.00 0.00 57.88 57.02 3ngb h LEU 349 Cb 1.50 -0.12 0.22 0.00 -0.00 0.00 0.00 40.66 42.25 3ngb h LEU 349 CO 0.08 0.78 -0.10 0.29 -0.00 0.00 0.00 178.44 179.48 3ngb n LYS 350 N -4.54 -3.21 0.00 1.13 5.02 -0.91 -1.54 118.16 114.11 3ngb n LYS 350 Ca -0.05 -0.92 0.00 0.00 -2.02 0.00 0.00 58.31 55.32 3ngb n LYS 350 Cb 0.34 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 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 -5.15 0.00 -0.06 1.97 2.13 -0.73 -4.30 120.64 114.50 3ngb n GLU 351 Ca 0.05 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.83 3ngb n GLU 351 Cb 0.56 -0.99 -0.13 0.00 0.27 0.00 0.00 31.44 31.15 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 -0.63 0.00 -2.52 4.31 8.25 -0.97 -4.60 115.22 119.05 3ngb n HIS 352 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 3ngb n HIS 352 Cb 0.00 -0.67 0.01 0.00 1.12 0.00 0.00 29.99 30.44 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 -2.45 2.89 -3.24 4.41 3.72 -0.59 -5.07 117.46 117.14 3ngb n PHE 353 Ca -0.19 -3.05 0.00 0.00 -0.05 0.00 0.00 57.45 54.16 3ngb n PHE 353 Cb 0.86 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 39.25 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 -0.38 -1.34 -0.79 4.37 3.02 -1.26 -2.63 115.26 116.24 3ngb n ASN 354 Ca 0.32 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.92 3ngb n ASN 354 Cb 0.70 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 40.03 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 -3.35 2.25 -4.51 6.41 5.03 -1.26 -1.78 115.26 118.05 3ngb n ASN 355 Ca 0.00 -2.14 -0.42 0.00 0.87 0.00 0.00 54.58 52.89 3ngb n ASN 355 Cb 0.00 -0.35 0.01 0.00 -1.02 0.00 0.00 39.78 38.42 3ngb n ASN 355 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3ngb n LYS 357 N 0.42 0.82 -2.19 3.52 5.02 -1.08 -4.90 118.16 119.78 3ngb n LYS 357 Ca 0.12 0.30 -0.40 0.00 -2.02 0.00 0.00 58.31 56.30 3ngb n LYS 357 Cb 0.42 -1.70 -0.02 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.39 2.88 -0.27 -0.18 2.01 0.99 -4.76 115.64 114.92 3ngb s THR 358 Ca 0.64 0.88 -0.07 0.00 0.31 0.00 0.00 61.69 63.44 3ngb s THR 358 Cb -0.59 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.35 3ngb s THR 358 CO 0.57 0.20 0.08 -0.63 -0.69 0.00 0.00 174.62 174.15 3ngb s ILE 359 N -1.16 4.20 0.07 1.82 1.09 -1.26 -1.63 121.20 124.32 3ngb s ILE 359 Ca 0.49 -0.37 0.06 0.00 -1.10 0.00 0.00 60.65 59.73 3ngb s ILE 359 Cb -0.38 -3.04 -0.03 0.00 -1.06 0.00 0.00 42.46 37.96 3ngb s ILE 359 CO 0.50 0.24 -0.18 0.27 -0.10 0.00 0.00 174.94 175.67 3ngb s ILE 360 N 1.57 1.42 0.10 2.92 -4.36 -1.26 -4.97 121.20 116.63 3ngb s ILE 360 Ca 0.05 -1.29 0.06 0.00 -0.26 0.00 0.00 60.65 59.21 3ngb s ILE 360 Cb -0.16 -1.29 -0.04 0.00 1.25 0.00 0.00 42.46 42.22 3ngb s ILE 360 CO 0.03 -0.03 -0.04 -0.36 0.24 0.00 0.00 174.94 174.78 3ngb s PHE 361 N -1.04 2.89 -0.02 1.37 0.08 -1.26 -0.86 117.98 119.13 3ngb s PHE 361 Ca 0.03 -0.08 -0.09 0.00 0.12 0.00 0.00 56.93 56.91 3ngb s PHE 361 Cb -0.09 -1.49 0.01 0.00 -0.57 0.00 0.00 43.02 40.88 3ngb s PHE 361 CO 0.03 0.46 0.20 -0.65 -0.10 0.00 0.00 175.22 175.16 3ngb s GLN 362 N -2.31 0.49 0.68 0.44 -1.52 -0.24 -4.80 119.66 112.40 3ngb s GLN 362 Ca 0.24 -0.21 -0.16 0.00 -1.95 0.00 0.00 55.36 53.28 3ngb s GLN 362 Cb -0.11 0.21 0.01 0.00 -0.22 0.00 0.00 33.01 32.90 3ngb s GLN 362 CO 0.17 -0.12 1.21 -1.25 -0.25 0.00 0.00 175.29 175.05 3ngb s PRO 363 N -1.08 2.44 0.49 2.91 0.04 -1.26 -4.18 135.00 134.35 3ngb s PRO 363 Ca -0.12 1.79 -0.21 0.00 0.04 0.00 0.00 61.00 62.50 3ngb s PRO 363 Cb -0.06 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 3ngb s PRO 363 CO 0.02 -1.61 0.72 -2.30 0.04 0.00 0.00 177.00 173.87 3ngb n PRO 364 N -2.32 0.80 0.00 0.56 -0.02 -1.26 -4.90 135.00 127.87 3ngb n PRO 364 Ca 0.14 0.30 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 3ngb n PRO 364 Cb 0.50 -1.80 0.45 0.00 -0.02 0.00 0.00 33.50 32.63 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 0.56 0.58 0.00 2.55 7.64 -1.26 -5.00 113.62 118.69 3ngb n SER 365 Ca 0.11 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.54 3ngb n SER 365 Cb 0.43 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 1.38 -2.04 0.00 0.23 0.00 -1.26 -5.19 105.19 98.31 3ngb n GLY 366 Ca 0.11 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.42 1.36 3.63 -0.02 0.00 -1.26 -4.64 105.19 103.85 3ngb n GLY 367 Ca 0.00 -2.22 -0.34 0.00 0.00 0.00 0.00 46.02 43.46 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 0.43 0.27 1.61 8.00 -1.26 -4.66 116.55 120.95 3ngb n ASP 368 Ca 0.00 0.56 0.12 0.00 0.71 0.00 0.00 54.79 56.19 3ngb n ASP 368 Cb 0.00 -1.44 0.77 0.00 -0.02 0.00 0.00 41.12 40.43 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 -0.89 0.00 -0.19 0.64 5.85 -1.97 0.12 115.31 118.87 3ngb h LEU 369 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3ngb h LEU 369 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3ngb h LEU 369 CO 0.44 0.07 0.00 -0.62 -0.34 0.00 0.00 178.44 177.99 3ngb n GLU 370 N -3.91 0.05 -0.11 1.25 4.71 -1.26 -2.49 120.64 118.88 3ngb n GLU 370 Ca -0.03 0.30 -0.18 0.00 -0.01 0.00 0.00 57.16 57.24 3ngb n GLU 370 Cb 0.16 -1.60 -0.09 0.00 -1.01 0.00 0.00 31.44 28.89 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 -1.70 1.21 0.71 -3.67 5.41 0.34 -4.42 119.36 117.24 3ngb n ILE 371 Ca 0.03 -0.40 0.09 0.00 1.00 0.00 0.00 62.75 63.46 3ngb n ILE 371 Cb 0.19 -1.46 0.41 0.00 -0.71 0.00 0.00 39.64 38.06 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 -3.46 0.65 -4.07 1.39 -2.24 -0.79 -4.75 114.28 101.00 3ngb n THR 372 Ca -0.40 0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.45 3ngb n THR 372 Cb 0.86 -0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 68.12 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 -2.80 0.56 -0.62 -0.78 -1.94 -1.04 -4.79 119.30 107.90 3ngb s MET 373 Ca 0.12 -1.01 -0.27 0.00 -1.71 0.00 0.00 55.69 52.82 3ngb s MET 373 Cb 0.12 0.04 -0.02 0.00 2.01 0.00 0.00 34.83 36.98 3ngb s MET 373 CO 0.29 -0.05 1.79 -1.58 -0.01 0.00 0.00 175.02 175.46 3ngb s HIS 374 N -2.85 1.74 -0.20 -0.03 2.46 0.39 -4.73 115.29 112.06 3ngb s HIS 374 Ca -0.01 0.69 -0.08 0.00 0.47 0.00 0.00 55.06 56.14 3ngb s HIS 374 Cb 0.00 -4.15 -0.04 0.00 -0.13 0.00 0.00 32.58 28.26 3ngb s HIS 374 CO -0.05 -2.30 0.07 -1.58 -2.47 0.00 0.00 174.74 168.42 3ngb s HIS 375 N 8.62 3.22 0.32 3.88 5.04 -1.26 -1.05 115.29 134.07 3ngb s HIS 375 Ca 0.64 0.00 -0.10 0.00 -1.54 0.00 0.00 55.06 54.06 3ngb s HIS 375 Cb -0.12 -2.13 0.02 0.00 0.04 0.00 0.00 32.58 30.38 3ngb s HIS 375 CO 0.21 0.05 0.58 -0.59 -2.34 0.00 0.00 174.74 172.64 3ngb s PHE 376 N 0.68 0.51 -0.16 3.88 -0.71 -1.05 -2.06 117.98 119.07 3ngb s PHE 376 Ca 0.04 -0.92 0.01 0.00 -1.04 0.00 0.00 56.93 55.03 3ngb s PHE 376 Cb -0.13 0.31 0.02 0.00 -1.21 0.00 0.00 43.02 42.01 3ngb s PHE 376 CO 0.02 -1.22 -0.20 1.21 -1.34 0.00 0.00 175.22 173.68 3ngb s ASN 377 N -3.10 3.07 -0.14 1.98 3.84 -1.26 -1.23 114.94 118.09 3ngb s ASN 377 Ca 0.23 -0.62 0.00 0.00 0.21 0.00 0.00 52.86 52.68 3ngb s ASN 377 Cb -0.02 -1.43 0.02 0.00 -0.55 0.00 0.00 41.25 39.27 3ngb s ASN 377 CO 0.14 0.02 -0.14 0.00 -2.79 0.00 0.00 177.10 174.33 3ngb n ARG 379 N 4.75 -4.75 -0.32 0.00 3.00 -1.25 -0.97 116.66 117.12 3ngb n ARG 379 Ca -0.17 0.60 0.00 0.00 -0.01 0.00 0.00 57.85 58.28 3ngb n ARG 379 Cb 0.50 -5.44 0.00 0.00 0.00 0.00 0.00 32.46 27.53 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 -1.51 1.89 3.86 -0.13 0.00 -1.26 -4.73 105.19 103.31 3ngb n GLY 380 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.17 3.64 -0.40 1.61 0.41 -0.15 -5.01 118.70 118.63 3ngb s GLU 381 Ca 0.00 0.07 -0.20 0.00 -0.41 0.00 0.00 54.97 54.42 3ngb s GLU 381 Cb 0.00 -3.21 0.01 0.00 -1.78 0.00 0.00 34.13 29.15 3ngb s GLU 381 CO 0.00 0.73 0.61 -0.06 -0.49 0.00 0.00 175.26 176.05 3ngb s PHE 382 N -0.98 3.11 0.11 1.61 0.08 -1.26 -0.96 117.98 119.68 3ngb s PHE 382 Ca 0.18 0.07 -0.04 0.00 0.12 0.00 0.00 56.93 57.26 3ngb s PHE 382 Cb -0.14 -3.21 -0.05 0.00 -0.57 0.00 0.00 43.02 39.05 3ngb s PHE 382 CO 0.07 -0.75 0.32 -0.06 -0.10 0.00 0.00 175.22 174.70 3ngb s PHE 383 N 2.70 3.50 -0.39 0.36 0.08 -0.37 -2.24 117.98 121.63 3ngb s PHE 383 Ca 0.22 0.47 0.01 0.00 0.12 0.00 0.00 56.93 57.75 3ngb s PHE 383 Cb -0.14 -1.94 0.13 0.00 -0.57 0.00 0.00 43.02 40.50 3ngb s PHE 383 CO 0.17 0.50 0.21 0.71 -0.10 0.00 0.00 175.22 176.70 3ngb s TYR 384 N -1.58 1.40 0.11 0.36 2.02 -0.81 -2.53 117.35 116.32 3ngb s TYR 384 Ca 0.38 -1.99 -0.17 0.00 -0.37 0.00 0.00 57.07 54.92 3ngb s TYR 384 Cb -0.12 -1.45 -0.07 0.00 -0.40 0.00 0.00 41.96 39.91 3ngb s TYR 384 CO 0.25 -0.81 0.56 0.00 -1.57 0.00 0.00 175.55 173.98 3ngb s ASN 386 N -1.40 6.21 -0.11 0.00 3.84 -0.65 -0.46 114.94 122.36 3ngb s ASN 386 Ca 0.33 -1.03 0.07 0.00 0.21 0.00 0.00 52.86 52.45 3ngb s ASN 386 Cb -0.17 -2.27 0.40 0.00 -0.55 0.00 0.00 41.25 38.66 3ngb s ASN 386 CO 0.19 -0.85 1.12 0.35 -2.79 0.00 0.00 177.10 175.12 3ngb n THR 387 N 5.53 1.31 -0.06 -5.21 -2.24 -1.26 -4.31 114.28 108.03 3ngb n THR 387 Ca -0.08 -0.67 -0.10 0.00 -2.27 0.00 0.00 64.05 60.93 3ngb n THR 387 Cb 0.45 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 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 1.96 1.11 -0.08 4.28 2.02 -1.94 -2.00 112.91 118.26 3ngb h THR 388 Ca 0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3ngb h THR 388 Cb 1.19 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 3ngb h THR 388 CO 0.23 0.11 0.00 0.00 0.37 0.00 0.00 175.52 176.23 3ngb n GLN 389 N -4.87 1.23 -0.01 6.66 10.64 -1.26 -3.18 117.38 126.59 3ngb n GLN 389 Ca -0.03 -0.35 -0.11 0.00 -1.83 0.00 0.00 57.00 54.68 3ngb n GLN 389 Cb 0.07 -1.17 -0.14 0.00 -0.86 0.00 0.00 30.24 28.14 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 0.62 0.09 -6.93 2.61 5.85 -1.66 -3.39 115.31 112.49 3ngb h LEU 390 Ca 0.00 -0.18 -0.72 0.00 0.84 0.00 0.00 57.88 57.81 3ngb h LEU 390 Cb 0.14 -0.03 -0.34 0.00 0.37 0.00 0.00 40.66 40.80 3ngb h LEU 390 CO 0.00 1.16 0.14 0.49 -0.34 0.00 0.00 178.44 179.89 3ngb n PHE 391 N -3.16 3.52 -3.36 1.25 3.01 -1.19 -4.98 117.46 112.55 3ngb n PHE 391 Ca -0.18 -3.59 -0.44 0.00 1.01 0.00 0.00 57.45 54.25 3ngb n PHE 391 Cb 1.04 -1.09 -0.08 0.00 -0.01 0.00 0.00 39.48 39.34 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 -1.14 6.16 0.29 4.37 3.84 -1.26 -4.79 114.94 122.40 3ngb s ASN 392 Ca 0.32 -1.08 0.04 0.00 0.21 0.00 0.00 52.86 52.35 3ngb s ASN 392 Cb 0.02 -2.20 0.68 0.00 -0.55 0.00 0.00 41.25 39.20 3ngb s ASN 392 CO -0.02 -0.63 1.77 0.78 -2.79 0.00 0.00 177.10 176.21 3ngb h ASN 393 N 8.76 0.71 -0.68 -4.21 2.35 -1.95 -1.66 115.58 118.90 3ngb h ASN 393 Ca -0.28 0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.54 3ngb h ASN 393 Cb 1.11 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.42 3ngb h ASN 393 CO 0.85 0.26 0.32 0.74 -1.65 0.00 0.00 177.43 177.95 3ngb h THR 394 N 0.73 1.23 -0.06 2.81 2.02 -1.96 -2.38 112.91 115.30 3ngb h THR 394 Ca 0.55 -0.66 -0.15 0.00 0.77 0.00 0.00 66.41 66.92 3ngb h THR 394 Cb 0.82 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3ngb h THR 394 CO -0.38 0.27 -0.62 0.00 0.37 0.00 0.00 175.52 175.16 3ngb h ILE 396 N 0.17 1.21 -0.77 0.00 5.03 -1.04 -2.83 117.51 119.29 3ngb h ILE 396 Ca -0.01 -0.44 -0.25 0.00 -0.12 0.00 0.00 64.86 64.04 3ngb h ILE 396 Cb 1.13 0.11 -0.15 0.00 -3.03 0.00 0.00 36.82 34.89 3ngb h ILE 396 CO 0.10 0.22 0.31 0.61 -0.68 0.00 0.00 178.15 178.70 3ngb n GLY 397 N -1.23 3.78 0.00 5.37 0.00 -0.92 -4.62 105.19 107.57 3ngb n GLY 397 Ca 0.07 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3ngb n GLY 397 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ngb n ASN 404 N -0.28 0.00 -1.55 1.61 4.05 -0.98 -5.03 115.26 113.08 3ngb n ASN 404 Ca 0.43 0.00 -0.05 0.00 0.45 0.00 0.00 54.58 55.41 3ngb n ASN 404 Cb 1.42 0.00 0.01 0.00 1.23 0.00 0.00 39.78 42.45 3ngb n ASN 404 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3ngb n GLU 405 N 0.00 1.24 0.00 1.20 4.71 -1.23 -3.22 120.64 123.35 3ngb n GLU 405 Ca 0.00 -0.49 0.00 0.00 -0.01 0.00 0.00 57.16 56.66 3ngb n GLU 405 Cb 0.00 -1.19 0.00 0.00 -1.01 0.00 0.00 31.44 29.24 3ngb n GLU 405 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3ngb n THR 406 N 0.99 0.00 -1.65 2.62 -1.04 -1.26 -4.89 114.28 109.05 3ngb n THR 406 Ca 0.09 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.69 3ngb n THR 406 Cb 0.55 -0.07 0.01 0.00 -1.82 0.00 0.00 70.33 69.00 3ngb n THR 406 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 3ngb n MET 407 N -0.81 1.55 -1.68 -2.82 0.00 -1.20 -4.86 117.12 107.31 3ngb n MET 407 Ca 0.00 0.56 -0.45 0.00 0.00 0.00 0.00 57.70 57.80 3ngb n MET 407 Cb 0.09 -2.19 -0.04 0.00 0.00 0.00 0.00 33.22 31.08 3ngb n MET 407 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3ngb n LYS 408 N 0.01 2.23 0.00 2.12 4.81 -1.26 -2.48 118.16 123.58 3ngb n LYS 408 Ca 0.09 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 3ngb n LYS 408 Cb 0.40 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.87 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 3.46 3.19 0.30 3.14 0.00 -1.26 -4.85 105.19 109.17 3ngb n GLY 409 Ca 0.17 -0.95 0.20 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.97 7.02 0.00 0.00 5.15 -1.26 -3.52 115.26 119.68 3ngb n ASN 411 Ca -0.02 -3.22 0.00 0.00 -0.60 0.00 0.00 54.58 50.74 3ngb n ASN 411 Cb 0.13 -1.36 0.00 0.00 -0.53 0.00 0.00 39.78 38.02 3ngb n ASN 411 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ngb n GLY 412 N 1.78 2.36 3.46 8.20 0.00 -1.18 -5.02 105.19 114.78 3ngb n GLY 412 Ca 0.51 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.18 3.41 -0.51 2.61 2.01 -1.26 -1.92 115.64 118.80 3ngb s THR 413 Ca 0.00 -0.55 -0.17 0.00 0.31 0.00 0.00 61.69 61.27 3ngb s THR 413 Cb 0.00 -2.43 0.08 0.00 0.01 0.00 0.00 72.50 70.16 3ngb s THR 413 CO 0.00 0.54 0.53 -0.63 -0.69 0.00 0.00 174.62 174.37 3ngb s ILE 414 N -0.05 5.05 -0.32 1.82 1.01 -0.06 -4.89 121.20 123.76 3ngb s ILE 414 Ca -0.01 -0.92 -0.17 0.00 0.00 0.00 0.00 60.65 59.55 3ngb s ILE 414 Cb -0.14 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.05 3ngb s ILE 414 CO 0.03 -0.77 0.46 0.42 0.00 0.00 0.00 174.94 175.07 3ngb s THR 415 N 2.12 5.08 -0.03 2.92 -4.23 -1.26 -1.21 115.64 119.03 3ngb s THR 415 Ca 0.09 0.41 -0.17 0.00 -1.18 0.00 0.00 61.69 60.83 3ngb s THR 415 Cb -0.23 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.69 3ngb s THR 415 CO 0.08 -0.07 0.47 -0.76 -0.54 0.00 0.00 174.62 173.79 3ngb s LEU 416 N 2.24 4.41 -0.36 4.79 1.43 0.15 -4.88 118.68 126.45 3ngb s LEU 416 Ca 0.17 0.97 -0.29 0.00 -1.03 0.00 0.00 54.13 53.95 3ngb s LEU 416 Cb -0.16 -2.70 -0.01 0.00 0.03 0.00 0.00 46.19 43.36 3ngb s LEU 416 CO 0.12 0.18 1.63 -2.84 0.23 0.00 0.00 176.35 175.67 3ngb s PRO 417 N -0.40 3.44 0.37 1.29 0.02 -1.26 -1.64 135.00 136.82 3ngb s PRO 417 Ca 0.26 1.22 0.08 0.00 0.02 0.00 0.00 61.00 62.57 3ngb s PRO 417 Cb -0.17 -4.12 -0.04 0.00 0.02 0.00 0.00 34.50 30.19 3ngb s PRO 417 CO 0.13 -1.73 0.21 0.00 -0.33 0.00 0.00 177.00 175.29 3ngb s LYS 419 N -3.93 0.70 -0.50 0.00 -2.85 -1.17 -1.99 119.74 110.00 3ngb s LYS 419 Ca 0.41 0.93 -0.22 0.00 -1.00 0.00 0.00 55.97 56.09 3ngb s LYS 419 Cb -0.01 0.29 0.04 0.00 -2.06 0.00 0.00 37.83 36.08 3ngb s LYS 419 CO 0.24 -0.10 0.78 0.42 0.10 0.00 0.00 175.35 176.79 3ngb s ILE 420 N 0.66 4.64 0.31 3.79 1.01 0.40 -1.92 121.20 130.08 3ngb s ILE 420 Ca -0.03 0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.62 3ngb s ILE 420 Cb -0.05 -4.37 -0.08 0.00 0.01 0.00 0.00 42.46 37.97 3ngb s ILE 420 CO -0.04 -0.86 0.68 -0.54 0.00 0.00 0.00 174.94 174.19 3ngb s LYS 421 N 3.30 3.90 -0.13 2.79 1.02 -0.95 -4.85 119.74 124.82 3ngb s LYS 421 Ca 0.26 0.50 0.13 0.00 0.02 0.00 0.00 55.97 56.88 3ngb s LYS 421 Cb -0.14 -2.49 -0.18 0.00 -0.52 0.00 0.00 37.83 34.50 3ngb s LYS 421 CO 0.19 0.17 0.08 1.04 -0.92 0.00 0.00 175.35 175.90 3ngb n GLN 422 N -0.49 1.56 -3.33 1.68 6.02 -1.26 -4.51 117.38 117.05 3ngb n GLN 422 Ca 0.02 -0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 3ngb n GLN 422 Cb 0.53 -1.37 -0.09 0.00 1.02 0.00 0.00 30.24 30.34 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 -2.41 5.10 0.08 5.09 1.01 -1.26 -1.63 121.20 127.18 3ngb s ILE 423 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.63 3ngb s ILE 423 Cb 0.05 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 3ngb s ILE 423 CO 0.59 -0.23 -0.12 0.27 0.00 0.00 0.00 174.94 175.45 3ngb s ILE 424 N 2.16 1.01 -0.25 2.92 -4.36 -0.66 -4.97 121.20 117.05 3ngb s ILE 424 Ca 0.14 -1.37 -0.21 0.00 -0.26 0.00 0.00 60.65 58.95 3ngb s ILE 424 Cb -0.16 -1.09 -0.02 0.00 1.25 0.00 0.00 42.46 42.43 3ngb s ILE 424 CO 0.13 -0.33 0.65 0.20 0.24 0.00 0.00 174.94 175.83 3ngb s ASN 425 N -1.91 6.61 0.27 4.36 0.01 -1.26 -0.84 114.94 122.17 3ngb s ASN 425 Ca -0.01 0.75 -0.30 0.00 -0.71 0.00 0.00 52.86 52.59 3ngb s ASN 425 Cb -0.08 -2.35 -0.10 0.00 0.41 0.00 0.00 41.25 39.13 3ngb s ASN 425 CO 0.02 -0.38 1.36 -0.04 -1.51 0.00 0.00 177.10 176.55 3ngb s MET 426 N 2.51 4.33 0.09 -0.60 -1.94 -0.30 -4.92 119.30 118.48 3ngb s MET 426 Ca 0.27 2.21 0.15 0.00 -1.71 0.00 0.00 55.69 56.61 3ngb s MET 426 Cb -0.15 -3.12 -0.12 0.00 2.01 0.00 0.00 34.83 33.45 3ngb s MET 426 CO 0.08 -0.30 0.95 0.11 -0.01 0.00 0.00 175.02 175.86 3ngb h TRP 427 N 4.53 0.00 -0.17 -0.03 5.08 -1.96 -3.34 115.95 120.06 3ngb h TRP 427 Ca -0.47 0.00 0.05 0.00 1.08 0.00 0.00 58.89 59.55 3ngb h TRP 427 Cb 1.22 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.37 3ngb h TRP 427 CO 0.59 0.66 0.13 1.96 -1.28 0.00 0.00 178.44 180.50 3ngb h GLN 428 N 0.00 0.00 0.00 0.12 7.50 -1.97 -3.46 115.11 117.30 3ngb h GLN 428 Ca -0.14 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.01 3ngb h GLN 428 Cb 1.63 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.16 3ngb h GLN 428 CO 0.06 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.80 3ngb n GLY 429 N -1.53 2.29 3.73 3.46 0.00 -1.25 -5.06 105.19 106.82 3ngb n GLY 429 Ca 0.01 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.37 5.40 0.00 2.61 2.01 -1.26 -4.60 115.64 118.43 3ngb s THR 430 Ca 0.00 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.20 3ngb s THR 430 Cb 0.00 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.03 3ngb s THR 430 CO 0.00 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 3ngb n GLY 431 N 3.55 4.37 3.96 4.40 0.00 -1.26 -4.80 105.19 115.42 3ngb n GLY 431 Ca -0.16 -1.46 -0.22 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.33 3.20 -0.14 1.61 -0.21 -0.37 -1.15 119.66 119.29 3ngb s GLN 432 Ca 0.00 -0.64 -0.10 0.00 0.02 0.00 0.00 55.36 54.64 3ngb s GLN 432 Cb 0.00 -2.69 0.04 0.00 1.00 0.00 0.00 33.01 31.36 3ngb s GLN 432 CO 0.00 -0.02 0.36 0.00 -2.12 0.00 0.00 175.29 173.51 3ngb s ALA 433 N -2.34 -0.88 0.02 6.09 0.00 -0.02 -1.84 121.76 122.80 3ngb s ALA 433 Ca 0.44 1.15 0.02 0.00 0.00 0.00 0.00 51.96 53.57 3ngb s ALA 433 Cb -0.10 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 3ngb s ALA 433 CO 0.35 -0.20 0.04 1.41 0.00 0.00 0.00 175.76 177.35 3ngb s MET 434 N 0.68 2.85 0.35 0.00 1.75 -0.42 -1.65 119.30 122.85 3ngb s MET 434 Ca -0.04 -0.62 0.03 0.00 -1.25 0.00 0.00 55.69 53.81 3ngb s MET 434 Cb -0.05 -2.71 -0.05 0.00 2.84 0.00 0.00 34.83 34.85 3ngb s MET 434 CO -0.04 0.61 0.08 0.71 -0.65 0.00 0.00 175.02 175.72 3ngb s TYR 435 N -1.20 1.87 0.41 4.11 1.51 -0.64 -0.69 117.35 122.73 3ngb s TYR 435 Ca 0.23 -1.07 -0.22 0.00 -1.01 0.00 0.00 57.07 55.00 3ngb s TYR 435 Cb -0.12 -1.22 -0.10 0.00 -0.11 0.00 0.00 41.96 40.41 3ngb s TYR 435 CO 0.14 -0.10 0.97 0.00 -1.11 0.00 0.00 175.55 175.45 3ngb s ALA 436 N -3.31 3.05 0.82 3.71 0.00 -1.26 -4.87 121.76 119.91 3ngb s ALA 436 Ca 0.32 0.48 -0.15 0.00 0.00 0.00 0.00 51.96 52.61 3ngb s ALA 436 Cb 0.07 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 3ngb s ALA 436 CO 0.15 0.05 0.26 -2.30 0.00 0.00 0.00 175.76 173.92 3ngb n PRO 437 N -0.39 0.05 -1.67 0.00 -0.02 -1.26 -4.85 135.00 126.86 3ngb n PRO 437 Ca 0.06 0.05 -0.45 0.00 -2.02 0.00 0.00 63.50 61.14 3ngb n PRO 437 Cb 0.53 -1.67 -0.03 0.00 -0.02 0.00 0.00 33.50 32.31 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 -0.46 2.00 -1.75 0.52 -0.02 -1.26 -4.93 135.00 129.10 3ngb n PRO 438 Ca 0.07 0.71 -0.40 0.00 -2.02 0.00 0.00 63.50 61.87 3ngb n PRO 438 Cb 0.52 -2.37 0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3ngb n PRO 438 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3ngb n ILE 439 N 1.92 2.99 -1.05 4.25 -5.35 -1.26 -4.97 119.36 115.89 3ngb n ILE 439 Ca 0.12 -0.50 -0.31 0.00 -0.27 0.00 0.00 62.75 61.79 3ngb n ILE 439 Cb 0.31 -1.78 0.12 0.00 -1.74 0.00 0.00 39.64 36.56 3ngb n ILE 439 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 3ngb s ASP 440 N -0.57 3.86 0.00 7.28 1.47 -1.26 -4.89 116.67 122.57 3ngb s ASP 440 Ca 0.63 1.99 0.00 0.00 1.18 0.00 0.00 52.55 56.36 3ngb s ASP 440 Cb -0.45 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 39.59 3ngb s ASP 440 CO 0.56 -2.47 0.00 0.61 0.68 0.00 0.00 175.17 174.55 3ngb n GLY 441 N -0.57 -0.48 3.65 2.12 0.00 -1.26 -4.90 105.19 103.75 3ngb n GLY 441 Ca 0.10 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.39 2.68 -3.51 1.61 4.81 -1.26 -4.54 118.16 117.55 3ngb n LYS 442 Ca 0.00 0.95 -0.42 0.00 -0.87 0.00 0.00 58.31 57.97 3ngb n LYS 442 Cb 0.00 -3.04 -0.09 0.00 0.02 0.00 0.00 35.03 31.93 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 5.15 4.62 -0.00 3.15 1.01 -1.01 -4.99 121.20 129.13 3ngb s ILE 443 Ca 0.91 -1.29 0.06 0.00 0.00 0.00 0.00 60.65 60.33 3ngb s ILE 443 Cb -0.43 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 3ngb s ILE 443 CO 0.41 -0.55 -0.19 0.21 0.00 0.00 0.00 174.94 174.82 3ngb s ASN 444 N 2.36 2.24 -0.28 3.58 2.47 -1.26 -0.69 114.94 123.36 3ngb s ASN 444 Ca 0.03 -0.38 0.01 0.00 0.42 0.00 0.00 52.86 52.95 3ngb s ASN 444 Cb -0.24 -0.23 0.16 0.00 -1.45 0.00 0.00 41.25 39.48 3ngb s ASN 444 CO 0.04 0.21 0.42 0.00 -3.72 0.00 0.00 177.10 174.05 3ngb s VAL 446 N 2.57 5.16 0.39 0.00 0.11 -1.26 -2.90 120.40 124.47 3ngb s VAL 446 Ca 0.11 -0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.24 3ngb s VAL 446 Cb -0.13 -3.84 -0.07 0.00 -1.53 0.00 0.00 36.38 30.81 3ngb s VAL 446 CO -0.26 -0.13 0.04 -0.44 -3.33 0.00 0.00 175.10 170.99 3ngb s SER 447 N 1.74 4.06 -0.19 3.54 0.01 0.02 -4.95 113.70 117.93 3ngb s SER 447 Ca 0.12 -1.20 -0.08 0.00 1.31 0.00 0.00 55.95 56.09 3ngb s SER 447 Cb -0.17 -0.44 -0.04 0.00 0.21 0.00 0.00 66.02 65.58 3ngb s SER 447 CO 0.12 -0.40 0.09 0.20 0.41 0.00 0.00 173.24 173.65 3ngb s ASN 448 N -3.75 5.85 -0.64 2.44 0.01 -1.26 -0.32 114.94 117.27 3ngb s ASN 448 Ca 0.36 0.14 -0.24 0.00 -0.71 0.00 0.00 52.86 52.41 3ngb s ASN 448 Cb 0.06 -2.01 0.05 0.00 0.41 0.00 0.00 41.25 39.76 3ngb s ASN 448 CO 0.19 0.18 1.04 -0.63 -1.51 0.00 0.00 177.10 176.37 3ngb s ILE 449 N 0.34 4.20 -0.11 0.60 1.01 -0.53 -0.53 121.20 126.18 3ngb s ILE 449 Ca 0.05 0.08 0.21 0.00 0.00 0.00 0.00 60.65 60.98 3ngb s ILE 449 Cb -0.12 -4.69 -0.24 0.00 0.01 0.00 0.00 42.46 37.42 3ngb s ILE 449 CO -0.01 -1.42 0.54 0.35 0.00 0.00 0.00 174.94 174.40 3ngb n THR 450 N 6.15 0.52 -4.00 2.92 -2.24 -0.39 -2.87 114.28 114.37 3ngb n THR 450 Ca 0.00 -0.60 -0.11 0.00 -2.27 0.00 0.00 64.05 61.07 3ngb n THR 450 Cb 0.47 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 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 -4.72 0.88 -0.04 3.38 0.00 -1.11 -0.89 107.32 104.82 3ngb s GLY 451 Ca -0.07 -1.10 -0.04 0.00 0.00 0.00 0.00 44.72 43.51 3ngb s GLY 451 CO 0.86 -0.71 0.12 -0.42 0.00 0.00 0.00 173.10 172.95 3ngb s ILE 452 N -3.32 0.01 -0.15 0.90 1.01 0.20 -1.83 121.20 118.02 3ngb s ILE 452 Ca 0.24 -0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.78 3ngb s ILE 452 Cb -0.01 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.23 3ngb s ILE 452 CO 0.14 -0.02 0.08 -0.76 0.00 0.00 0.00 174.94 174.38 3ngb s LEU 453 N -0.02 3.97 0.03 2.97 1.43 -0.18 -0.04 118.68 126.84 3ngb s LEU 453 Ca -0.01 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 3ngb s LEU 453 Cb -0.01 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 3ngb s LEU 453 CO 0.00 0.27 -0.07 -0.76 0.23 0.00 0.00 176.35 176.02 3ngb s LEU 454 N -0.19 2.20 -0.17 1.79 1.43 -0.01 -2.04 118.68 121.69 3ngb s LEU 454 Ca 0.08 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 3ngb s LEU 454 Cb -0.12 -0.15 0.03 0.00 0.03 0.00 0.00 46.19 45.98 3ngb s LEU 454 CO 0.01 -0.16 -0.12 -0.89 0.23 0.00 0.00 176.35 175.42 3ngb s THR 455 N -1.13 1.59 0.01 5.49 2.01 0.14 -1.59 115.64 122.16 3ngb s THR 455 Ca -0.08 -0.79 -0.24 0.00 0.31 0.00 0.00 61.69 60.89 3ngb s THR 455 Cb -0.08 -1.57 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 3ngb s THR 455 CO 0.00 0.33 0.74 -0.60 -0.69 0.00 0.00 174.62 174.40 3ngb s ARG 456 N 1.45 4.46 0.80 4.92 3.52 -1.26 -1.57 118.95 131.28 3ngb s ARG 456 Ca 0.02 1.00 -0.11 0.00 -0.13 0.00 0.00 55.73 56.51 3ngb s ARG 456 Cb -0.14 -3.39 0.07 0.00 -1.56 0.00 0.00 34.95 29.93 3ngb s ARG 456 CO -0.10 0.22 1.09 -0.51 -0.81 0.00 0.00 175.30 175.19 3ngb s ASP 457 N 0.20 4.29 0.20 -2.12 -0.00 -1.03 -4.77 116.67 113.44 3ngb s ASP 457 Ca 0.38 1.64 -0.08 0.00 -0.00 0.00 0.00 52.55 54.49 3ngb s ASP 457 Cb -0.20 -2.36 -0.02 0.00 -0.00 0.00 0.00 42.92 40.35 3ngb s ASP 457 CO 0.21 -2.14 0.30 -0.83 -0.00 0.00 0.00 175.17 172.71 3ngb s GLY 458 N -3.51 0.78 0.00 0.21 0.00 -1.26 -4.96 107.32 98.58 3ngb s GLY 458 Ca 0.61 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 44.20 3ngb s GLY 458 CO 0.56 -0.93 0.00 0.61 0.00 0.00 0.00 173.10 173.34 3ngb n GLY 459 N -0.29 3.54 3.72 0.20 0.00 -1.26 -5.11 105.19 105.99 3ngb n GLY 459 Ca -0.03 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.07 3.40 0.95 4.61 0.00 -1.26 -5.14 121.76 124.26 3ngb s ALA 460 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.29 3ngb s ALA 460 Cb 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.24 3ngb s ALA 460 CO 0.00 0.16 0.00 0.09 0.00 0.00 0.00 175.76 176.01 3ngb n ASN 461 N -1.07 0.00 -4.56 0.00 3.02 -1.26 -4.85 115.26 106.54 3ngb n ASN 461 Ca -0.05 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.30 3ngb n ASN 461 Cb 0.60 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.71 3ngb n ASN 461 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ngb s ASN 462 N -1.00 4.24 -0.43 6.41 2.47 -1.26 -4.72 114.94 120.66 3ngb s ASN 462 Ca 0.00 0.03 0.05 0.00 0.42 0.00 0.00 52.86 53.36 3ngb s ASN 462 Cb 0.00 -2.55 0.68 0.00 -1.45 0.00 0.00 41.25 37.93 3ngb s ASN 462 CO 0.00 -3.50 1.89 0.35 -3.72 0.00 0.00 177.10 172.13 3ngb n THR 463 N 8.47 3.15 0.00 -5.21 -2.24 -1.26 -4.92 114.28 112.26 3ngb n THR 463 Ca 0.43 -1.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.31 3ngb n THR 463 Cb 0.46 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3ngb n THR 463 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3ngb n SER 464 N -0.99 0.00 -3.09 3.42 2.88 -1.26 -4.89 113.62 109.68 3ngb n SER 464 Ca 0.56 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 58.01 3ngb n SER 464 Cb 1.62 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 65.09 3ngb n SER 464 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3ngb n ASN 465 N 2.27 1.44 0.00 -3.46 0.23 -1.26 -0.01 115.26 114.48 3ngb n ASN 465 Ca 0.00 -1.69 0.00 0.00 -0.53 0.00 0.00 54.58 52.36 3ngb n ASN 465 Cb 0.00 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 3ngb n ASN 465 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3ngb n GLU 466 N -1.12 1.16 -1.83 -3.83 -0.58 -0.64 -4.78 120.64 109.02 3ngb n GLU 466 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3ngb n GLU 466 Cb 0.24 -0.86 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 3ngb n GLU 466 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3ngb n THR 467 N -1.95-10.74 -4.46 2.62 -1.04 -1.23 -4.22 114.28 93.26 3ngb n THR 467 Ca 0.00 2.51 -0.24 0.00 -2.04 0.00 0.00 64.05 64.28 3ngb n THR 467 Cb 0.36 -4.99 -0.10 0.00 -1.82 0.00 0.00 70.33 63.78 3ngb n THR 467 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3ngb s PHE 468 N -0.42 2.27 0.00 -1.42 0.08 -0.04 -2.48 117.98 115.97 3ngb s PHE 468 Ca 0.00 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.71 3ngb s PHE 468 Cb 0.00 -0.99 -0.00 0.00 -0.57 0.00 0.00 43.02 41.46 3ngb s PHE 468 CO 0.00 0.70 -0.01 1.03 -0.10 0.00 0.00 175.22 176.84 3ngb s ARG 469 N -3.48 0.06 0.07 0.44 0.52 -0.61 -1.08 118.95 114.87 3ngb s ARG 469 Ca 0.29 -0.04 -0.31 0.00 -0.52 0.00 0.00 55.73 55.15 3ngb s ARG 469 Cb -0.05 -0.04 -0.08 0.00 0.52 0.00 0.00 34.95 35.30 3ngb s ARG 469 CO 0.14 0.01 1.65 -2.14 0.02 0.00 0.00 175.30 174.99 3ngb s PRO 470 N -0.07 4.20 0.00 3.54 0.02 -1.26 0.24 135.00 141.67 3ngb s PRO 470 Ca -0.00 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.35 3ngb s PRO 470 Cb -0.01 -3.59 0.00 0.00 0.02 0.00 0.00 34.50 30.92 3ngb s PRO 470 CO -0.00 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 3ngb n GLY 471 N 3.99 3.51 0.00 0.52 0.00 -0.87 -4.58 105.19 107.77 3ngb n GLY 471 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 2.16 2.89 -0.02 0.00 -1.26 -2.17 105.19 106.78 3ngb n GLY 472 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 0.37 3.56 -0.02 0.00 -1.26 -4.88 105.19 102.97 3ngb n GLY 473 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.22 -0.40 0.29 1.61 2.47 -1.26 -5.05 114.94 110.39 3ngb s ASN 474 Ca 0.00 0.62 0.09 0.00 0.42 0.00 0.00 52.86 53.99 3ngb s ASN 474 Cb 0.00 1.26 0.43 0.00 -1.45 0.00 0.00 41.25 41.49 3ngb s ASN 474 CO 0.00 -0.09 1.67 0.40 -3.72 0.00 0.00 177.10 175.35 3ngb h ILE 475 N 5.11 1.37 -0.99 -5.21 5.03 -1.93 -3.00 117.51 117.89 3ngb h ILE 475 Ca -0.24 -1.79 0.25 0.00 -0.12 0.00 0.00 64.86 62.96 3ngb h ILE 475 Cb 1.16 1.92 -0.07 0.00 -3.03 0.00 0.00 36.82 36.81 3ngb h ILE 475 CO 0.17 0.52 0.66 0.11 -0.68 0.00 0.00 178.15 178.93 3ngb h LYS 476 N 0.07 0.30 -0.17 2.37 1.57 -1.96 0.39 116.57 119.14 3ngb h LYS 476 Ca -0.00 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3ngb h LYS 476 Cb 0.95 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 3ngb h LYS 476 CO 0.07 0.20 0.09 -0.44 -0.57 0.00 0.00 179.45 178.81 3ngb h ASP 477 N 0.31 0.20 -0.85 0.86 3.32 -1.92 0.28 116.42 118.62 3ngb h ASP 477 Ca 0.53 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.57 3ngb h ASP 477 Cb 1.49 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.95 3ngb h ASP 477 CO -0.19 0.16 0.53 0.78 -1.72 0.00 0.00 179.24 178.80 3ngb h ASN 478 N 0.23 1.00 0.13 6.45 4.21 -0.40 -1.79 115.58 125.41 3ngb h ASN 478 Ca 0.06 -0.05 -0.19 0.00 1.21 0.00 0.00 56.30 57.33 3ngb h ASN 478 Cb 0.00 -0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 36.95 3ngb h ASN 478 CO -0.01 0.76 -0.73 -0.50 -1.29 0.00 0.00 177.43 175.66 3ngb h TRP 479 N 1.16 0.70 -0.52 1.19 -0.00 -1.00 -3.18 115.95 114.30 3ngb h TRP 479 Ca 0.31 -0.31 -0.02 0.00 -0.00 0.00 0.00 58.89 58.87 3ngb h TRP 479 Cb -0.07 -0.11 -0.03 0.00 -0.00 0.00 0.00 29.16 28.95 3ngb h TRP 479 CO 0.00 1.08 0.23 0.00 -0.00 0.00 0.00 178.44 179.76 3ngb h ARG 480 N 0.36 0.73 0.00 0.49 3.08 -0.69 -0.58 114.38 117.77 3ngb h ARG 480 Ca -0.03 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3ngb h ARG 480 Cb 1.32 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3ngb h ARG 480 CO 0.13 0.59 0.00 -1.13 -1.07 0.00 0.00 179.97 178.49 3ngb n SER 481 N -4.36 0.16 -0.02 7.04 3.41 -0.72 -1.25 113.62 117.88 3ngb n SER 481 Ca 0.04 0.57 -0.03 0.00 -0.26 0.00 0.00 58.87 59.19 3ngb n SER 481 Cb 0.14 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 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 -1.71 2.45 -0.10 4.33 -0.58 -0.73 -4.68 120.64 119.62 3ngb n GLU 482 Ca 0.00 0.01 0.11 0.00 -0.42 0.00 0.00 57.16 56.86 3ngb n GLU 482 Cb 0.05 -1.11 0.32 0.00 -0.57 0.00 0.00 31.44 30.12 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 -2.30 2.29 -0.33 -4.62 4.77 -0.30 -4.41 117.00 112.11 3ngb n LEU 483 Ca -0.08 -0.93 0.12 0.00 -0.03 0.00 0.00 56.01 55.09 3ngb n LEU 483 Cb 0.63 -0.13 0.34 0.00 -2.33 0.00 0.00 43.42 41.93 3ngb n LEU 483 CO 0.08 0.47 1.21 0.10 -1.33 0.00 0.00 177.39 177.92 3ngb h TYR 484 N 3.11 0.97 -0.03 -1.77 -0.00 -1.43 -1.80 116.97 116.03 3ngb h TYR 484 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.76 3ngb h TYR 484 Cb 0.68 -0.30 0.00 0.00 -0.00 0.00 0.00 36.73 37.11 3ngb h TYR 484 CO 0.13 0.29 0.00 0.36 -0.00 0.00 0.00 178.16 178.94 3ngb n LYS 485 N -4.65 1.64 -4.08 0.10 2.85 -1.26 -4.53 118.16 108.22 3ngb n LYS 485 Ca 0.21 -0.93 -0.26 0.00 -1.05 0.00 0.00 58.31 56.28 3ngb n LYS 485 Cb 0.51 -1.47 -0.05 0.00 -0.65 0.00 0.00 35.03 33.37 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 -1.98 3.15 -0.27 5.58 2.02 -0.68 -0.70 117.35 124.47 3ngb s TYR 486 Ca 0.38 -0.03 -0.13 0.00 -0.37 0.00 0.00 57.07 56.92 3ngb s TYR 486 Cb 0.21 -1.50 0.09 0.00 -0.40 0.00 0.00 41.96 40.36 3ngb s TYR 486 CO 0.33 0.52 0.64 0.21 -1.57 0.00 0.00 175.55 175.68 3ngb s LYS 487 N -3.20 0.63 -0.17 -0.62 2.20 -0.31 -4.96 119.74 113.31 3ngb s LYS 487 Ca 0.31 1.25 -0.19 0.00 -0.36 0.00 0.00 55.97 56.99 3ngb s LYS 487 Cb -0.10 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.54 3ngb s LYS 487 CO 0.24 -0.17 0.52 0.08 -0.36 0.00 0.00 175.35 175.65 3ngb s VAL 488 N 2.04 5.12 0.14 4.02 1.01 -1.26 0.21 120.40 131.68 3ngb s VAL 488 Ca -0.08 0.98 0.07 0.00 0.00 0.00 0.00 61.98 62.95 3ngb s VAL 488 Cb -0.08 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3ngb s VAL 488 CO -0.19 0.22 -0.16 0.68 0.00 0.00 0.00 175.10 175.65 3ngb s VAL 489 N 1.35 1.51 -0.25 2.92 -7.23 -0.62 -3.27 120.40 114.81 3ngb s VAL 489 Ca 0.25 -1.78 -0.08 0.00 -1.81 0.00 0.00 61.98 58.56 3ngb s VAL 489 Cb -0.15 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 3ngb s VAL 489 CO 0.10 -0.37 0.09 -1.58 -0.31 0.00 0.00 175.10 173.03 3ngb s GLN 490 N -2.69 3.73 0.05 4.82 0.74 -0.60 -1.31 119.66 124.39 3ngb s GLN 490 Ca 0.11 -0.44 -0.31 0.00 0.05 0.00 0.00 55.36 54.78 3ngb s GLN 490 Cb -0.05 -3.39 -0.07 0.00 1.10 0.00 0.00 33.01 30.59 3ngb s GLN 490 CO 0.04 -0.17 1.56 0.42 -0.55 0.00 0.00 175.29 176.59 3ngb s ILE 491 N 1.61 3.25 0.00 -2.34 1.09 -0.24 -2.51 121.20 122.06 3ngb s ILE 491 Ca 0.06 0.70 0.00 0.00 -1.10 0.00 0.00 60.65 60.31 3ngb s ILE 491 Cb -0.15 -3.45 0.00 0.00 -1.06 0.00 0.00 42.46 37.80 3ngb s ILE 491 CO 0.05 0.00 0.47 -1.84 -0.10 0.00 0.00 174.94 173.52