#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 -0.16 0.04 1.45 -2.14 -1.26 -3.15 118.94 113.72 3ngb s TRP 45 Ca 0.00 -0.19 -0.00 0.00 2.66 0.00 0.00 56.10 58.57 3ngb s TRP 45 Cb 0.00 0.46 -0.03 0.00 -3.10 0.00 0.00 33.47 30.80 3ngb s TRP 45 CO 0.00 -0.97 -0.04 -1.59 -2.66 0.00 0.00 176.95 171.69 3ngb s LYS 46 N -3.87 0.47 0.27 3.25 -2.85 -1.06 -4.95 119.74 110.99 3ngb s LYS 46 Ca 0.09 -0.88 -0.30 0.00 -1.00 0.00 0.00 55.97 53.88 3ngb s LYS 46 Cb -0.02 0.09 -0.11 0.00 -2.06 0.00 0.00 37.83 35.73 3ngb s LYS 46 CO -0.02 -0.06 1.56 -0.51 0.10 0.00 0.00 175.35 176.42 3ngb s ASP 47 N -2.08 6.47 0.08 0.03 1.11 -1.26 -0.80 116.67 120.21 3ngb s ASP 47 Ca -0.06 2.84 -0.23 0.00 0.18 0.00 0.00 52.55 55.28 3ngb s ASP 47 Cb -0.03 -2.63 0.06 0.00 1.07 0.00 0.00 42.92 41.40 3ngb s ASP 47 CO -0.04 -0.85 0.56 0.00 1.18 0.00 0.00 175.17 176.02 3ngb s ALA 48 N 0.15 -1.44 -0.14 5.23 0.00 -1.11 -4.82 121.76 119.63 3ngb s ALA 48 Ca 0.63 0.61 0.00 0.00 0.00 0.00 0.00 51.96 53.20 3ngb s ALA 48 Cb -0.46 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 3ngb s ALA 48 CO 0.44 -0.59 -0.15 -0.51 0.00 0.00 0.00 175.76 174.96 3ngb s ASP 49 N -2.20 3.78 0.08 0.00 1.01 -1.26 -4.34 116.67 113.74 3ngb s ASP 49 Ca -0.03 -0.41 -0.04 0.00 0.71 0.00 0.00 52.55 52.78 3ngb s ASP 49 Cb -0.00 -1.57 -0.03 0.00 1.01 0.00 0.00 42.92 42.33 3ngb s ASP 49 CO -0.05 0.13 0.07 0.28 0.21 0.00 0.00 175.17 175.81 3ngb s THR 50 N 0.54 0.17 -0.20 -1.27 -1.32 -1.26 -5.11 115.64 107.20 3ngb s THR 50 Ca -0.10 -1.61 -0.29 0.00 -1.21 0.00 0.00 61.69 58.48 3ngb s THR 50 Cb -0.16 -1.58 -0.04 0.00 -1.51 0.00 0.00 72.50 69.21 3ngb s THR 50 CO 0.04 -0.76 1.82 -0.89 -2.21 0.00 0.00 174.62 172.62 3ngb s THR 51 N -3.93 3.42 0.81 5.08 2.01 -1.26 -4.99 115.64 116.78 3ngb s THR 51 Ca 0.10 0.46 -0.10 0.00 0.31 0.00 0.00 61.69 62.46 3ngb s THR 51 Cb 0.07 -3.45 0.11 0.00 0.01 0.00 0.00 72.50 69.24 3ngb s THR 51 CO -0.08 -0.21 1.15 -0.76 -0.69 0.00 0.00 174.62 174.04 3ngb s LEU 52 N 6.00 2.71 0.10 4.42 1.43 -1.26 -4.64 118.68 127.44 3ngb s LEU 52 Ca 0.81 0.41 0.04 0.00 -1.03 0.00 0.00 54.13 54.37 3ngb s LEU 52 Cb -0.29 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 3ngb s LEU 52 CO 0.33 -2.05 -0.11 0.72 0.23 0.00 0.00 176.35 175.47 3ngb s PHE 53 N -3.52 1.14 0.25 0.29 -0.71 -1.10 -4.97 117.98 109.36 3ngb s PHE 53 Ca 0.65 -0.64 0.07 0.00 -1.04 0.00 0.00 56.93 55.97 3ngb s PHE 53 Cb -0.08 -0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 41.08 3ngb s PHE 53 CO 0.48 0.03 0.21 0.00 -1.34 0.00 0.00 175.22 174.61 3ngb s ALA 55 N -2.10 -0.47 0.30 0.00 0.00 0.11 -2.16 121.76 117.44 3ngb s ALA 55 Ca 0.33 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 52.87 3ngb s ALA 55 Cb -0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 3ngb s ALA 55 CO 0.25 -0.11 0.40 -1.54 0.00 0.00 0.00 175.76 174.76 3ngb s SER 56 N 0.35 0.66 -0.52 0.00 1.04 -0.68 -0.01 113.70 114.54 3ngb s SER 56 Ca -0.02 -1.38 0.02 0.00 0.48 0.00 0.00 55.95 55.05 3ngb s SER 56 Cb -0.03 0.59 0.54 0.00 0.10 0.00 0.00 66.02 67.22 3ngb s SER 56 CO -0.01 -1.17 1.87 0.47 0.98 0.00 0.00 173.24 175.37 3ngb n ASP 57 N -1.03 5.46 -4.68 7.02 8.00 -1.26 -2.78 116.55 127.28 3ngb n ASP 57 Ca 0.01 -3.72 -0.42 0.00 0.71 0.00 0.00 54.79 51.37 3ngb n ASP 57 Cb 0.62 -0.84 -0.00 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.01 1.09 -2.66 2.24 0.00 -1.26 -4.97 120.51 113.94 3ngb n ALA 58 Ca 0.57 0.32 -0.37 0.00 0.00 0.00 0.00 53.44 53.96 3ngb n ALA 58 Cb 1.10 -2.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.97 3.95 0.42 0.00 1.02 -1.26 -4.97 119.74 116.95 3ngb s LYS 59 Ca 0.58 -0.32 0.08 0.00 0.02 0.00 0.00 55.97 56.33 3ngb s LYS 59 Cb -0.56 -3.59 0.91 0.00 -0.52 0.00 0.00 37.83 34.07 3ngb s LYS 59 CO 0.60 -0.11 2.07 0.00 -0.92 0.00 0.00 175.35 176.99 3ngb h ALA 60 N 8.10 1.74 -0.00 5.17 0.00 -1.93 -1.70 119.26 130.64 3ngb h ALA 60 Ca -0.36 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.31 3ngb h ALA 60 Cb 1.18 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3ngb h ALA 60 CO 0.58 0.24 -0.91 1.12 0.00 0.00 0.00 179.25 180.29 3ngb h HIS 61 N 0.48 0.48 -2.06 0.00 -0.00 -1.97 -3.46 115.15 108.62 3ngb h HIS 61 Ca 0.13 -0.26 -0.62 0.00 -0.00 0.00 0.00 60.37 59.62 3ngb h HIS 61 Cb -0.05 -0.05 0.06 0.00 -0.00 0.00 0.00 27.41 27.37 3ngb h HIS 61 CO 0.00 1.07 0.62 -1.91 -0.00 0.00 0.00 177.93 177.71 3ngb n GLU 62 N -3.71 1.69 0.00 5.12 4.07 -0.64 -4.86 120.64 122.31 3ngb n GLU 62 Ca -0.05 0.61 0.12 0.00 -0.06 0.00 0.00 57.16 57.78 3ngb n GLU 62 Cb 0.82 -2.30 0.25 0.00 -0.06 0.00 0.00 31.44 30.14 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 2.82 0.00 -1.74 6.31 5.66 -1.26 -4.54 114.28 121.53 3ngb n THR 63 Ca 0.17 -0.16 -0.42 0.00 -3.05 0.00 0.00 64.05 60.60 3ngb n THR 63 Cb 0.25 0.65 -0.00 0.00 -1.55 0.00 0.00 70.33 69.68 3ngb n THR 63 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 3ngb n GLU 64 N -0.53 2.38 -0.04 1.09 0.00 -1.26 -4.75 120.64 117.53 3ngb n GLU 64 Ca 0.11 0.84 -0.09 0.00 0.00 0.00 0.00 57.16 58.01 3ngb n GLU 64 Cb 0.38 -2.51 -0.03 0.00 0.00 0.00 0.00 31.44 29.28 3ngb n GLU 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3ngb h VAL 65 N 2.69 0.27 -0.61 6.31 2.07 -1.03 -2.29 116.25 123.66 3ngb h VAL 65 Ca -0.49 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 3ngb h VAL 65 Cb 1.26 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3ngb h VAL 65 CO 0.63 0.00 0.18 0.45 0.02 0.00 0.00 177.57 178.85 3ngb h HIS 66 N -0.34 0.96 -0.04 1.57 3.86 -1.82 -2.56 115.15 116.78 3ngb h HIS 66 Ca 0.12 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 3ngb h HIS 66 Cb 0.54 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 3ngb h HIS 66 CO -0.45 0.78 -0.27 -0.91 0.86 0.00 0.00 177.93 177.94 3ngb h ASN 67 N 0.90 0.07 -0.18 2.45 4.21 -1.78 -1.55 115.58 119.71 3ngb h ASN 67 Ca 0.20 -0.02 -0.16 0.00 1.21 0.00 0.00 56.30 57.53 3ngb h ASN 67 Cb 0.28 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.47 3ngb h ASN 67 CO -0.01 0.35 -0.52 0.58 -1.29 0.00 0.00 177.43 176.54 3ngb h VAL 68 N 0.07 1.32 0.01 2.81 2.07 -1.03 -2.57 116.25 118.93 3ngb h VAL 68 Ca 0.01 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 65.77 3ngb h VAL 68 Cb 0.52 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 3ngb h VAL 68 CO 0.04 0.55 -0.01 -0.25 0.02 0.00 0.00 177.57 177.92 3ngb h TRP 69 N 0.34 -0.02 0.00 1.57 7.01 -1.33 -3.08 115.95 120.45 3ngb h TRP 69 Ca -0.01 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 3ngb h TRP 69 Cb 1.14 0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 28.20 3ngb h TRP 69 CO 0.09 0.30 -0.05 0.00 -2.79 0.00 0.00 178.44 175.99 3ngb h ALA 70 N 0.65 1.53 -0.31 2.65 0.00 -1.35 -1.56 119.26 120.86 3ngb h ALA 70 Ca -0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3ngb h ALA 70 Cb 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3ngb h ALA 70 CO 0.00 0.07 -0.24 1.15 0.00 0.00 0.00 179.25 180.23 3ngb h THR 71 N 0.00 1.30 -0.01 0.00 2.02 -1.37 0.17 112.91 115.02 3ngb h THR 71 Ca -0.00 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.79 3ngb h THR 71 Cb 0.13 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3ngb h THR 71 CO 0.01 0.45 -0.20 0.00 0.37 0.00 0.00 175.52 176.15 3ngb n HIS 72 N -4.29 0.00 0.00 3.16 1.44 -0.95 -4.27 115.22 110.32 3ngb n HIS 72 Ca -0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 3ngb n HIS 72 Cb 0.44 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.50 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 -0.10 1.86 -2.49 1.59 0.00 -0.63 -5.09 120.51 115.66 3ngb n ALA 73 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.35 3ngb n ALA 73 Cb 0.40 0.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 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 -3.10 3.19 0.38 0.00 -7.23 -0.92 -4.69 120.40 108.03 3ngb s VAL 75 Ca 0.35 -1.87 -0.27 0.00 -1.81 0.00 0.00 61.98 58.38 3ngb s VAL 75 Cb 0.08 -2.65 -0.11 0.00 0.56 0.00 0.00 36.38 34.26 3ngb s VAL 75 CO 0.15 -0.26 1.26 -2.65 -0.31 0.00 0.00 175.10 173.30 3ngb n PRO 76 N -0.44 2.00 -1.72 4.82 -0.02 -1.26 -1.68 135.00 136.70 3ngb n PRO 76 Ca -0.08 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3ngb n PRO 76 Cb 0.58 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.72 3ngb n PRO 76 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3ngb n THR 77 N 0.08 1.52 -1.63 3.45 -1.04 -1.12 -4.75 114.28 110.80 3ngb n THR 77 Ca 0.06 -0.38 -0.43 0.00 -2.04 0.00 0.00 64.05 61.26 3ngb n THR 77 Cb 0.37 -1.75 -0.03 0.00 -1.82 0.00 0.00 70.33 67.10 3ngb n THR 77 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3ngb n ASP 78 N 1.35 3.71 -0.16 8.00 4.64 -1.26 -4.85 116.55 127.98 3ngb n ASP 78 Ca 0.06 0.57 0.21 0.00 -1.38 0.00 0.00 54.79 54.26 3ngb n ASP 78 Cb 0.36 -1.53 0.61 0.00 -1.04 0.00 0.00 41.12 39.51 3ngb n ASP 78 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3ngb h PRO 79 N 12.68 0.20 -3.43 -0.67 0.11 -2.04 -3.31 132.00 135.54 3ngb h PRO 79 Ca -0.46 -0.01 -0.61 0.00 0.11 0.00 0.00 66.00 65.04 3ngb h PRO 79 Cb 1.24 -0.05 -0.40 0.00 0.11 0.00 0.00 31.00 31.91 3ngb h PRO 79 CO 0.95 0.13 -0.74 0.54 -0.21 0.00 0.00 178.00 178.68 3ngb s ASN 80 N -5.82 3.96 -0.07 -2.05 4.22 -1.26 -5.10 114.94 108.82 3ngb s ASN 80 Ca -0.07 -2.21 -0.31 0.00 -2.14 0.00 0.00 52.86 48.14 3ngb s ASN 80 Cb 0.21 -1.07 -0.09 0.00 1.28 0.00 0.00 41.25 41.58 3ngb s ASN 80 CO 0.77 -0.34 2.01 -2.65 -2.04 0.00 0.00 177.10 174.85 3ngb n PRO 81 N 4.11 2.41 -3.44 3.55 -0.02 -1.25 -4.94 135.00 135.42 3ngb n PRO 81 Ca 0.04 0.84 -0.43 0.00 -2.02 0.00 0.00 63.50 61.93 3ngb n PRO 81 Cb 0.38 -2.92 -0.06 0.00 -0.02 0.00 0.00 33.50 30.88 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 4.80 2.89 0.33 -0.52 2.00 -1.26 -5.06 119.66 122.84 3ngb s GLN 82 Ca 0.93 -1.96 0.03 0.00 -2.00 0.00 0.00 55.36 52.37 3ngb s GLN 82 Cb -0.52 -4.14 -0.02 0.00 0.80 0.00 0.00 33.01 29.13 3ngb s GLN 82 CO 0.44 -1.26 0.49 -1.83 -0.50 0.00 0.00 175.29 172.63 3ngb s GLU 83 N 1.06 3.31 -0.30 1.67 1.03 -1.26 -4.51 118.70 119.69 3ngb s GLU 83 Ca 0.08 -0.67 -0.02 0.00 0.03 0.00 0.00 54.97 54.39 3ngb s GLU 83 Cb -0.24 -2.76 0.12 0.00 -0.80 0.00 0.00 34.13 30.45 3ngb s GLU 83 CO -0.01 0.15 0.18 0.42 -1.33 0.00 0.00 175.26 174.66 3ngb s ILE 84 N -2.21 -0.10 -0.10 1.83 1.01 0.98 -4.96 121.20 117.65 3ngb s ILE 84 Ca 0.41 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 3ngb s ILE 84 Cb -0.09 -0.99 -0.06 0.00 0.01 0.00 0.00 42.46 41.32 3ngb s ILE 84 CO 0.33 -0.73 1.99 -2.28 0.00 0.00 0.00 174.94 174.25 3ngb s HIS 85 N 1.94 1.40 -0.09 3.97 5.65 -1.26 -0.72 115.29 126.18 3ngb s HIS 85 Ca 0.11 0.08 -0.24 0.00 0.25 0.00 0.00 55.06 55.26 3ngb s HIS 85 Cb -0.17 -4.08 -0.03 0.00 -1.18 0.00 0.00 32.58 27.12 3ngb s HIS 85 CO -0.28 -4.56 0.72 -0.51 -0.65 0.00 0.00 174.74 169.46 3ngb s LEU 86 N 5.93 4.29 0.05 8.88 1.43 -0.86 -4.94 118.68 133.45 3ngb s LEU 86 Ca 0.89 1.17 -0.18 0.00 -1.03 0.00 0.00 54.13 54.98 3ngb s LEU 86 Cb -0.36 -3.10 -0.06 0.00 0.03 0.00 0.00 46.19 42.69 3ngb s LEU 86 CO 0.37 -0.17 0.54 -1.61 0.23 0.00 0.00 176.35 175.70 3ngb s GLU 87 N 1.07 4.15 -1.16 1.70 2.02 -1.26 -4.39 118.70 120.83 3ngb s GLU 87 Ca 0.37 0.67 -0.14 0.00 0.02 0.00 0.00 54.97 55.89 3ngb s GLU 87 Cb -0.18 -3.24 -0.02 0.00 0.10 0.00 0.00 34.13 30.80 3ngb s GLU 87 CO 0.17 0.64 0.79 0.09 0.02 0.00 0.00 175.26 176.96 3ngb n ASN 88 N 1.79 -4.78 -3.84 -0.19 4.13 -1.26 -5.00 115.26 106.11 3ngb n ASN 88 Ca -0.11 -0.93 -0.15 0.00 1.68 0.00 0.00 54.58 55.06 3ngb n ASN 88 Cb 0.51 -3.80 -0.15 0.00 -1.54 0.00 0.00 39.78 34.80 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 -3.50 0.13 -0.16 2.41 0.11 -1.26 -5.13 120.40 112.99 3ngb s VAL 89 Ca 0.39 0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.47 3ngb s VAL 89 Cb -0.12 -0.20 0.04 0.00 -1.53 0.00 0.00 36.38 34.58 3ngb s VAL 89 CO 0.83 0.10 -0.03 0.28 -3.33 0.00 0.00 175.10 172.96 3ngb s THR 90 N 0.66 0.92 0.20 5.04 -1.32 -1.26 -4.31 115.64 115.57 3ngb s THR 90 Ca -0.06 -0.55 0.10 0.00 -1.21 0.00 0.00 61.69 59.96 3ngb s THR 90 Cb -0.09 -1.17 -0.04 0.00 -1.51 0.00 0.00 72.50 69.69 3ngb s THR 90 CO -0.01 0.06 -0.14 -1.61 -2.21 0.00 0.00 174.62 170.71 3ngb s GLU 91 N 1.71 1.88 -0.12 7.08 0.41 -1.18 -4.90 118.70 123.57 3ngb s GLU 91 Ca 0.01 -1.39 -0.14 0.00 -0.41 0.00 0.00 54.97 53.04 3ngb s GLU 91 Cb -0.15 -2.04 -0.05 0.00 -1.78 0.00 0.00 34.13 30.11 3ngb s GLU 91 CO -0.07 0.41 0.32 -0.80 -0.49 0.00 0.00 175.26 174.63 3ngb s ASN 92 N -2.87 6.53 0.01 -0.19 0.01 -1.26 -0.56 114.94 116.61 3ngb s ASN 92 Ca 0.24 0.63 0.04 0.00 -0.71 0.00 0.00 52.86 53.07 3ngb s ASN 92 Cb -0.08 -2.20 -0.03 0.00 0.41 0.00 0.00 41.25 39.35 3ngb s ASN 92 CO 0.14 0.16 -0.11 -0.36 -1.51 0.00 0.00 177.10 175.41 3ngb s PHE 93 N 0.05 2.76 -0.46 2.20 0.08 -1.06 -4.98 117.98 116.56 3ngb s PHE 93 Ca 0.19 -0.12 0.03 0.00 0.12 0.00 0.00 56.93 57.14 3ngb s PHE 93 Cb -0.14 -1.57 0.15 0.00 -0.57 0.00 0.00 43.02 40.90 3ngb s PHE 93 CO 0.06 0.31 0.30 1.21 -0.10 0.00 0.00 175.22 177.01 3ngb s ASN 94 N -1.32 3.09 0.46 1.36 3.84 -1.26 -2.52 114.94 118.58 3ngb s ASN 94 Ca 0.15 -2.88 0.27 0.00 0.21 0.00 0.00 52.86 50.62 3ngb s ASN 94 Cb -0.11 -0.85 1.33 0.00 -0.55 0.00 0.00 41.25 41.06 3ngb s ASN 94 CO 0.06 -0.22 1.76 -0.03 -2.79 0.00 0.00 177.10 175.88 3ngb h MET 95 N 6.25 0.19 -0.01 0.43 1.85 -1.68 -0.04 114.93 121.92 3ngb h MET 95 Ca 0.11 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.19 3ngb h MET 95 Cb 0.90 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.89 3ngb h MET 95 CO 0.45 0.13 -0.18 0.91 -0.40 0.00 0.00 176.91 177.82 3ngb n TRP 96 N -4.46 0.00 -3.01 1.39 7.02 -1.26 -4.13 117.44 112.99 3ngb n TRP 96 Ca 0.28 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.55 3ngb n TRP 96 Cb 1.12 -0.06 -0.02 0.00 -2.42 0.00 0.00 31.31 29.93 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 -0.16 1.89 -4.59 -0.99 4.76 -0.03 -5.07 118.16 113.97 3ngb n LYS 97 Ca 0.14 -3.93 -0.29 0.00 -2.87 0.00 0.00 58.31 51.36 3ngb n LYS 97 Cb 0.38 -1.87 -0.17 0.00 -1.84 0.00 0.00 35.03 31.54 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 -2.92 2.61 0.34 4.39 2.47 -1.23 -4.86 114.94 115.74 3ngb s ASN 98 Ca 0.42 -0.47 0.27 0.00 0.42 0.00 0.00 52.86 53.49 3ngb s ASN 98 Cb 0.34 -1.19 1.05 0.00 -1.45 0.00 0.00 41.25 40.01 3ngb s ASN 98 CO -0.09 0.05 1.79 -1.13 -3.72 0.00 0.00 177.10 173.99 3ngb h ASN 99 N 7.29 0.00 0.09 -4.21 -0.73 -1.96 -2.91 115.58 113.15 3ngb h ASN 99 Ca -0.30 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 57.85 3ngb h ASN 99 Cb 1.19 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.77 3ngb h ASN 99 CO 0.50 0.00 -0.09 0.24 -0.37 0.00 0.00 177.43 177.71 3ngb h MET 100 N 0.00 0.00 -0.28 6.67 2.86 -1.97 -1.67 114.93 120.53 3ngb h MET 100 Ca 0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 3ngb h MET 100 Cb 0.46 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 3ngb h MET 100 CO 0.00 0.09 -0.33 0.28 1.06 0.00 0.00 176.91 178.01 3ngb h VAL 101 N 0.00 1.30 -0.66 -2.22 2.07 -1.89 -2.45 116.25 112.40 3ngb h VAL 101 Ca -0.00 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 3ngb h VAL 101 Cb 0.16 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3ngb h VAL 101 CO 0.01 0.48 0.38 -0.33 0.02 0.00 0.00 177.57 178.13 3ngb h GLU 102 N 0.47 0.91 -0.05 1.57 4.39 -1.48 -0.23 114.58 120.16 3ngb h GLU 102 Ca 0.04 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 3ngb h GLU 102 Cb 0.91 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 3ngb h GLU 102 CO 0.08 0.67 -0.48 1.96 -1.16 0.00 0.00 179.01 180.07 3ngb h GLN 103 N 0.90 0.12 -0.06 2.33 4.20 -1.36 -2.31 115.11 118.92 3ngb h GLN 103 Ca 0.23 -0.06 -0.22 0.00 0.06 0.00 0.00 58.65 58.66 3ngb h GLN 103 Cb 0.01 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.80 3ngb h GLN 103 CO -0.04 0.58 -0.86 1.98 -0.67 0.00 0.00 178.83 179.82 3ngb h MET 104 N 0.09 0.57 0.23 1.46 4.05 -1.08 -2.79 114.93 117.46 3ngb h MET 104 Ca 0.00 -0.53 0.01 0.00 -0.28 0.00 0.00 59.70 58.90 3ngb h MET 104 Cb 0.89 0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.80 3ngb h MET 104 CO 0.07 1.15 -0.28 1.96 0.23 0.00 0.00 176.91 180.04 3ngb h GLN 105 N 0.36 -0.54 -0.43 0.39 1.08 -0.86 0.77 115.11 115.88 3ngb h GLN 105 Ca -0.07 0.04 0.08 0.00 -1.45 0.00 0.00 58.65 57.25 3ngb h GLN 105 Cb 1.48 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 29.01 3ngb h GLN 105 CO 0.16 -0.36 0.29 1.49 -0.95 0.00 0.00 178.83 179.46 3ngb h GLU 106 N -0.56 0.23 0.22 1.46 4.81 -1.46 0.14 114.58 119.42 3ngb h GLU 106 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3ngb h GLU 106 Cb 0.54 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3ngb h GLU 106 CO -0.09 0.15 -0.11 -0.44 -0.73 0.00 0.00 179.01 177.79 3ngb h ASP 107 N 0.24 -0.25 -0.96 1.04 5.19 -1.14 -1.72 116.42 118.82 3ngb h ASP 107 Ca 0.19 -0.26 0.09 0.00 -0.62 0.00 0.00 57.03 56.43 3ngb h ASP 107 Cb 0.46 0.07 -0.08 0.00 0.18 0.00 0.00 39.33 39.97 3ngb h ASP 107 CO -0.04 0.26 0.60 0.58 -3.12 0.00 0.00 179.24 177.52 3ngb h VAL 108 N -0.90 0.98 -0.18 -1.35 2.07 -0.41 0.16 116.25 116.61 3ngb h VAL 108 Ca -0.03 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3ngb h VAL 108 Cb 0.50 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3ngb h VAL 108 CO 0.05 0.18 0.08 0.40 0.02 0.00 0.00 177.57 178.31 3ngb h ILE 109 N 1.01 1.14 -0.32 4.57 2.04 -0.80 -1.89 117.51 123.26 3ngb h ILE 109 Ca 0.45 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 3ngb h ILE 109 Cb 0.34 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3ngb h ILE 109 CO -0.23 0.13 0.06 -1.28 0.00 0.00 0.00 178.15 176.84 3ngb h SER 110 N 0.16 0.43 0.35 1.72 0.87 -0.41 -1.05 113.55 115.62 3ngb h SER 110 Ca 0.06 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 3ngb h SER 110 Cb 0.13 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3ngb h SER 110 CO -0.01 0.44 -0.17 0.25 -0.53 0.00 0.00 176.83 176.82 3ngb h LEU 111 N 0.46 -0.40 -0.81 2.23 6.46 -0.39 -3.09 115.31 119.76 3ngb h LEU 111 Ca 0.11 -0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.78 3ngb h LEU 111 Cb 0.20 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.20 3ngb h LEU 111 CO -0.00 -0.23 0.24 -0.50 -0.62 0.00 0.00 178.44 177.32 3ngb h TRP 112 N -0.54 1.16 -0.13 1.25 4.06 -1.02 -2.18 115.95 118.54 3ngb h TRP 112 Ca -0.05 -0.11 0.04 0.00 2.06 0.00 0.00 58.89 60.83 3ngb h TRP 112 Cb 0.41 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 3ngb h TRP 112 CO -0.03 0.91 0.11 -0.44 -3.56 0.00 0.00 178.44 175.42 3ngb h ASP 113 N 1.08 0.00 -0.23 -3.49 3.45 -1.16 -1.75 116.42 114.32 3ngb h ASP 113 Ca 0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.70 3ngb h ASP 113 Cb 0.29 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 3ngb h ASP 113 CO -0.01 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.66 3ngb n GLN 114 N -4.27 2.58 0.02 3.56 10.64 -1.07 -4.76 117.38 124.08 3ngb n GLN 114 Ca 0.00 -1.79 -0.01 0.00 -1.83 0.00 0.00 57.00 53.37 3ngb n GLN 114 Cb 0.23 -1.19 -0.00 0.00 -0.86 0.00 0.00 30.24 28.41 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 0.27 0.94 -4.65 2.61 7.64 -0.83 -4.98 113.62 114.62 3ngb n SER 115 Ca 0.08 0.13 -0.42 0.00 1.01 0.00 0.00 58.87 59.66 3ngb n SER 115 Cb 0.36 -0.32 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 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 -6.63 4.22 -0.65 -3.43 2.01 -0.72 -4.97 118.68 108.51 3ngb s LEU 116 Ca -0.03 2.08 -0.03 0.00 0.01 0.00 0.00 54.13 56.16 3ngb s LEU 116 Cb 0.00 -3.53 0.17 0.00 0.01 0.00 0.00 46.19 42.84 3ngb s LEU 116 CO 0.04 -0.99 0.47 -1.10 1.01 0.00 0.00 176.35 175.79 3ngb s GLN 117 N 4.14 2.66 0.34 1.70 -0.21 -1.26 -4.81 119.66 122.22 3ngb s GLN 117 Ca 0.72 -2.58 -0.28 0.00 0.02 0.00 0.00 55.36 53.24 3ngb s GLN 117 Cb -0.31 -3.78 -0.10 0.00 1.00 0.00 0.00 33.01 29.82 3ngb s GLN 117 CO 0.28 -1.19 1.28 -2.14 -2.12 0.00 0.00 175.29 171.41 3ngb s PRO 118 N -0.14 4.31 0.19 2.91 0.02 -1.26 -4.45 135.00 136.59 3ngb s PRO 118 Ca 0.18 2.16 -0.11 0.00 0.02 0.00 0.00 61.00 63.25 3ngb s PRO 118 Cb -0.19 -3.02 0.12 0.00 0.02 0.00 0.00 34.50 31.43 3ngb s PRO 118 CO -0.04 -0.20 1.80 0.00 -0.33 0.00 0.00 177.00 178.23 3ngb s VAL 120 N -5.78 0.17 -0.24 0.00 0.11 -1.22 -2.31 120.40 111.13 3ngb s VAL 120 Ca -0.13 -0.71 -0.02 0.00 -2.93 0.00 0.00 61.98 58.19 3ngb s VAL 120 Cb 0.14 -0.26 0.07 0.00 -1.53 0.00 0.00 36.38 34.80 3ngb s VAL 120 CO 0.80 -0.35 0.05 -0.75 -3.33 0.00 0.00 175.10 171.52 3ngb s LYS 121 N -1.10 0.70 -0.34 1.54 2.20 0.42 -1.45 119.74 121.71 3ngb s LYS 121 Ca -0.11 -0.65 -0.14 0.00 -0.36 0.00 0.00 55.97 54.71 3ngb s LYS 121 Cb -0.08 -2.05 -0.02 0.00 -1.51 0.00 0.00 37.83 34.18 3ngb s LYS 121 CO -0.01 -0.76 0.29 -0.51 -0.36 0.00 0.00 175.35 174.00 3ngb s LEU 122 N 1.77 4.46 -0.25 5.43 1.43 -0.40 -1.58 118.68 129.54 3ngb s LEU 122 Ca 0.02 -0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 52.77 3ngb s LEU 122 Cb -0.17 -2.23 0.09 0.00 0.03 0.00 0.00 46.19 43.91 3ngb s LEU 122 CO -0.15 -0.27 0.11 0.28 0.23 0.00 0.00 176.35 176.55 3ngb s THR 123 N 1.86 0.03 0.00 5.49 -1.32 -1.18 -0.90 115.64 119.61 3ngb s THR 123 Ca 0.09 -0.63 0.00 0.00 -1.21 0.00 0.00 61.69 59.93 3ngb s THR 123 Cb -0.17 -0.92 0.00 0.00 -1.51 0.00 0.00 72.50 69.90 3ngb s THR 123 CO 0.11 -0.57 0.00 0.61 -2.21 0.00 0.00 174.62 172.56 3ngb n GLY 124 N 5.21 0.55 0.73 6.08 0.00 -1.26 -2.72 105.19 113.78 3ngb n GLY 124 Ca -0.06 -0.67 0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 0.68 3.90 -0.02 0.00 -1.26 -4.94 105.19 103.55 3ngb n GLY 198 Ca 0.00 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.62 6.40 -0.24 1.61 0.15 -1.10 -5.09 113.70 113.80 3ngb s SER 199 Ca 0.34 0.89 -0.03 0.00 0.70 0.00 0.00 55.95 57.85 3ngb s SER 199 Cb 0.19 -2.22 0.13 0.00 -1.71 0.00 0.00 66.02 62.41 3ngb s SER 199 CO 0.29 -0.39 0.35 0.54 1.20 0.00 0.00 173.24 175.22 3ngb s VAL 200 N -2.41 -0.56 -0.23 4.45 0.11 -1.26 -3.13 120.40 117.38 3ngb s VAL 200 Ca 0.47 -0.07 -0.09 0.00 -2.93 0.00 0.00 61.98 59.36 3ngb s VAL 200 Cb -0.10 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 3ngb s VAL 200 CO 0.36 -0.13 0.12 -0.63 -3.33 0.00 0.00 175.10 171.48 3ngb s ILE 201 N 2.51 5.00 -0.00 7.04 1.09 -0.61 -4.93 121.20 131.29 3ngb s ILE 201 Ca 0.11 0.05 0.06 0.00 -1.10 0.00 0.00 60.65 59.78 3ngb s ILE 201 Cb -0.15 -3.32 -0.03 0.00 -1.06 0.00 0.00 42.46 37.90 3ngb s ILE 201 CO -0.15 0.37 -0.19 -0.54 -0.10 0.00 0.00 174.94 174.33 3ngb s LYS 202 N 1.01 2.20 0.30 2.79 1.02 -1.26 -0.44 119.74 125.35 3ngb s LYS 202 Ca 0.06 -0.89 -0.18 0.00 0.02 0.00 0.00 55.97 54.98 3ngb s LYS 202 Cb -0.14 -2.20 0.07 0.00 -0.52 0.00 0.00 37.83 35.04 3ngb s LYS 202 CO 0.04 0.57 0.91 1.14 -0.92 0.00 0.00 175.35 177.09 3ngb s GLN 203 N -1.00 1.82 0.50 1.68 -2.07 -0.98 -5.03 119.66 114.59 3ngb s GLN 203 Ca 0.12 -1.18 -0.23 0.00 -1.82 0.00 0.00 55.36 52.25 3ngb s GLN 203 Cb -0.10 0.51 -0.06 0.00 -1.09 0.00 0.00 33.01 32.26 3ngb s GLN 203 CO 0.02 -0.85 1.37 0.00 -1.32 0.00 0.00 175.29 174.50 3ngb s ALA 204 N -2.17 2.99 -0.48 2.60 0.00 -1.26 -4.60 121.76 118.83 3ngb s ALA 204 Ca 0.19 1.35 0.08 0.00 0.00 0.00 0.00 51.96 53.58 3ngb s ALA 204 Cb -0.04 -3.56 0.35 0.00 0.00 0.00 0.00 23.12 19.87 3ngb s ALA 204 CO 0.09 -1.24 0.87 0.00 0.00 0.00 0.00 175.76 175.48 3ngb s PRO 206 N -3.07 4.74 0.61 0.00 0.02 -1.26 -4.75 135.00 131.28 3ngb s PRO 206 Ca 0.45 1.40 -0.18 0.00 0.02 0.00 0.00 61.00 62.69 3ngb s PRO 206 Cb 0.32 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.71 3ngb s PRO 206 CO -0.11 0.43 1.18 0.15 -0.33 0.00 0.00 177.00 178.32 3ngb s LYS 207 N -1.51 2.92 0.28 5.54 3.01 -1.26 -4.80 119.74 123.92 3ngb s LYS 207 Ca 0.44 1.72 0.07 0.00 -1.01 0.00 0.00 55.97 57.19 3ngb s LYS 207 Cb -0.23 -1.94 -0.06 0.00 -1.01 0.00 0.00 37.83 34.60 3ngb s LYS 207 CO 0.29 -1.22 -0.07 0.96 0.51 0.00 0.00 175.35 175.82 3ngb s ILE 208 N -1.77 1.70 -0.30 2.17 -4.36 -1.26 -5.11 121.20 112.26 3ngb s ILE 208 Ca 0.75 -2.14 -0.19 0.00 -0.26 0.00 0.00 60.65 58.81 3ngb s ILE 208 Cb -0.28 -2.42 -0.01 0.00 1.25 0.00 0.00 42.46 41.00 3ngb s ILE 208 CO 0.34 -0.32 0.56 -0.55 0.24 0.00 0.00 174.94 175.22 3ngb s SER 209 N -3.44 6.43 -0.24 4.36 0.15 -1.26 -4.66 113.70 115.03 3ngb s SER 209 Ca 0.29 0.34 -0.02 0.00 0.70 0.00 0.00 55.95 57.26 3ngb s SER 209 Cb 0.03 -2.30 0.07 0.00 -1.71 0.00 0.00 66.02 62.12 3ngb s SER 209 CO 0.12 -0.42 0.05 0.12 1.20 0.00 0.00 173.24 174.30 3ngb s PHE 210 N 2.47 1.44 -0.24 3.44 5.36 -1.26 -0.33 117.98 128.86 3ngb s PHE 210 Ca 0.22 -1.28 -0.03 0.00 -0.96 0.00 0.00 56.93 54.87 3ngb s PHE 210 Cb -0.15 -1.33 0.13 0.00 -0.34 0.00 0.00 43.02 41.32 3ngb s PHE 210 CO 0.11 -0.73 0.40 0.34 -1.46 0.00 0.00 175.22 173.88 3ngb s ASP 211 N 1.71 0.07 0.23 6.13 3.68 -1.26 -3.90 116.67 123.33 3ngb s ASP 211 Ca 0.02 0.40 -0.31 0.00 2.13 0.00 0.00 52.55 54.79 3ngb s ASP 211 Cb -0.17 1.21 -0.11 0.00 -1.45 0.00 0.00 42.92 42.39 3ngb s ASP 211 CO -0.14 -0.28 1.64 -2.84 0.13 0.00 0.00 175.17 173.67 3ngb s PRO 212 N 2.57 4.15 0.18 4.34 0.02 -1.26 -4.64 135.00 140.36 3ngb s PRO 212 Ca 0.10 2.53 0.09 0.00 0.02 0.00 0.00 61.00 63.74 3ngb s PRO 212 Cb -0.15 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 3ngb s PRO 212 CO -0.15 -0.67 -0.11 0.96 -0.33 0.00 0.00 177.00 176.70 3ngb s ILE 213 N 0.77 3.12 0.23 2.83 -4.36 -1.26 -4.94 121.20 117.59 3ngb s ILE 213 Ca 0.70 -1.66 -0.31 0.00 -0.26 0.00 0.00 60.65 59.12 3ngb s ILE 213 Cb -0.47 -2.54 -0.10 0.00 1.25 0.00 0.00 42.46 40.60 3ngb s ILE 213 CO 0.37 -0.09 1.53 -2.84 0.24 0.00 0.00 174.94 174.15 3ngb s PRO 214 N -2.76 4.21 -0.11 0.37 0.02 -1.26 -4.32 135.00 131.15 3ngb s PRO 214 Ca 0.24 2.39 0.02 0.00 0.02 0.00 0.00 61.00 63.67 3ngb s PRO 214 Cb -0.09 -3.11 -0.01 0.00 0.02 0.00 0.00 34.50 31.31 3ngb s PRO 214 CO 0.14 -0.55 -0.18 0.42 -0.33 0.00 0.00 177.00 176.51 3ngb s ILE 215 N 0.47 2.66 -0.21 2.83 1.09 0.01 -4.56 121.20 123.50 3ngb s ILE 215 Ca 0.65 -0.81 -0.11 0.00 -1.10 0.00 0.00 60.65 59.28 3ngb s ILE 215 Cb -0.44 -2.08 -0.05 0.00 -1.06 0.00 0.00 42.46 38.83 3ngb s ILE 215 CO 0.39 0.54 0.18 -1.00 -0.10 0.00 0.00 174.94 174.95 3ngb s HIS 216 N 0.25 3.38 -0.27 3.97 3.76 0.98 -2.13 115.29 125.24 3ngb s HIS 216 Ca -0.12 0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 55.04 3ngb s HIS 216 Cb -0.16 -2.24 -0.05 0.00 1.11 0.00 0.00 32.58 31.24 3ngb s HIS 216 CO 0.06 0.19 0.17 0.71 -0.85 0.00 0.00 174.74 175.03 3ngb s TYR 217 N 0.66 3.23 0.49 1.40 2.02 -1.26 0.09 117.35 123.97 3ngb s TYR 217 Ca 0.10 0.10 0.04 0.00 -0.37 0.00 0.00 57.07 56.93 3ngb s TYR 217 Cb -0.12 -2.35 -0.02 0.00 -0.40 0.00 0.00 41.96 39.07 3ngb s TYR 217 CO 0.02 -0.13 0.14 0.00 -1.57 0.00 0.00 175.55 174.00 3ngb s THR 219 N -2.78 2.08 1.11 0.00 -4.23 -0.87 -2.70 115.64 108.25 3ngb s THR 219 Ca 0.23 -1.26 -0.17 0.00 -1.18 0.00 0.00 61.69 59.30 3ngb s THR 219 Cb 0.02 -1.76 0.25 0.00 1.34 0.00 0.00 72.50 72.35 3ngb s THR 219 CO 0.13 0.45 1.16 -2.84 -0.54 0.00 0.00 174.62 172.98 3ngb s PRO 220 N -0.97 -0.47 0.37 3.99 0.02 -1.26 -4.93 135.00 131.74 3ngb s PRO 220 Ca 0.11 -0.07 -0.28 0.00 0.02 0.00 0.00 61.00 60.78 3ngb s PRO 220 Cb -0.10 -1.68 -0.10 0.00 0.02 0.00 0.00 34.50 32.64 3ngb s PRO 220 CO 0.01 -3.21 1.38 0.00 -0.33 0.00 0.00 177.00 174.84 3ngb s ALA 221 N -3.22 3.47 0.00 -1.55 0.00 -1.26 -2.77 121.76 116.43 3ngb s ALA 221 Ca 0.70 1.38 0.00 0.00 0.00 0.00 0.00 51.96 54.05 3ngb s ALA 221 Cb -0.10 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3ngb s ALA 221 CO 0.55 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.87 3ngb n GLY 222 N 0.64 1.96 3.60 0.00 0.00 -1.26 -5.04 105.19 105.09 3ngb n GLY 222 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.49 2.08 0.00 1.61 2.02 -1.11 -0.02 117.35 119.43 3ngb s TYR 223 Ca 0.00 -0.93 -0.28 0.00 -0.37 0.00 0.00 57.07 55.49 3ngb s TYR 223 Cb 0.00 -1.50 0.09 0.00 -0.40 0.00 0.00 41.96 40.15 3ngb s TYR 223 CO 0.00 0.15 0.81 0.54 -1.57 0.00 0.00 175.55 175.48 3ngb s VAL 224 N -2.99 0.00 -0.19 0.71 0.11 -0.22 -4.77 120.40 113.05 3ngb s VAL 224 Ca 0.26 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.23 3ngb s VAL 224 Cb 0.06 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 3ngb s VAL 224 CO 0.13 0.00 0.07 -0.63 -3.33 0.00 0.00 175.10 171.34 3ngb s ILE 225 N -2.66 4.77 -0.33 7.04 1.01 -0.59 -1.26 121.20 129.17 3ngb s ILE 225 Ca 0.01 -0.04 -0.14 0.00 0.00 0.00 0.00 60.65 60.48 3ngb s ILE 225 Cb -0.01 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 3ngb s ILE 225 CO -0.06 0.44 0.31 -0.76 0.00 0.00 0.00 174.94 174.88 3ngb s LEU 226 N 0.52 4.42 -0.44 2.97 1.43 0.16 -0.98 118.68 126.75 3ngb s LEU 226 Ca 0.03 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 52.72 3ngb s LEU 226 Cb -0.13 -2.26 0.04 0.00 0.03 0.00 0.00 46.19 43.88 3ngb s LEU 226 CO 0.01 -0.27 0.37 -0.75 0.23 0.00 0.00 176.35 175.93 3ngb s LYS 227 N 1.90 2.99 0.05 1.70 2.20 -0.90 -2.86 119.74 124.83 3ngb s LYS 227 Ca 0.10 -1.12 -0.31 0.00 -0.36 0.00 0.00 55.97 54.28 3ngb s LYS 227 Cb -0.17 -4.05 -0.07 0.00 -1.51 0.00 0.00 37.83 32.03 3ngb s LYS 227 CO 0.11 -0.90 1.56 0.00 -0.36 0.00 0.00 175.35 175.76 3ngb n ASN 229 N 5.41 2.96 -4.72 0.00 3.02 0.41 -4.89 115.26 117.45 3ngb n ASN 229 Ca 0.15 -1.87 -0.42 0.00 -0.03 0.00 0.00 54.58 52.41 3ngb n ASN 229 Cb 0.42 -0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.39 3ngb n ASN 229 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3ngb s ASP 230 N -1.29 6.45 0.03 6.41 1.01 -1.26 -4.92 116.67 123.11 3ngb s ASP 230 Ca 0.29 2.77 -0.22 0.00 0.71 0.00 0.00 52.55 56.10 3ngb s ASP 230 Cb 0.17 -2.59 -0.15 0.00 1.01 0.00 0.00 42.92 41.36 3ngb s ASP 230 CO 0.24 -0.93 1.37 0.11 0.21 0.00 0.00 175.17 176.17 3ngb h LYS 231 N 7.03 0.26 -1.06 8.23 1.79 -1.98 -3.24 116.57 127.59 3ngb h LYS 231 Ca -0.43 -0.12 -0.59 0.00 -2.18 0.00 0.00 60.65 57.33 3ngb h LYS 231 Cb 1.20 -0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.58 3ngb h LYS 231 CO 0.94 0.61 0.76 0.09 -1.08 0.00 0.00 179.45 180.78 3ngb n ASN 232 N -4.68 6.64 -4.68 0.86 3.02 -1.26 -4.40 115.26 110.76 3ngb n ASN 232 Ca -0.06 -3.64 -0.42 0.00 -0.03 0.00 0.00 54.58 50.43 3ngb n ASN 232 Cb 0.29 -0.95 -0.03 0.00 -0.61 0.00 0.00 39.78 38.49 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 -3.42 3.22 -2.30 3.10 5.36 -1.23 -4.92 117.98 117.80 3ngb s PHE 233 Ca 0.58 1.26 0.23 0.00 -0.96 0.00 0.00 56.93 58.04 3ngb s PHE 233 Cb 0.46 -3.39 0.88 0.00 -0.34 0.00 0.00 43.02 40.64 3ngb s PHE 233 CO 0.02 -1.16 1.63 0.27 -1.46 0.00 0.00 175.22 174.52 3ngb n ASN 234 N 5.30 1.45 0.00 6.13 0.23 -1.26 -4.92 115.26 122.18 3ngb n ASN 234 Ca 0.11 -1.61 0.00 0.00 -0.53 0.00 0.00 54.58 52.54 3ngb n ASN 234 Cb 0.46 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 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 1.11 2.69 3.16 4.83 0.00 -1.26 -4.39 105.19 111.33 3ngb n GLY 235 Ca 0.17 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.74 2.01 0.00 2.61 -4.23 -1.26 -2.17 115.64 110.86 3ngb s THR 236 Ca 0.00 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 3ngb s THR 236 Cb 0.00 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 72.07 3ngb s THR 236 CO 0.00 0.54 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 3ngb n GLY 237 N 4.02 2.99 3.75 3.99 0.00 -1.05 -5.01 105.19 113.88 3ngb n GLY 237 Ca -0.20 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.05 2.95 -0.16 1.61 0.02 -1.26 -2.58 135.00 133.53 3ngb s PRO 238 Ca 0.00 1.82 0.01 0.00 0.02 0.00 0.00 61.00 62.84 3ngb s PRO 238 Cb 0.00 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.61 3ngb s PRO 238 CO 0.00 -1.22 -0.16 0.00 -0.33 0.00 0.00 177.00 175.29 3ngb h LYS 240 N 7.96 0.00 -2.98 0.00 1.57 -1.88 -3.12 116.57 118.12 3ngb h LYS 240 Ca -0.40 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.71 3ngb h LYS 240 Cb 1.14 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 33.07 3ngb h LYS 240 CO 0.56 0.00 -0.27 -1.71 -0.57 0.00 0.00 179.45 177.46 3ngb n ASN 241 N -2.48 3.93 -4.58 0.86 5.15 -1.26 -4.65 115.26 112.22 3ngb n ASN 241 Ca 0.04 -3.25 -0.35 0.00 -0.60 0.00 0.00 54.58 50.42 3ngb n ASN 241 Cb 0.48 -0.90 -0.11 0.00 -0.53 0.00 0.00 39.78 38.72 3ngb n ASN 241 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3ngb s VAL 242 N -1.76 4.57 0.29 3.44 1.01 -1.26 -0.44 120.40 126.24 3ngb s VAL 242 Ca 0.30 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.18 3ngb s VAL 242 Cb -0.01 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.33 3ngb s VAL 242 CO -0.10 0.44 0.13 -1.54 0.00 0.00 0.00 175.10 174.03 3ngb n SER 243 N 3.78 2.30 -3.84 3.32 3.41 -0.99 -2.04 113.62 119.56 3ngb n SER 243 Ca -0.17 -2.10 -0.19 0.00 -0.26 0.00 0.00 58.87 56.15 3ngb n SER 243 Cb 0.52 0.07 -0.16 0.00 -0.26 0.00 0.00 64.21 64.38 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 -2.65 0.77 0.10 4.04 0.15 0.11 -2.12 113.70 114.09 3ngb s SER 244 Ca 0.10 -0.07 -0.00 0.00 0.70 0.00 0.00 55.95 56.67 3ngb s SER 244 Cb -0.01 -0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 63.92 3ngb s SER 244 CO 0.06 -0.09 -0.01 0.68 1.20 0.00 0.00 173.24 175.08 3ngb s VAL 245 N 1.08 0.35 -0.13 4.45 -7.23 -0.15 -0.01 120.40 118.75 3ngb s VAL 245 Ca -0.09 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 3ngb s VAL 245 Cb -0.14 -1.77 -0.24 0.00 0.56 0.00 0.00 36.38 34.80 3ngb s VAL 245 CO -0.01 -0.77 0.33 1.67 -0.31 0.00 0.00 175.10 176.01 3ngb n GLN 246 N -0.02 0.71 -5.14 4.82 7.27 -1.26 -1.55 117.38 122.21 3ngb n GLN 246 Ca -0.10 0.24 -0.31 0.00 0.07 0.00 0.00 57.00 56.90 3ngb n GLN 246 Cb 0.62 -1.69 -0.15 0.00 2.41 0.00 0.00 30.24 31.42 3ngb n GLN 246 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ngb n THR 248 N 2.17 0.00 -2.44 0.00 -2.24 -0.59 -4.96 114.28 106.22 3ngb n THR 248 Ca -0.16 -0.21 -0.23 0.00 -2.27 0.00 0.00 64.05 61.17 3ngb n THR 248 Cb 0.51 -1.05 0.06 0.00 -2.10 0.00 0.00 70.33 67.76 3ngb n THR 248 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3ngb s HIS 249 N -1.92 2.64 -0.32 4.78 -3.43 -1.26 -4.65 115.29 111.14 3ngb s HIS 249 Ca 0.34 0.12 -0.28 0.00 -0.80 0.00 0.00 55.06 54.44 3ngb s HIS 249 Cb -0.04 -3.00 -0.04 0.00 -1.43 0.00 0.00 32.58 28.08 3ngb s HIS 249 CO 0.26 -1.26 2.03 0.20 -2.00 0.00 0.00 174.74 173.97 3ngb s GLY 250 N -4.52 0.53 -0.26 -1.38 0.00 -1.26 -4.46 107.32 95.97 3ngb s GLY 250 Ca 0.60 0.39 -0.04 0.00 0.00 0.00 0.00 44.72 45.68 3ngb s GLY 250 CO 0.42 3.57 -0.01 -0.42 0.00 0.00 0.00 173.10 176.67 3ngb s ILE 251 N 8.07 3.31 0.02 0.90 1.01 -0.90 -4.71 121.20 128.90 3ngb s ILE 251 Ca 0.89 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 3ngb s ILE 251 Cb -0.26 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 3ngb s ILE 251 CO 0.33 0.17 1.05 -0.54 0.00 0.00 0.00 174.94 175.95 3ngb s LYS 252 N 1.40 4.51 -1.11 2.79 1.02 -1.26 -0.81 119.74 126.28 3ngb s LYS 252 Ca 0.01 1.53 -0.17 0.00 0.02 0.00 0.00 55.97 57.37 3ngb s LYS 252 Cb -0.17 -3.43 -0.07 0.00 -0.52 0.00 0.00 37.83 33.65 3ngb s LYS 252 CO -0.02 -0.12 2.13 -2.30 -0.92 0.00 0.00 175.35 174.12 3ngb n PRO 253 N 3.94 2.23 -3.17 -1.68 -0.02 -1.26 -4.91 135.00 130.13 3ngb n PRO 253 Ca 0.07 -2.12 -0.44 0.00 -2.02 0.00 0.00 63.50 59.00 3ngb n PRO 253 Cb 0.49 -3.01 -0.07 0.00 -0.02 0.00 0.00 33.50 30.90 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 3.96 4.90 0.09 -1.45 1.01 -1.26 -4.96 120.40 122.69 3ngb s VAL 254 Ca 0.53 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.80 3ngb s VAL 254 Cb 0.14 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 3ngb s VAL 254 CO 0.01 -0.73 0.92 0.68 0.00 0.00 0.00 175.10 175.98 3ngb s VAL 255 N 2.58 4.58 -0.07 2.92 -7.23 -1.26 -4.87 120.40 117.05 3ngb s VAL 255 Ca 0.15 1.98 -0.31 0.00 -1.81 0.00 0.00 61.98 61.99 3ngb s VAL 255 Cb -0.18 -4.28 0.12 0.00 0.56 0.00 0.00 36.38 32.59 3ngb s VAL 255 CO 0.13 0.31 1.13 -0.94 -0.31 0.00 0.00 175.10 175.42 3ngb s SER 256 N 0.09 -0.17 0.14 4.85 1.04 -1.26 -4.25 113.70 114.15 3ngb s SER 256 Ca 0.46 -0.09 0.09 0.00 0.48 0.00 0.00 55.95 56.89 3ngb s SER 256 Cb -0.23 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 3ngb s SER 256 CO 0.28 -0.41 -0.21 0.42 0.98 0.00 0.00 173.24 174.30 3ngb s THR 257 N -2.67 1.90 0.00 2.02 -4.23 -0.84 -4.87 115.64 106.95 3ngb s THR 257 Ca 0.10 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 3ngb s THR 257 Cb 0.00 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 72.05 3ngb s THR 257 CO -0.04 -0.15 0.00 0.00 -0.54 0.00 0.00 174.62 173.88 3ngb n GLN 258 N 0.64 0.00 -3.81 3.99 6.02 -1.13 -4.26 117.38 118.83 3ngb n GLN 258 Ca -0.16 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.47 3ngb n GLN 258 Cb 0.55 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.76 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 4.39 -0.37 1.08 1.02 -1.26 -0.15 118.68 123.40 3ngb s LEU 259 Ca 0.00 0.54 -0.13 0.00 0.02 0.00 0.00 54.13 54.55 3ngb s LEU 259 Cb 0.00 -2.34 0.00 0.00 0.02 0.00 0.00 46.19 43.87 3ngb s LEU 259 CO 0.00 0.35 0.25 -0.76 0.02 0.00 0.00 176.35 176.21 3ngb s LEU 260 N -1.31 4.72 0.11 1.79 1.43 0.48 -4.79 118.68 121.11 3ngb s LEU 260 Ca 0.20 -0.65 -0.07 0.00 -1.03 0.00 0.00 54.13 52.58 3ngb s LEU 260 Cb -0.13 -2.13 -0.06 0.00 0.03 0.00 0.00 46.19 43.91 3ngb s LEU 260 CO 0.10 -0.32 0.38 -0.76 0.23 0.00 0.00 176.35 175.97 3ngb s LEU 261 N 1.69 4.30 -1.47 1.79 2.01 -1.26 -1.36 118.68 124.38 3ngb s LEU 261 Ca 0.05 0.66 -0.06 0.00 0.01 0.00 0.00 54.13 54.80 3ngb s LEU 261 Cb -0.18 -3.17 0.02 0.00 0.01 0.00 0.00 46.19 42.88 3ngb s LEU 261 CO 0.10 0.10 0.53 0.59 1.01 0.00 0.00 176.35 178.68 3ngb n ASN 262 N 0.43 -5.33 -3.11 2.29 4.13 -0.23 -4.89 115.26 108.54 3ngb n ASN 262 Ca -0.05 -0.29 -0.08 0.00 1.68 0.00 0.00 54.58 55.84 3ngb n ASN 262 Cb 0.52 -4.34 0.03 0.00 -1.54 0.00 0.00 39.78 34.45 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 -1.38 1.56 3.86 7.41 0.00 -1.26 -4.75 105.19 110.63 3ngb n GLY 263 Ca -0.09 -2.11 -0.37 0.00 0.00 0.00 0.00 46.02 43.45 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 -2.48 6.54 0.67 1.61 1.04 -1.26 -4.88 113.70 114.93 3ngb s SER 264 Ca 0.25 0.64 -0.11 0.00 0.48 0.00 0.00 55.95 57.21 3ngb s SER 264 Cb -0.02 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.95 3ngb s SER 264 CO 0.16 0.36 1.06 -0.76 0.98 0.00 0.00 173.24 175.05 3ngb s LEU 265 N -0.97 3.07 0.27 2.42 1.43 -1.26 -4.92 118.68 118.72 3ngb s LEU 265 Ca 0.18 1.32 -0.29 0.00 -1.03 0.00 0.00 54.13 54.30 3ngb s LEU 265 Cb -0.14 -4.24 -0.09 0.00 0.03 0.00 0.00 46.19 41.75 3ngb s LEU 265 CO 0.07 -1.14 1.10 0.00 0.23 0.00 0.00 176.35 176.61 3ngb s ALA 266 N -3.24 3.41 0.00 4.21 0.00 0.18 -4.96 121.76 121.36 3ngb s ALA 266 Ca 0.57 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3ngb s ALA 266 Cb -0.11 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3ngb s ALA 266 CO 0.53 -0.17 0.93 0.39 0.00 0.00 0.00 175.76 177.44 3ngb n GLU 267 N 1.27 0.00 0.00 0.00 -0.58 -1.26 -4.51 120.64 115.55 3ngb n GLU 267 Ca -0.01 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.36 3ngb n GLU 267 Cb 0.45 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 3ngb n GLU 267 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3ngb n GLU 268 N -2.16 0.00 -4.55 3.49 2.13 -1.26 -5.04 120.64 113.24 3ngb n GLU 268 Ca 0.00 0.13 -0.26 0.00 0.66 0.00 0.00 57.16 57.70 3ngb n GLU 268 Cb 0.00 -0.53 -0.10 0.00 0.27 0.00 0.00 31.44 31.08 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 -0.65 1.85 0.36 5.31 -1.05 -1.26 -4.93 118.70 118.34 3ngb s GLU 269 Ca 0.00 -2.07 -0.28 0.00 -0.15 0.00 0.00 54.97 52.47 3ngb s GLU 269 Cb 0.00 -1.17 -0.12 0.00 -0.44 0.00 0.00 34.13 32.40 3ngb s GLU 269 CO 0.00 -0.20 1.42 -0.89 0.95 0.00 0.00 175.26 176.54 3ngb n ILE 270 N -0.88 1.97 -5.09 1.83 5.41 -1.26 -4.72 119.36 116.61 3ngb n ILE 270 Ca -0.06 -0.49 -0.28 0.00 1.00 0.00 0.00 62.75 62.92 3ngb n ILE 270 Cb 0.67 -1.83 -0.16 0.00 -0.71 0.00 0.00 39.64 37.61 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 -1.07 1.74 -0.35 1.39 1.01 -0.55 -5.00 121.20 118.37 3ngb s ILE 271 Ca 0.54 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 3ngb s ILE 271 Cb -0.51 -1.45 0.04 0.00 0.01 0.00 0.00 42.46 40.55 3ngb s ILE 271 CO 0.63 0.49 0.14 -0.63 0.00 0.00 0.00 174.94 175.57 3ngb s ILE 272 N -0.49 3.96 -0.13 2.92 -1.09 -1.26 -0.93 121.20 124.18 3ngb s ILE 272 Ca 0.08 -1.12 -0.05 0.00 -2.23 0.00 0.00 60.65 57.33 3ngb s ILE 272 Cb -0.09 -3.26 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 3ngb s ILE 272 CO -0.01 -0.23 0.05 -0.13 -1.23 0.00 0.00 174.94 173.40 3ngb s ARG 273 N 1.43 3.43 -0.23 2.79 0.52 -0.91 -4.91 118.95 121.07 3ngb s ARG 273 Ca -0.00 -0.32 -0.29 0.00 -0.52 0.00 0.00 55.73 54.59 3ngb s ARG 273 Cb -0.20 -3.03 0.16 0.00 0.52 0.00 0.00 34.95 32.40 3ngb s ARG 273 CO 0.03 0.57 1.17 0.45 0.02 0.00 0.00 175.30 177.54 3ngb s SER 274 N -0.49 -0.23 0.38 0.23 0.15 -1.26 -1.22 113.70 111.26 3ngb s SER 274 Ca 0.10 0.28 0.17 0.00 0.70 0.00 0.00 55.95 57.20 3ngb s SER 274 Cb -0.12 0.23 0.76 0.00 -1.71 0.00 0.00 66.02 65.18 3ngb s SER 274 CO 0.02 -0.19 1.79 -0.08 1.20 0.00 0.00 173.24 175.98 3ngb h GLU 275 N 2.53 0.00 -0.26 5.44 4.81 -1.92 -3.43 114.58 121.75 3ngb h GLU 275 Ca -0.16 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.29 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 0.37 0.01 -0.80 -0.73 0.00 0.00 179.01 178.11 3ngb s ASN 276 N -6.57 -0.42 0.64 1.04 0.01 -1.26 -5.04 114.94 103.34 3ngb s ASN 276 Ca -0.01 0.08 0.38 0.00 -0.71 0.00 0.00 52.86 52.60 3ngb s ASN 276 Cb 0.12 1.28 2.14 0.00 0.41 0.00 0.00 41.25 45.20 3ngb s ASN 276 CO 0.69 -0.08 2.29 -0.07 -1.51 0.00 0.00 177.10 178.42 3ngb h LEU 277 N 7.38 0.00 0.00 0.60 3.38 -1.94 0.90 115.31 125.63 3ngb h LEU 277 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ngb h LEU 277 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3ngb h LEU 277 CO -0.10 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.78 3ngb n THR 278 N -3.38 0.01 -3.87 0.22 -2.24 -1.26 -4.61 114.28 99.16 3ngb n THR 278 Ca -0.03 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.40 3ngb n THR 278 Cb 0.11 -0.51 -0.14 0.00 -2.10 0.00 0.00 70.33 67.70 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 -2.52 4.63 0.47 3.42 3.84 0.31 -5.00 114.94 120.08 3ngb s ASN 279 Ca 0.30 -0.68 0.27 0.00 0.21 0.00 0.00 52.86 52.96 3ngb s ASN 279 Cb 0.20 -1.77 0.82 0.00 -0.55 0.00 0.00 41.25 39.95 3ngb s ASN 279 CO 0.45 -0.12 1.78 -0.55 -2.79 0.00 0.00 177.10 175.87 3ngb h ASN 280 N 8.12 0.00 0.28 -4.21 7.08 -1.82 -2.69 115.58 122.34 3ngb h ASN 280 Ca -0.34 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.88 3ngb h ASN 280 Cb 1.13 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.37 3ngb h ASN 280 CO 0.59 0.09 0.00 0.00 -2.08 0.00 0.00 177.43 176.03 3ngb n ALA 281 N -2.13 2.33 -2.58 4.14 0.00 -1.26 -4.46 120.51 116.55 3ngb n ALA 281 Ca 0.02 -0.13 -0.40 0.00 0.00 0.00 0.00 53.44 52.92 3ngb n ALA 281 Cb 0.44 -1.41 -0.09 0.00 0.00 0.00 0.00 19.45 18.40 3ngb n ALA 281 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3ngb s LYS 282 N -2.34 3.81 0.53 0.00 -0.14 -1.02 -5.06 119.74 115.53 3ngb s LYS 282 Ca 0.29 -0.15 -0.22 0.00 -1.36 0.00 0.00 55.97 54.53 3ngb s LYS 282 Cb 0.17 -3.72 -0.05 0.00 -1.68 0.00 0.00 37.83 32.54 3ngb s LYS 282 CO 0.34 -0.40 1.33 0.95 -0.76 0.00 0.00 175.35 176.81 3ngb s THR 283 N 2.08 2.22 -0.18 2.17 -4.23 -1.26 -4.84 115.64 111.60 3ngb s THR 283 Ca 0.14 0.17 -0.05 0.00 -1.18 0.00 0.00 61.69 60.77 3ngb s THR 283 Cb -0.16 -3.08 -0.03 0.00 1.34 0.00 0.00 72.50 70.57 3ngb s THR 283 CO 0.11 -0.00 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.55 3ngb s ILE 284 N -1.34 4.06 -0.50 2.99 1.01 -0.04 -4.59 121.20 122.80 3ngb s ILE 284 Ca 0.70 -0.29 -0.06 0.00 0.00 0.00 0.00 60.65 61.00 3ngb s ILE 284 Cb -0.39 -2.81 0.13 0.00 0.01 0.00 0.00 42.46 39.40 3ngb s ILE 284 CO 0.46 0.46 0.34 -0.63 0.00 0.00 0.00 174.94 175.57 3ngb s ILE 285 N 0.64 3.91 -0.08 2.92 1.01 -0.36 -0.37 121.20 128.87 3ngb s ILE 285 Ca -0.01 -2.10 -0.30 0.00 0.00 0.00 0.00 60.65 58.24 3ngb s ILE 285 Cb -0.14 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 3ngb s ILE 285 CO 0.02 -0.78 1.23 -0.69 0.00 0.00 0.00 174.94 174.72 3ngb s VAL 286 N 1.00 4.22 -0.30 2.92 1.01 0.72 -2.15 120.40 127.81 3ngb s VAL 286 Ca 0.09 1.53 -0.04 0.00 0.00 0.00 0.00 61.98 63.56 3ngb s VAL 286 Cb -0.23 -3.99 0.04 0.00 0.00 0.00 0.00 36.38 32.20 3ngb s VAL 286 CO -0.03 -0.04 0.04 -2.28 0.00 0.00 0.00 175.10 172.79 3ngb s HIS 287 N 2.57 3.21 0.72 5.22 2.46 -0.10 -0.70 115.29 128.66 3ngb s HIS 287 Ca 0.56 -1.51 -0.11 0.00 0.47 0.00 0.00 55.06 54.47 3ngb s HIS 287 Cb -0.24 -2.18 0.02 0.00 -0.13 0.00 0.00 32.58 30.05 3ngb s HIS 287 CO 0.20 -0.73 1.08 -0.51 -2.47 0.00 0.00 174.74 172.32 3ngb s LEU 288 N 1.36 2.89 0.00 8.88 1.43 -0.73 -1.48 118.68 131.02 3ngb s LEU 288 Ca -0.02 1.28 0.03 0.00 -1.03 0.00 0.00 54.13 54.39 3ngb s LEU 288 Cb -0.19 -4.07 0.01 0.00 0.03 0.00 0.00 46.19 41.97 3ngb s LEU 288 CO 0.00 -1.47 0.46 -0.46 0.23 0.00 0.00 176.35 175.12 3ngb n ASN 289 N -3.11 0.94 -3.61 2.29 6.94 -1.26 0.50 115.26 117.95 3ngb n ASN 289 Ca 0.07 -0.97 -0.28 0.00 -0.02 0.00 0.00 54.58 53.38 3ngb n ASN 289 Cb 0.56 0.27 -0.16 0.00 -2.36 0.00 0.00 39.78 38.08 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 -0.51 0.24 0.60 -3.83 2.20 -1.26 -4.70 119.74 112.49 3ngb s LYS 290 Ca 0.03 -0.36 -0.18 0.00 -0.36 0.00 0.00 55.97 55.09 3ngb s LYS 290 Cb 0.02 -1.65 -0.03 0.00 -1.51 0.00 0.00 37.83 34.66 3ngb s LYS 290 CO 0.05 -0.81 1.20 -1.54 -0.36 0.00 0.00 175.35 173.90 3ngb s SER 291 N 2.05 5.12 -0.08 1.43 1.04 -1.26 -4.98 113.70 117.01 3ngb s SER 291 Ca 0.05 2.38 0.04 0.00 0.48 0.00 0.00 55.95 58.89 3ngb s SER 291 Cb -0.16 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.36 3ngb s SER 291 CO -0.20 -1.64 -0.22 -0.69 0.98 0.00 0.00 173.24 171.47 3ngb s VAL 292 N -1.64 1.86 -0.15 5.02 1.01 -1.05 -4.92 120.40 120.52 3ngb s VAL 292 Ca 0.77 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 3ngb s VAL 292 Cb -0.30 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 3ngb s VAL 292 CO 0.34 0.52 0.98 -0.70 0.00 0.00 0.00 175.10 176.24 3ngb s GLU 293 N 0.30 4.36 -0.31 2.72 2.12 -1.26 -0.74 118.70 125.88 3ngb s GLU 293 Ca -0.15 1.31 -0.05 0.00 0.36 0.00 0.00 54.97 56.44 3ngb s GLU 293 Cb -0.17 -3.57 0.03 0.00 0.26 0.00 0.00 34.13 30.68 3ngb s GLU 293 CO 0.07 -0.39 0.06 -1.50 -0.54 0.00 0.00 175.26 172.96 3ngb s ILE 294 N 2.32 3.59 -0.68 -3.70 2.07 -0.68 -4.37 121.20 119.75 3ngb s ILE 294 Ca 0.45 -1.04 -0.12 0.00 -1.41 0.00 0.00 60.65 58.54 3ngb s ILE 294 Cb -0.17 -2.96 0.17 0.00 0.13 0.00 0.00 42.46 39.63 3ngb s ILE 294 CO 0.14 -0.05 0.59 0.21 -1.91 0.00 0.00 174.94 173.92 3ngb s ASN 295 N 1.40 6.21 0.23 4.50 2.47 -0.61 -1.36 114.94 127.78 3ngb s ASN 295 Ca -0.01 -2.41 -0.09 0.00 0.42 0.00 0.00 52.86 50.77 3ngb s ASN 295 Cb -0.19 -2.12 -0.07 0.00 -1.45 0.00 0.00 41.25 37.43 3ngb s ASN 295 CO 0.01 -0.62 0.55 0.00 -3.72 0.00 0.00 177.10 173.32 3ngb s THR 297 N -1.83 0.00 -0.51 0.00 -1.32 -0.73 -1.52 115.64 109.73 3ngb s THR 297 Ca 0.47 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.98 3ngb s THR 297 Cb -0.11 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.02 3ngb s THR 297 CO 0.22 0.00 0.30 -0.60 -2.21 0.00 0.00 174.62 172.32 3ngb s ARG 298 N -1.06 1.67 0.49 7.08 3.00 0.39 -1.99 118.95 128.52 3ngb s ARG 298 Ca -0.06 -2.43 -0.19 0.00 -1.00 0.00 0.00 55.73 52.05 3ngb s ARG 298 Cb -0.01 -2.75 -0.14 0.00 0.00 0.00 0.00 34.95 32.06 3ngb s ARG 298 CO 0.06 -1.18 0.01 -2.30 0.00 0.00 0.00 175.30 171.88 3ngb n PRO 299 N 3.09 0.08 -2.71 5.12 -0.02 -1.26 -2.80 135.00 136.50 3ngb n PRO 299 Ca 0.11 0.03 -0.40 0.00 -2.02 0.00 0.00 63.50 61.22 3ngb n PRO 299 Cb 0.35 -1.10 -0.06 0.00 -0.02 0.00 0.00 33.50 32.67 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 -1.02 7.59 -0.20 2.55 1.04 -1.26 -4.78 113.70 117.62 3ngb s SER 300 Ca 0.59 1.99 -0.09 0.00 0.48 0.00 0.00 55.95 58.92 3ngb s SER 300 Cb -0.52 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 62.94 3ngb s SER 300 CO 0.64 0.12 0.10 0.21 0.98 0.00 0.00 173.24 175.29 3ngb s ASN 301 N -1.14 5.88 0.00 7.02 3.84 -1.26 -4.87 114.94 124.40 3ngb s ASN 301 Ca 0.42 0.12 0.00 0.00 0.21 0.00 0.00 52.86 53.60 3ngb s ASN 301 Cb -0.27 -2.03 0.00 0.00 -0.55 0.00 0.00 41.25 38.40 3ngb s ASN 301 CO 0.33 0.14 0.00 0.61 -2.79 0.00 0.00 177.10 175.39 3ngb n GLY 321 N 3.77 0.00 0.00 1.21 0.00 -1.26 -5.00 105.19 103.91 3ngb n GLY 321 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3ngb n GLY 321 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ngb n SER 322 N -1.93 0.00 -4.56 1.61 7.64 -1.26 -4.87 113.62 110.24 3ngb n SER 322 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 3ngb n SER 322 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 3ngb n SER 322 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3ngb s GLY 323 N -0.82 0.05 0.00 0.23 0.00 -1.26 -4.85 107.32 100.67 3ngb s GLY 323 Ca 0.00 -1.47 -0.00 0.00 0.00 0.00 0.00 44.72 43.25 3ngb s GLY 323 CO 0.00 3.59 0.00 0.61 0.00 0.00 0.00 173.10 177.30 3ngb n GLY 324 N 6.77 3.13 3.77 0.20 0.00 -1.26 -5.15 105.19 112.65 3ngb n GLY 324 Ca 0.41 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.00 7.29 0.00 1.61 2.15 -1.26 -4.96 116.67 120.50 3ngb s ASP 325 Ca 0.00 1.52 0.30 0.00 0.43 0.00 0.00 52.55 54.81 3ngb s ASP 325 Cb -0.00 -2.47 1.54 0.00 -0.30 0.00 0.00 42.92 41.70 3ngb s ASP 325 CO 0.00 0.17 2.06 2.30 -0.17 0.00 0.00 175.17 179.53 3ngb n ILE 326 N 1.94 0.00 0.66 4.11 -5.35 -1.26 -3.28 119.36 116.18 3ngb n ILE 326 Ca -0.06 -0.01 0.07 0.00 -0.27 0.00 0.00 62.75 62.49 3ngb n ILE 326 Cb 0.49 -0.44 -0.00 0.00 -1.74 0.00 0.00 39.64 37.95 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 -1.20 1.76 -3.08 6.28 1.74 -1.26 -4.83 116.66 116.06 3ngb n ARG 327 Ca 0.16 -0.76 -0.39 0.00 -0.77 0.00 0.00 57.85 56.08 3ngb n ARG 327 Cb 0.23 -1.23 -0.05 0.00 -1.02 0.00 0.00 32.46 30.38 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 -1.79 4.42 0.33 5.56 0.00 -1.20 -0.36 119.74 126.70 3ngb s LYS 328 Ca 0.12 0.87 0.07 0.00 0.00 0.00 0.00 55.97 57.03 3ngb s LYS 328 Cb 0.12 -3.40 -0.03 0.00 0.00 0.00 0.00 37.83 34.53 3ngb s LYS 328 CO 0.37 0.20 0.30 0.00 0.00 0.00 0.00 175.35 176.23 3ngb n ALA 329 N 3.24 0.61 -3.42 0.59 0.00 -1.06 -4.62 120.51 115.85 3ngb n ALA 329 Ca -0.03 -1.89 -0.15 0.00 0.00 0.00 0.00 53.44 51.36 3ngb n ALA 329 Cb 0.51 1.53 -0.07 0.00 0.00 0.00 0.00 19.45 21.42 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 -3.30 -0.50 -0.23 0.00 1.13 -0.84 -1.44 117.35 112.17 3ngb s TYR 330 Ca 0.38 0.96 -0.02 0.00 -1.41 0.00 0.00 57.07 56.98 3ngb s TYR 330 Cb 0.02 0.27 0.01 0.00 -1.10 0.00 0.00 41.96 41.15 3ngb s TYR 330 CO 0.27 -0.47 -0.07 0.00 -2.51 0.00 0.00 175.55 172.78 3ngb s GLU 332 N 1.38 4.21 -0.06 0.00 2.02 -0.37 -0.88 118.70 125.02 3ngb s GLU 332 Ca 0.03 0.39 0.04 0.00 0.02 0.00 0.00 54.97 55.44 3ngb s GLU 332 Cb -0.15 -3.54 0.00 0.00 0.10 0.00 0.00 34.13 30.54 3ngb s GLU 332 CO -0.05 -0.08 -0.16 0.42 0.02 0.00 0.00 175.26 175.41 3ngb s ILE 333 N 1.42 1.41 -0.45 -1.63 1.09 -0.85 -1.58 121.20 120.62 3ngb s ILE 333 Ca 0.24 -0.68 -0.27 0.00 -1.10 0.00 0.00 60.65 58.84 3ngb s ILE 333 Cb -0.15 -1.23 -0.05 0.00 -1.06 0.00 0.00 42.46 39.97 3ngb s ILE 333 CO 0.09 0.41 2.15 0.21 -0.10 0.00 0.00 174.94 177.70 3ngb s ASN 334 N 0.28 5.04 0.23 3.58 3.84 -1.26 -1.88 114.94 124.77 3ngb s ASN 334 Ca -0.09 1.06 -0.06 0.00 0.21 0.00 0.00 52.86 53.98 3ngb s ASN 334 Cb -0.14 -2.51 0.38 0.00 -0.55 0.00 0.00 41.25 38.43 3ngb s ASN 334 CO 0.04 -2.42 1.77 1.23 -2.79 0.00 0.00 177.10 174.92 3ngb h GLY 335 N 17.15 1.10 0.62 1.21 0.00 -1.42 0.11 103.07 121.86 3ngb h GLY 335 Ca -0.29 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 46.86 3ngb h GLY 335 CO 1.12 0.02 -0.14 -0.84 0.00 0.00 0.00 176.54 176.70 3ngb h THR 336 N 0.57 0.65 -0.06 4.70 2.02 -1.89 -1.72 112.91 117.19 3ngb h THR 336 Ca 0.37 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.39 3ngb h THR 336 Cb 0.44 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3ngb h THR 336 CO -0.30 0.00 -0.69 0.50 0.37 0.00 0.00 175.52 175.40 3ngb h LYS 337 N -0.22 0.26 0.26 6.66 3.64 -1.75 -3.14 116.57 122.28 3ngb h LYS 337 Ca 0.06 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 3ngb h LYS 337 Cb 0.30 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3ngb h LYS 337 CO -0.16 0.85 -0.12 2.35 -2.27 0.00 0.00 179.45 180.10 3ngb h TRP 338 N 0.18 -0.32 -0.21 1.91 2.91 -0.66 -3.02 115.95 116.75 3ngb h TRP 338 Ca -0.02 -0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.05 3ngb h TRP 338 Cb 1.23 0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.98 3ngb h TRP 338 CO 0.03 -0.07 0.19 -0.91 -1.03 0.00 0.00 178.44 176.65 3ngb h ASN 339 N -1.03 0.00 -0.19 2.65 4.21 -1.45 0.18 115.58 119.94 3ngb h ASN 339 Ca -0.04 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.43 3ngb h ASN 339 Cb 0.39 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.59 3ngb h ASN 339 CO 0.06 0.00 -0.04 0.11 -1.29 0.00 0.00 177.43 176.27 3ngb h LYS 340 N 0.00 0.37 -0.16 0.81 1.79 -1.61 -1.03 116.57 116.73 3ngb h LYS 340 Ca 0.10 -0.14 -0.11 0.00 -2.18 0.00 0.00 60.65 58.33 3ngb h LYS 340 Cb 0.48 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 3ngb h LYS 340 CO -0.00 0.62 -0.36 0.28 -1.08 0.00 0.00 179.45 178.90 3ngb h VAL 341 N 0.09 1.29 -0.00 0.50 2.07 -0.96 -2.93 116.25 116.31 3ngb h VAL 341 Ca 0.05 -1.43 -0.15 0.00 0.82 0.00 0.00 66.70 65.99 3ngb h VAL 341 Cb 0.47 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3ngb h VAL 341 CO 0.02 0.44 -0.70 0.25 0.02 0.00 0.00 177.57 177.60 3ngb h LEU 342 N 0.29 0.03 -0.54 2.57 5.85 -0.64 -2.44 115.31 120.43 3ngb h LEU 342 Ca 0.03 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.58 3ngb h LEU 342 Cb 0.77 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3ngb h LEU 342 CO 0.06 0.71 -0.55 0.50 -0.34 0.00 0.00 178.44 178.82 3ngb h LYS 343 N 0.01 0.51 -0.33 1.25 3.64 -1.09 -2.52 116.57 118.04 3ngb h LYS 343 Ca -0.01 -0.32 -0.07 0.00 -1.27 0.00 0.00 60.65 58.98 3ngb h LYS 343 Cb 1.23 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 3ngb h LYS 343 CO 0.09 0.93 -0.07 1.96 -2.27 0.00 0.00 179.45 180.09 3ngb h GLN 344 N 0.39 0.54 -0.43 1.90 4.20 -1.37 -2.52 115.11 117.81 3ngb h GLN 344 Ca 0.01 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 3ngb h GLN 344 Cb 1.09 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.78 3ngb h GLN 344 CO 0.10 0.62 0.15 0.28 -0.67 0.00 0.00 178.83 179.30 3ngb h VAL 345 N 0.50 1.22 0.00 -0.54 2.07 -1.13 -2.00 116.25 116.37 3ngb h VAL 345 Ca 0.10 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 3ngb h VAL 345 Cb 0.44 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3ngb h VAL 345 CO 0.02 0.25 -0.18 0.71 0.02 0.00 0.00 177.57 178.40 3ngb h THR 346 N 0.56 0.83 -0.01 2.57 1.35 -1.28 0.12 112.91 117.06 3ngb h THR 346 Ca 0.14 -0.69 -0.14 0.00 -0.55 0.00 0.00 66.41 65.18 3ngb h THR 346 Cb 0.25 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 3ngb h THR 346 CO -0.01 0.17 -0.65 -0.08 -0.25 0.00 0.00 175.52 174.71 3ngb h GLU 347 N 0.00 0.03 0.00 4.72 4.57 -0.98 -1.56 114.58 121.37 3ngb h GLU 347 Ca -0.00 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.03 3ngb h GLU 347 Cb 0.39 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 3ngb h GLU 347 CO 0.02 0.67 -0.80 0.87 -1.18 0.00 0.00 179.01 178.59 3ngb h LYS 348 N 0.02 0.00 -0.11 1.92 1.79 -0.62 -3.26 116.57 116.31 3ngb h LYS 348 Ca -0.01 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 3ngb h LYS 348 Cb 1.15 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 3ngb h LYS 348 CO 0.09 0.45 -0.49 -0.07 -1.08 0.00 0.00 179.45 178.34 3ngb h LEU 349 N 0.00 0.31 0.00 2.94 4.07 -0.53 -3.38 115.31 118.71 3ngb h LEU 349 Ca -0.05 -0.15 -0.35 0.00 0.08 0.00 0.00 57.88 57.41 3ngb h LEU 349 Cb 1.45 -0.09 0.18 0.00 1.08 0.00 0.00 40.66 43.28 3ngb h LEU 349 CO 0.06 0.75 0.08 0.29 -1.08 0.00 0.00 178.44 178.54 3ngb n LYS 350 N -3.96 -3.08 0.00 1.13 5.02 -0.61 -3.07 118.16 113.59 3ngb n LYS 350 Ca -0.02 -1.52 0.00 0.00 -2.02 0.00 0.00 58.31 54.75 3ngb n LYS 350 Cb 0.54 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 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 -4.56 0.00 0.07 1.97 2.13 -1.07 -4.21 120.64 114.97 3ngb n GLU 351 Ca 0.13 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.95 3ngb n GLU 351 Cb 0.52 -0.12 -0.06 0.00 0.27 0.00 0.00 31.44 32.06 3ngb n GLU 351 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3ngb h HIS 352 N 0.00 0.00 -1.34 4.31 3.86 -1.74 -3.37 115.15 116.87 3ngb h HIS 352 Ca 0.00 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.70 3ngb h HIS 352 Cb 0.00 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 28.06 3ngb h HIS 352 CO 0.00 0.63 -0.88 1.19 0.86 0.00 0.00 177.93 179.73 3ngb n PHE 353 N -3.06 2.68 -3.67 2.45 3.72 -1.18 -5.07 117.46 113.33 3ngb n PHE 353 Ca -0.05 -3.00 0.00 0.00 -0.05 0.00 0.00 57.45 54.35 3ngb n PHE 353 Cb 0.83 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 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 -0.35 -1.11 -0.43 4.37 4.13 -1.26 -2.75 115.26 117.87 3ngb n ASN 354 Ca 0.29 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.61 3ngb n ASN 354 Cb 0.71 0.00 0.21 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 -3.27 1.26 -4.54 6.41 4.13 -1.26 -2.59 115.26 115.40 3ngb n ASN 355 Ca 0.00 -1.87 -0.42 0.00 1.68 0.00 0.00 54.58 53.96 3ngb n ASN 355 Cb 0.00 -0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.11 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 0.14 0.98 -2.63 3.52 5.02 -1.11 -4.90 118.16 119.18 3ngb n LYS 357 Ca 0.11 0.35 -0.42 0.00 -2.02 0.00 0.00 58.31 56.33 3ngb n LYS 357 Cb 0.22 -1.75 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 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 -1.29 4.65 -0.31 -0.18 2.01 -1.20 -4.75 115.64 114.57 3ngb s THR 358 Ca 0.63 1.91 -0.20 0.00 0.31 0.00 0.00 61.69 64.34 3ngb s THR 358 Cb -0.62 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 67.66 3ngb s THR 358 CO 0.58 0.09 0.62 -0.63 -0.69 0.00 0.00 174.62 174.58 3ngb s ILE 359 N 1.48 4.95 0.02 1.82 1.09 -1.26 -1.28 121.20 128.01 3ngb s ILE 359 Ca 0.52 0.80 0.07 0.00 -1.10 0.00 0.00 60.65 60.94 3ngb s ILE 359 Cb -0.22 -3.99 -0.02 0.00 -1.06 0.00 0.00 42.46 37.17 3ngb s ILE 359 CO 0.24 -0.15 -0.20 0.27 -0.10 0.00 0.00 174.94 175.00 3ngb s ILE 360 N 2.59 1.61 0.07 2.92 -4.36 -0.89 -5.02 121.20 118.12 3ngb s ILE 360 Ca 0.24 -1.06 0.01 0.00 -0.26 0.00 0.00 60.65 59.59 3ngb s ILE 360 Cb -0.15 -1.38 -0.04 0.00 1.25 0.00 0.00 42.46 42.14 3ngb s ILE 360 CO 0.12 0.29 0.16 -0.36 0.24 0.00 0.00 174.94 175.39 3ngb s PHE 361 N -0.67 3.39 0.02 1.37 0.08 -1.26 -1.29 117.98 119.62 3ngb s PHE 361 Ca 0.07 0.18 -0.08 0.00 0.12 0.00 0.00 56.93 57.23 3ngb s PHE 361 Cb -0.08 -1.70 -0.00 0.00 -0.57 0.00 0.00 43.02 40.66 3ngb s PHE 361 CO 0.01 0.56 0.15 -0.65 -0.10 0.00 0.00 175.22 175.19 3ngb s GLN 362 N -2.48 0.56 0.87 0.44 -1.52 -0.09 -4.84 119.66 112.60 3ngb s GLN 362 Ca 0.33 -0.53 -0.11 0.00 -1.95 0.00 0.00 55.36 53.10 3ngb s GLN 362 Cb -0.13 0.23 0.12 0.00 -0.22 0.00 0.00 33.01 33.01 3ngb s GLN 362 CO 0.26 -0.14 1.16 -2.14 -0.25 0.00 0.00 175.29 174.17 3ngb s PRO 363 N -1.92 1.33 0.25 2.91 0.02 -1.26 -4.13 135.00 132.20 3ngb s PRO 363 Ca -0.10 1.58 -0.31 0.00 0.02 0.00 0.00 61.00 62.19 3ngb s PRO 363 Cb -0.05 -1.76 -0.13 0.00 0.02 0.00 0.00 34.50 32.59 3ngb s PRO 363 CO -0.01 -2.41 1.49 -2.30 -0.33 0.00 0.00 177.00 173.44 3ngb n PRO 364 N -3.86 2.27 0.14 5.54 -0.02 -1.26 -4.89 135.00 132.92 3ngb n PRO 364 Ca 0.12 0.81 0.13 0.00 -2.02 0.00 0.00 63.50 62.54 3ngb n PRO 364 Cb 0.52 -2.52 0.47 0.00 -0.02 0.00 0.00 33.50 31.95 3ngb n PRO 364 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3ngb h SER 365 N 4.58 0.00 0.00 2.55 0.02 -1.94 -3.48 113.55 115.28 3ngb h SER 365 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3ngb h SER 365 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3ngb h SER 365 CO 0.78 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 177.08 3ngb n GLY 366 N 0.43 -1.69 0.00 -3.77 0.00 -1.26 -5.19 105.19 93.71 3ngb n GLY 366 Ca 0.03 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.24 0.78 3.46 -0.02 0.00 -1.26 -4.61 105.19 103.30 3ngb n GLY 367 Ca 0.00 -2.22 -0.29 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.64 0.26 1.61 8.00 -1.26 -4.66 116.55 118.86 3ngb n ASP 368 Ca 0.00 -0.08 0.15 0.00 0.71 0.00 0.00 54.79 55.57 3ngb n ASP 368 Cb 0.00 -1.23 0.52 0.00 -0.02 0.00 0.00 41.12 40.39 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 -2.48 0.00 -0.67 0.64 5.85 -1.97 -1.52 115.31 115.16 3ngb h LEU 369 Ca -0.58 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.14 3ngb h LEU 369 Cb 1.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3ngb h LEU 369 CO 0.46 0.03 0.00 -0.33 -0.34 0.00 0.00 178.44 178.26 3ngb h GLU 370 N 0.00 0.00 0.00 1.25 3.07 -1.90 -2.79 114.58 114.21 3ngb h GLU 370 Ca -0.00 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.42 3ngb h GLU 370 Cb 0.67 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.52 3ngb h GLU 370 CO 0.00 0.00 -2.41 -0.89 -1.40 0.00 0.00 179.01 174.31 3ngb n ILE 371 N -2.74 1.53 0.28 3.13 5.41 -0.82 -4.30 119.36 121.86 3ngb n ILE 371 Ca 0.03 -0.37 0.14 0.00 1.00 0.00 0.00 62.75 63.54 3ngb n ILE 371 Cb 0.36 -1.85 0.82 0.00 -0.71 0.00 0.00 39.64 38.26 3ngb n ILE 371 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3ngb h THR 372 N -0.89 0.53 -2.27 1.39 1.35 -1.40 -3.44 112.91 108.17 3ngb h THR 372 Ca -0.66 -0.30 -0.57 0.00 -0.55 0.00 0.00 66.41 64.33 3ngb h THR 372 Cb 1.62 1.20 -0.14 0.00 -1.73 0.00 0.00 68.15 69.10 3ngb h THR 372 CO -0.37 0.07 -0.71 -0.04 -0.25 0.00 0.00 175.52 174.21 3ngb s MET 373 N -4.36 1.66 -0.78 4.72 -1.94 -1.05 -4.70 119.30 112.85 3ngb s MET 373 Ca -0.04 -1.81 -0.26 0.00 -1.71 0.00 0.00 55.69 51.88 3ngb s MET 373 Cb 0.14 -1.56 -0.01 0.00 2.01 0.00 0.00 34.83 35.41 3ngb s MET 373 CO 0.56 0.20 1.70 -1.58 -0.01 0.00 0.00 175.02 175.89 3ngb s HIS 374 N -2.69 1.96 -0.14 -0.03 2.46 0.12 -4.72 115.29 112.25 3ngb s HIS 374 Ca 0.30 0.32 -0.15 0.00 0.47 0.00 0.00 55.06 56.00 3ngb s HIS 374 Cb -0.00 -4.29 -0.05 0.00 -0.13 0.00 0.00 32.58 28.11 3ngb s HIS 374 CO 0.14 -2.06 0.34 -1.58 -2.47 0.00 0.00 174.74 169.11 3ngb s HIS 375 N 8.00 3.49 0.26 3.88 5.04 -1.26 -1.00 115.29 133.70 3ngb s HIS 375 Ca 0.58 0.68 -0.21 0.00 -1.54 0.00 0.00 55.06 54.57 3ngb s HIS 375 Cb -0.08 -2.38 0.03 0.00 0.04 0.00 0.00 32.58 30.18 3ngb s HIS 375 CO 0.09 0.25 0.70 -0.59 -2.34 0.00 0.00 174.74 172.85 3ngb s PHE 376 N 0.41 -0.23 -0.16 3.88 -0.71 -0.83 -1.98 117.98 118.36 3ngb s PHE 376 Ca 0.19 -0.19 0.00 0.00 -1.04 0.00 0.00 56.93 55.89 3ngb s PHE 376 Cb -0.14 0.68 -0.00 0.00 -1.21 0.00 0.00 43.02 42.35 3ngb s PHE 376 CO 0.06 -1.18 -0.15 1.21 -1.34 0.00 0.00 175.22 173.82 3ngb s ASN 377 N -2.90 3.69 -0.08 1.98 3.84 -1.26 -0.88 114.94 119.33 3ngb s ASN 377 Ca 0.10 -0.46 0.02 0.00 0.21 0.00 0.00 52.86 52.72 3ngb s ASN 377 Cb -0.05 -1.57 0.02 0.00 -0.55 0.00 0.00 41.25 39.10 3ngb s ASN 377 CO 0.04 0.09 -0.12 0.00 -2.79 0.00 0.00 177.10 174.32 3ngb n ARG 379 N 4.13 -1.94 0.00 0.00 3.00 -1.25 0.19 116.66 120.79 3ngb n ARG 379 Ca -0.20 0.68 0.00 0.00 -0.01 0.00 0.00 57.85 58.32 3ngb n ARG 379 Cb 0.51 -5.19 0.00 0.00 0.00 0.00 0.00 32.46 27.78 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 -0.67 2.05 3.82 -0.13 0.00 -1.26 -4.71 105.19 104.28 3ngb n GLY 380 Ca -0.15 0.00 -0.37 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 -0.57 4.14 -0.41 1.61 0.41 0.13 -5.01 118.70 118.99 3ngb s GLU 381 Ca 0.00 0.68 -0.19 0.00 -0.41 0.00 0.00 54.97 55.05 3ngb s GLU 381 Cb 0.00 -3.08 0.02 0.00 -1.78 0.00 0.00 34.13 29.29 3ngb s GLU 381 CO 0.00 0.55 0.56 -0.06 -0.49 0.00 0.00 175.26 175.81 3ngb s PHE 382 N -1.30 3.12 -0.13 1.61 0.08 -1.26 -0.79 117.98 119.31 3ngb s PHE 382 Ca 0.34 -0.09 -0.11 0.00 0.12 0.00 0.00 56.93 57.19 3ngb s PHE 382 Cb -0.18 -3.12 -0.05 0.00 -0.57 0.00 0.00 43.02 39.10 3ngb s PHE 382 CO 0.20 -0.75 0.23 -0.06 -0.10 0.00 0.00 175.22 174.74 3ngb s PHE 383 N 2.53 3.55 -0.31 0.36 0.08 -0.06 -2.30 117.98 121.83 3ngb s PHE 383 Ca 0.19 0.59 0.03 0.00 0.12 0.00 0.00 56.93 57.86 3ngb s PHE 383 Cb -0.15 -2.16 0.08 0.00 -0.57 0.00 0.00 43.02 40.22 3ngb s PHE 383 CO 0.16 0.49 -0.01 0.71 -0.10 0.00 0.00 175.22 176.48 3ngb s TYR 384 N -0.35 3.44 -0.14 0.36 2.02 -0.31 -1.97 117.35 120.41 3ngb s TYR 384 Ca 0.16 -2.66 -0.05 0.00 -0.37 0.00 0.00 57.07 54.15 3ngb s TYR 384 Cb -0.13 -2.46 -0.04 0.00 -0.40 0.00 0.00 41.96 38.93 3ngb s TYR 384 CO 0.04 -0.91 0.05 0.00 -1.57 0.00 0.00 175.55 173.16 3ngb s ASN 386 N -0.33 6.46 -0.56 0.00 3.84 -0.73 0.13 114.94 123.76 3ngb s ASN 386 Ca 0.08 0.03 -0.00 0.00 0.21 0.00 0.00 52.86 53.18 3ngb s ASN 386 Cb -0.12 -2.47 0.47 0.00 -0.55 0.00 0.00 41.25 38.58 3ngb s ASN 386 CO 0.02 -1.16 1.98 0.35 -2.79 0.00 0.00 177.10 175.50 3ngb n THR 387 N 6.44 3.37 0.07 -5.21 -2.24 -1.26 -4.25 114.28 111.20 3ngb n THR 387 Ca 0.06 -2.46 -0.13 0.00 -2.27 0.00 0.00 64.05 59.26 3ngb n THR 387 Cb 0.48 -1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 67.62 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 0.98 0.99 -0.03 4.28 2.02 -1.95 -3.13 112.91 116.07 3ngb h THR 388 Ca 0.57 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3ngb h THR 388 Cb 1.35 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 3ngb h THR 388 CO 1.34 0.20 0.00 0.00 0.37 0.00 0.00 175.52 177.43 3ngb n GLN 389 N -4.98 1.10 0.08 6.66 10.64 -1.26 -2.72 117.38 126.89 3ngb n GLN 389 Ca -0.09 -0.15 0.00 0.00 -1.83 0.00 0.00 57.00 54.93 3ngb n GLN 389 Cb 0.25 -1.27 -0.04 0.00 -0.86 0.00 0.00 30.24 28.32 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 0.30 0.00 -6.09 2.61 5.85 -1.85 -3.36 115.31 112.77 3ngb h LEU 390 Ca 0.00 0.00 -0.63 0.00 0.84 0.00 0.00 57.88 58.09 3ngb h LEU 390 Cb 0.07 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 40.70 3ngb h LEU 390 CO 0.00 0.60 -0.40 0.49 -0.34 0.00 0.00 178.44 178.79 3ngb n PHE 391 N -3.09 3.57 -3.14 1.25 3.01 -1.10 -4.99 117.46 112.96 3ngb n PHE 391 Ca -0.04 -3.91 -0.42 0.00 1.01 0.00 0.00 57.45 54.09 3ngb n PHE 391 Cb 0.81 -0.64 -0.07 0.00 -0.01 0.00 0.00 39.48 39.57 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 -2.58 6.34 0.57 4.37 3.84 -1.26 -4.81 114.94 121.41 3ngb s ASN 392 Ca 0.41 -0.17 0.30 0.00 0.21 0.00 0.00 52.86 53.61 3ngb s ASN 392 Cb 0.17 -2.31 1.74 0.00 -0.55 0.00 0.00 41.25 40.30 3ngb s ASN 392 CO -0.03 -0.67 2.21 0.78 -2.79 0.00 0.00 177.10 176.60 3ngb h ASN 393 N 8.69 0.00 0.23 -4.21 2.35 -1.94 -2.94 115.58 117.76 3ngb h ASN 393 Ca -0.26 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 3ngb h ASN 393 Cb 1.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.48 3ngb h ASN 393 CO 0.85 0.04 -0.11 0.74 -1.65 0.00 0.00 177.43 177.30 3ngb h THR 394 N 0.00 0.77 -0.09 2.81 2.02 -1.94 -2.94 112.91 113.55 3ngb h THR 394 Ca -0.00 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 3ngb h THR 394 Cb 0.10 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3ngb h THR 394 CO 0.00 0.17 -0.03 0.00 0.37 0.00 0.00 175.52 176.03 3ngb h ILE 396 N 0.12 0.04 0.00 0.00 -0.00 -1.59 -3.36 117.51 112.73 3ngb h ILE 396 Ca 0.03 -0.97 0.00 0.00 -0.00 0.00 0.00 64.86 63.92 3ngb h ILE 396 Cb 0.14 1.94 0.00 0.00 -0.00 0.00 0.00 36.82 38.90 3ngb h ILE 396 CO 0.01 0.02 0.00 0.61 -0.00 0.00 0.00 178.15 178.79 3ngb n GLY 397 N 0.93 -2.13 3.88 8.18 0.00 -0.67 -4.77 105.19 110.62 3ngb n GLY 397 Ca 0.03 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 3ngb n GLY 397 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ngb s ASN 404 N -1.73 3.56 0.13 1.61 0.01 -1.26 -4.88 114.94 112.38 3ngb s ASN 404 Ca 0.00 0.57 -0.12 0.00 -0.71 0.00 0.00 52.86 52.60 3ngb s ASN 404 Cb 0.00 -0.85 -0.05 0.00 0.41 0.00 0.00 41.25 40.76 3ngb s ASN 404 CO 0.00 -2.48 1.48 -0.33 -1.51 0.00 0.00 177.10 174.26 3ngb h GLU 405 N -1.46 0.88 0.00 -0.60 3.07 -1.94 -1.75 114.58 112.78 3ngb h GLU 405 Ca -0.46 -0.44 -0.00 0.00 -0.50 0.00 0.00 59.36 57.96 3ngb h GLU 405 Cb 1.29 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.20 3ngb h GLU 405 CO 0.51 1.09 -0.01 0.00 -1.40 0.00 0.00 179.01 179.21 3ngb h THR 406 N 0.69 0.09 0.00 1.13 1.03 -1.98 -2.40 112.91 111.48 3ngb h THR 406 Ca 0.07 -0.08 -0.32 0.00 -0.01 0.00 0.00 66.41 66.06 3ngb h THR 406 Cb 0.90 1.07 -0.06 0.00 -1.07 0.00 0.00 68.15 69.00 3ngb h THR 406 CO 0.08 0.01 -2.00 0.23 -0.01 0.00 0.00 175.52 173.83 3ngb n MET 407 N -3.20 0.66 0.00 0.00 2.81 -1.02 -4.06 117.12 112.31 3ngb n MET 407 Ca -0.03 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 3ngb n MET 407 Cb 0.11 -1.68 0.02 0.00 -0.71 0.00 0.00 33.22 30.95 3ngb n MET 407 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 3ngb n LYS 408 N -2.92 0.60 0.00 0.03 -0.00 -0.69 -3.87 118.16 111.32 3ngb n LYS 408 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.07 3ngb n LYS 408 Cb 1.10 -1.01 0.00 0.00 -0.00 0.00 0.00 35.03 35.11 3ngb n LYS 408 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ngb n GLY 409 N 0.11 1.02 0.38 2.58 0.00 -1.24 -2.47 105.19 105.57 3ngb n GLY 409 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3ngb n GLY 409 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ngb n ASN 411 N -0.83 0.00 0.00 0.00 0.23 -1.03 -4.86 115.26 108.77 3ngb n ASN 411 Ca 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.16 3ngb n ASN 411 Cb 0.71 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.41 3ngb n ASN 411 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ngb n GLY 412 N 2.37 1.11 2.69 4.83 0.00 -1.26 -4.79 105.19 110.15 3ngb n GLY 412 Ca 0.00 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 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 0.41 -0.33 2.61 2.01 -1.26 -1.05 115.64 118.03 3ngb s THR 413 Ca 0.00 -0.67 -0.18 0.00 0.31 0.00 0.00 61.69 61.16 3ngb s THR 413 Cb 0.00 -1.06 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 3ngb s THR 413 CO 0.00 -0.37 0.51 0.27 -0.69 0.00 0.00 174.62 174.34 3ngb s ILE 414 N 1.89 5.03 -0.26 1.82 -4.36 -0.79 -4.91 121.20 119.63 3ngb s ILE 414 Ca 0.03 0.48 -0.12 0.00 -0.26 0.00 0.00 60.65 60.78 3ngb s ILE 414 Cb -0.17 -3.92 -0.05 0.00 1.25 0.00 0.00 42.46 39.58 3ngb s ILE 414 CO -0.15 -0.13 0.23 0.42 0.24 0.00 0.00 174.94 175.55 3ngb s THR 415 N 2.37 5.29 -0.07 8.37 -4.23 -1.26 -2.00 115.64 124.11 3ngb s THR 415 Ca 0.19 0.29 -0.17 0.00 -1.18 0.00 0.00 61.69 60.83 3ngb s THR 415 Cb -0.15 -3.57 -0.05 0.00 1.34 0.00 0.00 72.50 70.07 3ngb s THR 415 CO 0.12 0.27 0.44 -0.76 -0.54 0.00 0.00 174.62 174.15 3ngb s LEU 416 N 1.53 4.35 -0.46 4.79 1.43 -0.05 -4.89 118.68 125.38 3ngb s LEU 416 Ca 0.10 0.85 -0.28 0.00 -1.03 0.00 0.00 54.13 53.77 3ngb s LEU 416 Cb -0.15 -2.63 -0.01 0.00 0.03 0.00 0.00 46.19 43.43 3ngb s LEU 416 CO 0.08 0.14 1.70 -2.84 0.23 0.00 0.00 176.35 175.67 3ngb s PRO 417 N -0.06 3.15 0.43 1.29 0.02 -1.26 -1.71 135.00 136.86 3ngb s PRO 417 Ca 0.24 0.97 0.08 0.00 0.02 0.00 0.00 61.00 62.31 3ngb s PRO 417 Cb -0.16 -4.22 -0.00 0.00 0.02 0.00 0.00 34.50 30.14 3ngb s PRO 417 CO 0.11 -2.09 0.47 0.00 -0.33 0.00 0.00 177.00 175.16 3ngb s LYS 419 N -4.25 0.77 -0.56 0.00 -2.85 -0.81 -2.56 119.74 109.49 3ngb s LYS 419 Ca 0.51 0.71 -0.20 0.00 -1.00 0.00 0.00 55.97 55.99 3ngb s LYS 419 Cb -0.06 0.37 0.08 0.00 -2.06 0.00 0.00 37.83 36.16 3ngb s LYS 419 CO 0.30 -0.13 0.71 0.42 0.10 0.00 0.00 175.35 176.75 3ngb s ILE 420 N 0.00 4.78 0.47 3.79 1.01 0.52 -1.16 121.20 130.61 3ngb s ILE 420 Ca -0.02 -0.68 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 3ngb s ILE 420 Cb -0.04 -4.43 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 3ngb s ILE 420 CO 0.02 -1.03 0.84 -0.54 0.00 0.00 0.00 174.94 174.24 3ngb s LYS 421 N 2.85 3.71 -0.00 2.79 1.02 -0.97 -4.85 119.74 124.28 3ngb s LYS 421 Ca 0.15 0.50 0.01 0.00 0.02 0.00 0.00 55.97 56.65 3ngb s LYS 421 Cb -0.21 -2.30 -0.01 0.00 -0.52 0.00 0.00 37.83 34.78 3ngb s LYS 421 CO 0.09 -0.20 0.04 1.04 -0.92 0.00 0.00 175.35 175.40 3ngb n GLN 422 N -1.83 4.11 -3.65 1.68 6.02 -1.26 -4.43 117.38 118.02 3ngb n GLN 422 Ca 0.03 -0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.63 3ngb n GLN 422 Cb 0.54 -0.73 -0.10 0.00 1.02 0.00 0.00 30.24 30.97 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 -1.47 3.84 0.27 5.09 1.01 -1.26 -1.19 121.20 127.48 3ngb s ILE 423 Ca 0.00 -2.06 0.10 0.00 0.00 0.00 0.00 60.65 58.69 3ngb s ILE 423 Cb 0.01 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 3ngb s ILE 423 CO 0.04 -0.77 -0.06 0.27 0.00 0.00 0.00 174.94 174.42 3ngb s ILE 424 N 1.06 3.16 -0.42 2.92 -4.36 -0.66 -4.95 121.20 117.95 3ngb s ILE 424 Ca 0.08 -2.05 -0.19 0.00 -0.26 0.00 0.00 60.65 58.23 3ngb s ILE 424 Cb -0.24 -2.68 0.02 0.00 1.25 0.00 0.00 42.46 40.82 3ngb s ILE 424 CO -0.03 -0.38 0.53 0.20 0.24 0.00 0.00 174.94 175.51 3ngb s ASN 425 N -3.60 6.26 0.26 4.36 0.02 -1.26 -1.04 114.94 119.94 3ngb s ASN 425 Ca 0.31 -0.46 -0.31 0.00 -1.02 0.00 0.00 52.86 51.38 3ngb s ASN 425 Cb -0.06 -2.27 -0.13 0.00 0.02 0.00 0.00 41.25 38.82 3ngb s ASN 425 CO 0.18 -0.65 1.48 0.23 0.02 0.00 0.00 177.10 178.36 3ngb n MET 426 N 5.88 2.28 0.00 -0.60 2.81 -0.81 -4.90 117.12 121.79 3ngb n MET 426 Ca -0.05 0.81 -0.04 0.00 -1.81 0.00 0.00 57.70 56.61 3ngb n MET 426 Cb 0.48 -2.51 -0.11 0.00 -0.71 0.00 0.00 33.22 30.36 3ngb n MET 426 CO 0.00 0.00 0.00 -2.67 1.51 0.00 0.00 175.97 174.81 3ngb n TRP 427 N 1.97 1.00 -0.22 2.03 4.27 -1.26 -4.11 117.44 121.11 3ngb n TRP 427 Ca 0.10 0.35 0.02 0.00 -3.89 0.00 0.00 57.50 54.09 3ngb n TRP 427 Cb 0.33 -1.14 0.14 0.00 -1.36 0.00 0.00 31.31 29.28 3ngb n TRP 427 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 3ngb h GLN 428 N 0.00 0.33 0.00 -2.67 7.50 -1.97 -3.46 115.11 114.84 3ngb h GLN 428 Ca -0.22 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 58.91 3ngb h GLN 428 Cb 1.81 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 29.26 3ngb h GLN 428 CO 0.06 0.22 0.00 0.41 -1.50 0.00 0.00 178.83 178.02 3ngb n GLY 429 N -1.32 3.98 3.84 3.46 0.00 -1.26 -5.09 105.19 108.81 3ngb n GLY 429 Ca 0.11 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 3ngb n GLY 429 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ngb s THR 430 N -0.78 4.97 0.00 2.61 2.01 -1.26 -4.62 115.64 118.57 3ngb s THR 430 Ca 0.00 0.79 0.00 0.00 0.31 0.00 0.00 61.69 62.79 3ngb s THR 430 Cb 0.00 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.79 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 1.35 3.11 3.65 4.40 0.00 -1.26 -4.77 105.19 111.67 3ngb n GLY 431 Ca -0.10 -1.91 -0.26 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.29 2.35 0.05 1.61 -0.21 -0.08 -1.93 119.66 119.17 3ngb s GLN 432 Ca 0.00 -1.20 0.02 0.00 0.02 0.00 0.00 55.36 54.21 3ngb s GLN 432 Cb 0.00 -2.29 -0.03 0.00 1.00 0.00 0.00 33.01 31.69 3ngb s GLN 432 CO 0.00 0.43 -0.08 0.00 -2.12 0.00 0.00 175.29 173.52 3ngb s ALA 433 N -1.87 0.65 -0.07 6.09 0.00 -0.20 -1.28 121.76 125.07 3ngb s ALA 433 Ca 0.28 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.49 3ngb s ALA 433 Cb -0.09 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 3ngb s ALA 433 CO 0.19 -0.01 -0.25 1.41 0.00 0.00 0.00 175.76 177.10 3ngb s MET 434 N -1.67 2.68 0.26 0.00 1.75 -0.53 -1.66 119.30 120.14 3ngb s MET 434 Ca -0.08 -0.89 0.10 0.00 -1.25 0.00 0.00 55.69 53.56 3ngb s MET 434 Cb -0.10 -2.19 -0.05 0.00 2.84 0.00 0.00 34.83 35.33 3ngb s MET 434 CO 0.00 0.32 -0.17 0.71 -0.65 0.00 0.00 175.02 175.24 3ngb s TYR 435 N -0.02 2.09 0.55 4.11 1.51 -0.34 0.00 117.35 125.26 3ngb s TYR 435 Ca -0.08 -0.44 -0.18 0.00 -1.01 0.00 0.00 57.07 55.35 3ngb s TYR 435 Cb -0.15 -0.96 -0.06 0.00 -0.11 0.00 0.00 41.96 40.68 3ngb s TYR 435 CO 0.05 0.57 1.08 0.00 -1.11 0.00 0.00 175.55 176.14 3ngb s ALA 436 N -2.69 2.74 0.77 3.71 0.00 -1.26 -4.80 121.76 120.22 3ngb s ALA 436 Ca 0.28 0.64 -0.16 0.00 0.00 0.00 0.00 51.96 52.71 3ngb s ALA 436 Cb -0.03 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 3ngb s ALA 436 CO 0.12 -0.68 0.23 -2.30 0.00 0.00 0.00 175.76 173.13 3ngb n PRO 437 N -1.46 0.13 -1.58 0.00 -0.02 -1.26 -4.88 135.00 125.92 3ngb n PRO 437 Ca 0.10 0.07 -0.39 0.00 -2.02 0.00 0.00 63.50 61.27 3ngb n PRO 437 Cb 0.52 -1.60 0.04 0.00 -0.02 0.00 0.00 33.50 32.43 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 -0.12 0.95 -2.32 0.52 -0.02 -1.26 -4.96 135.00 127.80 3ngb n PRO 438 Ca 0.07 0.36 -0.40 0.00 -2.02 0.00 0.00 63.50 61.51 3ngb n PRO 438 Cb 0.51 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 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 -1.48 3.16 0.85 4.25 -4.36 -1.26 -5.02 121.20 117.34 3ngb s ILE 439 Ca 0.70 1.14 -0.10 0.00 -0.26 0.00 0.00 60.65 62.14 3ngb s ILE 439 Cb -0.47 -3.72 0.11 0.00 1.25 0.00 0.00 42.46 39.63 3ngb s ILE 439 CO 0.52 0.25 1.12 1.51 0.24 0.00 0.00 174.94 178.58 3ngb s ASP 440 N -0.77 3.63 0.00 4.36 1.47 -1.26 -4.87 116.67 119.22 3ngb s ASP 440 Ca 0.48 1.99 0.00 0.00 1.18 0.00 0.00 52.55 56.20 3ngb s ASP 440 Cb -0.35 -2.53 0.00 0.00 -0.34 0.00 0.00 42.92 39.70 3ngb s ASP 440 CO 0.45 -2.62 0.00 0.61 0.68 0.00 0.00 175.17 174.29 3ngb n GLY 441 N -0.47 1.22 3.64 2.12 0.00 -1.26 -4.92 105.19 105.52 3ngb n GLY 441 Ca 0.10 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.35 3.76 -0.66 1.61 2.20 -1.26 -4.43 119.74 118.62 3ngb s LYS 442 Ca 0.00 2.17 -0.13 0.00 -0.36 0.00 0.00 55.97 57.65 3ngb s LYS 442 Cb 0.00 -4.18 0.17 0.00 -1.51 0.00 0.00 37.83 32.31 3ngb s LYS 442 CO 0.00 -1.37 0.58 0.42 -0.36 0.00 0.00 175.35 174.63 3ngb s ILE 443 N 5.73 5.05 0.06 5.43 1.01 -1.12 -4.96 121.20 132.40 3ngb s ILE 443 Ca 0.86 -2.13 0.08 0.00 0.00 0.00 0.00 60.65 59.46 3ngb s ILE 443 Cb -0.35 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 37.90 3ngb s ILE 443 CO 0.36 -0.92 -0.23 0.21 0.00 0.00 0.00 174.94 174.36 3ngb s ASN 444 N 2.50 2.72 -0.30 3.58 2.47 -1.26 -0.46 114.94 124.19 3ngb s ASN 444 Ca 0.11 -0.59 -0.07 0.00 0.42 0.00 0.00 52.86 52.74 3ngb s ASN 444 Cb -0.20 -0.21 0.15 0.00 -1.45 0.00 0.00 41.25 39.54 3ngb s ASN 444 CO -0.03 0.17 0.62 0.00 -3.72 0.00 0.00 177.10 174.13 3ngb s VAL 446 N 2.87 5.27 0.38 0.00 -7.23 -1.26 -2.77 120.40 117.66 3ngb s VAL 446 Ca 0.04 0.54 0.04 0.00 -1.81 0.00 0.00 61.98 60.78 3ngb s VAL 446 Cb -0.13 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.20 3ngb s VAL 446 CO -0.19 0.57 0.10 -0.44 -0.31 0.00 0.00 175.10 174.83 3ngb s SER 447 N -0.88 2.63 -0.35 4.85 0.01 -0.47 -4.96 113.70 114.54 3ngb s SER 447 Ca 0.19 -1.57 -0.03 0.00 1.31 0.00 0.00 55.95 55.85 3ngb s SER 447 Cb -0.14 0.31 0.07 0.00 0.21 0.00 0.00 66.02 66.47 3ngb s SER 447 CO 0.08 -0.82 0.09 0.20 0.41 0.00 0.00 173.24 173.20 3ngb s ASN 448 N -3.57 5.11 -0.48 2.44 -0.87 -1.26 -1.69 114.94 114.62 3ngb s ASN 448 Ca 0.28 -1.49 -0.27 0.00 -1.57 0.00 0.00 52.86 49.80 3ngb s ASN 448 Cb 0.05 -1.79 -0.02 0.00 -0.02 0.00 0.00 41.25 39.47 3ngb s ASN 448 CO 0.14 -0.37 1.86 -0.63 -2.57 0.00 0.00 177.10 175.53 3ngb s ILE 449 N 1.25 3.40 -0.70 0.60 1.01 0.08 -1.07 121.20 125.77 3ngb s ILE 449 Ca 0.00 0.33 0.10 0.00 0.00 0.00 0.00 60.65 61.08 3ngb s ILE 449 Cb -0.21 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.44 3ngb s ILE 449 CO -0.01 -0.64 0.53 0.35 0.00 0.00 0.00 174.94 175.16 3ngb n THR 450 N 7.34 0.00 -3.49 2.92 -2.24 -0.46 -2.52 114.28 115.83 3ngb n THR 450 Ca 0.22 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 3ngb n THR 450 Cb 0.50 1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 69.75 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 -1.67 -0.52 0.01 3.38 0.00 -1.21 -1.78 107.32 105.53 3ngb s GLY 451 Ca 0.06 1.06 0.06 0.00 0.00 0.00 0.00 44.72 45.90 3ngb s GLY 451 CO 0.34 0.55 -0.18 -0.42 0.00 0.00 0.00 173.10 173.38 3ngb s ILE 452 N -2.52 1.46 -0.21 0.90 1.01 0.12 -0.39 121.20 121.57 3ngb s ILE 452 Ca -0.02 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.65 3ngb s ILE 452 Cb -0.01 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 3ngb s ILE 452 CO -0.04 0.31 0.06 -0.76 0.00 0.00 0.00 174.94 174.51 3ngb s LEU 453 N -0.71 3.61 0.10 2.97 1.43 0.79 -0.20 118.68 126.68 3ngb s LEU 453 Ca 0.07 -0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.17 3ngb s LEU 453 Cb -0.08 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 3ngb s LEU 453 CO 0.00 0.08 -0.17 -0.76 0.23 0.00 0.00 176.35 175.73 3ngb s LEU 454 N 0.96 2.31 -0.06 1.79 1.43 0.50 -0.27 118.68 125.34 3ngb s LEU 454 Ca 0.04 -0.68 0.03 0.00 -1.03 0.00 0.00 54.13 52.48 3ngb s LEU 454 Cb -0.14 -0.68 0.01 0.00 0.03 0.00 0.00 46.19 45.41 3ngb s LEU 454 CO 0.03 -0.03 -0.13 -0.89 0.23 0.00 0.00 176.35 175.55 3ngb s THR 455 N -1.39 1.18 0.10 5.49 2.01 0.06 -0.86 115.64 122.24 3ngb s THR 455 Ca 0.04 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.40 3ngb s THR 455 Cb -0.09 -1.07 -0.06 0.00 0.01 0.00 0.00 72.50 71.29 3ngb s THR 455 CO 0.03 0.36 0.47 -0.60 -0.69 0.00 0.00 174.62 174.20 3ngb s ARG 456 N 0.57 3.88 0.16 4.92 3.52 -1.26 -1.60 118.95 129.14 3ngb s ARG 456 Ca -0.13 0.34 -0.28 0.00 -0.13 0.00 0.00 55.73 55.53 3ngb s ARG 456 Cb -0.15 -2.98 -0.07 0.00 -1.56 0.00 0.00 34.95 30.18 3ngb s ARG 456 CO 0.04 0.53 0.87 -0.51 -0.81 0.00 0.00 175.30 175.42 3ngb s ASP 457 N -1.69 7.48 0.02 -2.12 -0.00 -0.72 -4.86 116.67 114.78 3ngb s ASP 457 Ca 0.35 1.75 0.03 0.00 -0.00 0.00 0.00 52.55 54.68 3ngb s ASP 457 Cb -0.15 -2.55 -0.01 0.00 -0.00 0.00 0.00 42.92 40.21 3ngb s ASP 457 CO 0.18 0.11 -0.09 -0.83 -0.00 0.00 0.00 175.17 174.54 3ngb s GLY 458 N -0.76 0.48 0.00 0.21 0.00 -1.26 -4.75 107.32 101.25 3ngb s GLY 458 Ca 0.40 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.59 3ngb s GLY 458 CO 0.29 -0.51 0.00 0.61 0.00 0.00 0.00 173.10 173.48 3ngb n GLY 459 N 2.31 0.07 3.39 0.20 0.00 -1.26 -5.13 105.19 104.77 3ngb n GLY 459 Ca -0.17 0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 2.76 -0.49 4.61 0.00 -1.26 -4.97 121.76 122.41 3ngb s ALA 460 Ca 0.00 -0.93 0.26 0.00 0.00 0.00 0.00 51.96 51.29 3ngb s ALA 460 Cb 0.00 -1.41 0.78 0.00 0.00 0.00 0.00 23.12 22.50 3ngb s ALA 460 CO 0.00 0.09 1.75 -2.95 0.00 0.00 0.00 175.76 174.65 3ngb h ASN 461 N 7.00 0.00 -0.61 0.00 7.08 -2.02 -3.39 115.58 123.65 3ngb h ASN 461 Ca -0.31 0.00 -0.68 0.00 -3.08 0.00 0.00 56.30 52.24 3ngb h ASN 461 Cb 1.20 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 37.37 3ngb h ASN 461 CO 0.59 0.00 2.43 -3.20 -2.08 0.00 0.00 177.43 175.17 3ngb n ASN 462 N -2.61 4.58 0.00 6.14 5.15 -1.26 -3.99 115.26 123.27 3ngb n ASN 462 Ca 0.04 -2.89 0.00 0.00 -0.60 0.00 0.00 54.58 51.13 3ngb n ASN 462 Cb 0.41 -1.72 0.00 0.00 -0.53 0.00 0.00 39.78 37.94 3ngb n ASN 462 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 3ngb n THR 463 N 6.08 0.00 -0.69 -0.44 5.66 -1.26 -5.02 114.28 118.61 3ngb n THR 463 Ca 0.50 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.50 3ngb n THR 463 Cb 0.44 -0.04 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 3ngb n THR 463 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3ngb n SER 464 N -1.78 -0.26 -3.78 1.09 7.64 -1.26 -4.93 113.62 110.34 3ngb n SER 464 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 3ngb n SER 464 Cb 0.00 -1.67 -0.14 0.00 -1.01 0.00 0.00 64.21 61.40 3ngb n SER 464 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3ngb s ASN 465 N -2.33 -0.13 0.02 6.43 2.20 -1.26 -3.21 114.94 116.65 3ngb s ASN 465 Ca 0.00 0.30 -0.20 0.00 -0.94 0.00 0.00 52.86 52.02 3ngb s ASN 465 Cb 0.00 0.24 -0.06 0.00 -2.00 0.00 0.00 41.25 39.43 3ngb s ASN 465 CO 0.00 -0.11 0.58 -1.61 -2.94 0.00 0.00 177.10 173.03 3ngb s GLU 466 N 0.71 4.28 -0.16 3.55 0.41 -0.41 -4.86 118.70 122.23 3ngb s GLU 466 Ca -0.05 0.73 -0.04 0.00 -0.41 0.00 0.00 54.97 55.19 3ngb s GLU 466 Cb -0.07 -3.31 -0.03 0.00 -1.78 0.00 0.00 34.13 28.94 3ngb s GLU 466 CO -0.04 0.46 -0.01 0.99 -0.49 0.00 0.00 175.26 176.17 3ngb s THR 467 N -0.48 4.10 0.16 3.63 2.01 -1.26 -2.09 115.64 121.71 3ngb s THR 467 Ca 0.30 -0.28 0.11 0.00 0.31 0.00 0.00 61.69 62.13 3ngb s THR 467 Cb -0.19 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 3ngb s THR 467 CO 0.18 0.49 -0.24 -0.36 -0.69 0.00 0.00 174.62 174.00 3ngb s PHE 468 N 0.29 2.33 -0.00 4.92 0.08 -0.41 -1.75 117.98 123.43 3ngb s PHE 468 Ca -0.02 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.68 3ngb s PHE 468 Cb -0.14 -1.20 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 3ngb s PHE 468 CO 0.02 0.43 0.00 1.03 -0.10 0.00 0.00 175.22 176.61 3ngb s ARG 469 N -2.42 0.00 -0.10 0.44 0.52 -0.63 -0.92 118.95 115.85 3ngb s ARG 469 Ca 0.18 0.01 -0.32 0.00 -0.52 0.00 0.00 55.73 55.09 3ngb s ARG 469 Cb -0.09 -0.02 -0.10 0.00 0.52 0.00 0.00 34.95 35.26 3ngb s ARG 469 CO 0.09 -0.01 2.01 -2.30 0.02 0.00 0.00 175.30 175.10 3ngb n PRO 470 N 3.16 2.25 0.00 3.54 -0.02 -1.26 -0.76 135.00 141.92 3ngb n PRO 470 Ca -0.13 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3ngb n PRO 470 Cb 0.59 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 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 4.91 3.65 0.00 -1.23 0.00 0.63 -4.63 105.19 108.52 3ngb n GLY 471 Ca 0.25 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 3.00 0.90 1.37 -0.02 0.00 -1.26 -2.83 105.19 106.34 3ngb n GLY 472 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 2.64 3.54 -0.02 0.00 -1.26 -4.99 105.19 105.10 3ngb n GLY 473 Ca 0.00 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 0.37 6.08 0.41 1.61 2.47 -1.26 -4.97 114.94 119.65 3ngb s ASN 474 Ca 0.00 -0.31 0.14 0.00 0.42 0.00 0.00 52.86 53.11 3ngb s ASN 474 Cb 0.00 -2.15 0.88 0.00 -1.45 0.00 0.00 41.25 38.54 3ngb s ASN 474 CO 0.00 -0.22 1.92 0.40 -3.72 0.00 0.00 177.10 175.47 3ngb h ILE 475 N 5.48 1.18 -0.97 -5.21 5.03 -1.94 -2.73 117.51 118.35 3ngb h ILE 475 Ca -0.32 -0.93 0.22 0.00 -0.12 0.00 0.00 64.86 63.72 3ngb h ILE 475 Cb 1.16 1.50 -0.12 0.00 -3.03 0.00 0.00 36.82 36.33 3ngb h ILE 475 CO 0.63 0.26 0.54 0.11 -0.68 0.00 0.00 178.15 179.02 3ngb h LYS 476 N 0.00 0.56 -0.01 2.37 1.57 -1.95 0.23 116.57 119.35 3ngb h LYS 476 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3ngb h LYS 476 Cb 0.48 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3ngb h LYS 476 CO 0.04 0.37 0.01 -0.44 -0.57 0.00 0.00 179.45 178.85 3ngb h ASP 477 N 0.58 0.00 -0.60 0.86 3.32 -1.92 -0.03 116.42 118.63 3ngb h ASP 477 Ca 0.60 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.60 3ngb h ASP 477 Cb 1.09 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 3ngb h ASP 477 CO -0.46 0.00 0.18 0.78 -1.72 0.00 0.00 179.24 178.02 3ngb h ASN 478 N 0.00 0.90 0.68 6.45 4.21 -0.69 -2.63 115.58 124.50 3ngb h ASN 478 Ca 0.00 -0.16 -0.18 0.00 1.21 0.00 0.00 56.30 57.17 3ngb h ASN 478 Cb 0.02 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 36.96 3ngb h ASN 478 CO -0.00 0.86 -0.84 -0.50 -1.29 0.00 0.00 177.43 175.65 3ngb h TRP 479 N 0.93 0.16 -0.69 1.19 -0.00 -1.03 -3.23 115.95 113.29 3ngb h TRP 479 Ca 0.21 -0.09 -0.03 0.00 -0.00 0.00 0.00 58.89 58.97 3ngb h TRP 479 Cb 0.29 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.16 29.40 3ngb h TRP 479 CO 0.02 0.90 0.29 0.00 -0.00 0.00 0.00 178.44 179.65 3ngb h ARG 480 N 0.06 1.00 0.00 0.49 3.08 -1.07 -1.16 114.38 116.78 3ngb h ARG 480 Ca -0.03 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3ngb h ARG 480 Cb 1.47 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3ngb h ARG 480 CO 0.12 0.80 0.00 -1.13 -1.07 0.00 0.00 179.97 178.69 3ngb n SER 481 N -4.31 0.00 0.00 7.04 3.41 -1.01 -1.41 113.62 117.33 3ngb n SER 481 Ca 0.06 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3ngb n SER 481 Cb 0.16 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.11 2.65 -0.56 4.33 -0.58 -0.83 -4.70 120.64 119.84 3ngb n GLU 482 Ca 0.06 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.90 3ngb n GLU 482 Cb 0.05 -0.98 0.34 0.00 -0.57 0.00 0.00 31.44 30.28 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 -1.77 4.56 -0.13 -4.62 4.77 -0.50 -4.52 117.00 114.78 3ngb n LEU 483 Ca 0.00 -2.38 -0.03 0.00 -0.03 0.00 0.00 56.01 53.57 3ngb n LEU 483 Cb 0.32 -0.55 0.20 0.00 -2.33 0.00 0.00 43.42 41.06 3ngb n LEU 483 CO 0.00 0.84 0.99 0.10 -1.33 0.00 0.00 177.39 177.99 3ngb h TYR 484 N 3.97 0.85 -0.44 -1.77 -0.00 -1.50 -2.87 116.97 115.21 3ngb h TYR 484 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 58.73 58.66 3ngb h TYR 484 Cb 1.36 -0.25 0.00 0.00 -0.00 0.00 0.00 36.73 37.83 3ngb h TYR 484 CO 0.70 0.70 0.00 0.36 -0.00 0.00 0.00 178.16 179.92 3ngb n LYS 485 N -4.29 2.15 -4.25 0.10 2.85 -1.26 -4.56 118.16 108.90 3ngb n LYS 485 Ca 0.04 -1.78 -0.25 0.00 -1.05 0.00 0.00 58.31 55.27 3ngb n LYS 485 Cb 0.21 -1.41 -0.08 0.00 -0.65 0.00 0.00 35.03 33.11 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 -1.41 2.76 -0.29 5.58 2.02 -1.09 -0.68 117.35 124.24 3ngb s TYR 486 Ca 0.34 -0.18 -0.16 0.00 -0.37 0.00 0.00 57.07 56.70 3ngb s TYR 486 Cb 0.18 -1.29 0.12 0.00 -0.40 0.00 0.00 41.96 40.58 3ngb s TYR 486 CO 0.25 0.56 0.86 0.21 -1.57 0.00 0.00 175.55 175.86 3ngb s LYS 487 N -3.28 0.50 -0.19 -0.62 2.20 -1.13 -4.93 119.74 112.28 3ngb s LYS 487 Ca 0.29 0.90 -0.18 0.00 -0.36 0.00 0.00 55.97 56.62 3ngb s LYS 487 Cb -0.08 0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 3ngb s LYS 487 CO 0.19 -0.11 0.48 0.08 -0.36 0.00 0.00 175.35 175.63 3ngb s VAL 488 N 1.57 5.14 0.15 4.02 1.01 -1.26 -0.66 120.40 130.37 3ngb s VAL 488 Ca -0.09 0.88 0.07 0.00 0.00 0.00 0.00 61.98 62.84 3ngb s VAL 488 Cb -0.05 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3ngb s VAL 488 CO -0.17 0.22 -0.14 0.68 0.00 0.00 0.00 175.10 175.69 3ngb s VAL 489 N 1.41 1.48 -0.15 2.92 -7.23 -0.39 -2.76 120.40 115.67 3ngb s VAL 489 Ca 0.23 -1.92 -0.05 0.00 -1.81 0.00 0.00 61.98 58.43 3ngb s VAL 489 Cb -0.15 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 3ngb s VAL 489 CO 0.09 -0.50 0.01 -1.58 -0.31 0.00 0.00 175.10 172.81 3ngb s GLN 490 N -3.09 3.65 -0.05 4.82 0.74 0.02 -1.06 119.66 124.69 3ngb s GLN 490 Ca 0.14 -0.43 -0.29 0.00 0.05 0.00 0.00 55.36 54.83 3ngb s GLN 490 Cb -0.03 -3.00 -0.02 0.00 1.10 0.00 0.00 33.01 31.06 3ngb s GLN 490 CO 0.04 0.35 0.97 0.42 -0.55 0.00 0.00 175.29 176.51 3ngb s ILE 491 N 0.11 4.85 0.00 -2.34 1.09 0.97 -2.55 121.20 123.33 3ngb s ILE 491 Ca 0.02 2.00 0.00 0.00 -1.10 0.00 0.00 60.65 61.57 3ngb s ILE 491 Cb -0.13 -4.29 0.00 0.00 -1.06 0.00 0.00 42.46 36.98 3ngb s ILE 491 CO 0.02 0.11 0.23 -1.84 -0.10 0.00 0.00 174.94 173.35