#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgg h THR 22 N 0.00 1.20 -0.29 0.00 2.02 -1.98 0.18 112.91 114.05 3mgg h THR 22 Ca 0.00 -0.77 -0.15 0.00 0.77 0.00 0.00 66.41 66.26 3mgg h THR 22 Cb 0.00 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3mgg h THR 22 CO 0.00 0.27 -0.39 -0.07 0.37 0.00 0.00 175.52 175.70 3mgg h LEU 23 N 0.54 0.84 -0.63 2.58 -0.00 -2.00 0.99 115.31 117.62 3mgg h LEU 23 Ca 0.12 -0.50 -0.01 0.00 -0.00 0.00 0.00 57.88 57.49 3mgg h LEU 23 Cb 0.32 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 40.71 3mgg h LEU 23 CO 0.01 1.18 0.37 -0.08 -0.00 0.00 0.00 178.44 179.92 3mgg h GLU 24 N 0.52 0.86 -0.07 1.13 4.81 -1.90 -1.26 114.58 118.67 3mgg h GLU 24 Ca 0.03 -0.08 -0.23 0.00 -0.13 0.00 0.00 59.36 58.95 3mgg h GLU 24 Cb 0.98 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 30.19 3mgg h GLU 24 CO 0.09 0.63 -0.87 -0.22 -0.73 0.00 0.00 179.01 177.91 3mgg h LYS 25 N 0.86 0.63 -0.43 1.92 3.64 -0.48 -1.27 116.57 121.43 3mgg h LYS 25 Ca 0.23 -0.58 0.02 0.00 -1.27 0.00 0.00 60.65 59.05 3mgg h LYS 25 Cb -0.01 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3mgg h LYS 25 CO -0.04 1.19 0.25 1.25 -2.27 0.00 0.00 179.45 179.83 3mgg h LEU 26 N 0.40 0.41 0.00 5.20 5.85 0.13 -2.35 115.31 124.94 3mgg h LEU 26 Ca -0.07 0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.45 3mgg h LEU 26 Cb 1.49 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 3mgg h LEU 26 CO 0.17 0.29 -1.58 0.18 -0.34 0.00 0.00 178.44 177.15 3mgg n LEU 27 N -4.85 0.75 -0.05 2.25 4.77 -0.50 -4.61 117.00 114.76 3mgg n LEU 27 Ca 0.02 0.34 0.02 0.00 -0.03 0.00 0.00 56.01 56.35 3mgg n LEU 27 Cb 0.07 0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3mgg n LEU 27 CO 0.32 0.22 0.09 1.41 -1.33 0.00 0.00 177.39 178.10 3mgg n HIS 28 N -2.88 0.00 -0.34 -1.77 8.25 -0.48 -4.75 115.22 113.25 3mgg n HIS 28 Ca -0.13 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.46 3mgg n HIS 28 Cb 0.90 0.00 0.32 0.00 1.12 0.00 0.00 29.99 32.33 3mgg n HIS 28 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3mgg h HIS 29 N 0.27 1.00 -0.02 4.41 2.07 -1.51 -1.71 115.15 119.67 3mgg h HIS 29 Ca 0.00 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 3mgg h HIS 29 Cb 0.12 -0.29 0.00 0.00 2.57 0.00 0.00 27.41 29.81 3mgg h HIS 29 CO 0.00 0.18 -0.03 -0.40 -3.07 0.00 0.00 177.93 174.62 3mgg n ASP 30 N -4.82 1.62 -4.44 3.10 5.75 -1.26 -4.65 116.55 111.85 3mgg n ASP 30 Ca 0.23 -1.50 -0.44 0.00 -0.01 0.00 0.00 54.79 53.07 3mgg n ASP 30 Cb 0.59 0.02 -0.01 0.00 -1.03 0.00 0.00 41.12 40.68 3mgg n ASP 30 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3mgg s THR 31 N -2.05 5.01 -0.13 2.12 -4.23 -0.64 -4.91 115.64 110.80 3mgg s THR 31 Ca 0.36 -2.15 -0.02 0.00 -1.18 0.00 0.00 61.69 58.69 3mgg s THR 31 Cb 0.21 -4.78 0.04 0.00 1.34 0.00 0.00 72.50 69.31 3mgg s THR 31 CO 0.35 -1.48 0.00 -0.69 -0.54 0.00 0.00 174.62 172.27 3mgg s VAL 32 N 1.78 0.57 0.43 2.29 1.01 -1.26 -4.82 120.40 120.40 3mgg s VAL 32 Ca 0.34 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.07 3mgg s VAL 32 Cb -0.05 -0.86 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 3mgg s VAL 32 CO -0.06 0.07 0.63 -0.31 0.00 0.00 0.00 175.10 175.42 3mgg s TYR 33 N 1.87 3.18 0.74 5.22 2.02 -1.26 -5.08 117.35 124.04 3mgg s TYR 33 Ca 0.02 0.11 -0.14 0.00 -0.37 0.00 0.00 57.07 56.68 3mgg s TYR 33 Cb -0.15 -2.26 0.05 0.00 -0.40 0.00 0.00 41.96 39.21 3mgg s TYR 33 CO -0.07 -0.30 1.19 -2.14 -1.57 0.00 0.00 175.55 172.66 3mgg s PRO 34 N -4.47 2.09 0.33 -1.71 0.02 -1.26 -4.92 135.00 125.08 3mgg s PRO 34 Ca 0.48 1.69 -0.29 0.00 0.02 0.00 0.00 61.00 62.90 3mgg s PRO 34 Cb -0.10 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.48 3mgg s PRO 34 CO 0.36 -1.86 1.49 -2.14 -0.33 0.00 0.00 177.00 174.52 3mgg s PRO 35 N -4.03 4.16 0.00 5.54 0.02 -1.26 -2.40 135.00 137.04 3mgg s PRO 35 Ca 0.73 2.49 0.00 0.00 0.02 0.00 0.00 61.00 64.24 3mgg s PRO 35 Cb -0.27 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.23 3mgg s PRO 35 CO 0.46 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 177.04 3mgg n GLY 36 N 1.24 0.91 3.77 0.52 0.00 0.87 -4.97 105.19 107.52 3mgg n GLY 36 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3mgg n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgg s ALA 37 N -3.61 3.52 -0.43 4.61 0.00 -1.01 -4.55 121.76 120.29 3mgg s ALA 37 Ca 0.00 1.33 -0.21 0.00 0.00 0.00 0.00 51.96 53.07 3mgg s ALA 37 Cb 0.00 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.63 3mgg s ALA 37 CO 0.00 -0.73 0.68 0.15 0.00 0.00 0.00 175.76 175.87 3mgg s LYS 38 N -1.76 3.39 -0.11 0.00 1.02 -1.26 -0.35 119.74 120.67 3mgg s LYS 38 Ca 0.50 -0.21 0.01 0.00 0.02 0.00 0.00 55.97 56.29 3mgg s LYS 38 Cb -0.41 -3.92 -0.01 0.00 -0.52 0.00 0.00 37.83 32.96 3mgg s LYS 38 CO 0.54 -0.99 -0.16 0.08 -0.92 0.00 0.00 175.35 173.90 3mgg s VAL 39 N 2.94 2.80 -0.25 3.17 1.01 0.04 -0.57 120.40 129.54 3mgg s VAL 39 Ca 0.25 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 3mgg s VAL 39 Cb -0.14 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3mgg s VAL 39 CO 0.19 0.54 0.09 -0.22 0.00 0.00 0.00 175.10 175.71 3mgg s LEU 40 N 0.20 3.57 -0.45 3.92 2.96 -0.67 -0.19 118.68 128.02 3mgg s LEU 40 Ca -0.10 -0.15 -0.17 0.00 -0.22 0.00 0.00 54.13 53.49 3mgg s LEU 40 Cb -0.16 -1.96 0.04 0.00 0.50 0.00 0.00 46.19 44.61 3mgg s LEU 40 CO 0.06 -0.02 0.47 -0.70 -1.32 0.00 0.00 176.35 174.83 3mgg s GLU 41 N 1.57 3.07 0.12 1.98 2.12 0.70 -0.49 118.70 127.77 3mgg s GLU 41 Ca 0.06 -0.92 -0.33 0.00 0.36 0.00 0.00 54.97 54.14 3mgg s GLU 41 Cb -0.15 -4.03 -0.12 0.00 0.26 0.00 0.00 34.13 30.09 3mgg s GLU 41 CO 0.05 -0.97 1.55 0.00 -0.54 0.00 0.00 175.26 175.35 3mgg h ALA 42 N 8.79 -0.85 -2.62 6.30 0.00 -1.59 -1.70 119.26 127.60 3mgg h ALA 42 Ca -0.27 -0.04 -0.60 0.00 0.00 0.00 0.00 54.91 54.01 3mgg h ALA 42 Cb 1.11 1.05 -0.39 0.00 0.00 0.00 0.00 17.79 19.55 3mgg h ALA 42 CO 0.85 -1.08 -0.85 0.20 0.00 0.00 0.00 179.25 178.37 3mgg s GLY 43 N -2.32 1.54 0.58 0.00 0.00 -1.23 -4.27 107.32 101.62 3mgg s GLY 43 Ca -0.15 -2.64 0.38 0.00 0.00 0.00 0.00 44.72 42.30 3mgg s GLY 43 CO 0.61 1.84 2.13 0.00 0.00 0.00 0.00 173.10 177.68 3mgg n GLY 45 N -0.47 3.61 0.31 0.00 0.00 -1.26 -0.58 105.19 106.79 3mgg n GLY 45 Ca -0.01 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.25 3mgg n GLY 45 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3mgg n ILE 46 N 0.00 0.14 -0.83 -0.61 -0.00 -1.26 -4.12 119.36 112.68 3mgg n ILE 46 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 62.75 62.55 3mgg n ILE 46 Cb 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 39.64 39.72 3mgg n ILE 46 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3mgg n GLY 47 N 0.93 0.58 0.25 7.39 0.00 0.25 -3.57 105.19 111.01 3mgg n GLY 47 Ca 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 3mgg n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgg h ALA 48 N 0.00 0.84 0.00 4.61 0.00 -1.91 -2.37 119.26 120.43 3mgg h ALA 48 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3mgg h ALA 48 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3mgg h ALA 48 CO 0.00 -0.02 -1.07 1.96 0.00 0.00 0.00 179.25 180.12 3mgg h GLN 49 N 0.61 0.00 -0.28 0.00 7.50 -1.93 -3.36 115.11 117.64 3mgg h GLN 49 Ca 0.29 0.00 0.02 0.00 0.50 0.00 0.00 58.65 59.46 3mgg h GLN 49 Cb 0.22 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.72 3mgg h GLN 49 CO -0.20 0.06 0.12 1.15 -1.50 0.00 0.00 178.83 178.46 3mgg h THR 50 N 0.00 0.96 -0.55 -0.54 2.02 -1.74 0.67 112.91 113.74 3mgg h THR 50 Ca -0.03 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 67.12 3mgg h THR 50 Cb 1.12 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 68.15 3mgg h THR 50 CO 0.01 0.05 0.25 0.58 0.37 0.00 0.00 175.52 176.78 3mgg h VAL 51 N 0.27 0.89 -0.28 3.16 2.07 -1.59 0.72 116.25 121.49 3mgg h VAL 51 Ca 0.12 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 3mgg h VAL 51 Cb 0.06 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3mgg h VAL 51 CO -0.10 0.09 0.02 0.40 0.02 0.00 0.00 177.57 178.00 3mgg h ILE 52 N 0.47 1.24 -0.62 4.57 2.04 -1.62 -1.66 117.51 121.93 3mgg h ILE 52 Ca 0.25 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.26 3mgg h ILE 52 Cb 0.22 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3mgg h ILE 52 CO -0.21 0.28 0.41 0.25 0.00 0.00 0.00 178.15 178.88 3mgg h LEU 53 N 0.29 0.72 -0.48 1.44 5.85 -0.50 -1.57 115.31 121.06 3mgg h LEU 53 Ca 0.08 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 3mgg h LEU 53 Cb 0.38 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3mgg h LEU 53 CO 0.01 0.53 -0.16 0.00 -0.34 0.00 0.00 178.44 178.48 3mgg h ALA 54 N 1.22 0.66 -0.08 1.25 0.00 -0.78 -1.42 119.26 120.12 3mgg h ALA 54 Ca 0.23 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3mgg h ALA 54 Cb -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3mgg h ALA 54 CO -0.05 0.61 -0.44 0.87 0.00 0.00 0.00 179.25 180.24 3mgg h LYS 55 N 0.80 0.19 0.00 0.00 1.57 -1.14 -2.23 116.57 115.76 3mgg h LYS 55 Ca 0.11 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 3mgg h LYS 55 Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 3mgg h LYS 55 CO 0.06 0.59 -0.34 -0.91 -0.57 0.00 0.00 179.45 178.28 3mgg h ASN 56 N 0.15 0.00 -2.10 0.86 2.35 -1.15 -3.37 115.58 112.32 3mgg h ASN 56 Ca 0.01 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.19 3mgg h ASN 56 Cb 0.84 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.80 3mgg h ASN 56 CO 0.07 0.34 -0.88 0.59 -1.65 0.00 0.00 177.43 175.90 3mgg n ASN 57 N -3.24 2.09 0.23 5.81 4.13 -0.55 -4.84 115.26 118.90 3mgg n ASN 57 Ca 0.02 -3.13 0.13 0.00 1.68 0.00 0.00 54.58 53.28 3mgg n ASN 57 Cb 0.63 -0.64 0.75 0.00 -1.54 0.00 0.00 39.78 38.98 3mgg n ASN 57 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 3mgg h PRO 58 N 3.80 0.00 -0.63 3.52 0.11 -1.58 -2.27 132.00 134.95 3mgg h PRO 58 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3mgg h PRO 58 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3mgg h PRO 58 CO 0.65 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.19 3mgg n ASP 59 N -4.21 3.81 -4.90 -2.05 10.43 -1.26 -4.83 116.55 113.54 3mgg n ASP 59 Ca -0.01 -2.00 -0.28 0.00 2.57 0.00 0.00 54.79 55.07 3mgg n ASP 59 Cb 0.18 -0.42 -0.01 0.00 1.84 0.00 0.00 41.12 42.71 3mgg n ASP 59 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3mgg s ALA 60 N -1.17 3.37 -0.55 2.24 0.00 -0.86 -0.09 121.76 124.71 3mgg s ALA 60 Ca 0.46 -0.40 -0.12 0.00 0.00 0.00 0.00 51.96 51.90 3mgg s ALA 60 Cb 0.25 -2.64 0.14 0.00 0.00 0.00 0.00 23.12 20.86 3mgg s ALA 60 CO 0.33 -0.27 0.46 -1.21 0.00 0.00 0.00 175.76 175.06 3mgg s GLU 61 N -4.52 2.80 -0.20 0.00 2.02 0.53 -4.85 118.70 114.48 3mgg s GLU 61 Ca 0.49 -1.86 -0.15 0.00 0.02 0.00 0.00 54.97 53.47 3mgg s GLU 61 Cb -0.10 -4.11 -0.04 0.00 0.10 0.00 0.00 34.13 29.97 3mgg s GLU 61 CO 0.42 -1.26 0.34 0.42 0.02 0.00 0.00 175.26 175.20 3mgg s ILE 62 N 1.24 5.25 -0.25 -1.63 1.01 -0.78 -0.78 121.20 125.27 3mgg s ILE 62 Ca 0.07 0.59 -0.05 0.00 0.00 0.00 0.00 60.65 61.26 3mgg s ILE 62 Cb -0.26 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.54 3mgg s ILE 62 CO -0.00 0.30 0.00 -0.89 0.00 0.00 0.00 174.94 174.35 3mgg s THR 63 N 1.07 3.55 -0.21 2.92 2.01 0.73 -1.13 115.64 124.58 3mgg s THR 63 Ca 0.17 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 3mgg s THR 63 Cb -0.14 -2.72 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 3mgg s THR 63 CO 0.06 0.28 -0.07 -0.44 -0.69 0.00 0.00 174.62 173.76 3mgg s SER 64 N 1.47 4.13 0.24 3.53 0.01 0.06 -0.22 113.70 122.93 3mgg s SER 64 Ca 0.04 -0.42 0.10 0.00 1.31 0.00 0.00 55.95 56.98 3mgg s SER 64 Cb -0.16 -1.70 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 3mgg s SER 64 CO -0.01 -0.00 -0.07 0.27 0.41 0.00 0.00 173.24 173.83 3mgg s ILE 65 N 1.37 3.18 -0.02 1.44 -4.36 -0.64 -1.26 121.20 120.91 3mgg s ILE 65 Ca 0.05 -1.91 -0.30 0.00 -0.26 0.00 0.00 60.65 58.23 3mgg s ILE 65 Cb -0.14 -2.65 0.07 0.00 1.25 0.00 0.00 42.46 40.99 3mgg s ILE 65 CO -0.04 -0.29 0.68 -0.62 0.24 0.00 0.00 174.94 174.92 3mgg s ASP 66 N -3.34 -0.63 0.44 4.36 2.15 -1.14 -1.56 116.67 116.96 3mgg s ASP 66 Ca 0.29 0.58 0.24 0.00 0.43 0.00 0.00 52.55 54.09 3mgg s ASP 66 Cb -0.07 0.54 0.92 0.00 -0.30 0.00 0.00 42.92 44.00 3mgg s ASP 66 CO 0.17 -0.66 1.82 -0.29 -0.17 0.00 0.00 175.17 176.05 3mgg h ILE 67 N 2.81 0.52 -3.62 4.11 6.09 -1.88 -2.20 117.51 123.33 3mgg h ILE 67 Ca -0.28 -1.11 -0.64 0.00 -1.37 0.00 0.00 64.86 61.47 3mgg h ILE 67 Cb 1.17 1.77 -0.20 0.00 0.47 0.00 0.00 36.82 40.03 3mgg h ILE 67 CO 0.38 0.21 -0.59 -0.55 -3.07 0.00 0.00 178.15 174.54 3mgg s SER 68 N -6.17 5.44 0.36 2.19 0.15 -1.26 -4.76 113.70 109.65 3mgg s SER 68 Ca 0.01 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.60 3mgg s SER 68 Cb 0.10 -1.98 0.69 0.00 -1.71 0.00 0.00 66.02 63.12 3mgg s SER 68 CO 0.63 0.01 1.98 -0.65 1.20 0.00 0.00 173.24 176.41 3mgg h PRO 69 N 7.92 0.64 -0.47 5.44 0.11 -1.99 -1.91 132.00 141.75 3mgg h PRO 69 Ca -0.37 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 3mgg h PRO 69 Cb 1.18 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3mgg h PRO 69 CO 0.60 0.50 0.03 0.93 -0.21 0.00 0.00 178.00 179.84 3mgg h GLU 70 N 0.64 0.80 -0.70 1.05 5.08 -1.99 -0.93 114.58 118.52 3mgg h GLU 70 Ca 0.16 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3mgg h GLU 70 Cb 0.07 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3mgg h GLU 70 CO -0.02 0.84 0.19 0.77 -1.00 0.00 0.00 179.01 179.79 3mgg h SER 71 N 0.66 1.04 -0.08 1.42 0.02 -1.77 -2.41 113.55 112.43 3mgg h SER 71 Ca 0.14 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 3mgg h SER 71 Cb 0.46 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3mgg h SER 71 CO 0.02 0.99 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.57 3mgg h LEU 72 N 1.06 0.30 -0.38 5.07 3.38 -1.03 0.13 115.31 123.83 3mgg h LEU 72 Ca 0.22 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 3mgg h LEU 72 Cb 0.34 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3mgg h LEU 72 CO -0.00 0.40 -0.46 -0.08 0.09 0.00 0.00 178.44 178.39 3mgg h GLU 73 N 0.31 0.88 -0.06 1.13 4.57 -0.74 -0.90 114.58 119.77 3mgg h GLU 73 Ca 0.07 -0.50 -0.13 0.00 -1.18 0.00 0.00 59.36 57.62 3mgg h GLU 73 Cb 0.30 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3mgg h GLU 73 CO 0.01 1.14 -0.53 0.87 -1.18 0.00 0.00 179.01 179.32 3mgg h LYS 74 N 0.70 0.16 -0.36 1.92 1.57 -0.96 -2.36 116.57 117.25 3mgg h LYS 74 Ca 0.04 -0.10 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 3mgg h LYS 74 Cb 1.05 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3mgg h LYS 74 CO 0.11 0.66 -0.41 0.00 -0.57 0.00 0.00 179.45 179.23 3mgg h ALA 75 N 1.33 0.60 -0.40 3.86 0.00 -0.81 -1.88 119.26 121.95 3mgg h ALA 75 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3mgg h ALA 75 Cb 0.98 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3mgg h ALA 75 CO 0.08 0.68 0.22 -0.09 0.00 0.00 0.00 179.25 180.13 3mgg h ARG 76 N 0.72 0.55 -0.51 0.00 9.65 -0.99 -0.70 114.38 123.10 3mgg h ARG 76 Ca 0.05 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 3mgg h ARG 76 Cb 0.99 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.44 3mgg h ARG 76 CO 0.10 0.45 0.21 0.93 2.80 0.00 0.00 179.97 184.46 3mgg h GLU 77 N 0.51 0.72 -0.22 0.20 5.08 -1.33 -0.11 114.58 119.45 3mgg h GLU 77 Ca 0.14 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3mgg h GLU 77 Cb 0.05 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3mgg h GLU 77 CO -0.02 0.59 0.01 -0.97 -1.00 0.00 0.00 179.01 177.61 3mgg h ASN 78 N 0.72 0.37 -0.00 1.42 -1.24 -0.72 -0.78 115.58 115.34 3mgg h ASN 78 Ca 0.18 -0.30 -0.14 0.00 0.71 0.00 0.00 56.30 56.75 3mgg h ASN 78 Cb 0.13 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 3mgg h ASN 78 CO -0.02 0.58 -0.44 0.71 -1.29 0.00 0.00 177.43 176.97 3mgg h THR 79 N 0.15 1.31 -0.57 -3.57 1.35 -0.80 -2.71 112.91 108.06 3mgg h THR 79 Ca 0.06 -1.63 -0.10 0.00 -0.55 0.00 0.00 66.41 64.19 3mgg h THR 79 Cb 0.38 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.40 3mgg h THR 79 CO 0.01 0.51 -0.05 -0.33 -0.25 0.00 0.00 175.52 175.41 3mgg h GLU 80 N 0.43 1.03 -0.02 4.72 4.39 -0.96 -0.78 114.58 123.39 3mgg h GLU 80 Ca 0.03 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.38 3mgg h GLU 80 Cb 0.94 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.51 3mgg h GLU 80 CO 0.08 1.04 0.02 -0.22 -1.16 0.00 0.00 179.01 178.78 3mgg h LYS 81 N 0.92 0.00 -0.58 2.33 3.64 -0.97 -0.90 116.57 121.02 3mgg h LYS 81 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3mgg h LYS 81 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3mgg h LYS 81 CO 0.04 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.31 3mgg n ASN 82 N -3.90 3.87 -1.81 4.20 3.02 -0.80 -4.96 115.26 114.87 3mgg n ASN 82 Ca -0.03 -2.17 -0.19 0.00 -0.03 0.00 0.00 54.58 52.16 3mgg n ASN 82 Cb 0.10 -0.44 -0.05 0.00 -0.61 0.00 0.00 39.78 38.78 3mgg n ASN 82 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mgg n GLY 83 N 1.07 0.90 3.74 7.41 0.00 -0.34 -4.96 105.19 113.00 3mgg n GLY 83 Ca 0.21 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3mgg n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mgg s ILE 84 N -2.83 3.95 0.00 -0.61 1.01 -0.37 -4.95 121.20 117.40 3mgg s ILE 84 Ca 0.00 1.67 0.00 0.00 0.00 0.00 0.00 60.65 62.32 3mgg s ILE 84 Cb 0.00 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.40 3mgg s ILE 84 CO 0.00 0.28 0.21 0.29 0.00 0.00 0.00 174.94 175.73 3mgg n LYS 85 N 2.43 3.16 -0.82 2.79 4.76 -1.26 -4.65 118.16 124.57 3mgg n LYS 85 Ca 0.03 -0.21 -0.03 0.00 -2.87 0.00 0.00 58.31 55.22 3mgg n LYS 85 Cb 0.47 -0.70 0.25 0.00 -1.84 0.00 0.00 35.03 33.20 3mgg n LYS 85 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3mgg n ASN 86 N -0.51 3.70 -4.17 4.39 6.94 -1.26 -4.95 115.26 119.40 3mgg n ASN 86 Ca 0.00 -3.39 -0.31 0.00 -0.02 0.00 0.00 54.58 50.86 3mgg n ASN 86 Cb 0.01 -0.67 -0.17 0.00 -2.36 0.00 0.00 39.78 36.59 3mgg n ASN 86 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3mgg s VAL 87 N -3.07 1.88 -0.21 3.53 1.01 -1.26 -1.86 120.40 120.42 3mgg s VAL 87 Ca 0.49 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 3mgg s VAL 87 Cb 0.41 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 3mgg s VAL 87 CO 0.08 0.52 -0.04 -0.54 0.00 0.00 0.00 175.10 175.12 3mgg s LYS 88 N 0.53 3.45 -0.31 2.72 1.02 -0.28 -5.00 119.74 121.87 3mgg s LYS 88 Ca -0.15 -0.60 -0.16 0.00 0.02 0.00 0.00 55.97 55.08 3mgg s LYS 88 Cb -0.17 -3.00 -0.02 0.00 -0.52 0.00 0.00 37.83 34.12 3mgg s LYS 88 CO 0.05 -0.10 0.41 -0.06 -0.92 0.00 0.00 175.35 174.73 3mgg s PHE 89 N 1.25 3.22 -0.02 3.18 0.08 -1.26 -0.76 117.98 123.67 3mgg s PHE 89 Ca 0.03 0.24 0.07 0.00 0.12 0.00 0.00 56.93 57.40 3mgg s PHE 89 Cb -0.14 -2.68 -0.02 0.00 -0.57 0.00 0.00 43.02 39.60 3mgg s PHE 89 CO -0.01 -0.36 -0.24 -0.51 -0.10 0.00 0.00 175.22 174.01 3mgg s LEU 90 N 2.14 2.04 -0.11 -0.37 1.02 -0.39 -4.98 118.68 118.02 3mgg s LEU 90 Ca 0.15 -0.43 -0.28 0.00 0.02 0.00 0.00 54.13 53.59 3mgg s LEU 90 Cb -0.16 -1.22 -0.02 0.00 0.02 0.00 0.00 46.19 44.81 3mgg s LEU 90 CO 0.11 0.29 0.94 -1.58 0.02 0.00 0.00 176.35 176.12 3mgg s GLN 91 N -0.53 4.40 0.12 1.70 -0.44 -1.26 -2.87 119.66 120.77 3mgg s GLN 91 Ca 0.08 1.25 -0.20 0.00 -2.50 0.00 0.00 55.36 53.99 3mgg s GLN 91 Cb -0.09 -3.54 0.05 0.00 -1.64 0.00 0.00 33.01 27.79 3mgg s GLN 91 CO -0.01 -0.28 0.51 0.00 0.50 0.00 0.00 175.29 176.01 3mgg s ALA 92 N 1.91 -1.28 -0.23 1.58 0.00 -0.83 -4.92 121.76 117.99 3mgg s ALA 92 Ca 0.45 0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 3mgg s ALA 92 Cb -0.18 0.68 -0.00 0.00 0.00 0.00 0.00 23.12 23.62 3mgg s ALA 92 CO 0.17 -0.65 -0.04 1.21 0.00 0.00 0.00 175.76 176.45 3mgg s ASN 93 N -2.56 4.33 0.39 0.00 3.84 -1.26 -3.15 114.94 116.52 3mgg s ASN 93 Ca 0.00 -0.46 0.16 0.00 0.21 0.00 0.00 52.86 52.78 3mgg s ASN 93 Cb 0.00 -1.74 1.04 0.00 -0.55 0.00 0.00 41.25 40.01 3mgg s ASN 93 CO -0.10 -0.04 1.79 0.40 -2.79 0.00 0.00 177.10 176.36 3mgg h ILE 94 N 5.76 0.58 -0.00 -5.21 2.04 -1.98 0.00 117.51 118.70 3mgg h ILE 94 Ca -0.40 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3mgg h ILE 94 Cb 1.15 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3mgg h ILE 94 CO 0.60 0.08 -0.03 0.49 0.00 0.00 0.00 178.15 179.30 3mgg n PHE 95 N -4.63 0.00 -2.92 1.37 3.72 -1.26 -4.11 117.46 109.63 3mgg n PHE 95 Ca 0.24 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.51 3mgg n PHE 95 Cb 0.80 -0.28 0.03 0.00 -0.94 0.00 0.00 39.48 39.09 3mgg n PHE 95 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3mgg n SER 96 N -1.25 -1.21 -4.76 4.37 3.41 -0.06 -5.09 113.62 109.03 3mgg n SER 96 Ca 0.14 -3.34 -0.38 0.00 -0.26 0.00 0.00 58.87 55.03 3mgg n SER 96 Cb 0.25 0.89 0.01 0.00 -0.26 0.00 0.00 64.21 65.10 3mgg n SER 96 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mgg s LEU 97 N -1.98 4.03 0.14 1.04 1.43 -0.91 -4.46 118.68 117.96 3mgg s LEU 97 Ca 0.30 2.58 0.25 0.00 -1.03 0.00 0.00 54.13 56.23 3mgg s LEU 97 Cb 0.29 -4.14 0.44 0.00 0.03 0.00 0.00 46.19 42.81 3mgg s LEU 97 CO -0.09 -1.11 1.42 1.55 0.23 0.00 0.00 176.35 178.34 3mgg h PRO 98 N 2.06 0.00 -7.11 1.29 0.13 -1.97 -3.48 132.00 122.93 3mgg h PRO 98 Ca -0.50 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.13 3mgg h PRO 98 Cb 1.26 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.46 3mgg h PRO 98 CO 0.60 0.00 0.41 -0.06 -0.23 0.00 0.00 178.00 178.72 3mgg s PHE 99 N -3.16 2.74 0.52 1.56 0.08 -1.26 -5.01 117.98 113.45 3mgg s PHE 99 Ca 0.07 1.55 -0.21 0.00 0.12 0.00 0.00 56.93 58.45 3mgg s PHE 99 Cb 0.13 -3.22 -0.06 0.00 -0.57 0.00 0.00 43.02 39.31 3mgg s PHE 99 CO 0.69 -1.44 1.23 -1.21 -0.10 0.00 0.00 175.22 174.40 3mgg s GLU 100 N -3.45 3.38 0.57 0.44 2.02 -1.26 -4.94 118.70 115.46 3mgg s GLU 100 Ca 0.70 1.92 -0.20 0.00 0.02 0.00 0.00 54.97 57.41 3mgg s GLU 100 Cb -0.22 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 3mgg s GLU 100 CO 0.29 -0.90 1.23 -0.51 0.02 0.00 0.00 175.26 175.39 3mgg s ASP 101 N -1.31 5.30 -1.31 -0.19 1.01 -1.26 -3.43 116.67 115.49 3mgg s ASP 101 Ca 0.69 2.46 -0.03 0.00 0.71 0.00 0.00 52.55 56.39 3mgg s ASP 101 Cb -0.32 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.00 3mgg s ASP 101 CO 0.38 -1.52 0.64 -1.20 0.21 0.00 0.00 175.17 173.68 3mgg n SER 102 N -1.35 -1.57 -0.00 0.27 7.64 -0.18 -4.92 113.62 113.50 3mgg n SER 102 Ca 0.12 -0.89 0.03 0.00 1.01 0.00 0.00 58.87 59.14 3mgg n SER 102 Cb 0.48 -3.74 -0.05 0.00 -1.01 0.00 0.00 64.21 59.90 3mgg n SER 102 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3mgg n SER 103 N -3.00 2.41 -4.82 6.43 3.41 -0.17 -4.47 113.62 113.41 3mgg n SER 103 Ca -0.27 -0.22 -0.33 0.00 -0.26 0.00 0.00 58.87 57.79 3mgg n SER 103 Cb 0.67 1.20 -0.06 0.00 -0.26 0.00 0.00 64.21 65.76 3mgg n SER 103 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3mgg s PHE 104 N -2.17 3.37 0.11 7.33 0.08 -0.52 -4.89 117.98 121.29 3mgg s PHE 104 Ca -0.01 0.25 -0.02 0.00 0.12 0.00 0.00 56.93 57.27 3mgg s PHE 104 Cb 0.04 -1.76 -0.17 0.00 -0.57 0.00 0.00 43.02 40.56 3mgg s PHE 104 CO 0.27 0.58 1.24 -0.44 -0.10 0.00 0.00 175.22 176.78 3mgg h ASP 105 N 3.93 0.37 -5.07 1.36 3.32 -1.17 0.36 116.42 119.53 3mgg h ASP 105 Ca -0.49 -0.35 -0.08 0.00 0.02 0.00 0.00 57.03 56.13 3mgg h ASP 105 Cb 1.18 -0.12 -0.16 0.00 0.22 0.00 0.00 39.33 40.46 3mgg h ASP 105 CO 0.65 1.22 -0.21 -1.00 -1.72 0.00 0.00 179.24 178.17 3mgg s HIS 106 N -2.92 -0.11 0.00 4.55 3.76 -1.02 -3.06 115.29 116.49 3mgg s HIS 106 Ca -0.04 -0.09 0.07 0.00 -0.15 0.00 0.00 55.06 54.86 3mgg s HIS 106 Cb 0.08 0.12 -0.02 0.00 1.11 0.00 0.00 32.58 33.87 3mgg s HIS 106 CO 0.86 -0.55 -0.22 0.42 -0.85 0.00 0.00 174.74 174.40 3mgg s ILE 107 N -2.95 1.72 -0.15 0.60 -1.09 0.02 -1.67 121.20 117.69 3mgg s ILE 107 Ca -0.02 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.39 3mgg s ILE 107 Cb 0.00 -1.45 0.03 0.00 -1.58 0.00 0.00 42.46 39.46 3mgg s ILE 107 CO -0.06 0.41 -0.13 0.12 -1.23 0.00 0.00 174.94 174.06 3mgg s PHE 108 N -0.59 2.12 -0.16 3.97 5.36 0.35 -1.18 117.98 127.85 3mgg s PHE 108 Ca 0.08 -1.21 0.01 0.00 -0.96 0.00 0.00 56.93 54.85 3mgg s PHE 108 Cb -0.09 -1.56 0.01 0.00 -0.34 0.00 0.00 43.02 41.05 3mgg s PHE 108 CO -0.00 -0.66 -0.20 0.08 -1.46 0.00 0.00 175.22 172.98 3mgg s VAL 109 N 1.50 2.17 -0.06 3.12 1.01 0.12 -1.62 120.40 126.64 3mgg s VAL 109 Ca 0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 3mgg s VAL 109 Cb -0.13 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.38 3mgg s VAL 109 CO -0.10 0.54 0.06 0.00 0.00 0.00 0.00 175.10 175.59 3mgg n PHE 111 N 5.28 -2.55 -0.05 0.00 3.72 0.02 -4.88 117.46 119.00 3mgg n PHE 111 Ca -0.04 0.97 -0.08 0.00 -0.05 0.00 0.00 57.45 58.25 3mgg n PHE 111 Cb 0.50 -4.78 -0.04 0.00 -0.94 0.00 0.00 39.48 34.22 3mgg n PHE 111 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3mgg n VAL 112 N -4.72 0.52 0.26 -4.37 0.31 -1.26 -4.69 118.33 104.39 3mgg n VAL 112 Ca -0.07 -0.17 0.09 0.00 -0.01 0.00 0.00 64.34 64.18 3mgg n VAL 112 Cb 0.58 -1.18 0.67 0.00 -0.91 0.00 0.00 33.84 33.01 3mgg n VAL 112 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3mgg h LEU 113 N -0.15 0.00 -2.34 7.52 3.38 -1.91 -2.33 115.31 119.48 3mgg h LEU 113 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3mgg h LEU 113 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3mgg h LEU 113 CO -0.08 0.06 0.00 1.05 0.09 0.00 0.00 178.44 179.56 3mgg h GLU 114 N 0.00 0.00 -0.02 1.13 4.11 -1.84 -2.32 114.58 115.65 3mgg h GLU 114 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3mgg h GLU 114 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3mgg h GLU 114 CO 0.01 0.00 -0.21 0.72 0.07 0.00 0.00 179.01 179.60 3mgg n HIS 115 N -2.93 0.00 -3.81 2.06 8.25 -0.88 0.24 115.22 118.16 3mgg n HIS 115 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 3mgg n HIS 115 Cb 0.12 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.17 3mgg n HIS 115 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3mgg s LEU 116 N -1.99 4.37 0.09 2.41 1.43 -0.87 -4.61 118.68 119.51 3mgg s LEU 116 Ca 0.20 0.50 0.25 0.00 -1.03 0.00 0.00 54.13 54.05 3mgg s LEU 116 Cb 0.16 -2.14 0.52 0.00 0.03 0.00 0.00 46.19 44.77 3mgg s LEU 116 CO 0.38 0.36 1.45 0.00 0.23 0.00 0.00 176.35 178.77 3mgg n GLN 117 N 2.20 0.19 -3.19 1.70 10.64 -1.24 -4.19 117.38 123.49 3mgg n GLN 117 Ca -0.19 0.07 -0.23 0.00 -1.83 0.00 0.00 57.00 54.83 3mgg n GLN 117 Cb 0.54 -1.64 -0.05 0.00 -0.86 0.00 0.00 30.24 28.23 3mgg n GLN 117 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3mgg n SER 118 N -1.93 1.38 -0.22 2.61 2.88 -1.26 -4.94 113.62 112.14 3mgg n SER 118 Ca 0.04 -3.02 -0.01 0.00 -1.33 0.00 0.00 58.87 54.56 3mgg n SER 118 Cb 0.40 -0.63 0.21 0.00 -0.75 0.00 0.00 64.21 63.45 3mgg n SER 118 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3mgg h PRO 119 N 3.57 1.00 -0.37 -1.46 0.13 -1.87 -2.68 132.00 130.32 3mgg h PRO 119 Ca 0.10 -0.10 0.06 0.00 -0.87 0.00 0.00 66.00 65.19 3mgg h PRO 119 Cb 0.84 -0.21 -0.05 0.00 0.13 0.00 0.00 31.00 31.71 3mgg h PRO 119 CO 0.57 0.72 0.07 1.49 -0.23 0.00 0.00 178.00 180.61 3mgg h GLU 120 N 1.01 0.19 -0.18 0.86 4.57 -1.92 -1.52 114.58 117.59 3mgg h GLU 120 Ca 0.26 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.34 3mgg h GLU 120 Cb -0.01 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3mgg h GLU 120 CO -0.05 0.12 -0.28 0.93 -1.18 0.00 0.00 179.01 178.56 3mgg h GLU 121 N 0.19 0.35 -0.73 1.92 4.39 -1.90 -2.43 114.58 116.36 3mgg h GLU 121 Ca 0.18 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 3mgg h GLU 121 Cb 0.21 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3mgg h GLU 121 CO -0.24 0.60 0.31 0.00 -1.16 0.00 0.00 179.01 178.53 3mgg h ALA 122 N 1.40 0.95 -0.54 3.43 0.00 -1.07 -0.82 119.26 122.60 3mgg h ALA 122 Ca 0.04 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3mgg h ALA 122 Cb 0.66 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3mgg h ALA 122 CO 0.05 0.56 -0.03 -0.07 0.00 0.00 0.00 179.25 179.76 3mgg h LEU 123 N 1.05 0.93 -0.66 0.00 3.38 -1.01 -1.47 115.31 117.53 3mgg h LEU 123 Ca 0.25 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3mgg h LEU 123 Cb 0.19 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3mgg h LEU 123 CO -0.02 1.01 0.05 0.11 0.09 0.00 0.00 178.44 179.68 3mgg h LYS 124 N 0.87 1.09 -0.25 1.13 1.57 -1.10 -0.74 116.57 119.15 3mgg h LYS 124 Ca 0.16 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 3mgg h LYS 124 Cb 0.55 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3mgg h LYS 124 CO 0.03 1.03 0.12 1.03 -0.57 0.00 0.00 179.45 181.09 3mgg h SER 125 N 1.01 0.33 -0.33 0.86 0.87 -0.88 -2.73 113.55 112.68 3mgg h SER 125 Ca 0.19 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 3mgg h SER 125 Cb 0.50 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 3mgg h SER 125 CO 0.02 0.38 0.08 -0.07 -0.53 0.00 0.00 176.83 176.70 3mgg h LEU 126 N 0.27 0.58 -1.81 2.23 3.38 -1.10 -2.35 115.31 116.52 3mgg h LEU 126 Ca 0.09 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3mgg h LEU 126 Cb 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3mgg h LEU 126 CO -0.01 0.60 0.18 0.50 0.09 0.00 0.00 178.44 179.80 3mgg h LYS 127 N 0.61 0.25 -0.97 1.13 3.64 -0.82 -2.38 116.57 118.02 3mgg h LYS 127 Ca 0.14 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3mgg h LYS 127 Cb 0.27 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 3mgg h LYS 127 CO 0.00 0.16 0.64 0.87 -2.27 0.00 0.00 179.45 178.85 3mgg h LYS 128 N 0.26 1.21 -0.04 1.90 1.57 -1.28 -2.40 116.57 117.79 3mgg h LYS 128 Ca 0.11 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3mgg h LYS 128 Cb 0.12 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3mgg h LYS 128 CO -0.02 0.80 0.00 1.33 -0.57 0.00 0.00 179.45 180.99 3mgg n VAL 129 N -4.46 0.03 -3.20 0.50 0.24 -0.90 -1.01 118.33 109.54 3mgg n VAL 129 Ca 0.13 -0.24 -0.39 0.00 -2.04 0.00 0.00 64.34 61.80 3mgg n VAL 129 Cb 0.08 0.39 -0.06 0.00 -1.47 0.00 0.00 33.84 32.78 3mgg n VAL 129 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3mgg s LEU 130 N -1.92 4.54 0.39 1.34 2.96 -0.90 -1.00 118.68 124.09 3mgg s LEU 130 Ca 0.38 1.36 -0.25 0.00 -0.22 0.00 0.00 54.13 55.40 3mgg s LEU 130 Cb 0.20 -3.00 -0.09 0.00 0.50 0.00 0.00 46.19 43.81 3mgg s LEU 130 CO 0.32 0.25 1.11 -0.54 -1.32 0.00 0.00 176.35 176.18 3mgg s LYS 131 N -1.08 4.12 0.17 1.98 1.02 0.12 -3.87 119.74 122.20 3mgg s LYS 131 Ca 0.31 1.69 -0.34 0.00 0.02 0.00 0.00 55.97 57.65 3mgg s LYS 131 Cb -0.20 -2.64 -0.14 0.00 -0.52 0.00 0.00 37.83 34.33 3mgg s LYS 131 CO 0.21 -0.22 1.56 -2.30 -0.92 0.00 0.00 175.35 173.68 3mgg n PRO 132 N 0.06 2.14 -0.13 -1.68 -0.02 -1.26 0.34 135.00 134.45 3mgg n PRO 132 Ca 0.04 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3mgg n PRO 132 Cb 0.48 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3mgg n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mgg n GLY 133 N 3.25 1.20 3.89 -1.23 0.00 -0.23 -5.00 105.19 107.07 3mgg n GLY 133 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3mgg n GLY 133 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mgg s GLY 134 N -1.85 1.63 0.21 -0.02 0.00 0.15 -4.73 107.32 102.71 3mgg s GLY 134 Ca 0.00 -0.76 0.09 0.00 0.00 0.00 0.00 44.72 44.05 3mgg s GLY 134 CO 0.00 -0.20 -0.17 -0.51 0.00 0.00 0.00 173.10 172.22 3mgg s THR 135 N -3.61 1.91 -0.02 0.90 -4.23 -1.17 -1.42 115.64 108.00 3mgg s THR 135 Ca 0.65 -2.17 0.07 0.00 -1.18 0.00 0.00 61.69 59.06 3mgg s THR 135 Cb -0.10 -2.04 -0.02 0.00 1.34 0.00 0.00 72.50 71.69 3mgg s THR 135 CO 0.50 -0.48 -0.23 -0.51 -0.54 0.00 0.00 174.62 173.37 3mgg s ILE 136 N -2.61 1.81 -0.08 2.99 2.07 0.03 -0.79 121.20 124.61 3mgg s ILE 136 Ca 0.22 -0.98 0.05 0.00 -1.41 0.00 0.00 60.65 58.53 3mgg s ILE 136 Cb -0.03 -1.51 -0.00 0.00 0.13 0.00 0.00 42.46 41.05 3mgg s ILE 136 CO 0.08 0.51 -0.23 -0.89 -1.91 0.00 0.00 174.94 172.51 3mgg s THR 137 N -0.51 1.91 -0.05 4.00 2.01 -0.32 -1.48 115.64 121.19 3mgg s THR 137 Ca 0.08 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.16 3mgg s THR 137 Cb -0.09 -1.64 0.01 0.00 0.01 0.00 0.00 72.50 70.78 3mgg s THR 137 CO -0.01 0.53 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.62 3mgg s VAL 138 N 0.18 1.22 -0.08 3.82 1.01 0.51 0.13 120.40 127.19 3mgg s VAL 138 Ca -0.12 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3mgg s VAL 138 Cb -0.16 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.16 3mgg s VAL 138 CO 0.06 0.37 -0.07 -0.63 0.00 0.00 0.00 175.10 174.83 3mgg s ILE 139 N 0.36 0.86 0.00 2.22 1.01 0.18 -0.29 121.20 125.54 3mgg s ILE 139 Ca -0.09 -0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 3mgg s ILE 139 Cb -0.13 -0.88 -0.00 0.00 0.01 0.00 0.00 42.46 41.46 3mgg s ILE 139 CO 0.03 0.32 0.11 -1.61 0.00 0.00 0.00 174.94 173.79 3mgg s GLU 140 N 1.40 0.43 0.82 2.79 0.41 -0.82 -0.80 118.70 122.92 3mgg s GLU 140 Ca -0.02 -0.39 -0.06 0.00 -0.41 0.00 0.00 54.97 54.09 3mgg s GLU 140 Cb -0.13 0.17 0.16 0.00 -1.78 0.00 0.00 34.13 32.55 3mgg s GLU 140 CO -0.04 -0.10 1.13 0.20 -0.49 0.00 0.00 175.26 175.96 3mgg s GLY 141 N -1.28 1.77 -0.31 -1.39 0.00 -1.26 -0.88 107.32 103.97 3mgg s GLY 141 Ca -0.14 -1.58 0.01 0.00 0.00 0.00 0.00 44.72 43.01 3mgg s GLY 141 CO 0.01 -0.92 0.33 -0.35 0.00 0.00 0.00 173.10 172.17 3mgg s ASP 142 N -4.82 1.34 0.63 1.64 -1.08 -1.16 -1.91 116.67 111.31 3mgg s ASP 142 Ca 0.70 -0.88 0.38 0.00 -0.52 0.00 0.00 52.55 52.23 3mgg s ASP 142 Cb -0.04 0.63 2.08 0.00 -1.46 0.00 0.00 42.92 44.12 3mgg s ASP 142 CO 0.48 -0.35 2.17 0.45 0.52 0.00 0.00 175.17 178.43 3mgg h HIS 143 N 7.97 0.00 0.00 -5.34 3.86 -1.29 -0.83 115.15 119.52 3mgg h HIS 143 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 3mgg h HIS 143 Cb 1.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.55 3mgg h HIS 143 CO 0.29 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.49 3mgg n GLY 144 N -1.14 -1.26 0.33 2.45 0.00 -1.26 -2.70 105.19 101.62 3mgg n GLY 144 Ca -0.03 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.03 3mgg n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mgg n SER 145 N -1.42 1.27 -4.66 1.61 3.41 -0.32 -4.90 113.62 108.61 3mgg n SER 145 Ca 0.08 -1.09 -0.42 0.00 -0.26 0.00 0.00 58.87 57.17 3mgg n SER 145 Cb 0.25 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 3mgg n SER 145 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mgg s TYR 147 N 2.75 0.21 0.35 0.00 1.13 -0.92 -5.03 117.35 115.84 3mgg s TYR 147 Ca 0.43 -0.64 -0.14 0.00 -1.41 0.00 0.00 57.07 55.31 3mgg s TYR 147 Cb -0.16 -0.08 0.04 0.00 -1.10 0.00 0.00 41.96 40.66 3mgg s TYR 147 CO 0.10 -0.56 0.71 -0.59 -2.51 0.00 0.00 175.55 172.70 3mgg s PHE 148 N -3.88 0.24 -0.02 -3.49 -0.71 -1.26 -1.24 117.98 107.63 3mgg s PHE 148 Ca 0.07 -0.79 0.00 0.00 -1.04 0.00 0.00 56.93 55.17 3mgg s PHE 148 Cb 0.05 0.62 0.02 0.00 -1.21 0.00 0.00 43.02 42.50 3mgg s PHE 148 CO -0.10 -1.41 0.02 -1.58 -1.34 0.00 0.00 175.22 170.82 3mgg s HIS 149 N -2.82 0.04 0.71 3.49 2.46 -0.11 -3.72 115.29 115.33 3mgg s HIS 149 Ca 0.18 0.09 -0.14 0.00 0.47 0.00 0.00 55.06 55.65 3mgg s HIS 149 Cb -0.04 -0.19 0.03 0.00 -0.13 0.00 0.00 32.58 32.25 3mgg s HIS 149 CO 0.12 -0.07 1.14 -1.25 -2.47 0.00 0.00 174.74 172.21 3mgg s PRO 150 N 0.79 2.44 -1.31 2.88 0.04 -1.26 -1.08 135.00 137.50 3mgg s PRO 150 Ca -0.07 1.47 -0.11 0.00 0.04 0.00 0.00 61.00 62.34 3mgg s PRO 150 Cb -0.10 -1.90 0.14 0.00 0.04 0.00 0.00 34.50 32.69 3mgg s PRO 150 CO -0.02 -1.54 1.92 0.39 0.04 0.00 0.00 177.00 177.78 3mgg n GLU 151 N -2.75 3.46 -1.91 4.56 4.71 -1.24 -4.83 120.64 122.64 3mgg n GLU 151 Ca 0.11 -3.37 -0.42 0.00 -0.01 0.00 0.00 57.16 53.47 3mgg n GLU 151 Cb 0.52 -3.01 -0.03 0.00 -1.01 0.00 0.00 31.44 27.91 3mgg n GLU 151 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3mgg s GLY 152 N 1.46 1.53 0.41 0.62 0.00 -1.26 -4.89 107.32 105.19 3mgg s GLY 152 Ca 0.41 1.26 0.09 0.00 0.00 0.00 0.00 44.72 46.48 3mgg s GLY 152 CO -0.01 2.88 2.01 0.50 0.00 0.00 0.00 173.10 178.48 3mgg h LYS 153 N 8.15 0.36 0.07 2.90 1.57 -1.99 -0.86 116.57 126.76 3mgg h LYS 153 Ca -0.43 -0.04 -0.25 0.00 -1.87 0.00 0.00 60.65 58.06 3mgg h LYS 153 Cb 1.20 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3mgg h LYS 153 CO 0.93 0.33 -1.10 0.87 -0.57 0.00 0.00 179.45 179.91 3mgg h LYS 154 N 0.36 0.30 -0.67 3.15 1.79 -1.90 -2.35 116.57 117.25 3mgg h LYS 154 Ca 0.09 -0.42 -0.06 0.00 -2.18 0.00 0.00 60.65 58.08 3mgg h LYS 154 Cb 0.13 0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 3mgg h LYS 154 CO -0.01 1.15 0.18 0.00 -1.08 0.00 0.00 179.45 179.69 3mgg h ALA 155 N 0.69 0.89 -0.65 3.86 0.00 -1.58 -1.03 119.26 121.44 3mgg h ALA 155 Ca -0.10 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 3mgg h ALA 155 Cb 1.79 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 3mgg h ALA 155 CO 0.18 0.59 0.08 0.82 0.00 0.00 0.00 179.25 180.92 3mgg h ILE 156 N 1.00 1.26 -0.36 0.00 2.04 -1.16 -0.81 117.51 119.47 3mgg h ILE 156 Ca 0.21 -1.07 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 3mgg h ILE 156 Cb 0.34 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3mgg h ILE 156 CO -0.00 0.40 0.11 -0.33 0.00 0.00 0.00 178.15 178.32 3mgg h GLU 157 N 1.00 0.57 -0.67 2.37 5.08 -1.09 -0.54 114.58 121.31 3mgg h GLU 157 Ca 0.19 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3mgg h GLU 157 Cb 0.48 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3mgg h GLU 157 CO 0.02 0.59 0.29 0.00 -1.00 0.00 0.00 179.01 178.91 3mgg h ALA 158 N 0.95 0.86 -0.76 3.43 0.00 -1.04 -2.16 119.26 120.55 3mgg h ALA 158 Ca 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3mgg h ALA 158 Cb 0.27 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3mgg h ALA 158 CO -0.00 0.46 0.31 2.35 0.00 0.00 0.00 179.25 182.37 3mgg h TRP 159 N 0.93 1.13 0.00 0.00 2.91 -0.93 -1.88 115.95 118.11 3mgg h TRP 159 Ca 0.22 -0.08 0.00 0.00 1.13 0.00 0.00 58.89 60.17 3mgg h TRP 159 Cb 0.17 -0.34 0.00 0.00 -0.51 0.00 0.00 29.16 28.48 3mgg h TRP 159 CO 0.01 0.85 0.00 -0.91 -1.03 0.00 0.00 178.44 177.36 3mgg h ASN 160 N 1.09 0.00 0.01 2.65 2.35 -0.64 -2.29 115.58 118.76 3mgg h ASN 160 Ca 0.25 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.86 3mgg h ASN 160 Cb 0.19 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3mgg h ASN 160 CO -0.02 0.00 -0.48 0.00 -1.65 0.00 0.00 177.43 175.27 3mgg h LEU 162 N 0.43 0.12 -0.36 0.00 6.46 -1.39 0.25 115.31 120.82 3mgg h LEU 162 Ca 0.02 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 3mgg h LEU 162 Cb 1.01 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.89 3mgg h LEU 162 CO 0.09 0.10 0.19 0.40 -0.62 0.00 0.00 178.44 178.61 3mgg h ILE 163 N 0.12 1.14 -0.62 4.05 2.04 -1.47 -1.81 117.51 120.97 3mgg h ILE 163 Ca 0.04 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 3mgg h ILE 163 Cb 0.01 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3mgg h ILE 163 CO -0.01 0.15 0.12 -0.09 0.00 0.00 0.00 178.15 178.32 3mgg h ARG 164 N 0.45 1.00 -0.22 2.37 2.43 -0.73 -2.13 114.38 117.56 3mgg h ARG 164 Ca 0.12 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 3mgg h ARG 164 Cb 0.07 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3mgg h ARG 164 CO -0.02 0.93 -0.01 0.28 -1.51 0.00 0.00 179.97 179.64 3mgg h VAL 165 N 0.92 1.26 -0.77 0.20 2.07 -0.41 -1.41 116.25 118.10 3mgg h VAL 165 Ca 0.19 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3mgg h VAL 165 Cb 0.40 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 3mgg h VAL 165 CO 0.01 0.29 0.44 -0.61 0.02 0.00 0.00 177.57 177.71 3mgg h GLN 166 N 0.16 1.06 -0.53 1.57 4.15 -1.27 -2.31 115.11 117.94 3mgg h GLN 166 Ca 0.06 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.31 3mgg h GLN 166 Cb 0.43 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 3mgg h GLN 166 CO 0.01 0.77 0.09 0.00 -1.93 0.00 0.00 178.83 177.78 3mgg h ALA 167 N 1.40 0.71 0.00 3.38 0.00 -1.25 -0.43 119.26 123.07 3mgg h ALA 167 Ca 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3mgg h ALA 167 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3mgg h ALA 167 CO -0.05 0.44 0.00 0.98 0.00 0.00 0.00 179.25 180.62 3mgg n TYR 168 N -4.38 0.00 -2.49 0.00 9.36 -0.54 -3.99 117.16 115.12 3mgg n TYR 168 Ca 0.02 -0.10 0.04 0.00 3.32 0.00 0.00 57.90 61.18 3mgg n TYR 168 Cb 0.26 -0.27 0.03 0.00 -0.63 0.00 0.00 39.34 38.73 3mgg n TYR 168 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3mgg n LYS 170 N 1.94 0.24 -1.89 2.98 4.76 -1.13 -5.11 118.16 119.95 3mgg n LYS 170 Ca 0.00 -2.20 -0.02 0.00 -2.87 0.00 0.00 58.31 53.22 3mgg n LYS 170 Cb 0.05 -0.22 -0.00 0.00 -1.84 0.00 0.00 35.03 33.01 3mgg n LYS 170 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mgg n GLY 171 N 0.33 3.44 2.92 0.72 0.00 -0.19 -3.62 105.19 108.79 3mgg n GLY 171 Ca 0.07 -2.20 -0.09 0.00 0.00 0.00 0.00 46.02 43.80 3mgg n GLY 171 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3mgg s ASN 172 N -1.26 0.30 0.00 1.61 2.47 0.14 -4.14 114.94 114.06 3mgg s ASN 172 Ca 0.02 -0.60 0.15 0.00 0.42 0.00 0.00 52.86 52.85 3mgg s ASN 172 Cb -0.00 1.11 0.69 0.00 -1.45 0.00 0.00 41.25 41.60 3mgg s ASN 172 CO 0.01 -0.32 1.43 -1.54 -3.72 0.00 0.00 177.10 172.95 3mgg n SER 173 N 5.10 0.00 -1.38 -4.21 3.41 -1.26 -2.17 113.62 113.11 3mgg n SER 173 Ca 0.03 0.24 0.08 0.00 -0.26 0.00 0.00 58.87 58.97 3mgg n SER 173 Cb 0.49 -0.37 0.32 0.00 -0.26 0.00 0.00 64.21 64.40 3mgg n SER 173 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mgg n LEU 174 N -1.37 4.57 0.24 1.04 4.77 -1.26 -0.82 117.00 124.17 3mgg n LEU 174 Ca 0.06 -2.64 0.09 0.00 -0.03 0.00 0.00 56.01 53.49 3mgg n LEU 174 Cb 0.14 -0.55 0.59 0.00 -2.33 0.00 0.00 43.42 41.26 3mgg n LEU 174 CO 0.12 0.73 0.89 1.62 -1.33 0.00 0.00 177.39 179.42 3mgg h VAL 175 N 3.30 0.77 -0.59 4.08 3.04 -1.61 -3.29 116.25 121.94 3mgg h VAL 175 Ca 0.00 -0.79 0.12 0.00 -1.01 0.00 0.00 66.70 65.03 3mgg h VAL 175 Cb 1.48 1.48 -0.11 0.00 -2.01 0.00 0.00 31.29 32.13 3mgg h VAL 175 CO 0.26 0.19 -0.08 1.23 -1.01 0.00 0.00 177.57 178.16 3mgg h GLY 176 N 1.05 0.52 2.00 3.17 0.00 -1.63 -0.10 103.07 108.08 3mgg h GLY 176 Ca -0.00 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3mgg h GLY 176 CO 0.03 -0.21 0.00 0.07 0.00 0.00 0.00 176.54 176.42 3mgg h ARG 177 N 0.05 0.00 -0.19 4.80 0.11 -1.83 -2.28 114.38 115.03 3mgg h ARG 177 Ca 0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.38 3mgg h ARG 177 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 3mgg h ARG 177 CO -0.57 0.00 0.00 1.04 0.10 0.00 0.00 179.97 180.54 3mgg n GLN 178 N -2.70 2.14 -0.31 0.08 6.02 -0.05 -4.59 117.38 117.96 3mgg n GLN 178 Ca -0.02 -1.69 0.06 0.00 -0.01 0.00 0.00 57.00 55.34 3mgg n GLN 178 Cb 0.05 -1.46 0.22 0.00 1.02 0.00 0.00 30.24 30.07 3mgg n GLN 178 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3mgg h ILE 179 N 3.62 0.81 0.84 5.09 2.04 -1.43 -2.02 117.51 126.46 3mgg h ILE 179 Ca 0.00 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 3mgg h ILE 179 Cb 0.78 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3mgg h ILE 179 CO 0.00 0.14 -0.46 0.22 0.00 0.00 0.00 178.15 178.05 3mgg h TYR 180 N 0.75 -1.20 0.00 1.37 3.20 -1.85 -0.88 116.97 118.36 3mgg h TYR 180 Ca 0.46 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.30 3mgg h TYR 180 Cb 0.56 0.41 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 3mgg h TYR 180 CO -0.06 -0.71 -0.08 -1.00 -1.64 0.00 0.00 178.16 174.68 3mgg h PRO 181 N -1.20 0.00 -0.37 1.82 0.13 -1.87 0.16 132.00 130.67 3mgg h PRO 181 Ca -0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.94 3mgg h PRO 181 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 3mgg h PRO 181 CO 0.15 0.08 -0.07 -0.07 -0.23 0.00 0.00 178.00 177.86 3mgg h LEU 182 N 0.00 0.70 -0.83 1.56 3.38 -1.11 0.99 115.31 120.00 3mgg h LEU 182 Ca -0.00 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.50 3mgg h LEU 182 Cb 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3mgg h LEU 182 CO 0.01 0.89 -0.37 -0.07 0.09 0.00 0.00 178.44 178.98 3mgg h LEU 183 N 0.50 0.45 -0.22 1.67 3.38 -0.52 -1.83 115.31 118.72 3mgg h LEU 183 Ca 0.10 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 3mgg h LEU 183 Cb 0.57 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3mgg h LEU 183 CO 0.03 0.78 -0.26 -0.61 0.09 0.00 0.00 178.44 178.48 3mgg h GLN 184 N 0.36 0.57 -0.13 1.13 -0.00 -0.76 -2.18 115.11 114.10 3mgg h GLN 184 Ca 0.04 -0.31 -0.08 0.00 -0.00 0.00 0.00 58.65 58.30 3mgg h GLN 184 Cb 0.82 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.31 3mgg h GLN 184 CO 0.07 0.91 -0.26 0.93 0.00 0.00 0.00 178.83 180.47 3mgg h GLU 185 N 0.26 0.23 -0.00 1.69 5.08 -0.74 -2.50 114.58 118.59 3mgg h GLU 185 Ca 0.03 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3mgg h GLU 185 Cb 0.82 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3mgg h GLU 185 CO 0.06 0.48 0.00 -1.13 -1.00 0.00 0.00 179.01 177.42 3mgg n SER 186 N -4.15 0.04 0.00 1.42 3.41 -0.70 -4.91 113.62 108.73 3mgg n SER 186 Ca -0.01 -1.41 0.00 0.00 -0.26 0.00 0.00 58.87 57.19 3mgg n SER 186 Cb 0.37 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 3mgg n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mgg n GLY 187 N 0.81 0.61 3.85 5.00 0.00 -0.94 -4.70 105.19 109.81 3mgg n GLY 187 Ca 0.14 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 3mgg n GLY 187 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mgg s PHE 188 N -2.00 3.43 0.43 1.61 0.08 -0.83 -4.92 117.98 115.77 3mgg s PHE 188 Ca 0.00 1.39 0.07 0.00 0.12 0.00 0.00 56.93 58.51 3mgg s PHE 188 Cb 0.00 -2.72 -0.05 0.00 -0.57 0.00 0.00 43.02 39.68 3mgg s PHE 188 CO 0.00 -0.24 0.15 -1.21 -0.10 0.00 0.00 175.22 173.82 3mgg s GLU 189 N -3.81 2.18 -1.54 0.44 2.02 0.86 -4.71 118.70 114.13 3mgg s GLU 189 Ca 0.58 -1.94 -0.10 0.00 0.02 0.00 0.00 54.97 53.53 3mgg s GLU 189 Cb -0.10 -1.90 0.08 0.00 0.10 0.00 0.00 34.13 32.31 3mgg s GLU 189 CO 0.27 -0.15 0.66 1.63 0.02 0.00 0.00 175.26 177.70 3mgg n LYS 190 N -1.22 -3.65 -2.56 1.61 5.02 -1.26 -0.55 118.16 115.55 3mgg n LYS 190 Ca -0.03 0.43 -0.40 0.00 -2.02 0.00 0.00 58.31 56.29 3mgg n LYS 190 Cb 0.65 -4.93 -0.05 0.00 -0.02 0.00 0.00 35.03 30.69 3mgg n LYS 190 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3mgg s ILE 191 N -3.58 3.69 -0.07 -0.18 1.01 -1.26 -4.53 121.20 116.28 3mgg s ILE 191 Ca 0.40 1.69 -0.05 0.00 0.00 0.00 0.00 60.65 62.69 3mgg s ILE 191 Cb -0.21 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.21 3mgg s ILE 191 CO 0.89 0.40 0.17 -0.60 0.00 0.00 0.00 174.94 175.80 3mgg s ARG 192 N -1.29 0.16 -0.02 2.79 3.52 -0.86 -5.00 118.95 118.26 3mgg s ARG 192 Ca 0.44 0.30 0.01 0.00 -0.13 0.00 0.00 55.73 56.35 3mgg s ARG 192 Cb -0.30 -0.01 0.01 0.00 -1.56 0.00 0.00 34.95 33.09 3mgg s ARG 192 CO 0.38 -0.08 -0.05 0.08 -0.81 0.00 0.00 175.30 174.82 3mgg s VAL 193 N 0.52 0.42 0.00 7.11 1.01 -1.26 -0.70 120.40 127.51 3mgg s VAL 193 Ca -0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 3mgg s VAL 193 Cb -0.05 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 3mgg s VAL 193 CO -0.03 0.15 0.05 -1.83 0.00 0.00 0.00 175.10 173.44 3mgg s GLU 194 N 0.26 0.31 0.50 2.72 -1.05 -0.33 -4.99 118.70 116.12 3mgg s GLU 194 Ca -0.03 -0.38 -0.18 0.00 -0.15 0.00 0.00 54.97 54.23 3mgg s GLU 194 Cb -0.07 0.12 -0.08 0.00 -0.44 0.00 0.00 34.13 33.66 3mgg s GLU 194 CO -0.00 -0.06 0.99 -2.14 0.95 0.00 0.00 175.26 174.99 3mgg s PRO 195 N -1.09 3.95 0.11 -4.83 0.02 -1.26 -1.22 135.00 130.68 3mgg s PRO 195 Ca -0.12 1.06 0.04 0.00 0.02 0.00 0.00 61.00 62.01 3mgg s PRO 195 Cb -0.07 -2.13 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 3mgg s PRO 195 CO 0.00 -0.27 -0.11 1.03 -0.33 0.00 0.00 177.00 177.32 3mgg s ARG 196 N -3.74 0.92 -0.29 5.54 1.81 0.89 -4.88 118.95 119.19 3mgg s ARG 196 Ca 0.61 -1.21 0.02 0.00 -1.72 0.00 0.00 55.73 53.43 3mgg s ARG 196 Cb -0.11 -0.65 0.19 0.00 -0.45 0.00 0.00 34.95 33.93 3mgg s ARG 196 CO 0.26 0.11 0.56 0.08 -0.68 0.00 0.00 175.30 175.63 3mgg s VAL 198 N -2.44 -0.94 -0.17 3.52 1.01 0.11 -0.99 120.40 120.50 3mgg s VAL 198 Ca 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 3mgg s VAL 198 Cb -0.03 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 3mgg s VAL 198 CO 0.01 -0.03 -0.03 -0.47 0.00 0.00 0.00 175.10 174.57 3mgg s TYR 199 N 2.80 3.01 -0.03 5.22 5.04 -1.26 -1.72 117.35 130.41 3mgg s TYR 199 Ca 0.15 -0.43 0.04 0.00 -2.44 0.00 0.00 57.07 54.39 3mgg s TYR 199 Cb -0.13 -2.00 -0.00 0.00 0.35 0.00 0.00 41.96 40.18 3mgg s TYR 199 CO -0.24 -0.15 -0.14 0.42 -1.34 0.00 0.00 175.55 174.10 3mgg s ILE 200 N 0.65 1.13 0.29 3.14 1.01 0.71 -4.98 121.20 123.15 3mgg s ILE 200 Ca -0.02 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.08 3mgg s ILE 200 Cb -0.14 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 3mgg s ILE 200 CO 0.02 0.33 0.28 1.51 0.00 0.00 0.00 174.94 177.08 3mgg s ASP 201 N -0.04 1.05 0.09 3.58 1.47 -1.26 -1.00 116.67 120.57 3mgg s ASP 201 Ca -0.00 -1.58 0.08 0.00 1.18 0.00 0.00 52.55 52.23 3mgg s ASP 201 Cb -0.09 0.53 0.41 0.00 -0.34 0.00 0.00 42.92 43.43 3mgg s ASP 201 CO 0.01 -1.04 1.25 -1.54 0.68 0.00 0.00 175.17 174.53 3mgg n SER 202 N -1.12 0.17 -0.24 2.11 3.41 -1.25 -1.38 113.62 115.32 3mgg n SER 202 Ca 0.05 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 3mgg n SER 202 Cb 0.63 -0.60 0.58 0.00 -0.26 0.00 0.00 64.21 64.56 3mgg n SER 202 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mgg n SER 203 N -1.73 0.72 -3.13 4.04 3.41 -1.26 -4.06 113.62 111.61 3mgg n SER 203 Ca 0.00 -1.43 -0.24 0.00 -0.26 0.00 0.00 58.87 56.94 3mgg n SER 203 Cb 0.04 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 63.91 3mgg n SER 203 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3mgg n LYS 204 N -0.36 2.20 -0.22 4.33 5.02 -0.48 -4.94 118.16 123.70 3mgg n LYS 204 Ca 0.17 -4.24 0.27 0.00 -2.02 0.00 0.00 58.31 52.49 3mgg n LYS 204 Cb 0.20 -1.98 0.66 0.00 -0.02 0.00 0.00 35.03 33.89 3mgg n LYS 204 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3mgg h PRO 205 N 3.35 0.12 -0.49 1.97 0.13 -1.78 -1.24 132.00 134.06 3mgg h PRO 205 Ca 0.13 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 65.15 3mgg h PRO 205 Cb 0.70 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 3mgg h PRO 205 CO 0.70 0.08 -0.10 0.93 -0.23 0.00 0.00 178.00 179.37 3mgg h GLU 206 N 0.13 0.91 0.09 0.86 4.39 -1.95 -1.99 114.58 117.01 3mgg h GLU 206 Ca 0.47 -0.32 -0.27 0.00 0.34 0.00 0.00 59.36 59.58 3mgg h GLU 206 Cb 1.64 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 30.24 3mgg h GLU 206 CO -0.07 0.96 -1.17 -0.07 -1.16 0.00 0.00 179.01 177.50 3mgg h LEU 207 N 0.81 0.63 -0.38 1.33 3.38 -1.65 0.43 115.31 119.86 3mgg h LEU 207 Ca 0.13 -0.59 0.05 0.00 0.09 0.00 0.00 57.88 57.57 3mgg h LEU 207 Cb 0.63 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 3mgg h LEU 207 CO 0.04 1.42 0.10 0.58 0.09 0.00 0.00 178.44 180.67 3mgg h VAL 208 N 0.19 0.85 0.13 1.22 2.07 -1.27 0.40 116.25 119.85 3mgg h VAL 208 Ca -0.14 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3mgg h VAL 208 Cb 1.84 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3mgg h VAL 208 CO 0.21 0.04 -0.06 -0.78 0.02 0.00 0.00 177.57 177.00 3mgg h ASP 209 N 0.24 -0.15 -0.15 0.57 3.58 -1.40 -1.84 116.42 117.28 3mgg h ASP 209 Ca 0.18 -0.35 -0.07 0.00 0.42 0.00 0.00 57.03 57.21 3mgg h ASP 209 Cb 0.19 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 3mgg h ASP 209 CO -0.21 0.45 -0.11 1.23 -2.88 0.00 0.00 179.24 177.72 3mgg h GLY 210 N -0.93 0.54 0.00 -0.78 0.00 -0.90 -0.42 103.07 100.59 3mgg h GLY 210 Ca -0.02 -0.37 -0.29 0.00 0.00 0.00 0.00 47.33 46.66 3mgg h GLY 210 CO 0.03 0.34 -1.91 0.33 0.00 0.00 0.00 176.54 175.33 3mgg n PHE 211 N -4.21 0.08 0.16 5.60 7.35 0.14 -3.51 117.46 123.07 3mgg n PHE 211 Ca 0.01 0.04 -0.11 0.00 -0.76 0.00 0.00 57.45 56.62 3mgg n PHE 211 Cb 0.32 -0.83 -0.06 0.00 0.35 0.00 0.00 39.48 39.25 3mgg n PHE 211 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3mgg h ILE 212 N -1.00 0.41 -0.33 -2.13 2.04 -1.25 0.33 117.51 115.58 3mgg h ILE 212 Ca -0.43 -0.72 -0.16 0.00 1.00 0.00 0.00 64.86 64.55 3mgg h ILE 212 Cb 1.36 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3mgg h ILE 212 CO -0.26 0.09 -0.42 -0.07 0.00 0.00 0.00 178.15 177.49 3mgg h LEU 213 N -0.99 0.89 -0.52 1.44 4.07 -1.23 -1.61 115.31 117.36 3mgg h LEU 213 Ca -0.05 -0.42 0.00 0.00 0.08 0.00 0.00 57.88 57.49 3mgg h LEU 213 Cb 0.51 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.00 3mgg h LEU 213 CO 0.08 1.19 -0.63 0.29 -1.08 0.00 0.00 178.44 178.29 3mgg n LYS 214 N -4.04 1.17 0.05 1.13 5.02 -0.18 -4.41 118.16 116.91 3mgg n LYS 214 Ca -0.02 -0.50 0.00 0.00 -2.02 0.00 0.00 58.31 55.76 3mgg n LYS 214 Cb 0.56 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 3mgg n LYS 214 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3mgg n THR 215 N -0.69 1.01 0.48 -0.18 -1.04 -0.78 -4.74 114.28 108.34 3mgg n THR 215 Ca 0.06 0.33 -0.20 0.00 -2.04 0.00 0.00 64.05 62.21 3mgg n THR 215 Cb 0.36 -1.43 -0.10 0.00 -1.82 0.00 0.00 70.33 67.34 3mgg n THR 215 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3mgg h ILE 216 N 0.00 0.11 -0.52 12.58 1.08 -0.31 -3.26 117.51 127.19 3mgg h ILE 216 Ca 0.00 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3mgg h ILE 216 Cb 0.00 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 33.84 3mgg h ILE 216 CO 0.00 0.00 0.34 0.40 -0.69 0.00 0.00 178.15 178.20 3mgg h ILE 217 N -1.22 1.13 0.00 -0.67 2.04 -1.53 -1.87 117.51 115.40 3mgg h ILE 217 Ca -0.12 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3mgg h ILE 217 Cb 0.92 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 3mgg h ILE 217 CO 0.20 0.13 0.00 -2.65 0.00 0.00 0.00 178.15 175.83 3mgg n PRO 218 N -4.72 0.10 0.00 2.37 -0.02 -1.23 -0.91 135.00 130.59 3mgg n PRO 218 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3mgg n PRO 218 Cb 0.02 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3mgg n PRO 218 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3mgg n VAL 220 N 1.12 0.00 0.31 -1.45 0.31 -0.70 -1.05 118.33 116.87 3mgg n VAL 220 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.52 3mgg n VAL 220 Cb 0.05 0.00 1.05 0.00 -0.91 0.00 0.00 33.84 34.03 3mgg n VAL 220 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3mgg h GLU 221 N 0.00 0.00 0.00 5.55 5.08 -1.29 -0.82 114.58 123.09 3mgg h GLU 221 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mgg h GLU 221 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3mgg h GLU 221 CO 0.00 0.00 0.00 0.78 -1.00 0.00 0.00 179.01 178.79 3mgg h GLY 222 N 0.00 0.00 -1.19 -3.84 0.00 -1.33 -2.71 103.07 93.99 3mgg h GLY 222 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3mgg h GLY 222 CO -0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 3mgg n VAL 223 N -2.77 1.57 0.10 4.60 0.24 -0.31 -4.70 118.33 117.06 3mgg n VAL 223 Ca -0.00 -1.43 -0.13 0.00 -2.04 0.00 0.00 64.34 60.73 3mgg n VAL 223 Cb 0.19 0.15 -0.08 0.00 -1.47 0.00 0.00 33.84 32.64 3mgg n VAL 223 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3mgg h LYS 224 N 1.60 -0.19 -0.29 7.34 3.64 -1.54 -1.06 116.57 126.07 3mgg h LYS 224 Ca 0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 3mgg h LYS 224 Cb 1.01 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.81 3mgg h LYS 224 CO 0.09 -0.04 -0.09 1.49 -2.27 0.00 0.00 179.45 178.62 3mgg h GLU 225 N -0.30 -0.03 -0.27 1.90 4.81 -1.84 -1.18 114.58 117.67 3mgg h GLU 225 Ca -0.02 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 3mgg h GLU 225 Cb 0.24 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3mgg h GLU 225 CO 0.03 -0.02 -0.32 0.37 -0.73 0.00 0.00 179.01 178.35 3mgg h GLN 226 N -0.03 0.58 -0.38 1.92 4.15 -1.88 -1.77 115.11 117.71 3mgg h GLN 226 Ca 0.14 -0.26 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 3mgg h GLN 226 Cb 0.25 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 3mgg h GLN 226 CO -0.32 0.83 0.18 0.77 -1.93 0.00 0.00 178.83 178.37 3mgg h SER 227 N 0.49 0.49 -0.61 -0.69 0.02 -0.68 -2.72 113.55 109.85 3mgg h SER 227 Ca 0.06 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 3mgg h SER 227 Cb 0.80 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 3mgg h SER 227 CO 0.07 0.47 0.02 -0.07 -1.14 0.00 0.00 176.83 176.18 3mgg h LEU 228 N 0.47 1.05 -2.42 5.07 3.38 -1.17 -1.82 115.31 119.87 3mgg h LEU 228 Ca 0.13 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3mgg h LEU 228 Cb 0.11 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3mgg h LEU 228 CO -0.02 1.09 0.00 0.29 0.09 0.00 0.00 178.44 179.89 3mgg n LYS 229 N -4.18 0.26 -1.31 1.13 5.02 -0.67 -4.62 118.16 113.79 3mgg n LYS 229 Ca 0.03 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.31 3mgg n LYS 229 Cb 0.34 -1.37 0.01 0.00 -0.02 0.00 0.00 35.03 33.99 3mgg n LYS 229 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3mgg n GLN 231 N 1.11 0.26 0.00 1.97 6.02 -0.72 -5.09 117.38 120.93 3mgg n GLN 231 Ca 0.00 -0.42 0.13 0.00 -0.01 0.00 0.00 57.00 56.70 3mgg n GLN 231 Cb 0.13 0.33 0.32 0.00 1.02 0.00 0.00 30.24 32.04 3mgg n GLN 231 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3mgg n ILE 232 N -0.29 0.00 -3.51 5.09 -5.35 -0.99 -4.91 119.36 109.40 3mgg n ILE 232 Ca -0.09 -0.18 -0.13 0.00 -0.27 0.00 0.00 62.75 62.08 3mgg n ILE 232 Cb 0.53 0.60 -0.04 0.00 -1.74 0.00 0.00 39.64 38.99 3mgg n ILE 232 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 3mgg s ILE 233 N -2.42 0.00 0.19 7.28 2.07 -1.26 -5.07 121.20 122.00 3mgg s ILE 233 Ca 0.25 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.52 3mgg s ILE 233 Cb 0.19 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.75 3mgg s ILE 233 CO 0.50 0.00 0.33 -0.54 -1.91 0.00 0.00 174.94 173.32 3mgg s LYS 234 N -1.96 3.46 0.24 3.50 1.02 -1.26 -4.48 119.74 120.26 3mgg s LYS 234 Ca -0.04 -0.58 -0.05 0.00 0.02 0.00 0.00 55.97 55.33 3mgg s LYS 234 Cb -0.00 -2.91 0.44 0.00 -0.52 0.00 0.00 37.83 34.83 3mgg s LYS 234 CO 0.00 0.46 1.72 1.49 -0.92 0.00 0.00 175.35 178.11 3mgg h GLU 235 N 1.82 0.39 0.54 1.68 4.57 -1.99 -0.38 114.58 121.21 3mgg h GLU 235 Ca -0.49 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.65 3mgg h GLU 235 Cb 1.20 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 3mgg h GLU 235 CO 0.66 0.26 -0.44 0.93 -1.18 0.00 0.00 179.01 179.24 3mgg h GLU 236 N 0.40 -0.93 -0.57 1.92 4.39 -2.00 -1.60 114.58 116.19 3mgg h GLU 236 Ca 0.40 0.06 0.10 0.00 0.34 0.00 0.00 59.36 60.26 3mgg h GLU 236 Cb 0.61 0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 29.40 3mgg h GLU 236 CO -0.41 -0.62 0.15 0.93 -1.16 0.00 0.00 179.01 177.89 3mgg h GLU 237 N -0.97 0.28 0.02 2.33 4.39 -1.84 -2.59 114.58 116.21 3mgg h GLU 237 Ca -0.06 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.64 3mgg h GLU 237 Cb 0.82 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 3mgg h GLU 237 CO -0.01 0.19 -0.16 2.35 -1.16 0.00 0.00 179.01 180.22 3mgg h TRP 238 N 0.29 -0.40 -0.95 4.33 2.91 -0.80 -0.43 115.95 120.90 3mgg h TRP 238 Ca 0.29 0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.38 3mgg h TRP 238 Cb 0.40 0.18 -0.06 0.00 -0.51 0.00 0.00 29.16 29.16 3mgg h TRP 238 CO -0.22 -0.23 0.62 0.93 -1.03 0.00 0.00 178.44 178.51 3mgg h GLU 239 N -0.27 1.08 -0.08 2.65 5.08 -1.03 -1.12 114.58 120.89 3mgg h GLU 239 Ca 0.04 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 3mgg h GLU 239 Cb 0.32 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3mgg h GLU 239 CO -0.14 0.72 -0.50 0.87 -1.00 0.00 0.00 179.01 178.96 3mgg h LYS 240 N 1.12 0.21 -0.53 2.33 1.57 -1.10 -2.58 116.57 117.59 3mgg h LYS 240 Ca 0.40 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.94 3mgg h LYS 240 Cb 0.15 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3mgg h LYS 240 CO -0.15 0.67 -0.14 0.78 -0.57 0.00 0.00 179.45 180.04 3mgg h GLY 241 N 1.36 1.11 1.24 3.86 0.00 0.10 -0.91 103.07 109.83 3mgg h GLY 241 Ca 0.01 -0.92 -0.07 0.00 0.00 0.00 0.00 47.33 46.34 3mgg h GLY 241 CO 0.08 0.84 0.07 -2.22 0.00 0.00 0.00 176.54 175.31 3mgg h ILE 242 N 0.91 1.25 -0.70 2.60 1.08 -1.19 -0.32 117.51 121.14 3mgg h ILE 242 Ca 0.13 -0.98 -0.05 0.00 -0.39 0.00 0.00 64.86 63.57 3mgg h ILE 242 Cb 0.71 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 35.16 3mgg h ILE 242 CO 0.05 0.36 0.24 -0.08 -0.69 0.00 0.00 178.15 178.03 3mgg h GLU 243 N 0.88 1.07 0.00 2.37 4.81 -1.14 -1.82 114.58 120.75 3mgg h GLU 243 Ca 0.18 -0.22 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 3mgg h GLU 243 Cb 0.42 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3mgg h GLU 243 CO 0.01 0.91 -0.52 0.93 -0.73 0.00 0.00 179.01 179.62 3mgg h GLU 244 N 1.02 0.00 -0.34 1.92 5.08 -0.68 -2.60 114.58 118.98 3mgg h GLU 244 Ca 0.23 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.47 3mgg h GLU 244 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3mgg h GLU 244 CO -0.01 0.52 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.19 3mgg h LEU 245 N 0.00 0.71 -1.84 1.33 3.38 -0.61 -2.44 115.31 115.83 3mgg h LEU 245 Ca -0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3mgg h LEU 245 Cb 0.92 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3mgg h LEU 245 CO 0.07 0.94 -0.14 0.45 0.09 0.00 0.00 178.44 179.85 3mgg h HIS 246 N 0.60 0.00 0.00 1.13 3.86 -0.96 -2.18 115.15 117.61 3mgg h HIS 246 Ca 0.08 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 3mgg h HIS 246 Cb 0.75 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.22 3mgg h HIS 246 CO 0.04 0.14 -0.13 0.87 0.86 0.00 0.00 177.93 179.70 3mgg h LYS 247 N 0.00 0.00 0.00 2.45 1.79 -1.25 -1.86 116.57 117.70 3mgg h LYS 247 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3mgg h LYS 247 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3mgg h LYS 247 CO 0.02 0.13 0.00 1.79 -1.08 0.00 0.00 179.45 180.31 3mgg h THR 248 N 0.00 0.00 -0.71 -0.16 1.35 -1.46 -2.58 112.91 109.35 3mgg h THR 248 Ca -0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3mgg h THR 248 Cb 0.30 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3mgg h THR 248 CO 0.02 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.29 3mgg n ALA 249 N -1.94 2.41 -2.25 6.62 0.00 -0.70 -3.55 120.51 121.11 3mgg n ALA 249 Ca 0.02 -1.32 -0.23 0.00 0.00 0.00 0.00 53.44 51.91 3mgg n ALA 249 Cb 0.30 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3mgg n ALA 249 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3mgg s GLU 250 N -1.06 2.36 0.27 0.00 0.41 -0.97 -4.99 118.70 114.71 3mgg s GLU 250 Ca 0.48 -1.77 -0.30 0.00 -0.41 0.00 0.00 54.97 52.96 3mgg s GLU 250 Cb 0.25 -2.33 -0.13 0.00 -1.78 0.00 0.00 34.13 30.15 3mgg s GLU 250 CO 0.32 -0.55 1.38 1.58 -0.49 0.00 0.00 175.26 177.50 3mgg n HIS 251 N -1.82 2.21 0.00 1.61 -0.00 -1.26 -1.16 115.22 114.80 3mgg n HIS 251 Ca 0.04 0.46 0.00 0.00 -0.00 0.00 0.00 57.72 58.22 3mgg n HIS 251 Cb 0.63 -2.45 0.00 0.00 -0.00 0.00 0.00 29.99 28.17 3mgg n HIS 251 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3mgg n GLY 252 N 1.75 1.79 3.91 1.57 0.00 -1.26 -5.04 105.19 107.91 3mgg n GLY 252 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3mgg n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mgg s GLY 253 N -2.00 1.96 0.05 -0.02 0.00 -0.31 -4.66 107.32 102.35 3mgg s GLY 253 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 44.72 44.08 3mgg s GLY 253 CO 0.00 -0.57 -0.05 -0.51 0.00 0.00 0.00 173.10 171.97 3mgg s THR 254 N -1.87 0.39 -0.05 0.90 -4.23 -0.24 -3.92 115.64 106.62 3mgg s THR 254 Ca 0.41 -1.50 -0.07 0.00 -1.18 0.00 0.00 61.69 59.36 3mgg s THR 254 Cb -0.11 -1.10 0.01 0.00 1.34 0.00 0.00 72.50 72.64 3mgg s THR 254 CO 0.28 -0.73 0.17 0.12 -0.54 0.00 0.00 174.62 173.91 3mgg s PHE 255 N -2.78 -0.13 -0.02 3.99 2.19 -0.17 -0.94 117.98 120.12 3mgg s PHE 255 Ca -0.00 0.31 0.01 0.00 0.33 0.00 0.00 56.93 57.57 3mgg s PHE 255 Cb -0.00 0.04 0.02 0.00 -1.31 0.00 0.00 43.02 41.76 3mgg s PHE 255 CO -0.04 -0.15 -0.01 0.00 1.83 0.00 0.00 175.22 176.84 3mgg s TYR 257 N 0.70 -0.28 -0.06 0.00 5.04 -0.70 -2.16 117.35 119.88 3mgg s TYR 257 Ca -0.07 0.68 0.05 0.00 -2.44 0.00 0.00 57.07 55.28 3mgg s TYR 257 Cb -0.10 0.07 -0.02 0.00 0.35 0.00 0.00 41.96 42.26 3mgg s TYR 257 CO -0.01 -0.16 -0.21 0.99 -1.34 0.00 0.00 175.55 174.82 3mgg s THR 258 N 0.56 2.43 0.21 4.34 2.01 -1.26 0.08 115.64 124.01 3mgg s THR 258 Ca -0.04 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.11 3mgg s THR 258 Cb -0.05 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 3mgg s THR 258 CO -0.03 0.57 0.04 -0.36 -0.69 0.00 0.00 174.62 174.15 3mgg s PHE 259 N -0.24 2.88 -0.06 4.92 0.08 -0.16 -2.98 117.98 122.42 3mgg s PHE 259 Ca -0.01 -0.14 0.06 0.00 0.12 0.00 0.00 56.93 56.96 3mgg s PHE 259 Cb -0.13 -1.35 -0.01 0.00 -0.57 0.00 0.00 43.02 40.96 3mgg s PHE 259 CO 0.03 0.54 -0.23 -0.06 -0.10 0.00 0.00 175.22 175.40 3mgg s PHE 260 N -1.93 2.31 -0.15 0.36 0.08 -0.06 -0.08 117.98 118.51 3mgg s PHE 260 Ca 0.29 -0.71 0.02 0.00 0.12 0.00 0.00 56.93 56.66 3mgg s PHE 260 Cb -0.08 -1.52 0.01 0.00 -0.57 0.00 0.00 43.02 40.86 3mgg s PHE 260 CO 0.20 -0.22 -0.19 0.21 -0.10 0.00 0.00 175.22 175.11 3mgg s LYS 261 N -0.09 2.79 0.13 0.44 2.20 -0.36 -1.95 119.74 122.91 3mgg s LYS 261 Ca -0.05 -0.76 0.08 0.00 -0.36 0.00 0.00 55.97 54.88 3mgg s LYS 261 Cb -0.14 -2.34 -0.04 0.00 -1.51 0.00 0.00 37.83 33.81 3mgg s LYS 261 CO 0.04 -0.10 -0.20 0.20 -0.36 0.00 0.00 175.35 174.93 3mgg s GLY 262 N 1.05 1.32 0.03 5.54 0.00 0.60 -1.19 107.32 114.68 3mgg s GLY 262 Ca -0.02 -1.37 0.04 0.00 0.00 0.00 0.00 44.72 43.38 3mgg s GLY 262 CO -0.06 -1.39 -0.13 -0.98 0.00 0.00 0.00 173.10 170.54 3mgg s TRP 263 N -1.56 1.15 0.03 1.90 0.51 0.12 -0.36 118.94 120.73 3mgg s TRP 263 Ca 0.11 -0.34 -0.08 0.00 -2.12 0.00 0.00 56.10 53.67 3mgg s TRP 263 Cb -0.08 -0.69 -0.00 0.00 -0.81 0.00 0.00 33.47 31.89 3mgg s TRP 263 CO 0.05 0.02 0.16 0.20 -0.51 0.00 0.00 176.95 176.87 3mgg s GLY 264 N -1.04 0.07 -0.04 0.98 0.00 -0.55 -2.03 107.32 104.72 3mgg s GLY 264 Ca 0.01 -0.32 0.06 0.00 0.00 0.00 0.00 44.72 44.47 3mgg s GLY 264 CO 0.01 -0.48 -0.23 -1.59 0.00 0.00 0.00 173.10 170.81 3mgg s THR 265 N -2.37 1.84 -2.00 0.90 2.01 0.29 -0.79 115.64 115.52 3mgg s THR 265 Ca -0.07 -0.97 0.30 0.00 0.31 0.00 0.00 61.69 61.27 3mgg s THR 265 Cb -0.02 -1.54 0.86 0.00 0.01 0.00 0.00 72.50 71.81 3mgg s THR 265 CO -0.03 0.52 2.14 1.17 -0.69 0.00 0.00 174.62 177.72