#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0j s VAL 17 N 0.00 5.37 -0.36 1.39 1.01 0.68 -4.05 120.40 124.43 1a0j s VAL 17 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1a0j s VAL 17 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1a0j s VAL 17 CO 0.00 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1a0j n GLY 18 N 3.69 0.65 0.00 4.51 0.00 -1.26 -1.77 105.19 111.00 1a0j n GLY 18 Ca -0.16 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1a0j n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a0j n GLY 19 N -2.50 1.89 3.26 -0.02 0.00 -1.26 -4.90 105.19 101.65 1a0j n GLY 19 Ca -0.03 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 1a0j n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a0j s TYR 20 N 2.38 0.54 -0.07 1.61 1.13 0.24 -4.92 117.35 118.26 1a0j s TYR 20 Ca 0.00 -0.92 -0.30 0.00 -1.41 0.00 0.00 57.07 54.44 1a0j s TYR 20 Cb 0.00 -0.21 -0.03 0.00 -1.10 0.00 0.00 41.96 40.62 1a0j s TYR 20 CO 0.00 -0.63 1.20 -2.00 -2.51 0.00 0.00 175.55 171.61 1a0j s GLU 21 N -3.98 4.34 0.56 -3.49 2.12 -1.26 -0.04 118.70 116.94 1a0j s GLU 21 Ca 0.18 1.66 -0.21 0.00 0.36 0.00 0.00 54.97 56.96 1a0j s GLU 21 Cb 0.05 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 1a0j s GLU 21 CO -0.01 -0.48 1.28 0.00 -0.54 0.00 0.00 175.26 175.52 1a0j s ARG 23 N -2.89 1.18 0.19 0.00 1.81 -1.26 -4.93 118.95 113.06 1a0j s ARG 23 Ca 0.73 1.10 -0.11 0.00 -1.72 0.00 0.00 55.73 55.73 1a0j s ARG 23 Cb -0.42 -1.78 0.21 0.00 -0.45 0.00 0.00 34.95 32.51 1a0j s ARG 23 CO 0.48 -2.37 1.76 -0.22 -0.68 0.00 0.00 175.30 174.26 1a0j h LYS 24 N -1.66 0.40 0.00 3.54 3.64 -2.01 -2.99 116.57 117.49 1a0j h LYS 24 Ca -0.48 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1a0j h LYS 24 Cb 1.27 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1a0j h LYS 24 CO 0.50 0.26 -0.90 0.09 -2.27 0.00 0.00 179.45 177.13 1a0j n ASN 25 N -4.97 0.66 -4.90 4.20 4.13 -1.26 -4.93 115.26 108.19 1a0j n ASN 25 Ca 0.06 -0.01 -0.29 0.00 1.68 0.00 0.00 54.58 56.03 1a0j n ASN 25 Cb 0.21 0.54 0.03 0.00 -1.54 0.00 0.00 39.78 39.02 1a0j n ASN 25 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1a0j s SER 26 N -4.25 5.74 -1.52 6.41 1.04 -1.13 -4.06 113.70 115.93 1a0j s SER 26 Ca 0.04 0.99 -0.05 0.00 0.48 0.00 0.00 55.95 57.41 1a0j s SER 26 Cb 0.13 -1.97 0.02 0.00 0.10 0.00 0.00 66.02 64.30 1a0j s SER 26 CO 0.77 -1.06 0.48 0.00 0.98 0.00 0.00 173.24 174.42 1a0j n ALA 27 N -2.70 -0.93 1.54 5.32 0.00 -1.26 -4.80 120.51 117.67 1a0j n ALA 27 Ca 0.05 0.23 0.13 0.00 0.00 0.00 0.00 53.44 53.85 1a0j n ALA 27 Cb 0.57 -3.39 0.75 0.00 0.00 0.00 0.00 19.45 17.38 1a0j n ALA 27 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a0j n SER 28 N -2.39 0.00 -0.14 0.00 3.41 -1.26 -1.57 113.62 111.67 1a0j n SER 28 Ca -0.12 -0.63 0.14 0.00 -0.26 0.00 0.00 58.87 58.00 1a0j n SER 28 Cb 0.62 -0.07 0.60 0.00 -0.26 0.00 0.00 64.21 65.09 1a0j n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a0j n TYR 29 N -1.07 0.00 -2.29 7.33 0.18 -1.24 -1.63 117.16 118.43 1a0j n TYR 29 Ca 0.18 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.54 1a0j n TYR 29 Cb 0.12 -0.16 -0.03 0.00 -0.38 0.00 0.00 39.34 38.89 1a0j n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1a0j s GLN 30 N -2.44 4.40 0.26 -3.48 2.00 -0.61 -0.66 119.66 119.14 1a0j s GLN 30 Ca 0.30 1.95 0.12 0.00 -2.00 0.00 0.00 55.36 55.72 1a0j s GLN 30 Cb 0.20 -3.26 -0.05 0.00 0.80 0.00 0.00 33.01 30.70 1a0j s GLN 30 CO 0.47 -0.27 -0.20 0.00 -0.50 0.00 0.00 175.29 174.78 1a0j s ALA 31 N 0.60 2.67 0.08 1.58 0.00 -0.53 -4.42 121.76 121.73 1a0j s ALA 31 Ca 0.59 -1.82 0.09 0.00 0.00 0.00 0.00 51.96 50.81 1a0j s ALA 31 Cb -0.34 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1a0j s ALA 31 CO 0.33 0.30 -0.22 -1.12 0.00 0.00 0.00 175.76 175.05 1a0j s SER 32 N -3.34 3.56 -0.14 0.00 0.01 -0.54 -2.04 113.70 111.21 1a0j s SER 32 Ca 0.28 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.99 1a0j s SER 32 Cb -0.05 -0.43 0.01 0.00 0.21 0.00 0.00 66.02 65.76 1a0j s SER 32 CO 0.14 0.22 -0.20 -0.76 0.41 0.00 0.00 173.24 173.05 1a0j s LEU 33 N -1.68 2.02 -0.78 2.44 1.43 -0.57 -0.46 118.68 121.08 1a0j s LEU 33 Ca 0.14 -0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 52.58 1a0j s LEU 33 Cb -0.10 -1.38 0.20 0.00 0.03 0.00 0.00 46.19 44.94 1a0j s LEU 33 CO 0.06 0.04 0.67 -1.58 0.23 0.00 0.00 176.35 175.77 1a0j s GLN 34 N 0.99 3.24 -1.17 1.70 0.74 0.00 -2.25 119.66 122.92 1a0j s GLN 34 Ca -0.04 -2.60 -0.10 0.00 0.05 0.00 0.00 55.36 52.68 1a0j s GLN 34 Cb -0.15 -4.15 0.23 0.00 1.10 0.00 0.00 33.01 30.05 1a0j s GLN 34 CO -0.05 -1.24 1.39 0.43 -0.55 0.00 0.00 175.29 175.27 1a0j n SER 37 N 3.59 5.52 0.00 6.67 7.64 -0.45 -2.07 113.62 134.52 1a0j n SER 37 Ca 0.13 -3.09 0.00 0.00 1.01 0.00 0.00 58.87 56.92 1a0j n SER 37 Cb 0.42 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 1a0j n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a0j n GLY 38 N 2.92 1.98 0.42 0.23 0.00 -1.26 -1.80 105.19 107.68 1a0j n GLY 38 Ca 0.31 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1a0j n GLY 38 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1a0j n TYR 39 N 4.82 0.06 -3.07 1.61 4.01 -1.26 -4.94 117.16 118.39 1a0j n TYR 39 Ca 0.00 -0.07 -0.38 0.00 -0.16 0.00 0.00 57.90 57.29 1a0j n TYR 39 Cb 0.00 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 1a0j n TYR 39 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1a0j s HIS 40 N -0.85 3.79 -0.06 -0.72 2.46 -0.74 -5.05 115.29 114.12 1a0j s HIS 40 Ca 0.13 1.49 0.05 0.00 0.47 0.00 0.00 55.06 57.20 1a0j s HIS 40 Cb 0.09 -2.67 -0.00 0.00 -0.13 0.00 0.00 32.58 29.86 1a0j s HIS 40 CO 0.13 0.45 -0.20 -0.06 -2.47 0.00 0.00 174.74 172.59 1a0j s PHE 41 N -1.30 2.03 0.22 3.88 0.08 -1.26 -1.34 117.98 120.29 1a0j s PHE 41 Ca 0.38 -0.63 0.02 0.00 0.12 0.00 0.00 56.93 56.82 1a0j s PHE 41 Cb -0.20 -1.36 -0.05 0.00 -0.57 0.00 0.00 43.02 40.84 1a0j s PHE 41 CO 0.23 -0.22 0.02 0.00 -0.10 0.00 0.00 175.22 175.15 1a0j s GLY 43 N -3.26 1.76 0.16 0.00 0.00 0.12 -1.51 107.32 104.60 1a0j s GLY 43 Ca 0.29 -1.48 -0.23 0.00 0.00 0.00 0.00 44.72 43.29 1a0j s GLY 43 CO 0.08 -0.95 1.03 -0.32 0.00 0.00 0.00 173.10 172.94 1a0j s GLY 44 N -4.68 -0.01 0.02 0.20 0.00 -0.87 -3.68 107.32 98.31 1a0j s GLY 44 Ca 0.65 -0.16 0.01 0.00 0.00 0.00 0.00 44.72 45.22 1a0j s GLY 44 CO 0.45 1.67 -0.04 -1.35 0.00 0.00 0.00 173.10 173.83 1a0j s SER 45 N -3.26 0.43 -0.25 1.64 1.04 0.06 -1.46 113.70 111.90 1a0j s SER 45 Ca 0.19 -0.40 -0.27 0.00 0.48 0.00 0.00 55.95 55.95 1a0j s SER 45 Cb -0.02 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1a0j s SER 45 CO 0.04 -0.19 0.95 -0.22 0.98 0.00 0.00 173.24 174.80 1a0j s LEU 46 N -1.14 4.07 -0.00 2.42 2.96 0.17 -1.26 118.68 125.90 1a0j s LEU 46 Ca -0.10 1.17 0.11 0.00 -0.22 0.00 0.00 54.13 55.09 1a0j s LEU 46 Cb -0.08 -3.38 -0.13 0.00 0.50 0.00 0.00 46.19 43.10 1a0j s LEU 46 CO -0.00 -0.63 0.42 2.30 -1.32 0.00 0.00 176.35 177.11 1a0j n ILE 47 N 5.37 0.00 -4.02 6.68 -5.35 -0.65 -1.54 119.36 119.85 1a0j n ILE 47 Ca 0.09 -0.24 -0.13 0.00 -0.27 0.00 0.00 62.75 62.20 1a0j n ILE 47 Cb 0.47 0.82 -0.03 0.00 -1.74 0.00 0.00 39.64 39.16 1a0j n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1a0j s SER 48 N -2.35 0.57 0.32 7.28 1.04 -1.16 -4.68 113.70 114.72 1a0j s SER 48 Ca 0.02 -1.33 0.25 0.00 0.48 0.00 0.00 55.95 55.37 1a0j s SER 48 Cb 0.08 0.69 1.11 0.00 0.10 0.00 0.00 66.02 67.99 1a0j s SER 48 CO 0.46 -1.35 1.75 0.77 0.98 0.00 0.00 173.24 175.86 1a0j h SER 49 N 2.11 0.00 0.00 7.02 4.64 -1.96 -3.22 113.55 122.14 1a0j h SER 49 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1a0j h SER 49 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1a0j h SER 49 CO 0.39 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.70 1a0j n THR 50 N -2.36 0.00 -5.02 2.95 -2.24 -1.26 -0.97 114.28 105.38 1a0j n THR 50 Ca 0.01 -0.44 -0.28 0.00 -2.27 0.00 0.00 64.05 61.08 1a0j n THR 50 Cb 0.19 1.12 -0.16 0.00 -2.10 0.00 0.00 70.33 69.39 1a0j n THR 50 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1a0j s TRP 51 N -0.01 1.91 0.06 4.78 0.52 -1.22 -0.56 118.94 124.42 1a0j s TRP 51 Ca 0.00 -0.43 0.09 0.00 0.02 0.00 0.00 56.10 55.78 1a0j s TRP 51 Cb 0.00 -1.24 -0.03 0.00 -1.15 0.00 0.00 33.47 31.05 1a0j s TRP 51 CO 0.00 -0.08 -0.25 0.08 0.02 0.00 0.00 176.95 176.71 1a0j s VAL 52 N -0.34 2.26 -0.06 4.03 1.01 -0.26 -1.64 120.40 125.41 1a0j s VAL 52 Ca 0.04 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.61 1a0j s VAL 52 Cb -0.09 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1a0j s VAL 52 CO 0.00 0.32 -0.03 -0.69 0.00 0.00 0.00 175.10 174.71 1a0j s VAL 53 N -0.86 4.02 0.00 2.92 1.01 -0.39 -0.91 120.40 126.19 1a0j s VAL 53 Ca 0.13 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1a0j s VAL 53 Cb -0.10 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1a0j s VAL 53 CO 0.03 0.54 0.00 -0.24 0.00 0.00 0.00 175.10 175.43 1a0j n SER 54 N 1.98 0.00 -4.80 3.32 2.88 -0.58 -0.76 113.62 115.66 1a0j n SER 54 Ca -0.17 -0.86 -0.38 0.00 -1.33 0.00 0.00 58.87 56.12 1a0j n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1a0j n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a0j s ALA 55 N -1.26 3.63 0.59 -1.46 0.00 -1.26 -1.29 121.76 120.70 1a0j s ALA 55 Ca 0.00 -0.23 0.32 0.00 0.00 0.00 0.00 51.96 52.05 1a0j s ALA 55 Cb 0.00 -2.46 1.91 0.00 0.00 0.00 0.00 23.12 22.58 1a0j s ALA 55 CO 0.00 0.32 2.27 0.00 0.00 0.00 0.00 175.76 178.34 1a0j h ALA 56 N 5.42 1.41 0.00 0.00 0.00 -1.69 -0.79 119.26 123.60 1a0j h ALA 56 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1a0j h ALA 56 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1a0j h ALA 56 CO 0.67 0.01 0.00 -2.39 0.00 0.00 0.00 179.25 177.54 1a0j n HIS 57 N -3.69 0.00 1.16 0.00 1.44 -1.26 -1.58 115.22 111.29 1a0j n HIS 57 Ca -0.03 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.78 1a0j n HIS 57 Cb 0.09 -0.45 0.35 0.00 0.12 0.00 0.00 29.99 30.11 1a0j n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1a0j n TYR 59 N 0.40 2.13 -3.80 0.00 9.36 -0.62 -4.88 117.16 119.75 1a0j n TYR 59 Ca 0.16 0.48 -0.12 0.00 3.32 0.00 0.00 57.90 61.73 1a0j n TYR 59 Cb 0.34 -2.44 -0.10 0.00 -0.63 0.00 0.00 39.34 36.52 1a0j n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1a0j s LYS 60 N -0.81 0.54 0.38 2.98 -0.14 -1.26 -5.08 119.74 116.35 1a0j s LYS 60 Ca 0.65 -0.16 0.05 0.00 -1.36 0.00 0.00 55.97 55.14 1a0j s LYS 60 Cb -0.64 0.24 0.74 0.00 -1.68 0.00 0.00 37.83 36.49 1a0j s LYS 60 CO 0.53 -0.13 2.01 0.77 -0.76 0.00 0.00 175.35 177.77 1a0j h SER 61 N 4.35 0.55 -3.42 2.83 0.02 -1.98 -3.41 113.55 112.49 1a0j h SER 61 Ca -0.29 -0.03 -0.52 0.00 -0.84 0.00 0.00 61.79 60.11 1a0j h SER 61 Cb 1.19 -0.14 -0.33 0.00 0.14 0.00 0.00 62.40 63.25 1a0j h SER 61 CO 0.39 0.44 -0.82 -0.13 -1.14 0.00 0.00 176.83 175.57 1a0j s ARG 62 N -5.45 1.74 -0.05 3.45 1.81 -1.26 -4.83 118.95 114.36 1a0j s ARG 62 Ca -0.09 -0.43 0.03 0.00 -1.72 0.00 0.00 55.73 53.52 1a0j s ARG 62 Cb 0.17 -1.43 0.01 0.00 -0.45 0.00 0.00 34.95 33.25 1a0j s ARG 62 CO 0.75 0.03 -0.12 0.42 -0.68 0.00 0.00 175.30 175.70 1a0j s ILE 63 N 0.65 1.10 -0.27 1.52 1.01 -1.26 -4.34 121.20 119.62 1a0j s ILE 63 Ca -0.15 -0.49 -0.15 0.00 0.00 0.00 0.00 60.65 59.87 1a0j s ILE 63 Cb -0.16 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 1a0j s ILE 63 CO 0.04 0.34 0.36 -1.58 0.00 0.00 0.00 174.94 174.10 1a0j s GLN 64 N 0.46 4.02 -0.15 2.79 0.74 -0.88 -1.10 119.66 125.53 1a0j s GLN 64 Ca -0.10 0.02 -0.17 0.00 0.05 0.00 0.00 55.36 55.16 1a0j s GLN 64 Cb -0.14 -3.65 -0.04 0.00 1.10 0.00 0.00 33.01 30.28 1a0j s GLN 64 CO 0.03 -0.26 0.43 0.08 -0.55 0.00 0.00 175.29 175.01 1a0j s VAL 65 N 2.02 5.20 -0.15 1.34 1.01 0.35 -0.82 120.40 129.37 1a0j s VAL 65 Ca 0.15 0.82 -0.01 0.00 0.00 0.00 0.00 61.98 62.94 1a0j s VAL 65 Cb -0.16 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1a0j s VAL 65 CO 0.10 0.30 -0.11 -0.13 0.00 0.00 0.00 175.10 175.26 1a0j s ARG 66 N 0.86 3.41 0.19 2.72 0.52 0.39 -0.40 118.95 126.64 1a0j s ARG 66 Ca 0.22 -0.66 0.08 0.00 -0.52 0.00 0.00 55.73 54.85 1a0j s ARG 66 Cb -0.15 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.56 1a0j s ARG 66 CO 0.08 0.15 -0.15 -0.51 0.02 0.00 0.00 175.30 174.89 1a0j s LEU 67 N 0.53 2.52 -0.59 2.53 1.43 -0.02 -1.47 118.68 123.62 1a0j s LEU 67 Ca -0.07 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 1a0j s LEU 67 Cb -0.15 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.36 1a0j s LEU 67 CO 0.04 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1a0j n GLY 69 N -0.17 0.64 3.88 -3.19 0.00 -1.26 -1.14 105.19 103.95 1a0j n GLY 69 Ca -0.10 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 1a0j n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a0j s GLU 70 N -2.99 3.51 -0.02 1.61 2.02 -1.26 -3.95 118.70 117.62 1a0j s GLU 70 Ca 0.00 -0.08 -0.04 0.00 0.02 0.00 0.00 54.97 54.87 1a0j s GLU 70 Cb 0.00 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 31.04 1a0j s GLU 70 CO 0.00 0.74 -0.09 1.58 0.02 0.00 0.00 175.26 177.51 1a0j n HIS 71 N 1.76 0.00 -3.56 1.61 -0.00 -1.26 -4.91 115.22 108.86 1a0j n HIS 71 Ca -0.17 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.13 1a0j n HIS 71 Cb 0.54 -0.19 -0.11 0.00 -0.00 0.00 0.00 29.99 30.24 1a0j n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1a0j s ASN 72 N -5.81 5.85 0.04 0.26 3.84 -1.26 -1.73 114.94 116.12 1a0j s ASN 72 Ca -0.09 -0.94 0.23 0.00 0.21 0.00 0.00 52.86 52.27 1a0j s ASN 72 Cb 0.02 -2.07 0.96 0.00 -0.55 0.00 0.00 41.25 39.62 1a0j s ASN 72 CO 0.12 -0.40 1.74 2.30 -2.79 0.00 0.00 177.10 178.07 1a0j n ILE 73 N 5.05 0.47 0.10 -5.21 -5.35 -0.60 -3.68 119.36 110.13 1a0j n ILE 73 Ca -0.12 0.07 0.04 0.00 -0.27 0.00 0.00 62.75 62.48 1a0j n ILE 73 Cb 0.46 -0.73 -0.01 0.00 -1.74 0.00 0.00 39.64 37.62 1a0j n ILE 73 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1a0j h ALA 74 N 2.72 0.66 -1.98 -1.28 0.00 -1.94 -3.48 119.26 113.97 1a0j h ALA 74 Ca 0.00 -0.48 -0.51 0.00 0.00 0.00 0.00 54.91 53.92 1a0j h ALA 74 Cb 0.43 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.17 1a0j h ALA 74 CO 0.00 0.57 -0.63 0.14 0.00 0.00 0.00 179.25 179.33 1a0j s VAL 75 N -3.04 1.50 0.14 0.00 -7.23 -1.24 -5.12 120.40 105.40 1a0j s VAL 75 Ca 0.01 -2.04 -0.28 0.00 -1.81 0.00 0.00 61.98 57.85 1a0j s VAL 75 Cb 0.08 -2.71 -0.07 0.00 0.56 0.00 0.00 36.38 34.24 1a0j s VAL 75 CO 0.77 -0.11 0.88 0.20 -0.31 0.00 0.00 175.10 176.53 1a0j s ASN 76 N -3.51 7.45 0.00 4.85 0.01 -1.26 -4.88 114.94 117.60 1a0j s ASN 76 Ca 0.34 1.73 0.00 0.00 -0.71 0.00 0.00 52.86 54.22 1a0j s ASN 76 Cb 0.07 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.18 1a0j s ASN 76 CO 0.15 0.06 0.00 -0.62 -1.51 0.00 0.00 177.10 175.18 1a0j n GLU 77 N 2.24 2.16 -0.84 -0.60 1.02 -1.26 -5.02 120.64 118.34 1a0j n GLU 77 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1a0j n GLU 77 Cb 0.49 -0.82 0.00 0.00 -0.02 0.00 0.00 31.44 31.09 1a0j n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a0j n GLY 78 N 1.92 0.72 0.00 0.62 0.00 -1.26 -4.90 105.19 102.29 1a0j n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a0j n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a0j n THR 79 N -2.50 0.15 -3.06 2.61 -2.24 -1.26 -5.08 114.28 102.89 1a0j n THR 79 Ca 0.00 -0.53 -0.35 0.00 -2.27 0.00 0.00 64.05 60.90 1a0j n THR 79 Cb 0.00 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 1a0j n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1a0j s GLU 80 N -0.15 4.24 -0.13 -0.78 8.01 -1.25 -4.31 118.70 124.33 1a0j s GLU 80 Ca 0.00 0.89 0.00 0.00 0.01 0.00 0.00 54.97 55.87 1a0j s GLU 80 Cb 0.00 -2.76 0.02 0.00 -4.31 0.00 0.00 34.13 27.08 1a0j s GLU 80 CO 0.00 0.32 -0.12 -0.65 0.01 0.00 0.00 175.26 174.83 1a0j s GLN 81 N -2.21 1.98 -0.34 1.61 -0.21 -0.30 -4.97 119.66 115.22 1a0j s GLN 81 Ca 0.46 -0.44 -0.11 0.00 0.02 0.00 0.00 55.36 55.30 1a0j s GLN 81 Cb -0.15 -1.85 0.00 0.00 1.00 0.00 0.00 33.01 32.01 1a0j s GLN 81 CO 0.20 -0.21 0.18 -0.06 -2.12 0.00 0.00 175.29 173.29 1a0j s PHE 82 N 1.45 3.20 -0.06 0.91 0.08 -1.26 -0.84 117.98 121.46 1a0j s PHE 82 Ca 0.02 -0.64 0.03 0.00 0.12 0.00 0.00 56.93 56.46 1a0j s PHE 82 Cb -0.13 -2.40 0.01 0.00 -0.57 0.00 0.00 43.02 39.92 1a0j s PHE 82 CO -0.08 -0.50 -0.15 0.42 -0.10 0.00 0.00 175.22 174.81 1a0j s ILE 83 N 1.61 1.34 0.37 0.64 1.01 0.47 -4.96 121.20 121.68 1a0j s ILE 83 Ca 0.04 -0.62 -0.25 0.00 0.00 0.00 0.00 60.65 59.82 1a0j s ILE 83 Cb -0.18 -1.18 -0.09 0.00 0.01 0.00 0.00 42.46 41.02 1a0j s ILE 83 CO 0.07 0.40 1.01 -1.81 0.00 0.00 0.00 174.94 174.60 1a0j s ASP 84 N 0.39 7.00 0.64 3.58 1.01 -1.26 -0.49 116.67 127.53 1a0j s ASP 84 Ca -0.11 1.94 -0.17 0.00 0.71 0.00 0.00 52.55 54.93 1a0j s ASP 84 Cb -0.14 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.20 1a0j s ASP 84 CO 0.04 -0.32 1.16 -0.94 0.21 0.00 0.00 175.17 175.32 1a0j s SER 85 N -1.61 5.02 -0.05 0.27 1.04 -0.26 -0.91 113.70 117.19 1a0j s SER 85 Ca 0.55 2.20 0.05 0.00 0.48 0.00 0.00 55.95 59.23 1a0j s SER 85 Cb -0.20 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.27 1a0j s SER 85 CO 0.25 -1.70 0.03 0.55 0.98 0.00 0.00 173.24 173.36 1a0j n VAL 86 N -2.11 0.33 -4.18 5.02 3.14 0.65 -4.58 118.33 116.61 1a0j n VAL 86 Ca 0.12 -0.23 -0.16 0.00 -2.96 0.00 0.00 64.34 61.12 1a0j n VAL 86 Cb 0.51 -0.69 -0.13 0.00 -1.06 0.00 0.00 33.84 32.47 1a0j n VAL 86 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1a0j s LYS 87 N -2.18 0.54 -0.11 1.45 1.02 -1.19 -4.99 119.74 114.29 1a0j s LYS 87 Ca -0.03 -0.43 -0.01 0.00 0.02 0.00 0.00 55.97 55.53 1a0j s LYS 87 Cb 0.02 -0.46 0.03 0.00 -0.52 0.00 0.00 37.83 36.90 1a0j s LYS 87 CO 0.23 0.12 -0.03 0.08 -0.92 0.00 0.00 175.35 174.83 1a0j s VAL 88 N -0.57 0.70 -0.29 3.17 1.01 -1.26 -1.47 120.40 121.68 1a0j s VAL 88 Ca -0.01 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1a0j s VAL 88 Cb -0.05 -0.85 0.08 0.00 0.00 0.00 0.00 36.38 35.56 1a0j s VAL 88 CO 0.00 0.23 0.01 -0.63 0.00 0.00 0.00 175.10 174.71 1a0j s ILE 89 N 1.83 1.71 0.57 2.22 1.01 0.20 -5.00 121.20 123.75 1a0j s ILE 89 Ca 0.04 -1.71 -0.15 0.00 0.00 0.00 0.00 60.65 58.83 1a0j s ILE 89 Cb -0.13 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 1a0j s ILE 89 CO -0.07 -0.41 1.02 -0.04 0.00 0.00 0.00 174.94 175.45 1a0j s MET 90 N 1.24 3.59 0.32 2.79 -1.94 -1.26 -1.05 119.30 122.98 1a0j s MET 90 Ca 0.04 1.02 -0.29 0.00 -1.71 0.00 0.00 55.69 54.74 1a0j s MET 90 Cb -0.19 -2.08 -0.12 0.00 2.01 0.00 0.00 34.83 34.46 1a0j s MET 90 CO -0.11 -0.58 1.45 1.58 -0.01 0.00 0.00 175.02 177.35 1a0j n HIS 91 N -2.03 2.60 0.05 -0.03 -0.00 -0.57 -4.85 115.22 110.39 1a0j n HIS 91 Ca 0.07 0.41 0.20 0.00 0.46 0.00 0.00 57.72 58.87 1a0j n HIS 91 Cb 0.54 -2.51 0.73 0.00 -0.12 0.00 0.00 29.99 28.63 1a0j n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1a0j h PRO 92 N 3.64 0.00 -0.27 1.57 0.11 -1.94 -2.34 132.00 132.77 1a0j h PRO 92 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1a0j h PRO 92 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1a0j h PRO 92 CO 0.70 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.93 1a0j n SER 93 N -4.14 3.71 -4.66 -2.05 7.64 -1.26 -5.02 113.62 107.84 1a0j n SER 93 Ca 0.08 -3.11 -0.46 0.00 1.01 0.00 0.00 58.87 56.39 1a0j n SER 93 Cb 0.56 -0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1a0j n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a0j n TYR 94 N -0.60 2.09 -3.96 1.43 9.36 -0.88 -4.71 117.16 119.88 1a0j n TYR 94 Ca 0.23 0.43 -0.34 0.00 3.32 0.00 0.00 57.90 61.54 1a0j n TYR 94 Cb 0.92 -2.46 -0.14 0.00 -0.63 0.00 0.00 39.34 37.03 1a0j n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1a0j s ASN 95 N 0.41 4.77 0.48 2.98 3.84 -0.32 -4.99 114.94 122.11 1a0j s ASN 95 Ca 0.72 -1.43 0.31 0.00 0.21 0.00 0.00 52.86 52.67 1a0j s ASN 95 Cb -0.69 -1.66 1.33 0.00 -0.55 0.00 0.00 41.25 39.68 1a0j s ASN 95 CO 0.47 -0.27 1.93 0.77 -2.79 0.00 0.00 177.10 177.21 1a0j h SER 96 N 7.90 0.00 -0.01 -4.21 4.64 -1.93 0.14 113.55 120.09 1a0j h SER 96 Ca -0.19 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.87 1a0j h SER 96 Cb 1.05 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1a0j h SER 96 CO 0.52 0.00 -1.03 0.03 -0.87 0.00 0.00 176.83 175.48 1a0j h ARG 97 N 0.00 0.71 -0.00 4.77 3.08 -1.97 -3.35 114.38 117.62 1a0j h ARG 97 Ca 0.00 -0.76 0.00 0.00 0.07 0.00 0.00 59.98 59.29 1a0j h ARG 97 Cb 0.43 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1a0j h ARG 97 CO 0.00 1.33 0.00 0.27 -1.07 0.00 0.00 179.97 180.50 1a0j n ASN 98 N -3.86 1.53 -2.43 7.04 6.94 -1.20 -5.00 115.26 118.27 1a0j n ASN 98 Ca -0.11 -1.53 -0.21 0.00 -0.02 0.00 0.00 54.58 52.72 1a0j n ASN 98 Cb 0.88 -0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 38.29 1a0j n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1a0j n LEU 99 N -0.26 -1.97 -4.76 -4.53 4.77 0.48 -4.98 117.00 105.75 1a0j n LEU 99 Ca 0.00 -0.03 -0.40 0.00 -0.03 0.00 0.00 56.01 55.55 1a0j n LEU 99 Cb 0.13 -2.93 -0.04 0.00 -2.33 0.00 0.00 43.42 38.25 1a0j n LEU 99 CO 0.00 -0.19 0.83 -0.62 -1.33 0.00 0.00 177.39 176.08 1a0j s ASP 100 N -2.08 7.14 -1.12 -1.43 2.15 -1.17 -3.33 116.67 116.84 1a0j s ASP 100 Ca 0.02 2.37 -0.02 0.00 0.43 0.00 0.00 52.55 55.34 1a0j s ASP 100 Cb -0.01 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1a0j s ASP 100 CO 0.02 -0.24 0.94 0.59 -0.17 0.00 0.00 175.17 176.31 1a0j n ASN 101 N 1.07 -2.96 -4.51 -0.34 3.02 -1.26 -1.17 115.26 109.11 1a0j n ASN 101 Ca -0.01 -0.54 -0.44 0.00 -0.03 0.00 0.00 54.58 53.56 1a0j n ASN 101 Cb 0.44 -4.66 -0.00 0.00 -0.61 0.00 0.00 39.78 34.95 1a0j n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1a0j s ASP 102 N -4.01 6.98 -0.03 6.41 2.15 -1.21 -4.32 116.67 122.64 1a0j s ASP 102 Ca 0.12 -2.78 -0.14 0.00 0.43 0.00 0.00 52.55 50.18 1a0j s ASP 102 Cb -0.05 -2.47 0.02 0.00 -0.30 0.00 0.00 42.92 40.12 1a0j s ASP 102 CO 0.66 -0.91 0.31 -0.51 -0.17 0.00 0.00 175.17 174.55 1a0j s ILE 103 N 2.59 0.05 -0.07 4.11 2.07 -1.26 -3.97 121.20 124.72 1a0j s ILE 103 Ca 0.47 -0.39 -0.15 0.00 -1.41 0.00 0.00 60.65 59.17 1a0j s ILE 103 Cb -0.00 -0.59 0.03 0.00 0.13 0.00 0.00 42.46 42.03 1a0j s ILE 103 CO 0.03 -0.22 0.35 -0.32 -1.91 0.00 0.00 174.94 172.87 1a0j s MET 104 N -1.06 0.58 -0.07 3.50 -2.45 -0.41 -1.51 119.30 117.89 1a0j s MET 104 Ca -0.11 0.13 0.02 0.00 -1.25 0.00 0.00 55.69 54.48 1a0j s MET 104 Cb -0.05 0.27 -0.03 0.00 1.25 0.00 0.00 34.83 36.28 1a0j s MET 104 CO 0.04 -0.13 -0.13 -0.51 1.05 0.00 0.00 175.02 175.34 1a0j s LEU 105 N -0.67 2.83 -0.13 4.11 1.43 -0.21 -1.52 118.68 124.52 1a0j s LEU 105 Ca -0.08 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1a0j s LEU 105 Cb -0.04 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.60 1a0j s LEU 105 CO 0.03 0.32 -0.21 -0.63 0.23 0.00 0.00 176.35 176.09 1a0j s ILE 106 N -0.58 1.91 -0.14 -0.59 1.01 -0.09 -0.63 121.20 122.10 1a0j s ILE 106 Ca 0.08 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 59.70 1a0j s ILE 106 Cb -0.11 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 1a0j s ILE 106 CO 0.01 0.52 0.29 -0.75 0.00 0.00 0.00 174.94 175.02 1a0j s LYS 107 N 0.79 4.15 0.35 2.79 2.20 -0.54 -1.10 119.74 128.37 1a0j s LYS 107 Ca -0.09 0.11 -0.21 0.00 -0.36 0.00 0.00 55.97 55.42 1a0j s LYS 107 Cb -0.16 -3.38 -0.10 0.00 -1.51 0.00 0.00 37.83 32.68 1a0j s LYS 107 CO -0.00 0.34 0.88 -0.51 -0.36 0.00 0.00 175.35 175.69 1a0j s LEU 108 N 0.17 4.15 0.12 5.43 1.43 0.28 -0.25 118.68 130.00 1a0j s LEU 108 Ca 0.17 1.62 0.20 0.00 -1.03 0.00 0.00 54.13 55.09 1a0j s LEU 108 Cb -0.13 -4.15 0.81 0.00 0.03 0.00 0.00 46.19 42.75 1a0j s LEU 108 CO 0.05 -0.18 1.60 -1.54 0.23 0.00 0.00 176.35 176.51 1a0j n SER 109 N -0.00 0.32 -3.56 2.29 3.41 -0.09 -4.58 113.62 111.42 1a0j n SER 109 Ca 0.03 0.58 -0.15 0.00 -0.26 0.00 0.00 58.87 59.07 1a0j n SER 109 Cb 0.52 -0.65 -0.05 0.00 -0.26 0.00 0.00 64.21 63.77 1a0j n SER 109 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1a0j s LYS 110 N -3.14 1.04 0.47 4.33 -2.85 -1.26 -5.01 119.74 113.32 1a0j s LYS 110 Ca 0.06 -0.14 -0.24 0.00 -1.00 0.00 0.00 55.97 54.66 1a0j s LYS 110 Cb 0.10 0.48 -0.07 0.00 -2.06 0.00 0.00 37.83 36.28 1a0j s LYS 110 CO 0.34 -0.37 1.27 -1.25 0.10 0.00 0.00 175.35 175.44 1a0j s PRO 111 N -2.20 3.65 0.50 1.78 0.04 -1.26 -4.82 135.00 132.68 1a0j s PRO 111 Ca -0.07 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.82 1a0j s PRO 111 Cb -0.01 -2.48 -0.08 0.00 0.04 0.00 0.00 34.50 31.97 1a0j s PRO 111 CO 0.00 -0.72 1.02 0.00 0.04 0.00 0.00 177.00 177.35 1a0j s ALA 112 N -1.38 2.90 -0.25 8.56 0.00 -0.15 -5.02 121.76 126.43 1a0j s ALA 112 Ca 0.64 0.48 -0.19 0.00 0.00 0.00 0.00 51.96 52.88 1a0j s ALA 112 Cb -0.35 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 1a0j s ALA 112 CO 0.43 -0.31 0.58 -1.12 0.00 0.00 0.00 175.76 175.34 1a0j s SER 113 N -2.30 6.53 0.22 0.00 0.01 -1.26 -4.87 113.70 112.02 1a0j s SER 113 Ca 0.65 0.64 -0.23 0.00 1.31 0.00 0.00 55.95 58.32 1a0j s SER 113 Cb -0.14 -2.31 -0.08 0.00 0.21 0.00 0.00 66.02 63.69 1a0j s SER 113 CO 0.23 -0.32 0.78 -0.76 0.41 0.00 0.00 173.24 173.58 1a0j s LEU 114 N 2.34 4.44 0.00 2.44 1.43 -1.26 -4.77 118.68 123.29 1a0j s LEU 114 Ca 0.24 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 1a0j s LEU 114 Cb -0.16 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1a0j s LEU 114 CO 0.09 0.08 0.00 -0.46 0.23 0.00 0.00 176.35 176.29 1a0j n ASN 115 N 1.02 0.00 0.25 2.29 0.23 -0.10 -4.95 115.26 113.99 1a0j n ASN 115 Ca -0.03 -0.14 0.10 0.00 -0.53 0.00 0.00 54.58 53.99 1a0j n ASN 115 Cb 0.50 0.00 0.66 0.00 -2.08 0.00 0.00 39.78 38.86 1a0j n ASN 115 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1a0j h SER 116 N 0.00 0.00 0.40 0.53 0.02 -2.00 -2.85 113.55 109.65 1a0j h SER 116 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1a0j h SER 116 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1a0j h SER 116 CO 0.00 0.14 -1.32 -1.22 -1.14 0.00 0.00 176.83 173.28 1a0j n TYR 117 N -3.88 0.33 -3.77 3.45 4.01 -1.26 -4.82 117.16 111.21 1a0j n TYR 117 Ca -0.02 0.10 -0.28 0.00 -0.16 0.00 0.00 57.90 57.54 1a0j n TYR 117 Cb 0.23 -0.55 -0.16 0.00 -0.31 0.00 0.00 39.34 38.55 1a0j n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1a0j s VAL 118 N -3.32 0.67 0.21 -0.72 1.01 -1.08 -4.08 120.40 113.08 1a0j s VAL 118 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1a0j s VAL 118 Cb 0.13 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1a0j s VAL 118 CO 0.84 -0.17 0.09 -0.94 0.00 0.00 0.00 175.10 174.92 1a0j s SER 119 N 1.80 0.67 0.29 3.32 1.04 -0.65 -0.92 113.70 119.25 1a0j s SER 119 Ca -0.01 -1.34 0.03 0.00 0.48 0.00 0.00 55.95 55.11 1a0j s SER 119 Cb -0.17 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 1a0j s SER 119 CO -0.08 -0.75 0.45 0.42 0.98 0.00 0.00 173.24 174.26 1a0j s THR 120 N -3.94 5.15 0.02 2.02 -4.23 -1.26 -3.63 115.64 109.78 1a0j s THR 120 Ca 0.35 -0.75 0.05 0.00 -1.18 0.00 0.00 61.69 60.16 1a0j s THR 120 Cb 0.07 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.03 1a0j s THR 120 CO 0.10 -0.43 -0.11 0.54 -0.54 0.00 0.00 174.62 174.18 1a0j s VAL 121 N -2.14 3.30 0.40 2.29 0.11 -0.59 -4.84 120.40 118.93 1a0j s VAL 121 Ca 0.37 -0.96 -0.24 0.00 -2.93 0.00 0.00 61.98 58.23 1a0j s VAL 121 Cb -0.09 -2.43 -0.09 0.00 -1.53 0.00 0.00 36.38 32.24 1a0j s VAL 121 CO 0.32 0.36 1.04 0.00 -3.33 0.00 0.00 175.10 173.49 1a0j s ALA 122 N -0.98 3.07 0.58 1.54 0.00 -1.21 -4.64 121.76 120.12 1a0j s ALA 122 Ca 0.16 0.66 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 1a0j s ALA 122 Cb -0.11 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1a0j s ALA 122 CO 0.07 -0.18 1.03 -0.51 0.00 0.00 0.00 175.76 176.17 1a0j s LEU 123 N -2.72 3.47 0.25 0.00 1.43 -1.26 -0.51 118.68 119.35 1a0j s LEU 123 Ca 0.58 1.69 -0.30 0.00 -1.03 0.00 0.00 54.13 55.08 1a0j s LEU 123 Cb -0.21 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.40 1a0j s LEU 123 CO 0.26 -1.00 1.26 -2.16 0.23 0.00 0.00 176.35 174.94 1a0j s PRO 124 N -4.27 4.43 0.28 1.29 0.04 -1.25 -4.69 135.00 130.84 1a0j s PRO 124 Ca 0.61 2.05 0.20 0.00 0.04 0.00 0.00 61.00 63.89 1a0j s PRO 124 Cb -0.14 -3.16 0.11 0.00 0.04 0.00 0.00 34.50 31.36 1a0j s PRO 124 CO 0.39 -0.14 1.31 0.66 0.04 0.00 0.00 177.00 179.26 1a0j h SER 125 N 4.45 0.00 -5.14 6.66 4.64 -1.95 -3.48 113.55 118.73 1a0j h SER 125 Ca -0.46 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1a0j h SER 125 Cb 1.22 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.22 1a0j h SER 125 CO 0.71 0.22 0.00 -0.94 -0.87 0.00 0.00 176.83 175.96 1a0j s SER 127 N -6.00 -0.17 0.29 4.97 1.04 -1.26 -5.15 113.70 107.42 1a0j s SER 127 Ca 0.03 -0.75 -0.28 0.00 0.48 0.00 0.00 55.95 55.43 1a0j s SER 127 Cb 0.07 0.62 -0.09 0.00 0.10 0.00 0.00 66.02 66.72 1a0j s SER 127 CO 0.74 -1.17 1.02 0.00 0.98 0.00 0.00 173.24 174.81 1a0j s ALA 129 N -1.31 3.20 0.59 0.00 0.00 -1.26 -5.07 121.76 117.91 1a0j s ALA 129 Ca 0.46 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.62 1a0j s ALA 129 Cb -0.27 -2.98 0.01 0.00 0.00 0.00 0.00 23.12 19.89 1a0j s ALA 129 CO 0.34 0.23 0.90 -1.54 0.00 0.00 0.00 175.76 175.69 1a0j s SER 130 N -2.10 5.57 0.47 0.00 1.04 -1.26 -4.99 113.70 112.43 1a0j s SER 130 Ca 0.56 0.70 -0.23 0.00 0.48 0.00 0.00 55.95 57.46 1a0j s SER 130 Cb -0.11 -1.69 -0.08 0.00 0.10 0.00 0.00 66.02 64.24 1a0j s SER 130 CO 0.17 -1.08 1.14 -1.20 0.98 0.00 0.00 173.24 173.25 1a0j n SER 132 N -2.59 1.82 0.00 7.02 7.64 -1.26 -2.15 113.62 124.09 1a0j n SER 132 Ca 0.05 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1a0j n SER 132 Cb 0.58 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1a0j n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a0j n GLY 133 N 1.01 2.27 3.75 0.23 0.00 -0.15 -4.96 105.19 107.33 1a0j n GLY 133 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1a0j n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a0j n THR 134 N -2.00 1.21 -3.39 2.61 -1.04 -0.92 -4.72 114.28 106.04 1a0j n THR 134 Ca 0.00 -0.30 -0.38 0.00 -2.04 0.00 0.00 64.05 61.33 1a0j n THR 134 Cb 0.00 -1.94 -0.06 0.00 -1.82 0.00 0.00 70.33 66.51 1a0j n THR 134 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1a0j s ARG 135 N -0.82 4.16 0.31 -2.82 0.52 -1.26 -1.83 118.95 117.21 1a0j s ARG 135 Ca 0.62 0.45 0.03 0.00 -0.52 0.00 0.00 55.73 56.31 1a0j s ARG 135 Cb -0.50 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 31.60 1a0j s ARG 135 CO 0.52 0.42 0.14 0.00 0.02 0.00 0.00 175.30 176.40 1a0j s LEU 137 N -3.41 1.78 0.12 0.00 2.96 -0.20 -1.06 118.68 118.87 1a0j s LEU 137 Ca 0.34 -0.45 0.08 0.00 -0.22 0.00 0.00 54.13 53.89 1a0j s LEU 137 Cb 0.05 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.57 1a0j s LEU 137 CO 0.16 0.03 -0.15 0.54 -1.32 0.00 0.00 176.35 175.61 1a0j s VAL 138 N 0.96 3.04 0.04 1.68 0.11 -0.33 -1.54 120.40 124.36 1a0j s VAL 138 Ca -0.07 -1.45 -0.09 0.00 -2.93 0.00 0.00 61.98 57.44 1a0j s VAL 138 Cb -0.15 -2.41 0.00 0.00 -1.53 0.00 0.00 36.38 32.29 1a0j s VAL 138 CO -0.01 0.08 0.19 -0.94 -3.33 0.00 0.00 175.10 171.09 1a0j s SER 139 N -2.23 0.04 0.00 3.54 1.04 -1.22 -1.43 113.70 113.44 1a0j s SER 139 Ca 0.20 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1a0j s SER 139 Cb -0.11 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1a0j s SER 139 CO 0.12 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1a0j n GLY 140 N 0.69 1.06 1.51 7.32 0.00 -0.59 -4.40 105.19 110.80 1a0j n GLY 140 Ca -0.19 -1.02 -0.00 0.00 0.00 0.00 0.00 46.02 44.81 1a0j n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1a0j n TRP 141 N -0.60 1.74 -1.18 1.61 8.01 -1.26 -2.07 117.44 123.69 1a0j n TRP 141 Ca 0.00 -1.14 -0.19 0.00 -1.31 0.00 0.00 57.50 54.86 1a0j n TRP 141 Cb 0.00 -0.53 0.15 0.00 -2.01 0.00 0.00 31.31 28.92 1a0j n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1a0j n GLY 142 N -0.38 -2.10 3.71 6.99 0.00 -1.25 -4.29 105.19 107.87 1a0j n GLY 142 Ca 0.33 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 1a0j n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1a0j n ASN 143 N -3.93 3.52 -0.00 1.61 2.85 0.98 -2.69 115.26 117.60 1a0j n ASN 143 Ca 0.10 1.12 0.14 0.00 -0.11 0.00 0.00 54.58 55.83 1a0j n ASN 143 Cb 0.38 -1.53 0.56 0.00 1.24 0.00 0.00 39.78 40.44 1a0j n ASN 143 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1a0j n LEU 144 N 2.63 0.11 -4.09 1.20 4.77 0.04 -0.61 117.00 121.05 1a0j n LEU 144 Ca 0.12 0.38 -0.21 0.00 -0.03 0.00 0.00 56.01 56.26 1a0j n LEU 144 Cb 0.34 -0.43 -0.15 0.00 -2.33 0.00 0.00 43.42 40.85 1a0j n LEU 144 CO 0.64 0.03 -0.46 -0.55 -1.33 0.00 0.00 177.39 175.71 1a0j s SER 145 N -2.95 1.52 0.00 -1.43 0.15 -1.26 -4.39 113.70 105.34 1a0j s SER 145 Ca 0.15 -0.23 0.28 0.00 0.70 0.00 0.00 55.95 56.84 1a0j s SER 145 Cb 0.19 -0.17 1.08 0.00 -1.71 0.00 0.00 66.02 65.41 1a0j s SER 145 CO 0.55 0.16 1.76 0.61 1.20 0.00 0.00 173.24 177.52 1a0j n GLY 146 N 2.77 -0.04 0.00 9.45 0.00 -1.26 -4.31 105.19 111.80 1a0j n GLY 146 Ca -0.14 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1a0j n GLY 146 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a0j n SER 147 N 0.12 1.14 -3.12 1.61 3.41 -1.26 -4.67 113.62 110.85 1a0j n SER 147 Ca 0.19 -1.54 -0.07 0.00 -0.26 0.00 0.00 58.87 57.19 1a0j n SER 147 Cb 0.34 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.31 1a0j n SER 147 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1a0j s SER 148 N -0.54 -0.02 -0.45 4.04 1.04 -1.26 -5.11 113.70 111.40 1a0j s SER 148 Ca 0.00 -0.97 -0.15 0.00 0.48 0.00 0.00 55.95 55.31 1a0j s SER 148 Cb 0.00 0.74 0.06 0.00 0.10 0.00 0.00 66.02 66.92 1a0j s SER 148 CO 0.00 -1.47 0.37 -0.44 0.98 0.00 0.00 173.24 172.68 1a0j s SER 149 N -3.15 6.13 -0.23 7.02 0.01 -1.26 -4.49 113.70 117.73 1a0j s SER 149 Ca 0.17 -1.21 -0.03 0.00 1.31 0.00 0.00 55.95 56.19 1a0j s SER 149 Cb -0.04 -2.17 0.08 0.00 0.21 0.00 0.00 66.02 64.09 1a0j s SER 149 CO 0.09 -0.59 0.08 0.20 0.41 0.00 0.00 173.24 173.43 1a0j s ASN 150 N 2.33 3.15 -0.09 2.44 0.01 -1.26 -5.05 114.94 116.48 1a0j s ASN 150 Ca 0.04 -1.04 -0.04 0.00 -0.71 0.00 0.00 52.86 51.11 1a0j s ASN 150 Cb -0.23 -0.52 -0.04 0.00 0.41 0.00 0.00 41.25 40.88 1a0j s ASN 150 CO 0.08 -0.37 0.10 -0.31 -1.51 0.00 0.00 177.10 175.09 1a0j s TYR 151 N 1.92 3.44 0.55 2.20 1.51 -1.26 -0.78 117.35 124.93 1a0j s TYR 151 Ca 0.04 0.38 -0.07 0.00 -1.01 0.00 0.00 57.07 56.41 1a0j s TYR 151 Cb -0.17 -1.86 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 1a0j s TYR 151 CO -0.18 0.64 0.90 -1.25 -1.11 0.00 0.00 175.55 174.54 1a0j s PRO 152 N -1.17 3.41 -0.14 -1.71 0.04 -1.26 -4.98 135.00 129.19 1a0j s PRO 152 Ca 0.17 0.35 0.09 0.00 0.04 0.00 0.00 61.00 61.64 1a0j s PRO 152 Cb -0.12 -2.25 -0.23 0.00 0.04 0.00 0.00 34.50 31.94 1a0j s PRO 152 CO 0.06 -0.45 0.27 -0.25 0.04 0.00 0.00 177.00 176.67 1a0j n ASP 153 N -2.51 1.00 -4.77 6.66 8.00 -1.26 -4.94 116.55 118.74 1a0j n ASP 153 Ca 0.03 0.15 -0.33 0.00 0.71 0.00 0.00 54.79 55.35 1a0j n ASP 153 Cb 0.55 0.08 -0.07 0.00 -0.02 0.00 0.00 41.12 41.66 1a0j n ASP 153 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1a0j s THR 154 N -2.54 4.63 0.11 -3.53 -4.23 -1.26 -1.56 115.64 107.27 1a0j s THR 154 Ca -0.15 -0.45 -0.34 0.00 -1.18 0.00 0.00 61.69 59.57 1a0j s THR 154 Cb 0.07 -3.12 -0.13 0.00 1.34 0.00 0.00 72.50 70.66 1a0j s THR 154 CO 0.78 0.35 1.64 -0.11 -0.54 0.00 0.00 174.62 176.73 1a0j n LEU 155 N 1.19 3.18 -4.79 4.79 7.94 -0.71 -4.87 117.00 123.73 1a0j n LEU 155 Ca -0.13 1.06 -0.30 0.00 -1.11 0.00 0.00 56.01 55.53 1a0j n LEU 155 Cb 0.53 -1.42 -0.06 0.00 0.53 0.00 0.00 43.42 43.00 1a0j n LEU 155 CO 0.38 -0.24 -0.25 -0.13 -1.11 0.00 0.00 177.39 176.04 1a0j s ARG 156 N 1.55 2.92 0.08 1.96 1.81 -0.88 -1.81 118.95 124.59 1a0j s ARG 156 Ca 0.81 -0.69 0.06 0.00 -1.72 0.00 0.00 55.73 54.19 1a0j s ARG 156 Cb -0.68 -2.74 -0.03 0.00 -0.45 0.00 0.00 34.95 31.05 1a0j s ARG 156 CO 0.40 0.56 -0.16 0.00 -0.68 0.00 0.00 175.30 175.42 1a0j s LEU 158 N -1.72 0.25 -0.08 0.00 2.96 -0.51 -0.59 118.68 118.99 1a0j s LEU 158 Ca 0.01 0.67 -0.19 0.00 -0.22 0.00 0.00 54.13 54.40 1a0j s LEU 158 Cb -0.10 1.00 -0.04 0.00 0.50 0.00 0.00 46.19 47.54 1a0j s LEU 158 CO 0.03 -0.17 0.52 -1.81 -1.32 0.00 0.00 176.35 173.59 1a0j s ASP 159 N 1.22 6.78 -0.01 3.68 1.01 -1.26 -1.18 116.67 126.90 1a0j s ASP 159 Ca -0.09 0.92 -0.16 0.00 0.71 0.00 0.00 52.55 53.94 1a0j s ASP 159 Cb -0.09 -2.31 0.03 0.00 1.01 0.00 0.00 42.92 41.56 1a0j s ASP 159 CO -0.09 0.03 0.34 -1.48 0.21 0.00 0.00 175.17 174.18 1a0j s LEU 160 N 0.38 0.72 0.23 1.23 2.34 -0.22 -4.97 118.68 118.38 1a0j s LEU 160 Ca 0.28 0.13 -0.10 0.00 0.06 0.00 0.00 54.13 54.50 1a0j s LEU 160 Cb -0.16 1.38 -0.07 0.00 -0.56 0.00 0.00 46.19 46.78 1a0j s LEU 160 CO 0.13 -0.47 0.55 -2.16 -1.06 0.00 0.00 176.35 173.34 1a0j s PRO 161 N -1.37 3.81 0.14 1.48 0.04 -1.26 -0.31 135.00 137.53 1a0j s PRO 161 Ca -0.13 0.29 -0.31 0.00 0.04 0.00 0.00 61.00 60.89 1a0j s PRO 161 Cb -0.05 -2.65 -0.08 0.00 0.04 0.00 0.00 34.50 31.76 1a0j s PRO 161 CO 0.04 0.32 1.30 0.42 0.04 0.00 0.00 177.00 179.13 1a0j s ILE 162 N -1.81 3.45 0.40 0.56 1.01 -0.76 -1.09 121.20 122.97 1a0j s ILE 162 Ca 0.47 1.11 0.01 0.00 0.00 0.00 0.00 60.65 62.24 1a0j s ILE 162 Cb -0.11 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 1a0j s ILE 162 CO 0.21 0.12 0.60 -0.76 0.00 0.00 0.00 174.94 175.12 1a0j s LEU 163 N 0.55 3.82 0.67 2.97 1.43 -0.43 -0.98 118.68 126.72 1a0j s LEU 163 Ca 0.59 0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 53.85 1a0j s LEU 163 Cb -0.35 -3.19 0.01 0.00 0.03 0.00 0.00 46.19 42.69 1a0j s LEU 163 CO 0.33 -0.51 1.17 -0.94 0.23 0.00 0.00 176.35 176.63 1a0j s SER 164 N -4.14 4.77 0.29 2.29 1.04 -1.26 -4.70 113.70 111.99 1a0j s SER 164 Ca 0.45 2.23 0.00 0.00 0.48 0.00 0.00 55.95 59.11 1a0j s SER 164 Cb -0.10 -2.58 0.51 0.00 0.10 0.00 0.00 66.02 63.95 1a0j s SER 164 CO 0.37 -1.87 1.90 0.28 0.98 0.00 0.00 173.24 174.90 1a0j h SER 165 N 0.11 0.94 -0.75 7.02 0.02 -1.98 -1.82 113.55 117.09 1a0j h SER 165 Ca -0.48 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.42 1a0j h SER 165 Cb 1.28 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 1a0j h SER 165 CO 0.53 0.59 0.23 0.77 -1.14 0.00 0.00 176.83 177.81 1a0j h SER 166 N 1.06 1.09 -0.70 3.07 4.64 -1.98 -0.12 113.55 120.61 1a0j h SER 166 Ca 0.41 -0.21 -0.07 0.00 -0.47 0.00 0.00 61.79 61.45 1a0j h SER 166 Cb 0.22 -0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 1a0j h SER 166 CO -0.16 1.02 0.16 0.28 -0.87 0.00 0.00 176.83 177.26 1a0j h SER 167 N 1.12 1.07 -0.43 4.97 0.02 -1.74 -0.70 113.55 117.86 1a0j h SER 167 Ca 0.24 -0.23 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1a0j h SER 167 Cb 0.32 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1a0j h SER 167 CO -0.01 1.03 0.03 0.00 -1.14 0.00 0.00 176.83 176.74 1a0j h ASN 169 N 0.58 0.13 1.18 0.00 2.35 -0.94 -0.55 115.58 118.33 1a0j h ASN 169 Ca 0.12 -0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.68 1a0j h ASN 169 Cb 0.44 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1a0j h ASN 169 CO 0.02 0.70 -0.59 0.77 -1.65 0.00 0.00 177.43 176.68 1a0j h SER 170 N 0.08 0.00 -0.01 5.81 4.64 -0.83 -2.79 113.55 120.46 1a0j h SER 170 Ca -0.01 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.14 1a0j h SER 170 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1a0j h SER 170 CO 0.09 0.59 -0.58 0.00 -0.87 0.00 0.00 176.83 176.05 1a0j h ALA 171 N 1.41 0.63 -2.12 5.18 0.00 -0.46 -3.38 119.26 120.53 1a0j h ALA 171 Ca -0.01 -0.53 -0.58 0.00 0.00 0.00 0.00 54.91 53.80 1a0j h ALA 171 Cb 1.33 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 18.64 1a0j h ALA 171 CO 0.08 0.69 -0.83 0.66 0.00 0.00 0.00 179.25 179.85 1a0j n TYR 172 N -3.95 2.01 -1.69 0.00 4.01 -0.26 -4.86 117.16 112.43 1a0j n TYR 172 Ca -0.04 -3.90 -0.44 0.00 -0.16 0.00 0.00 57.90 53.36 1a0j n TYR 172 Cb 0.63 -0.47 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 1a0j n TYR 172 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1a0j n PRO 173 N 0.88 2.64 -0.90 -0.72 -0.04 -1.06 -1.80 135.00 134.01 1a0j n PRO 173 Ca 0.27 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.68 1a0j n PRO 173 Cb 0.47 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 1a0j n PRO 173 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a0j n GLY 174 N 4.15 0.83 0.00 0.55 0.00 -1.26 -4.87 105.19 104.58 1a0j n GLY 174 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 1a0j n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a0j n GLN 175 N -2.27 4.16 -3.19 1.61 6.02 -0.74 -5.00 117.38 117.97 1a0j n GLN 175 Ca 0.00 -0.01 -0.40 0.00 -0.01 0.00 0.00 57.00 56.58 1a0j n GLN 175 Cb 0.00 -0.81 -0.07 0.00 1.02 0.00 0.00 30.24 30.39 1a0j n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1a0j s ILE 176 N -1.64 5.05 0.59 5.09 -1.09 -1.25 -5.04 121.20 122.91 1a0j s ILE 176 Ca 0.01 1.02 0.06 0.00 -2.23 0.00 0.00 60.65 59.50 1a0j s ILE 176 Cb 0.03 -3.88 0.08 0.00 -1.58 0.00 0.00 42.46 37.11 1a0j s ILE 176 CO 0.17 0.10 0.81 0.42 -1.23 0.00 0.00 174.94 175.22 1a0j s THR 177 N 2.10 2.32 -1.45 2.92 -4.23 -1.26 -4.97 115.64 111.07 1a0j s THR 177 Ca 0.24 -0.86 0.13 0.00 -1.18 0.00 0.00 61.69 60.03 1a0j s THR 177 Cb -0.16 -2.47 0.23 0.00 1.34 0.00 0.00 72.50 71.44 1a0j s THR 177 CO 0.09 0.00 1.31 -1.54 -0.54 0.00 0.00 174.62 173.94 1a0j n SER 178 N -2.36 0.00 -1.53 3.99 3.41 -1.26 -1.99 113.62 113.88 1a0j n SER 178 Ca 0.14 0.09 0.10 0.00 -0.26 0.00 0.00 58.87 58.93 1a0j n SER 178 Cb 0.61 -0.27 0.35 0.00 -0.26 0.00 0.00 64.21 64.63 1a0j n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a0j n ASN 179 N -1.27 4.63 -4.23 4.04 3.02 -1.26 -4.92 115.26 115.27 1a0j n ASN 179 Ca 0.06 -2.40 -0.17 0.00 -0.03 0.00 0.00 54.58 52.04 1a0j n ASN 179 Cb 0.10 -0.56 -0.11 0.00 -0.61 0.00 0.00 39.78 38.60 1a0j n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1a0j s MET 180 N -1.75 0.98 0.05 3.52 -1.94 -0.84 -1.06 119.30 118.26 1a0j s MET 180 Ca 0.50 -1.21 -0.04 0.00 -1.71 0.00 0.00 55.69 53.22 1a0j s MET 180 Cb 0.32 -0.83 -0.02 0.00 2.01 0.00 0.00 34.83 36.31 1a0j s MET 180 CO 0.25 0.16 0.07 -0.59 -0.01 0.00 0.00 175.02 174.89 1a0j s PHE 181 N -2.17 0.31 0.01 -0.03 -0.12 -0.00 -4.80 117.98 111.18 1a0j s PHE 181 Ca 0.08 -0.74 -0.00 0.00 -0.05 0.00 0.00 56.93 56.22 1a0j s PHE 181 Cb -0.05 -0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.09 1a0j s PHE 181 CO 0.02 -0.41 0.10 0.00 -0.05 0.00 0.00 175.22 174.88 1a0j s ALA 183 N -1.24 -0.54 0.00 0.00 0.00 -0.90 -1.31 121.76 117.76 1a0j s ALA 183 Ca 0.25 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1a0j s ALA 183 Cb -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1a0j s ALA 183 CO 0.16 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1a0j n GLY 184 N 2.25 0.46 2.84 0.00 0.00 -0.25 -2.89 105.19 107.60 1a0j n GLY 184 Ca -0.17 -1.48 -0.25 0.00 0.00 0.00 0.00 46.02 44.11 1a0j n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a0j s PHE 184 N -3.22 1.16 0.55 1.61 0.08 -1.26 -4.34 117.98 112.57 1a0j s PHE 184 Ca 0.00 -0.56 0.38 0.00 0.12 0.00 0.00 56.93 56.87 1a0j s PHE 184 Cb 0.00 -1.06 2.07 0.00 -0.57 0.00 0.00 43.02 43.46 1a0j s PHE 184 CO 0.00 -0.46 2.27 0.52 -0.10 0.00 0.00 175.22 177.45 1a0j h MET 185 N 8.23 0.00 0.00 0.44 2.86 -1.96 -0.29 114.93 124.21 1a0j h MET 185 Ca -0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1a0j h MET 185 Cb 1.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1a0j h MET 185 CO 0.34 0.02 0.00 0.39 1.06 0.00 0.00 176.91 178.72 1a0j n GLU 186 N -3.30 0.14 0.00 1.72 4.71 -1.26 -0.33 120.64 122.32 1a0j n GLU 186 Ca -0.02 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.38 1a0j n GLU 186 Cb 0.12 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 28.83 1a0j n GLU 186 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1a0j n GLY 187 N 0.64 -1.60 2.30 0.62 0.00 -0.12 -4.36 105.19 102.68 1a0j n GLY 187 Ca 0.04 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1a0j n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a0j n GLY 188 N 0.00 2.73 2.83 -0.02 0.00 -0.05 -4.85 105.19 105.82 1a0j n GLY 188 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1a0j n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a0j s LYS 188 N -0.01 0.00 0.05 1.61 1.02 -1.26 -4.18 119.74 116.97 1a0j s LYS 188 Ca 0.00 0.19 -0.28 0.00 0.02 0.00 0.00 55.97 55.90 1a0j s LYS 188 Cb 0.00 -0.18 0.09 0.00 -0.52 0.00 0.00 37.83 37.22 1a0j s LYS 188 CO 0.00 -0.14 1.07 0.34 -0.92 0.00 0.00 175.35 175.71 1a0j s ASP 189 N 0.88 -0.16 0.93 2.83 2.15 -0.73 -4.43 116.67 118.13 1a0j s ASP 189 Ca -0.07 -0.23 -0.13 0.00 0.43 0.00 0.00 52.55 52.55 1a0j s ASP 189 Cb -0.10 0.34 0.20 0.00 -0.30 0.00 0.00 42.92 43.06 1a0j s ASP 189 CO -0.03 -0.62 1.27 -0.94 -0.17 0.00 0.00 175.17 174.68 1a0j s SER 190 N -2.83 3.24 0.25 -0.34 1.04 -1.26 -0.23 113.70 113.57 1a0j s SER 190 Ca 0.12 0.05 -0.11 0.00 0.48 0.00 0.00 55.95 56.49 1a0j s SER 190 Cb 0.01 -0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.06 1a0j s SER 190 CO -0.02 -2.63 0.56 0.00 0.98 0.00 0.00 173.24 172.13 1a0j n GLN 192 N -0.38 2.26 0.00 0.00 3.00 -1.26 -1.23 117.38 119.76 1a0j n GLN 192 Ca -0.05 0.80 0.00 0.00 -0.01 0.00 0.00 57.00 57.73 1a0j n GLN 192 Cb 0.40 -2.45 0.00 0.00 0.00 0.00 0.00 30.24 28.19 1a0j n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1a0j n GLY 193 N 1.41 2.93 0.10 1.08 0.00 -1.26 -0.01 105.19 109.43 1a0j n GLY 193 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1a0j n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a0j h ASP 194 N 0.00 0.00 -2.08 1.61 3.32 -1.50 -3.33 116.42 114.44 1a0j h ASP 194 Ca 0.00 -0.08 -0.63 0.00 0.02 0.00 0.00 57.03 56.33 1a0j h ASP 194 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 1a0j h ASP 194 CO 0.00 0.04 0.18 -1.20 -1.72 0.00 0.00 179.24 176.54 1a0j n SER 195 N -2.26 1.19 0.00 6.45 7.64 -1.26 -1.28 113.62 124.10 1a0j n SER 195 Ca 0.04 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1a0j n SER 195 Cb 0.44 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1a0j n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a0j n GLY 196 N 1.74 2.29 3.82 0.23 0.00 -0.43 0.12 105.19 112.95 1a0j n GLY 196 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1a0j n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a0j s GLY 197 N -2.05 1.59 0.09 -0.02 0.00 -0.41 -3.23 107.32 103.30 1a0j s GLY 197 Ca 0.00 -0.49 -0.27 0.00 0.00 0.00 0.00 44.72 43.96 1a0j s GLY 197 CO 0.00 0.02 0.84 2.56 0.00 0.00 0.00 173.10 176.53 1a0j s PRO 198 N -5.32 4.59 -0.30 2.90 0.04 -1.26 -1.33 135.00 134.32 1a0j s PRO 198 Ca 0.63 1.23 -0.04 0.00 0.04 0.00 0.00 61.00 62.86 1a0j s PRO 198 Cb -0.14 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 31.08 1a0j s PRO 198 CO 0.52 0.30 0.03 0.08 0.04 0.00 0.00 177.00 177.97 1a0j s VAL 199 N -0.19 3.41 -0.15 -0.36 1.01 -0.34 -3.43 120.40 120.34 1a0j s VAL 199 Ca 0.41 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1a0j s VAL 199 Cb -0.22 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 1a0j s VAL 199 CO 0.26 -0.01 -0.15 -0.69 0.00 0.00 0.00 175.10 174.51 1a0j s VAL 200 N 1.37 2.70 -0.14 2.92 1.01 -0.59 -0.74 120.40 126.94 1a0j s VAL 200 Ca -0.01 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1a0j s VAL 200 Cb -0.18 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.07 1a0j s VAL 200 CO 0.00 0.51 -0.14 0.00 0.00 0.00 0.00 175.10 175.48 1a0j n ASN 202 N 4.67 -0.98 0.00 0.00 3.02 -1.26 -1.87 115.26 118.85 1a0j n ASN 202 Ca -0.17 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 1a0j n ASN 202 Cb 0.50 -2.69 0.00 0.00 -0.61 0.00 0.00 39.78 36.98 1a0j n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a0j n GLY 203 N -2.08 0.32 3.26 7.41 0.00 -1.26 -5.00 105.19 107.84 1a0j n GLY 203 Ca -0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 1a0j n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a0j s GLN 204 N -0.79 1.66 -0.46 1.61 -0.21 -0.78 -3.35 119.66 117.34 1a0j s GLN 204 Ca 0.00 -0.87 -0.28 0.00 0.02 0.00 0.00 55.36 54.22 1a0j s GLN 204 Cb 0.00 -1.69 0.01 0.00 1.00 0.00 0.00 33.01 32.34 1a0j s GLN 204 CO 0.00 0.45 1.41 -1.17 -2.12 0.00 0.00 175.29 173.86 1a0j s LEU 209 N -0.81 3.53 -0.12 2.90 2.96 0.34 -1.07 118.68 126.40 1a0j s LEU 209 Ca 0.09 0.65 0.18 0.00 -0.22 0.00 0.00 54.13 54.82 1a0j s LEU 209 Cb -0.09 -3.39 -0.26 0.00 0.50 0.00 0.00 46.19 42.95 1a0j s LEU 209 CO 0.00 -1.52 0.22 0.00 -1.32 0.00 0.00 176.35 173.72 1a0j n GLN 210 N 8.26 0.82 -4.01 1.98 1.13 0.08 -3.82 117.38 121.82 1a0j n GLN 210 Ca 0.15 -0.08 -0.09 0.00 -1.94 0.00 0.00 57.00 55.05 1a0j n GLN 210 Cb 0.48 -1.48 -0.09 0.00 0.11 0.00 0.00 30.24 29.27 1a0j n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1a0j s GLY 211 N -4.89 0.49 -0.07 1.08 0.00 -0.91 -2.12 107.32 100.90 1a0j s GLY 211 Ca -0.08 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 43.64 1a0j s GLY 211 CO 0.79 -1.07 -0.19 0.14 0.00 0.00 0.00 173.10 172.77 1a0j s VAL 212 N -3.94 1.64 0.09 1.40 1.01 -1.06 -1.20 120.40 118.35 1a0j s VAL 212 Ca 0.13 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 1a0j s VAL 212 Cb 0.06 -1.43 -0.10 0.00 0.00 0.00 0.00 36.38 34.91 1a0j s VAL 212 CO -0.05 0.47 1.89 0.52 0.00 0.00 0.00 175.10 177.93 1a0j n VAL 213 N 3.49 0.52 0.05 2.92 0.31 -0.44 -1.13 118.33 124.04 1a0j n VAL 213 Ca -0.20 -0.09 -0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1a0j n VAL 213 Cb 0.52 -2.21 -0.00 0.00 -0.91 0.00 0.00 33.84 31.25 1a0j n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1a0j n SER 214 N 6.35 1.05 -2.71 4.52 2.88 -0.95 -1.31 113.62 123.44 1a0j n SER 214 Ca 0.19 0.13 -0.09 0.00 -1.33 0.00 0.00 58.87 57.77 1a0j n SER 214 Cb 0.39 -0.32 0.02 0.00 -0.75 0.00 0.00 64.21 63.55 1a0j n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1a0j n TRP 215 N -3.43 -2.17 0.00 0.66 4.27 -0.95 -4.91 117.44 110.91 1a0j n TRP 215 Ca -0.00 -1.82 0.00 0.00 -3.89 0.00 0.00 57.50 51.79 1a0j n TRP 215 Cb 0.00 0.83 0.00 0.00 -1.36 0.00 0.00 31.31 30.78 1a0j n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1a0j n GLY 216 N -0.51 1.09 3.56 -1.67 0.00 -1.26 -1.13 105.19 105.26 1a0j n GLY 216 Ca -0.07 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 1a0j n GLY 216 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a0j s TYR 217 N -2.00 3.20 0.00 1.61 2.02 -1.26 -4.95 117.35 115.97 1a0j s TYR 217 Ca 0.00 0.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 1a0j s TYR 217 Cb 0.00 -2.34 0.00 0.00 -0.40 0.00 0.00 41.96 39.22 1a0j s TYR 217 CO 0.00 -0.19 0.00 0.41 -1.57 0.00 0.00 175.55 174.20 1a0j n GLY 219 N 4.98 0.43 3.00 0.71 0.00 -1.26 -4.76 105.19 108.29 1a0j n GLY 219 Ca -0.15 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 1a0j n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a0j n ALA 221 N 3.54 -0.51 -2.11 0.00 0.00 -1.26 -4.36 120.51 115.82 1a0j n ALA 221 Ca -0.19 0.23 -0.31 0.00 0.00 0.00 0.00 53.44 53.17 1a0j n ALA 221 Cb 0.56 -2.09 -0.04 0.00 0.00 0.00 0.00 19.45 17.87 1a0j n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1a0j s GLN 221 N -4.52 3.89 0.27 0.00 -0.21 -1.26 -0.87 119.66 116.96 1a0j s GLN 221 Ca 0.00 0.63 -0.30 0.00 0.02 0.00 0.00 55.36 55.70 1a0j s GLN 221 Cb 0.00 -2.36 -0.11 0.00 1.00 0.00 0.00 33.01 31.54 1a0j s GLN 221 CO 0.00 -0.01 1.56 0.50 -2.12 0.00 0.00 175.29 175.22 1a0j s ARG 222 N -3.59 4.16 -1.90 2.91 3.52 -1.26 -2.61 118.95 120.18 1a0j s ARG 222 Ca 0.54 2.51 0.00 0.00 -0.13 0.00 0.00 55.73 58.64 1a0j s ARG 222 Cb -0.10 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 1a0j s ARG 222 CO 0.26 -0.59 0.00 0.09 -0.81 0.00 0.00 175.30 174.26 1a0j n ASN 223 N 2.37 -5.38 -3.24 -2.12 3.02 0.54 -4.91 115.26 105.55 1a0j n ASN 223 Ca 0.08 0.30 -0.25 0.00 -0.03 0.00 0.00 54.58 54.69 1a0j n ASN 223 Cb 0.38 -4.52 -0.07 0.00 -0.61 0.00 0.00 39.78 34.96 1a0j n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1a0j n LYS 224 N -2.58 0.86 -1.04 3.52 4.76 -1.07 -4.57 118.16 118.03 1a0j n LYS 224 Ca -0.20 -3.37 -0.29 0.00 -2.87 0.00 0.00 58.31 51.57 1a0j n LYS 224 Cb 0.64 -1.36 0.18 0.00 -1.84 0.00 0.00 35.03 32.65 1a0j n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1a0j s PRO 225 N -1.21 0.50 0.55 1.97 0.04 -1.26 -4.33 135.00 131.26 1a0j s PRO 225 Ca 0.35 0.74 -0.18 0.00 0.04 0.00 0.00 61.00 61.95 1a0j s PRO 225 Cb 0.16 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.91 1a0j s PRO 225 CO -0.11 -2.74 1.06 0.20 0.04 0.00 0.00 177.00 175.45 1a0j s GLY 226 N -3.23 2.36 -0.09 0.56 0.00 -1.14 -4.73 107.32 101.04 1a0j s GLY 226 Ca 0.65 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.93 1a0j s GLY 226 CO 0.59 0.88 -0.09 0.14 0.00 0.00 0.00 173.10 174.62 1a0j s VAL 227 N -2.16 3.52 0.03 1.40 1.01 -0.29 -2.12 120.40 121.80 1a0j s VAL 227 Ca 0.67 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1a0j s VAL 227 Cb -0.18 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1a0j s VAL 227 CO 0.29 0.57 -0.15 -0.31 0.00 0.00 0.00 175.10 175.50 1a0j s TYR 228 N -0.42 1.30 0.16 5.22 1.51 0.80 -2.24 117.35 123.68 1a0j s TYR 228 Ca 0.06 -0.34 -0.31 0.00 -1.01 0.00 0.00 57.07 55.48 1a0j s TYR 228 Cb -0.12 -0.78 -0.09 0.00 -0.11 0.00 0.00 41.96 40.86 1a0j s TYR 228 CO 0.02 0.03 1.39 0.99 -1.11 0.00 0.00 175.55 176.87 1a0j s THR 229 N -0.76 3.13 -0.99 -0.71 2.01 -0.29 -0.82 115.64 117.22 1a0j s THR 229 Ca 0.03 0.86 -0.21 0.00 0.31 0.00 0.00 61.69 62.68 1a0j s THR 229 Cb -0.08 -3.55 0.09 0.00 0.01 0.00 0.00 72.50 68.97 1a0j s THR 229 CO 0.01 0.09 1.32 -0.75 -0.69 0.00 0.00 174.62 174.60 1a0j s LYS 230 N 0.57 3.61 0.47 4.92 2.20 -0.23 -2.56 119.74 128.73 1a0j s LYS 230 Ca 0.62 -1.43 0.13 0.00 -0.36 0.00 0.00 55.97 54.93 1a0j s LYS 230 Cb -0.38 -5.17 1.11 0.00 -1.51 0.00 0.00 37.83 31.88 1a0j s LYS 230 CO 0.34 -2.02 2.10 0.28 -0.36 0.00 0.00 175.35 175.69 1a0j h VAL 231 N 6.34 1.02 0.00 4.02 2.07 -1.74 -1.79 116.25 126.17 1a0j h VAL 231 Ca 0.19 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1a0j h VAL 231 Cb 1.01 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1a0j h VAL 231 CO 1.29 0.04 0.00 0.00 0.02 0.00 0.00 177.57 178.92 1a0j n ASN 233 N -2.22 0.23 -0.17 0.00 4.13 -0.67 -3.95 115.26 112.60 1a0j n ASN 233 Ca 0.00 0.54 0.06 0.00 1.68 0.00 0.00 54.58 56.86 1a0j n ASN 233 Cb 0.13 -0.59 0.11 0.00 -1.54 0.00 0.00 39.78 37.89 1a0j n ASN 233 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1a0j n TYR 234 N -1.73 0.13 -0.29 3.10 4.01 0.18 -4.77 117.16 117.79 1a0j n TYR 234 Ca 0.05 -0.78 -0.04 0.00 -0.16 0.00 0.00 57.90 56.97 1a0j n TYR 234 Cb 0.29 -0.12 0.07 0.00 -0.31 0.00 0.00 39.34 39.27 1a0j n TYR 234 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a0j h ARG 235 N 0.33 1.04 -0.02 -0.72 3.08 -1.68 -0.66 114.38 115.75 1a0j h ARG 235 Ca 0.00 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.81 1a0j h ARG 235 Cb 0.86 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1a0j h ARG 235 CO 0.02 0.69 -0.78 0.77 -1.07 0.00 0.00 179.97 179.60 1a0j h SER 236 N 1.07 0.26 -0.39 7.04 0.02 -1.91 -1.99 113.55 117.65 1a0j h SER 236 Ca 0.29 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1a0j h SER 236 Cb -0.11 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1a0j h SER 236 CO -0.07 0.94 0.14 -0.25 -1.14 0.00 0.00 176.83 176.45 1a0j h TRP 237 N 0.13 0.61 -0.23 3.45 7.01 -1.80 -0.68 115.95 124.44 1a0j h TRP 237 Ca -0.03 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 60.90 1a0j h TRP 237 Cb 1.37 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 28.24 1a0j h TRP 237 CO 0.03 0.56 0.09 0.82 -2.79 0.00 0.00 178.44 177.14 1a0j h ILE 238 N 0.48 1.17 -0.13 2.65 2.04 -1.00 0.10 117.51 122.82 1a0j h ILE 238 Ca 0.13 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1a0j h ILE 238 Cb 0.22 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1a0j h ILE 238 CO -0.01 0.17 0.02 0.28 0.00 0.00 0.00 178.15 178.61 1a0j h SER 239 N 0.22 -0.00 -0.76 1.72 0.02 -1.24 -1.45 113.55 112.06 1a0j h SER 239 Ca 0.08 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1a0j h SER 239 Cb 0.18 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 1a0j h SER 239 CO -0.01 0.02 0.45 0.28 -1.14 0.00 0.00 176.83 176.43 1a0j h SER 240 N 0.08 0.92 -0.63 3.07 0.02 -0.99 -1.65 113.55 114.37 1a0j h SER 240 Ca 0.06 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 1a0j h SER 240 Cb 0.05 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1a0j h SER 240 CO -0.08 0.72 0.03 0.74 -1.14 0.00 0.00 176.83 177.11 1a0j h THR 241 N 1.04 1.27 -0.00 -2.27 2.02 -0.52 -1.15 112.91 113.30 1a0j h THR 241 Ca 0.27 -1.12 -0.09 0.00 0.77 0.00 0.00 66.41 66.24 1a0j h THR 241 Cb -0.02 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1a0j h THR 241 CO -0.05 0.41 -0.44 0.24 0.37 0.00 0.00 175.52 176.06 1a0j h MET 242 N 1.00 0.01 0.09 6.66 2.86 -1.02 -2.39 114.93 122.14 1a0j h MET 242 Ca 0.18 -0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.55 1a0j h MET 242 Cb 0.53 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.20 1a0j h MET 242 CO 0.03 0.45 -1.16 0.77 1.06 0.00 0.00 176.91 178.05 1a0j h SER 243 N 0.01 0.58 -0.01 1.22 0.02 -0.83 -3.30 113.55 111.23 1a0j h SER 243 Ca -0.00 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1a0j h SER 243 Cb 0.78 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1a0j h SER 243 CO 0.06 1.39 0.00 -1.20 -1.14 0.00 0.00 176.83 175.93 1a0j n SER 244 N -3.67 0.95 0.00 3.07 7.64 -0.48 -5.10 113.62 116.03 1a0j n SER 244 Ca -0.09 -1.32 0.00 0.00 1.01 0.00 0.00 58.87 58.47 1a0j n SER 244 Cb 0.96 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 1a0j n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62