#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3i n MET 2 N 0.00 -0.12 -4.05 2.12 1.56 -1.26 -5.01 117.12 110.37 1j3i n MET 2 Ca 0.00 0.01 -0.24 0.00 -0.27 0.00 0.00 57.70 57.20 1j3i n MET 2 Cb 0.00 -1.83 -0.04 0.00 2.15 0.00 0.00 33.22 33.50 1j3i n MET 2 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 1j3i s GLU 3 N -3.36 3.10 0.12 2.12 2.02 -1.26 -5.11 118.70 116.32 1j3i s GLU 3 Ca 0.59 -0.84 -0.08 0.00 0.02 0.00 0.00 54.97 54.66 1j3i s GLU 3 Cb -0.25 -2.73 -0.06 0.00 0.10 0.00 0.00 34.13 31.20 1j3i s GLU 3 CO 0.65 0.46 0.40 -0.65 0.02 0.00 0.00 175.26 176.15 1j3i s GLN 4 N -3.44 3.71 0.19 1.61 -0.21 -1.26 -4.98 119.66 115.28 1j3i s GLN 4 Ca 0.33 0.08 -0.23 0.00 0.02 0.00 0.00 55.36 55.56 1j3i s GLN 4 Cb -0.10 -2.91 0.10 0.00 1.00 0.00 0.00 33.01 31.11 1j3i s GLN 4 CO 0.26 0.50 1.55 0.28 -2.12 0.00 0.00 175.29 175.76 1j3i h VAL 5 N 2.48 0.03 -1.14 1.09 2.07 -1.97 -1.71 116.25 117.11 1j3i h VAL 5 Ca -0.48 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.38 1j3i h VAL 5 Cb 1.18 0.03 -0.12 0.00 -1.52 0.00 0.00 31.29 30.86 1j3i h VAL 5 CO 0.69 0.00 0.72 0.00 0.02 0.00 0.00 177.57 179.00 1j3i h ASP 7 N 0.27 -0.26 -0.40 0.00 3.58 -1.63 -1.46 116.42 116.50 1j3i h ASP 7 Ca 0.71 -0.18 0.06 0.00 0.42 0.00 0.00 57.03 58.04 1j3i h ASP 7 Cb 1.93 0.07 -0.06 0.00 1.72 0.00 0.00 39.33 42.99 1j3i h ASP 7 CO -0.40 0.25 0.07 0.58 -2.88 0.00 0.00 179.24 176.86 1j3i h VAL 8 N -1.00 0.78 -0.17 2.25 2.07 -1.29 -2.37 116.25 116.52 1j3i h VAL 8 Ca -0.03 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1j3i h VAL 8 Cb 0.42 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1j3i h VAL 8 CO 0.05 0.04 0.00 0.49 0.02 0.00 0.00 177.57 178.17 1j3i n PHE 9 N -5.11 0.21 -3.63 1.57 3.72 -0.46 -4.67 117.46 109.09 1j3i n PHE 9 Ca 0.03 -0.11 -0.24 0.00 -0.05 0.00 0.00 57.45 57.09 1j3i n PHE 9 Cb 0.19 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.74 1j3i n PHE 9 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1j3i n ASP 10 N 0.32 -5.56 -4.66 4.37 8.00 -0.83 -4.31 116.55 113.89 1j3i n ASP 10 Ca 0.16 -0.83 -0.37 0.00 0.71 0.00 0.00 54.79 54.47 1j3i n ASP 10 Cb 0.33 -2.94 -0.09 0.00 -0.02 0.00 0.00 41.12 38.40 1j3i n ASP 10 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1j3i s ILE 11 N -3.18 5.33 0.23 0.53 1.01 -0.61 -1.89 121.20 122.61 1j3i s ILE 11 Ca 0.19 0.26 0.06 0.00 0.00 0.00 0.00 60.65 61.16 1j3i s ILE 11 Cb -0.08 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1j3i s ILE 11 CO 0.86 0.32 -0.08 -0.31 0.00 0.00 0.00 174.94 175.74 1j3i s TYR 12 N 1.16 1.69 0.03 3.97 2.02 0.56 -1.17 117.35 125.61 1j3i s TYR 12 Ca 0.09 -0.72 0.08 0.00 -0.37 0.00 0.00 57.07 56.15 1j3i s TYR 12 Cb -0.14 -0.90 -0.03 0.00 -0.40 0.00 0.00 41.96 40.49 1j3i s TYR 12 CO 0.05 0.20 -0.23 0.00 -1.57 0.00 0.00 175.55 174.01 1j3i s ALA 13 N -3.14 2.38 -0.03 3.71 0.00 -0.83 0.14 121.76 123.99 1j3i s ALA 13 Ca 0.25 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1j3i s ALA 13 Cb 0.03 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.57 1j3i s ALA 13 CO 0.08 0.55 0.01 -1.50 0.00 0.00 0.00 175.76 174.90 1j3i s ILE 14 N -0.82 0.10 0.35 0.00 2.07 -0.97 -0.57 121.20 121.38 1j3i s ILE 14 Ca 0.12 0.14 -0.07 0.00 -1.41 0.00 0.00 60.65 59.44 1j3i s ILE 14 Cb -0.10 -0.22 0.02 0.00 0.13 0.00 0.00 42.46 42.29 1j3i s ILE 14 CO 0.03 0.13 0.57 0.00 -1.91 0.00 0.00 174.94 173.76 1j3i s ALA 16 N -2.86 0.10 -0.01 0.00 0.00 -1.26 -1.54 121.76 116.18 1j3i s ALA 16 Ca 0.26 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.50 1j3i s ALA 16 Cb -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1j3i s ALA 16 CO 0.17 -0.09 -0.11 0.00 0.00 0.00 0.00 175.76 175.74 1j3i s LYS 19 N -3.20 3.77 -0.04 0.00 1.02 -0.70 -1.39 119.74 119.19 1j3i s LYS 19 Ca 0.18 0.23 -0.17 0.00 0.02 0.00 0.00 55.97 56.23 1j3i s LYS 19 Cb -0.01 -2.65 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 1j3i s LYS 19 CO 0.12 0.30 0.46 0.08 -0.92 0.00 0.00 175.35 175.39 1j3i s VAL 20 N -1.86 5.05 -2.00 3.17 1.01 -1.26 -2.57 120.40 121.94 1j3i s VAL 20 Ca 0.47 0.94 0.12 0.00 0.00 0.00 0.00 61.98 63.51 1j3i s VAL 20 Cb -0.11 -3.78 0.34 0.00 0.00 0.00 0.00 36.38 32.82 1j3i s VAL 20 CO 0.23 0.47 1.13 1.21 0.00 0.00 0.00 175.10 178.14 1j3i n GLU 21 N 2.58 0.44 -1.65 2.72 2.13 -1.01 -4.82 120.64 121.03 1j3i n GLU 21 Ca -0.11 0.00 -0.53 0.00 0.66 0.00 0.00 57.16 57.19 1j3i n GLU 21 Cb 0.52 -1.42 -0.06 0.00 0.27 0.00 0.00 31.44 30.75 1j3i n GLU 21 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1j3i n SER 22 N -0.92 2.28 -4.56 4.31 2.88 -1.26 -4.71 113.62 111.63 1j3i n SER 22 Ca 0.09 1.08 -0.40 0.00 -1.33 0.00 0.00 58.87 58.31 1j3i n SER 22 Cb 0.04 -1.22 -0.03 0.00 -0.75 0.00 0.00 64.21 62.25 1j3i n SER 22 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1j3i s LYS 23 N 1.98 2.84 0.17 -1.46 -2.85 -1.26 -4.95 119.74 114.21 1j3i s LYS 23 Ca 0.89 0.80 -0.31 0.00 -1.00 0.00 0.00 55.97 56.35 1j3i s LYS 23 Cb -0.93 -4.32 -0.10 0.00 -2.06 0.00 0.00 37.83 30.42 1j3i s LYS 23 CO 0.53 -2.47 1.51 0.54 0.10 0.00 0.00 175.35 175.56 1j3i s ASN 24 N 7.37 6.64 -0.02 0.03 6.03 -1.26 -4.82 114.94 128.91 1j3i s ASN 24 Ca 0.69 2.58 0.02 0.00 -1.03 0.00 0.00 52.86 55.12 1j3i s ASN 24 Cb -0.15 -2.60 0.09 0.00 -3.03 0.00 0.00 41.25 35.56 1j3i s ASN 24 CO 0.24 -0.77 0.75 1.21 -2.03 0.00 0.00 177.10 176.51 1j3i n GLU 25 N 3.64 1.36 -2.80 3.55 2.13 -1.26 -3.91 120.64 123.35 1j3i n GLU 25 Ca 0.12 -0.33 -0.10 0.00 0.66 0.00 0.00 57.16 57.51 1j3i n GLU 25 Cb 0.39 -1.44 0.06 0.00 0.27 0.00 0.00 31.44 30.73 1j3i n GLU 25 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1j3i n GLY 26 N 0.22 0.95 0.45 8.31 0.00 -1.26 -4.94 105.19 108.92 1j3i n GLY 26 Ca 0.03 -0.22 0.26 0.00 0.00 0.00 0.00 46.02 46.09 1j3i n GLY 26 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1j3i h LYS 27 N 3.19 0.00 -6.39 1.61 3.64 -1.98 -3.35 116.57 113.29 1j3i h LYS 27 Ca -0.08 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.74 1j3i h LYS 27 Cb 1.07 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 1j3i h LYS 27 CO 0.22 0.00 1.17 0.21 -2.27 0.00 0.00 179.45 178.77 1j3i s LYS 28 N -4.76 3.39 -0.68 1.90 2.20 -1.26 -3.62 119.74 116.92 1j3i s LYS 28 Ca -0.04 1.03 -0.02 0.00 -0.36 0.00 0.00 55.97 56.57 1j3i s LYS 28 Cb 0.18 -4.12 -0.03 0.00 -1.51 0.00 0.00 37.83 32.35 1j3i s LYS 28 CO 0.65 -1.79 0.58 0.09 -0.36 0.00 0.00 175.35 174.52 1j3i n ASN 29 N 9.70 -3.91 -4.94 1.43 4.13 -1.26 -5.05 115.26 115.37 1j3i n ASN 29 Ca 0.19 -0.42 -0.24 0.00 1.68 0.00 0.00 54.58 55.79 1j3i n ASN 29 Cb 0.48 -3.38 0.00 0.00 -1.54 0.00 0.00 39.78 35.34 1j3i n ASN 29 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1j3i s GLU 30 N -4.19 3.27 -0.00 3.52 -1.05 -1.24 -5.08 118.70 113.93 1j3i s GLU 30 Ca 0.19 -0.34 -0.09 0.00 -0.15 0.00 0.00 54.97 54.57 1j3i s GLU 30 Cb -0.02 -2.57 -0.05 0.00 -0.44 0.00 0.00 34.13 31.05 1j3i s GLU 30 CO 0.45 -0.12 0.31 0.08 0.95 0.00 0.00 175.26 176.93 1j3i s VAL 31 N -2.50 5.23 0.14 1.83 1.01 -1.26 -5.10 120.40 119.74 1j3i s VAL 31 Ca 0.45 0.40 0.09 0.00 0.00 0.00 0.00 61.98 62.93 1j3i s VAL 31 Cb -0.10 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1j3i s VAL 31 CO 0.38 0.45 -0.22 -0.36 0.00 0.00 0.00 175.10 175.36 1j3i s PHE 32 N -1.21 1.96 0.31 5.22 0.08 -1.26 -5.02 117.98 118.06 1j3i s PHE 32 Ca 0.25 -0.42 -0.19 0.00 0.12 0.00 0.00 56.93 56.70 1j3i s PHE 32 Cb -0.14 -1.03 0.05 0.00 -0.57 0.00 0.00 43.02 41.33 1j3i s PHE 32 CO 0.13 0.31 0.82 0.54 -0.10 0.00 0.00 175.22 176.92 1j3i s ASN 33 N -2.25 -0.09 0.32 1.36 2.20 -1.26 -5.02 114.94 110.21 1j3i s ASN 33 Ca 0.12 -0.86 0.06 0.00 -0.94 0.00 0.00 52.86 51.24 1j3i s ASN 33 Cb -0.09 0.73 0.71 0.00 -2.00 0.00 0.00 41.25 40.61 1j3i s ASN 33 CO 0.06 -1.42 1.85 0.78 -2.94 0.00 0.00 177.10 175.43 1j3i h ASN 34 N 2.00 0.77 0.00 3.54 2.35 -2.00 0.80 115.58 123.04 1j3i h ASN 34 Ca -0.27 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1j3i h ASN 34 Cb 1.24 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.51 1j3i h ASN 34 CO 0.33 0.39 0.09 0.00 -1.65 0.00 0.00 177.43 176.59 1j3i n TYR 35 N -4.60 0.38 -0.17 1.19 9.36 -1.26 -0.72 117.16 121.34 1j3i n TYR 35 Ca 0.19 0.20 0.00 0.00 3.32 0.00 0.00 57.90 61.61 1j3i n TYR 35 Cb 0.44 -0.75 0.25 0.00 -0.63 0.00 0.00 39.34 38.65 1j3i n TYR 35 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 1j3i h THR 36 N 0.00 1.19 -2.96 2.97 2.02 -1.23 -3.33 112.91 111.57 1j3i h THR 36 Ca 0.00 -0.44 -0.72 0.00 0.77 0.00 0.00 66.41 66.02 1j3i h THR 36 Cb 0.18 0.27 -0.21 0.00 -1.74 0.00 0.00 68.15 66.65 1j3i h THR 36 CO 0.00 0.20 0.01 -0.36 0.37 0.00 0.00 175.52 175.75 1j3i s PHE 37 N -5.66 3.07 0.00 3.16 0.08 0.10 -4.20 117.98 114.54 1j3i s PHE 37 Ca -0.10 -1.05 0.00 0.00 0.12 0.00 0.00 56.93 55.90 1j3i s PHE 37 Cb 0.17 -3.94 0.00 0.00 -0.57 0.00 0.00 43.02 38.68 1j3i s PHE 37 CO 0.78 -1.21 0.00 2.89 -0.10 0.00 0.00 175.22 177.58 1j3i n ARG 38 N 6.01 0.00 -2.18 0.44 1.85 -0.66 -4.84 116.66 117.28 1j3i n ARG 38 Ca -0.11 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.31 1j3i n ARG 38 Cb 0.42 -0.30 -0.02 0.00 -1.05 0.00 0.00 32.46 31.50 1j3i n ARG 38 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1j3i s GLY 39 N 0.00 1.19 -0.23 2.89 0.00 -0.49 -1.83 107.32 108.86 1j3i s GLY 39 Ca 0.00 0.31 -0.16 0.00 0.00 0.00 0.00 44.72 44.87 1j3i s GLY 39 CO 0.00 2.93 -0.19 1.04 0.00 0.00 0.00 173.10 176.89 1j3i n LEU 40 N 8.54 1.91 0.00 0.66 4.77 -0.86 -1.90 117.00 130.12 1j3i n LEU 40 Ca 0.18 0.40 -0.14 0.00 -0.03 0.00 0.00 56.01 56.42 1j3i n LEU 40 Cb 0.46 -0.85 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 1j3i n LEU 40 CO 0.65 0.21 0.18 0.61 -1.33 0.00 0.00 177.39 177.72 1j3i n GLY 41 N 1.38 2.07 3.61 -0.72 0.00 -1.19 -4.40 105.19 105.94 1j3i n GLY 41 Ca -0.35 -1.58 -0.01 0.00 0.00 0.00 0.00 46.02 44.08 1j3i n GLY 41 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j3i s ASN 42 N -3.07 -1.12 -1.46 1.61 2.47 0.11 -1.32 114.94 112.16 1j3i s ASN 42 Ca 0.27 1.49 -0.12 0.00 0.42 0.00 0.00 52.86 54.92 1j3i s ASN 42 Cb -0.01 2.26 0.05 0.00 -1.45 0.00 0.00 41.25 42.10 1j3i s ASN 42 CO 0.19 -0.21 1.06 0.29 -3.72 0.00 0.00 177.10 174.71 1j3i n LYS 43 N 5.42 -6.52 -0.48 0.43 5.02 -1.26 -1.93 118.16 118.84 1j3i n LYS 43 Ca -0.11 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 1j3i n LYS 43 Cb 0.49 -5.66 0.00 0.00 -0.02 0.00 0.00 35.03 29.85 1j3i n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j3i n GLY 44 N -1.82 1.53 2.53 0.72 0.00 -1.26 -5.02 105.19 101.87 1j3i n GLY 44 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1j3i n GLY 44 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1j3i n VAL 45 N -2.00 0.00 -2.42 1.61 0.24 -0.82 -4.68 118.33 110.26 1j3i n VAL 45 Ca 0.00 -1.82 -0.41 0.00 -2.04 0.00 0.00 64.34 60.08 1j3i n VAL 45 Cb 0.00 0.70 -0.04 0.00 -1.47 0.00 0.00 33.84 33.03 1j3i n VAL 45 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1j3i s LEU 46 N 0.00 4.50 0.46 1.34 1.43 -1.26 0.08 118.68 125.23 1j3i s LEU 46 Ca 0.19 2.27 0.15 0.00 -1.03 0.00 0.00 54.13 55.70 1j3i s LEU 46 Cb 0.01 -3.62 1.10 0.00 0.03 0.00 0.00 46.19 43.71 1j3i s LEU 46 CO 0.13 -0.27 2.03 -0.65 0.23 0.00 0.00 176.35 177.83 1j3i h PRO 47 N 4.47 0.28 -0.20 1.29 0.11 -1.83 -1.57 132.00 134.56 1j3i h PRO 47 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1j3i h PRO 47 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1j3i h PRO 47 CO 0.70 0.19 0.00 -2.67 -0.21 0.00 0.00 178.00 176.01 1j3i n TRP 48 N -4.47 0.24 0.00 0.65 2.14 -1.26 -4.74 117.44 110.00 1j3i n TRP 48 Ca 0.06 -0.12 0.00 0.00 2.07 0.00 0.00 57.50 59.51 1j3i n TRP 48 Cb 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.78 1j3i n TRP 48 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 1j3i n LYS 49 N 1.00 0.00 -3.81 -2.67 5.02 -0.59 -4.71 118.16 112.40 1j3i n LYS 49 Ca 0.17 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.34 1j3i n LYS 49 Cb 0.50 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.42 1j3i n LYS 49 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j3i s ASN 51 N -1.15 2.30 0.34 0.00 3.84 -1.26 -4.93 114.94 114.08 1j3i s ASN 51 Ca -0.12 -0.71 0.02 0.00 0.21 0.00 0.00 52.86 52.26 1j3i s ASN 51 Cb -0.06 0.01 0.60 0.00 -0.55 0.00 0.00 41.25 41.25 1j3i s ASN 51 CO 0.03 -0.37 1.97 0.77 -2.79 0.00 0.00 177.10 176.70 1j3i h SER 52 N 8.37 0.70 -0.29 -4.21 4.64 -1.99 -2.31 113.55 118.46 1j3i h SER 52 Ca -0.17 -0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.04 1j3i h SER 52 Cb 1.10 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1j3i h SER 52 CO 0.33 0.56 -0.09 0.25 -0.87 0.00 0.00 176.83 177.02 1j3i h LEU 53 N 0.80 0.58 -1.05 5.97 5.85 -1.95 -0.11 115.31 125.40 1j3i h LEU 53 Ca 0.21 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 1j3i h LEU 53 Cb 0.01 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1j3i h LEU 53 CO -0.04 0.83 0.07 -0.78 -0.34 0.00 0.00 178.44 178.18 1j3i h ASP 54 N 0.33 0.70 -0.42 1.25 3.58 -1.96 -0.59 116.42 119.31 1j3i h ASP 54 Ca 0.07 -0.14 -0.06 0.00 0.42 0.00 0.00 57.03 57.32 1j3i h ASP 54 Cb 0.58 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 1j3i h ASP 54 CO 0.03 0.73 0.03 -0.03 -2.88 0.00 0.00 179.24 177.12 1j3i h MET 55 N 0.71 0.73 -0.76 0.28 4.05 -1.26 0.16 114.93 118.84 1j3i h MET 55 Ca 0.15 -0.22 -0.05 0.00 -0.28 0.00 0.00 59.70 59.30 1j3i h MET 55 Cb 0.34 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 1j3i h MET 55 CO 0.01 0.79 0.27 -0.22 0.23 0.00 0.00 176.91 177.98 1j3i h LYS 56 N 0.57 1.16 -0.25 0.39 3.64 -0.64 -0.45 116.57 120.98 1j3i h LYS 56 Ca 0.12 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 1j3i h LYS 56 Cb 0.44 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1j3i h LYS 56 CO 0.02 0.96 -0.06 -0.92 -2.27 0.00 0.00 179.45 177.18 1j3i h TYR 57 N 1.11 0.54 -0.93 1.91 3.20 -0.76 -0.62 116.97 121.42 1j3i h TYR 57 Ca 0.25 -0.12 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1j3i h TYR 57 Cb 0.27 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.35 1j3i h TYR 57 CO 0.02 0.70 0.61 0.35 -1.64 0.00 0.00 178.16 178.20 1j3i h PHE 58 N 0.23 1.16 -0.29 -3.82 3.57 -0.47 -0.16 116.94 117.15 1j3i h PHE 58 Ca 0.06 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 1j3i h PHE 58 Cb 0.52 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1j3i h PHE 58 CO 0.05 0.70 -0.18 0.00 -2.23 0.00 0.00 178.31 176.65 1j3i h ALA 60 N 0.74 0.38 -0.16 0.00 0.00 -0.68 -1.82 119.26 117.72 1j3i h ALA 60 Ca 0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1j3i h ALA 60 Cb 0.71 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1j3i h ALA 60 CO 0.05 -0.08 -0.08 0.28 0.00 0.00 0.00 179.25 179.42 1j3i h VAL 61 N 0.35 1.32 0.00 0.00 2.07 -1.04 -1.61 116.25 117.34 1j3i h VAL 61 Ca 0.10 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1j3i h VAL 61 Cb 0.08 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1j3i h VAL 61 CO -0.02 0.34 0.00 0.35 0.02 0.00 0.00 177.57 178.26 1j3i n THR 62 N -4.62 0.57 0.08 2.57 -2.24 -0.44 -3.16 114.28 107.05 1j3i n THR 62 Ca -0.06 0.10 0.07 0.00 -2.27 0.00 0.00 64.05 61.90 1j3i n THR 62 Cb 0.31 -0.79 -0.11 0.00 -2.10 0.00 0.00 70.33 67.63 1j3i n THR 62 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j3i n THR 63 N -1.67 0.00 -1.89 4.28 -2.24 -0.69 -4.62 114.28 107.45 1j3i n THR 63 Ca 0.05 -0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 1j3i n THR 63 Cb 0.27 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 1j3i n THR 63 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1j3i s TYR 64 N -2.95 2.89 0.02 4.78 5.04 -0.61 -4.78 117.35 121.75 1j3i s TYR 64 Ca -0.04 0.50 0.02 0.00 -2.44 0.00 0.00 57.07 55.12 1j3i s TYR 64 Cb 0.10 -3.98 -0.01 0.00 0.35 0.00 0.00 41.96 38.42 1j3i s TYR 64 CO 0.62 -3.69 -0.08 0.08 -1.34 0.00 0.00 175.55 171.14 1j3i s VAL 65 N 1.47 0.58 -0.33 3.14 1.01 -1.26 -4.89 120.40 120.12 1j3i s VAL 65 Ca 0.72 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1j3i s VAL 65 Cb -0.44 -0.56 0.10 0.00 0.00 0.00 0.00 36.38 35.48 1j3i s VAL 65 CO 0.32 -0.09 0.07 0.21 0.00 0.00 0.00 175.10 175.60 1j3i s ASN 66 N -0.86 4.48 0.31 3.32 3.84 -1.26 -5.01 114.94 119.76 1j3i s ASN 66 Ca -0.03 -1.97 0.03 0.00 0.21 0.00 0.00 52.86 51.10 1j3i s ASN 66 Cb -0.06 -1.34 0.61 0.00 -0.55 0.00 0.00 41.25 39.91 1j3i s ASN 66 CO 0.00 -0.39 1.89 -0.33 -2.79 0.00 0.00 177.10 175.48 1j3i h GLU 67 N 7.78 0.91 0.00 0.43 5.08 -1.99 -2.05 114.58 124.73 1j3i h GLU 67 Ca -0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1j3i h GLU 67 Cb 1.02 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1j3i h GLU 67 CO 0.50 0.60 0.00 -1.13 -1.00 0.00 0.00 179.01 177.98 1j3i n SER 68 N -4.53 0.64 0.00 1.42 3.41 -1.26 -1.97 113.62 111.33 1j3i n SER 68 Ca 0.16 0.71 0.11 0.00 -0.26 0.00 0.00 58.87 59.58 1j3i n SER 68 Cb 0.29 -0.83 -0.01 0.00 -0.26 0.00 0.00 64.21 63.40 1j3i n SER 68 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1j3i n LYS 69 N -2.26 0.03 0.04 4.33 5.02 -0.78 -4.52 118.16 120.02 1j3i n LYS 69 Ca 0.01 -0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1j3i n LYS 69 Cb 0.15 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.59 1j3i n LYS 69 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1j3i h TYR 70 N 0.00 -0.01 -0.76 2.13 3.20 -1.38 -3.19 116.97 116.96 1j3i h TYR 70 Ca 0.00 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.03 1j3i h TYR 70 Cb 0.52 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 38.66 1j3i h TYR 70 CO 0.00 0.03 -0.12 0.93 -1.64 0.00 0.00 178.16 177.36 1j3i h GLU 71 N -0.06 0.03 -0.93 1.82 5.08 -1.79 0.72 114.58 119.45 1j3i h GLU 71 Ca -0.00 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1j3i h GLU 71 Cb 0.05 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 1j3i h GLU 71 CO 0.00 0.02 0.60 -0.22 -1.00 0.00 0.00 179.01 178.41 1j3i h LYS 72 N 0.03 0.95 -0.06 2.33 3.64 -1.85 1.00 116.57 122.61 1j3i h LYS 72 Ca 0.38 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.50 1j3i h LYS 72 Cb 0.63 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1j3i h LYS 72 CO -0.75 0.63 -0.81 -0.07 -2.27 0.00 0.00 179.45 176.18 1j3i h LEU 73 N 0.98 0.57 -0.10 5.20 3.38 0.18 -2.00 115.31 123.51 1j3i h LEU 73 Ca 0.42 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1j3i h LEU 73 Cb 0.34 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1j3i h LEU 73 CO -0.18 1.17 0.05 0.50 0.09 0.00 0.00 178.44 180.06 1j3i h LYS 74 N 0.30 0.14 -0.06 1.13 3.64 0.11 -1.17 116.57 120.66 1j3i h LYS 74 Ca -0.05 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1j3i h LYS 74 Cb 1.42 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1j3i h LYS 74 CO 0.14 0.22 0.00 -0.92 -2.27 0.00 0.00 179.45 176.63 1j3i h TYR 75 N 0.03 0.00 -0.34 1.91 3.20 -0.87 -0.11 116.97 120.79 1j3i h TYR 75 Ca 0.03 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.98 1j3i h TYR 75 Cb 0.13 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.34 1j3i h TYR 75 CO -0.03 -0.00 -0.10 -0.22 -1.64 0.00 0.00 178.16 176.17 1j3i h LYS 76 N 0.02 -0.02 -0.56 1.82 3.64 -1.16 0.21 116.57 120.53 1j3i h LYS 76 Ca 0.03 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 1j3i h LYS 76 Cb 0.03 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1j3i h LYS 76 CO -0.04 -0.01 -0.10 0.00 -2.27 0.00 0.00 179.45 177.03 1j3i h ARG 77 N -0.02 1.05 0.57 1.90 3.08 -1.02 -1.78 114.38 118.16 1j3i h ARG 77 Ca 0.17 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 1j3i h ARG 77 Cb 0.27 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.26 1j3i h ARG 77 CO -0.36 1.08 -0.27 0.00 -1.07 0.00 0.00 179.97 179.34 1j3i h LYS 79 N -0.84 0.56 0.00 0.00 3.64 -0.56 0.28 116.57 119.65 1j3i h LYS 79 Ca -0.08 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 1j3i h LYS 79 Cb 0.62 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1j3i h LYS 79 CO 0.13 0.37 -0.22 -0.92 -2.27 0.00 0.00 179.45 176.54 1j3i h TYR 80 N 0.58 0.00 -0.65 1.91 3.20 -1.00 -2.72 116.97 118.30 1j3i h TYR 80 Ca 0.55 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.42 1j3i h TYR 80 Cb 0.92 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.19 1j3i h TYR 80 CO -0.07 0.22 0.00 1.28 -1.64 0.00 0.00 178.16 177.94 1j3i n LEU 81 N -3.98 3.76 -0.48 2.82 4.77 0.84 -4.93 117.00 119.80 1j3i n LEU 81 Ca -0.02 -1.97 -0.06 0.00 -0.03 0.00 0.00 56.01 53.93 1j3i n LEU 81 Cb 0.30 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1j3i n LEU 81 CO 0.35 0.93 -0.06 0.59 -1.33 0.00 0.00 177.39 177.87 1j3i n ASN 82 N 1.45 -5.13 -4.96 -1.43 3.02 -0.38 -4.97 115.26 102.86 1j3i n ASN 82 Ca 0.22 0.16 -0.22 0.00 -0.03 0.00 0.00 54.58 54.71 1j3i n ASN 82 Cb 0.59 -3.19 0.02 0.00 -0.61 0.00 0.00 39.78 36.59 1j3i n ASN 82 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1j3i s LYS 83 N -2.24 2.36 -0.15 3.52 -0.14 -0.63 -4.99 119.74 117.47 1j3i s LYS 83 Ca 0.00 -1.73 -0.34 0.00 -1.36 0.00 0.00 55.97 52.54 1j3i s LYS 83 Cb 0.00 -2.42 0.14 0.00 -1.68 0.00 0.00 37.83 33.87 1j3i s LYS 83 CO 0.00 -0.63 1.29 -1.83 -0.76 0.00 0.00 175.35 173.42 1j3i s GLU 84 N -4.43 0.24 0.16 1.68 1.03 -1.26 -3.56 118.70 112.56 1j3i s GLU 84 Ca 0.49 -0.11 0.01 0.00 0.03 0.00 0.00 54.97 55.39 1j3i s GLU 84 Cb -0.04 0.10 0.03 0.00 -0.80 0.00 0.00 34.13 33.41 1j3i s GLU 84 CO 0.31 -0.11 0.21 2.41 -1.33 0.00 0.00 175.26 176.75 1j3i n THR 85 N -0.23 0.00 0.00 1.83 -1.04 -1.26 -5.13 114.28 108.45 1j3i n THR 85 Ca -0.02 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 1j3i n THR 85 Cb 0.60 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 1j3i n THR 85 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1j3i n LYS 96 N -1.38 0.00 -2.80 -2.82 4.01 -1.26 -5.22 118.16 108.69 1j3i n LYS 96 Ca 0.04 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.44 1j3i n LYS 96 Cb 0.14 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.60 1j3i n LYS 96 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1j3i s LYS 97 N 0.00 4.77 0.34 1.97 2.20 -1.26 -5.00 119.74 122.76 1j3i s LYS 97 Ca 0.00 1.40 -0.29 0.00 -0.36 0.00 0.00 55.97 56.72 1j3i s LYS 97 Cb 0.00 -3.24 -0.11 0.00 -1.51 0.00 0.00 37.83 32.97 1j3i s LYS 97 CO 0.00 0.51 1.55 -0.11 -0.36 0.00 0.00 175.35 176.94 1j3i n LEU 98 N 1.43 4.60 -4.12 5.43 7.94 -1.26 -5.00 117.00 126.03 1j3i n LEU 98 Ca -0.02 1.19 -0.09 0.00 -1.11 0.00 0.00 56.01 55.97 1j3i n LEU 98 Cb 0.48 -1.61 -0.10 0.00 0.53 0.00 0.00 43.42 42.72 1j3i n LEU 98 CO 0.49 0.17 -0.27 -1.10 -1.11 0.00 0.00 177.39 175.57 1j3i s GLN 99 N -1.28 0.91 0.47 1.96 -0.21 -1.26 -4.93 119.66 115.31 1j3i s GLN 99 Ca 0.59 -1.38 0.03 0.00 0.02 0.00 0.00 55.36 54.62 1j3i s GLN 99 Cb -0.48 0.25 0.01 0.00 1.00 0.00 0.00 33.01 33.79 1j3i s GLN 99 CO 0.56 -0.26 0.66 -0.80 -2.12 0.00 0.00 175.29 173.33 1j3i s ASN 100 N -3.02 5.61 -0.05 5.90 0.01 -1.26 -1.07 114.94 121.06 1j3i s ASN 100 Ca 0.21 -0.03 0.03 0.00 -0.71 0.00 0.00 52.86 52.36 1j3i s ASN 100 Cb 0.07 -1.08 -0.03 0.00 0.41 0.00 0.00 41.25 40.63 1j3i s ASN 100 CO -0.00 -0.84 -0.12 -0.69 -1.51 0.00 0.00 177.10 173.94 1j3i s VAL 101 N -2.54 3.25 -0.08 1.60 1.01 0.37 -1.14 120.40 122.87 1j3i s VAL 101 Ca 0.52 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1j3i s VAL 101 Cb -0.10 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.99 1j3i s VAL 101 CO 0.36 0.57 -0.18 0.68 0.00 0.00 0.00 175.10 176.53 1j3i s VAL 102 N -0.78 1.56 -0.14 2.92 -7.23 -0.27 -0.53 120.40 115.94 1j3i s VAL 102 Ca 0.12 -0.73 0.01 0.00 -1.81 0.00 0.00 61.98 59.57 1j3i s VAL 102 Cb -0.11 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.46 1j3i s VAL 102 CO 0.01 0.45 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.38 1j3i s VAL 103 N 0.47 2.44 0.12 1.32 1.01 0.21 -0.76 120.40 125.21 1j3i s VAL 103 Ca -0.16 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 1j3i s VAL 103 Cb -0.16 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1j3i s VAL 103 CO 0.06 0.53 0.02 0.00 0.00 0.00 0.00 175.10 175.71 1j3i s MET 104 N 0.69 0.89 0.48 2.72 0.23 -0.52 -0.39 119.30 123.40 1j3i s MET 104 Ca -0.09 -1.40 -0.06 0.00 -1.03 0.00 0.00 55.69 53.11 1j3i s MET 104 Cb -0.16 0.12 -0.04 0.00 -1.53 0.00 0.00 34.83 33.23 1j3i s MET 104 CO 0.01 -0.19 0.80 0.20 -2.03 0.00 0.00 175.02 173.82 1j3i s GLY 105 N -3.04 1.57 0.22 3.16 0.00 -0.38 -1.04 107.32 107.80 1j3i s GLY 105 Ca 0.20 -0.43 -0.08 0.00 0.00 0.00 0.00 44.72 44.41 1j3i s GLY 105 CO -0.01 -0.26 1.74 -0.09 0.00 0.00 0.00 173.10 174.48 1j3i h ARG 106 N 0.31 0.40 -0.94 2.90 2.43 -1.65 -0.70 114.38 117.14 1j3i h ARG 106 Ca -0.47 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1j3i h ARG 106 Cb 1.20 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.61 1j3i h ARG 106 CO 0.62 0.27 0.58 1.15 -1.51 0.00 0.00 179.97 181.07 1j3i h THR 107 N 0.42 1.25 -0.61 0.20 2.02 -1.94 -2.15 112.91 112.11 1j3i h THR 107 Ca 0.35 -0.53 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 1j3i h THR 107 Cb 0.47 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 1j3i h THR 107 CO -0.35 0.26 0.07 0.28 0.37 0.00 0.00 175.52 176.15 1j3i h SER 108 N 1.28 1.00 -0.82 4.18 0.02 -1.56 -2.17 113.55 115.48 1j3i h SER 108 Ca 0.34 -0.28 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1j3i h SER 108 Cb -0.08 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.15 1j3i h SER 108 CO -0.07 1.02 0.53 -0.25 -1.14 0.00 0.00 176.83 176.92 1j3i h TRP 109 N 0.94 0.99 0.00 3.45 2.91 -0.78 -1.41 115.95 122.04 1j3i h TRP 109 Ca 0.18 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.23 1j3i h TRP 109 Cb 0.47 -0.33 0.00 0.00 -0.51 0.00 0.00 29.16 28.79 1j3i h TRP 109 CO 0.03 0.57 0.00 0.93 -1.03 0.00 0.00 178.44 178.94 1j3i h GLU 110 N 1.03 0.00 0.00 2.65 5.08 -1.07 -2.90 114.58 119.37 1j3i h GLU 110 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1j3i h GLU 110 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1j3i h GLU 110 CO -0.11 0.00 -0.21 -1.13 -1.00 0.00 0.00 179.01 176.55 1j3i n SER 111 N -2.61 0.33 -4.75 1.42 3.41 -0.54 -4.82 113.62 106.07 1j3i n SER 111 Ca 0.02 0.25 -0.40 0.00 -0.26 0.00 0.00 58.87 58.49 1j3i n SER 111 Cb 0.32 -0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 63.97 1j3i n SER 111 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1j3i s ILE 112 N -3.03 4.74 0.29 -1.33 1.01 -1.10 -5.02 121.20 116.77 1j3i s ILE 112 Ca 0.12 1.60 -0.30 0.00 0.00 0.00 0.00 60.65 62.07 1j3i s ILE 112 Cb 0.17 -4.10 -0.11 0.00 0.01 0.00 0.00 42.46 38.43 1j3i s ILE 112 CO 0.61 0.37 1.48 -2.84 0.00 0.00 0.00 174.94 174.56 1j3i s PRO 113 N -0.06 4.21 0.24 2.79 0.02 -1.26 -4.89 135.00 136.06 1j3i s PRO 113 Ca 0.38 2.41 -0.01 0.00 0.02 0.00 0.00 61.00 63.80 1j3i s PRO 113 Cb -0.20 -3.06 0.54 0.00 0.02 0.00 0.00 34.50 31.80 1j3i s PRO 113 CO 0.23 -0.48 1.26 1.17 -0.33 0.00 0.00 177.00 178.85 1j3i n LYS 114 N 1.88 -0.07 0.00 5.54 4.81 -1.26 -0.49 118.16 128.57 1j3i n LYS 114 Ca 0.06 1.22 0.02 0.00 -0.87 0.00 0.00 58.31 58.73 1j3i n LYS 114 Cb 0.39 -1.90 0.08 0.00 0.02 0.00 0.00 35.03 33.63 1j3i n LYS 114 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1j3i n LYS 115 N -5.19 0.01 0.00 1.64 2.85 -1.26 -1.97 118.16 114.24 1j3i n LYS 115 Ca 0.17 0.41 0.07 0.00 -1.05 0.00 0.00 58.31 57.91 1j3i n LYS 115 Cb 0.55 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.42 1j3i n LYS 115 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1j3i n PHE 116 N -1.48 0.00 -3.98 5.58 3.72 0.36 -4.98 117.46 116.68 1j3i n PHE 116 Ca 0.01 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.06 1j3i n PHE 116 Cb 0.04 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.50 1j3i n PHE 116 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1j3i s LYS 117 N -1.75 3.67 0.57 -1.08 1.02 -0.83 -2.36 119.74 118.97 1j3i s LYS 117 Ca 0.11 -0.26 -0.16 0.00 0.02 0.00 0.00 55.97 55.68 1j3i s LYS 117 Cb 0.11 -3.17 -0.05 0.00 -0.52 0.00 0.00 37.83 34.20 1j3i s LYS 117 CO 0.37 0.52 1.02 -1.25 -0.92 0.00 0.00 175.35 175.09 1j3i s PRO 118 N -0.31 3.59 0.10 -1.68 0.04 -1.26 -5.00 135.00 130.48 1j3i s PRO 118 Ca 0.10 1.05 -0.34 0.00 0.04 0.00 0.00 61.00 61.84 1j3i s PRO 118 Cb -0.12 -2.08 -0.14 0.00 0.04 0.00 0.00 34.50 32.20 1j3i s PRO 118 CO 0.01 -0.57 1.60 1.28 0.04 0.00 0.00 177.00 179.36 1j3i n LEU 119 N -1.94 2.96 -4.76 -3.56 4.77 -0.99 -4.87 117.00 108.60 1j3i n LEU 119 Ca 0.08 1.07 -0.40 0.00 -0.03 0.00 0.00 56.01 56.73 1j3i n LEU 119 Cb 0.53 -1.38 0.02 0.00 -2.33 0.00 0.00 43.42 40.26 1j3i n LEU 119 CO 0.48 -0.35 1.06 -0.94 -1.33 0.00 0.00 177.39 176.31 1j3i s SER 120 N 1.44 5.79 -1.82 -1.43 1.04 -1.26 -3.20 113.70 114.27 1j3i s SER 120 Ca 0.82 2.90 0.00 0.00 0.48 0.00 0.00 55.95 60.16 1j3i s SER 120 Cb -0.72 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 62.74 1j3i s SER 120 CO 0.42 -1.23 0.00 0.59 0.98 0.00 0.00 173.24 173.99 1j3i n ASN 121 N -0.31 -5.07 -3.93 7.02 4.13 -1.26 -4.95 115.26 110.89 1j3i n ASN 121 Ca 0.06 0.29 -0.10 0.00 1.68 0.00 0.00 54.58 56.51 1j3i n ASN 121 Cb 0.42 -4.41 -0.12 0.00 -1.54 0.00 0.00 39.78 34.13 1j3i n ASN 121 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1j3i s ARG 122 N -4.15 0.17 -0.43 3.52 0.52 -1.19 -4.36 118.95 113.03 1j3i s ARG 122 Ca 0.00 -0.32 -0.27 0.00 -0.52 0.00 0.00 55.73 54.61 1j3i s ARG 122 Cb 0.00 0.05 0.02 0.00 0.52 0.00 0.00 34.95 35.54 1j3i s ARG 122 CO 0.00 -0.02 1.03 0.42 0.02 0.00 0.00 175.30 176.75 1j3i s ILE 123 N -0.77 4.39 -0.00 1.52 1.01 -0.29 -4.76 121.20 122.29 1j3i s ILE 123 Ca -0.08 1.18 -0.24 0.00 0.00 0.00 0.00 60.65 61.50 1j3i s ILE 123 Cb -0.05 -4.48 -0.05 0.00 0.01 0.00 0.00 42.46 37.89 1j3i s ILE 123 CO -0.01 -0.79 0.75 0.20 0.00 0.00 0.00 174.94 175.09 1j3i s ASN 124 N 2.17 7.13 -0.06 3.58 0.02 -1.26 -1.11 114.94 125.41 1j3i s ASN 124 Ca 0.43 1.35 0.03 0.00 -1.02 0.00 0.00 52.86 53.65 1j3i s ASN 124 Cb -0.10 -2.45 0.01 0.00 0.02 0.00 0.00 41.25 38.73 1j3i s ASN 124 CO 0.25 -0.05 -0.14 -0.69 0.02 0.00 0.00 177.10 176.50 1j3i s VAL 125 N 0.33 1.20 -0.07 1.60 1.01 0.06 -1.77 120.40 122.76 1j3i s VAL 125 Ca 0.39 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1j3i s VAL 125 Cb -0.19 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 1j3i s VAL 125 CO 0.21 0.36 -0.21 -0.63 0.00 0.00 0.00 175.10 174.84 1j3i s ILE 126 N 0.44 1.77 -0.14 2.22 1.01 -0.10 -1.43 121.20 124.97 1j3i s ILE 126 Ca -0.11 -0.88 -0.17 0.00 0.00 0.00 0.00 60.65 59.50 1j3i s ILE 126 Cb -0.14 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1j3i s ILE 126 CO 0.03 0.50 0.43 -0.76 0.00 0.00 0.00 174.94 175.14 1j3i s LEU 127 N 0.21 4.26 -0.08 2.97 1.43 -0.21 -1.24 118.68 126.02 1j3i s LEU 127 Ca -0.11 0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 53.40 1j3i s LEU 127 Cb -0.15 -2.61 0.09 0.00 0.03 0.00 0.00 46.19 43.55 1j3i s LEU 127 CO 0.05 0.01 0.81 -0.55 0.23 0.00 0.00 176.35 176.91 1j3i s SER 128 N 0.63 -0.52 -0.05 2.29 0.15 -0.44 -1.54 113.70 114.21 1j3i s SER 128 Ca 0.23 0.51 -0.00 0.00 0.70 0.00 0.00 55.95 57.39 1j3i s SER 128 Cb -0.15 0.44 -0.03 0.00 -1.71 0.00 0.00 66.02 64.57 1j3i s SER 128 CO 0.09 -0.52 -0.05 0.54 1.20 0.00 0.00 173.24 174.49 1j3i n ARG 129 N 0.70 0.12 0.23 5.44 1.74 -1.26 -3.82 116.66 119.81 1j3i n ARG 129 Ca -0.15 0.03 0.13 0.00 -0.77 0.00 0.00 57.85 57.09 1j3i n ARG 129 Cb 0.58 -1.04 0.42 0.00 -1.02 0.00 0.00 32.46 31.39 1j3i n ARG 129 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1j3i h THR 130 N -0.03 0.21 -3.44 0.55 1.35 -2.00 -3.45 112.91 106.11 1j3i h THR 130 Ca -0.12 -0.96 -0.67 0.00 -0.55 0.00 0.00 66.41 64.12 1j3i h THR 130 Cb 1.17 1.80 -0.19 0.00 -1.73 0.00 0.00 68.15 69.20 1j3i h THR 130 CO -0.03 0.10 -0.83 -0.76 -0.25 0.00 0.00 175.52 173.75 1j3i s LEU 131 N -6.36 2.46 0.37 3.87 1.43 -1.26 -5.13 118.68 114.05 1j3i s LEU 131 Ca 0.03 -0.79 0.04 0.00 -1.03 0.00 0.00 54.13 52.38 1j3i s LEU 131 Cb 0.08 -1.25 -0.05 0.00 0.03 0.00 0.00 46.19 45.00 1j3i s LEU 131 CO 0.62 0.14 0.07 -0.54 0.23 0.00 0.00 176.35 176.87 1j3i s LYS 132 N -2.46 1.78 0.55 1.70 1.02 -1.26 -4.78 119.74 116.30 1j3i s LYS 132 Ca 0.19 -2.03 0.28 0.00 0.02 0.00 0.00 55.97 54.42 1j3i s LYS 132 Cb -0.09 -0.92 1.46 0.00 -0.52 0.00 0.00 37.83 37.77 1j3i s LYS 132 CO 0.09 -0.26 1.96 1.57 -0.92 0.00 0.00 175.35 177.79 1j3i h LYS 133 N 1.95 0.00 0.00 1.68 2.10 -1.94 0.31 116.57 120.67 1j3i h LYS 133 Ca -0.40 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.22 1j3i h LYS 133 Cb 1.26 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1j3i h LYS 133 CO 0.68 0.00 -0.13 0.93 -2.00 0.00 0.00 179.45 178.93 1j3i h GLU 134 N 0.00 0.00 -0.00 0.07 3.07 -2.02 -2.44 114.58 113.26 1j3i h GLU 134 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 1j3i h GLU 134 Cb 1.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1j3i h GLU 134 CO -0.00 0.13 -0.04 -0.25 -1.40 0.00 0.00 179.01 177.44 1j3i n ASP 135 N -3.47 0.49 -4.35 1.42 8.00 0.10 -4.81 116.55 113.94 1j3i n ASP 135 Ca -0.01 -0.87 -0.32 0.00 0.71 0.00 0.00 54.79 54.30 1j3i n ASP 135 Cb 0.29 -0.05 -0.15 0.00 -0.02 0.00 0.00 41.12 41.19 1j3i n ASP 135 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1j3i s PHE 136 N -2.23 2.48 -0.14 1.24 0.40 -0.92 -5.00 117.98 113.82 1j3i s PHE 136 Ca 0.37 -0.44 0.20 0.00 -0.60 0.00 0.00 56.93 56.45 1j3i s PHE 136 Cb 0.21 -1.57 -0.17 0.00 0.51 0.00 0.00 43.02 41.99 1j3i s PHE 136 CO 0.41 -0.03 0.68 -3.47 0.70 0.00 0.00 175.22 173.51 1j3i n ASP 137 N 2.58 0.52 -4.80 1.36 2.03 -1.26 -4.99 116.55 112.00 1j3i n ASP 137 Ca -0.17 0.22 -0.32 0.00 0.52 0.00 0.00 54.79 55.04 1j3i n ASP 137 Cb 0.52 0.80 0.04 0.00 -0.72 0.00 0.00 41.12 41.76 1j3i n ASP 137 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1j3i s GLU 138 N -3.11 2.94 -0.99 -0.67 8.01 -1.26 -4.96 118.70 118.66 1j3i s GLU 138 Ca -0.05 1.16 -0.23 0.00 0.01 0.00 0.00 54.97 55.86 1j3i s GLU 138 Cb 0.10 -1.98 0.02 0.00 -4.31 0.00 0.00 34.13 27.95 1j3i s GLU 138 CO 0.83 -1.11 1.61 0.34 0.01 0.00 0.00 175.26 176.94 1j3i s ASP 139 N -3.13 6.08 0.13 -0.19 -1.08 -1.26 -4.88 116.67 112.34 1j3i s ASP 139 Ca 0.62 -1.23 -0.10 0.00 -0.52 0.00 0.00 52.55 51.32 1j3i s ASP 139 Cb -0.16 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 1j3i s ASP 139 CO 0.46 -1.89 0.27 0.68 0.52 0.00 0.00 175.17 175.21 1j3i s VAL 140 N 6.56 0.10 -0.12 1.11 -7.23 -1.26 -4.68 120.40 114.87 1j3i s VAL 140 Ca 0.54 -1.15 -0.03 0.00 -1.81 0.00 0.00 61.98 59.52 1j3i s VAL 140 Cb -0.02 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 1j3i s VAL 140 CO -0.07 -0.45 -0.02 -0.31 -0.31 0.00 0.00 175.10 173.94 1j3i s TYR 141 N -3.89 3.07 -0.09 2.82 1.51 -0.73 -5.03 117.35 115.01 1j3i s TYR 141 Ca 0.09 -0.07 -0.00 0.00 -1.01 0.00 0.00 57.07 56.08 1j3i s TYR 141 Cb 0.04 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.98 1j3i s TYR 141 CO -0.07 0.19 -0.07 0.42 -1.11 0.00 0.00 175.55 174.91 1j3i s ILE 142 N -0.18 3.67 0.00 2.71 -1.09 -1.26 -0.92 121.20 124.13 1j3i s ILE 142 Ca 0.04 -0.48 0.01 0.00 -2.23 0.00 0.00 60.65 57.99 1j3i s ILE 142 Cb -0.13 -2.52 -0.01 0.00 -1.58 0.00 0.00 42.46 38.22 1j3i s ILE 142 CO 0.02 0.57 -0.03 0.27 -1.23 0.00 0.00 174.94 174.54 1j3i s ILE 143 N -0.48 0.25 -1.00 2.92 -4.36 -0.37 -4.95 121.20 113.23 1j3i s ILE 143 Ca 0.07 -0.29 0.14 0.00 -0.26 0.00 0.00 60.65 60.31 1j3i s ILE 143 Cb -0.12 -0.25 0.43 0.00 1.25 0.00 0.00 42.46 43.77 1j3i s ILE 143 CO 0.02 -0.03 1.36 -0.46 0.24 0.00 0.00 174.94 176.07 1j3i n ASN 144 N 2.73 3.40 -3.71 4.36 2.04 -1.25 -1.33 115.26 121.49 1j3i n ASN 144 Ca -0.14 -2.19 -0.13 0.00 -0.44 0.00 0.00 54.58 51.68 1j3i n ASN 144 Cb 0.58 -0.35 -0.09 0.00 -2.53 0.00 0.00 39.78 37.39 1j3i n ASN 144 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1j3i s LYS 145 N -1.34 0.54 0.30 -3.83 1.02 -1.26 -4.85 119.74 110.32 1j3i s LYS 145 Ca 0.32 0.66 -0.01 0.00 0.02 0.00 0.00 55.97 56.96 1j3i s LYS 145 Cb 0.19 0.26 0.46 0.00 -0.52 0.00 0.00 37.83 38.22 1j3i s LYS 145 CO 0.18 -0.07 1.95 0.28 -0.92 0.00 0.00 175.35 176.77 1j3i h VAL 146 N 4.43 1.17 -0.53 3.17 2.07 -2.02 -0.23 116.25 124.31 1j3i h VAL 146 Ca -0.27 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 66.94 1j3i h VAL 146 Cb 1.18 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1j3i h VAL 146 CO 0.21 0.20 0.36 -0.33 0.02 0.00 0.00 177.57 178.03 1j3i h GLU 147 N 1.10 0.39 0.00 1.57 3.07 -2.02 -0.61 114.58 118.09 1j3i h GLU 147 Ca 0.33 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.13 1j3i h GLU 147 Cb -0.02 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1j3i h GLU 147 CO -0.09 0.26 -0.18 -0.44 -1.40 0.00 0.00 179.01 177.15 1j3i h ASP 148 N 0.40 0.00 -0.33 1.42 3.32 -1.44 -2.80 116.42 116.99 1j3i h ASP 148 Ca 0.24 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 1j3i h ASP 148 Cb 0.42 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1j3i h ASP 148 CO -0.06 0.18 -0.09 0.25 -1.72 0.00 0.00 179.24 177.80 1j3i h LEU 149 N 0.00 0.65 -0.56 1.55 5.85 -1.07 -1.91 115.31 119.82 1j3i h LEU 149 Ca -0.00 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1j3i h LEU 149 Cb 0.58 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1j3i h LEU 149 CO 0.02 0.87 0.32 0.40 -0.34 0.00 0.00 178.44 179.71 1j3i h ILE 150 N 0.42 1.18 -0.31 4.05 1.08 -1.48 0.37 117.51 122.82 1j3i h ILE 150 Ca 0.08 -0.44 0.01 0.00 -0.39 0.00 0.00 64.86 64.12 1j3i h ILE 150 Cb 0.59 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 1j3i h ILE 150 CO 0.03 0.19 0.20 0.58 -0.69 0.00 0.00 178.15 178.46 1j3i h VAL 151 N 0.76 1.06 -0.42 1.67 2.07 -1.41 -2.26 116.25 117.72 1j3i h VAL 151 Ca 0.20 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.61 1j3i h VAL 151 Cb 0.02 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1j3i h VAL 151 CO -0.03 0.07 0.22 0.25 0.02 0.00 0.00 177.57 178.10 1j3i h LEU 152 N 0.40 0.33 -1.63 2.57 5.85 -0.90 -1.00 115.31 120.93 1j3i h LEU 152 Ca 0.12 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.96 1j3i h LEU 152 Cb -0.03 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1j3i h LEU 152 CO -0.04 0.23 0.42 -0.07 -0.34 0.00 0.00 178.44 178.65 1j3i h LEU 153 N 0.44 0.37 -1.71 2.25 3.38 -0.63 0.25 115.31 119.66 1j3i h LEU 153 Ca 0.18 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1j3i h LEU 153 Cb 0.07 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1j3i h LEU 153 CO -0.11 0.22 -0.10 1.23 0.09 0.00 0.00 178.44 179.76 1j3i h GLY 154 N 0.41 0.00 0.56 0.83 0.00 -0.60 -2.98 103.07 101.29 1j3i h GLY 154 Ca 0.29 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.47 1j3i h GLY 154 CO -0.08 0.00 -1.71 0.28 0.00 0.00 0.00 176.54 175.03 1j3i n LYS 155 N -3.36 0.64 -2.74 4.80 5.02 0.73 -4.97 118.16 118.28 1j3i n LYS 155 Ca -0.01 0.07 -0.29 0.00 -2.02 0.00 0.00 58.31 56.06 1j3i n LYS 155 Cb 0.29 -1.68 -0.01 0.00 -0.02 0.00 0.00 35.03 33.60 1j3i n LYS 155 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1j3i s LEU 156 N -5.39 3.72 -0.36 -0.35 1.43 -0.35 -5.05 118.68 112.33 1j3i s LEU 156 Ca -0.05 1.01 -0.08 0.00 -1.03 0.00 0.00 54.13 53.98 1j3i s LEU 156 Cb 0.09 -3.93 0.05 0.00 0.03 0.00 0.00 46.19 42.43 1j3i s LEU 156 CO 0.84 -0.50 0.16 0.20 0.23 0.00 0.00 176.35 177.27 1j3i s ASN 157 N -3.69 5.45 0.21 2.29 0.01 -1.26 -4.95 114.94 113.01 1j3i s ASN 157 Ca 0.49 -1.21 -0.08 0.00 -0.71 0.00 0.00 52.86 51.35 1j3i s ASN 157 Cb -0.10 -1.92 -0.02 0.00 0.41 0.00 0.00 41.25 39.62 1j3i s ASN 157 CO 0.39 -0.38 0.32 -0.72 -1.51 0.00 0.00 177.10 175.19 1j3i s TYR 158 N 1.43 0.62 0.00 2.20 1.13 -1.26 -4.61 117.35 116.86 1j3i s TYR 158 Ca 0.00 -0.94 0.00 0.00 -1.41 0.00 0.00 57.07 54.72 1j3i s TYR 158 Cb -0.20 -0.11 0.00 0.00 -1.10 0.00 0.00 41.96 40.55 1j3i s TYR 158 CO 0.03 -0.81 0.00 0.98 -2.51 0.00 0.00 175.55 173.24 1j3i n TYR 159 N -0.30 0.00 -4.35 -3.49 9.36 -0.23 -4.95 117.16 113.20 1j3i n TYR 159 Ca -0.02 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.02 1j3i n TYR 159 Cb 0.63 -0.13 -0.10 0.00 -0.63 0.00 0.00 39.34 39.11 1j3i n TYR 159 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1j3i s LYS 160 N -0.51 1.35 -0.20 2.98 1.02 -1.26 -4.91 119.74 118.20 1j3i s LYS 160 Ca 0.00 -1.64 0.01 0.00 0.02 0.00 0.00 55.97 54.36 1j3i s LYS 160 Cb 0.00 -0.94 0.03 0.00 -0.52 0.00 0.00 37.83 36.39 1j3i s LYS 160 CO 0.00 0.07 -0.17 0.00 -0.92 0.00 0.00 175.35 174.33 1j3i s PHE 162 N 1.27 3.06 -0.28 0.00 0.08 0.31 -0.32 117.98 122.09 1j3i s PHE 162 Ca 0.02 -0.37 -0.22 0.00 0.12 0.00 0.00 56.93 56.48 1j3i s PHE 162 Cb -0.15 -2.07 -0.01 0.00 -0.57 0.00 0.00 43.02 40.23 1j3i s PHE 162 CO -0.10 -0.17 0.72 0.42 -0.10 0.00 0.00 175.22 175.98 1j3i s ILE 163 N 0.86 4.88 -0.21 0.64 -1.09 0.37 -0.62 121.20 126.03 1j3i s ILE 163 Ca 0.01 1.16 0.15 0.00 -2.23 0.00 0.00 60.65 59.74 1j3i s ILE 163 Cb -0.14 -4.05 0.58 0.00 -1.58 0.00 0.00 42.46 37.26 1j3i s ILE 163 CO 0.02 -0.12 1.49 2.30 -1.23 0.00 0.00 174.94 177.40 1j3i n ILE 164 N 5.37 2.42 0.00 2.92 -5.35 0.47 -2.28 119.36 122.91 1j3i n ILE 164 Ca 0.02 -1.89 0.00 0.00 -0.27 0.00 0.00 62.75 60.61 1j3i n ILE 164 Cb 0.48 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.11 1j3i n ILE 164 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j3i n GLY 165 N -0.42 1.20 0.00 3.28 0.00 -1.26 -4.95 105.19 103.04 1j3i n GLY 165 Ca 0.25 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1j3i n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j3i n GLY 166 N -0.39 1.37 0.27 -0.02 0.00 -1.26 -1.25 105.19 103.91 1j3i n GLY 166 Ca 0.00 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.37 1j3i n GLY 166 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j3i h SER 167 N 0.00 0.87 -0.47 1.61 4.64 -1.97 0.25 113.55 118.48 1j3i h SER 167 Ca 0.00 -0.21 -0.08 0.00 -0.47 0.00 0.00 61.79 61.03 1j3i h SER 167 Cb 0.00 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 1j3i h SER 167 CO 0.00 0.85 -0.01 0.58 -0.87 0.00 0.00 176.83 177.38 1j3i h VAL 168 N 0.84 1.26 -0.43 0.95 2.07 -1.95 -2.00 116.25 117.00 1j3i h VAL 168 Ca 0.19 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1j3i h VAL 168 Cb 0.30 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1j3i h VAL 168 CO -0.00 0.37 0.18 0.58 0.02 0.00 0.00 177.57 178.72 1j3i h VAL 169 N 0.69 1.19 -0.21 2.57 2.07 -1.79 -2.60 116.25 118.18 1j3i h VAL 169 Ca 0.13 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1j3i h VAL 169 Cb 0.52 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1j3i h VAL 169 CO 0.03 0.22 0.13 1.88 0.02 0.00 0.00 177.57 179.85 1j3i h TYR 170 N 0.54 0.25 -0.61 1.57 0.05 -0.86 -2.63 116.97 115.28 1j3i h TYR 170 Ca 0.14 0.01 0.13 0.00 0.05 0.00 0.00 58.73 59.06 1j3i h TYR 170 Cb 0.17 -0.08 -0.11 0.00 1.01 0.00 0.00 36.73 37.72 1j3i h TYR 170 CO -0.00 0.16 -0.03 0.37 -1.05 0.00 0.00 178.16 177.61 1j3i h GLN 171 N 0.27 0.09 0.00 4.88 -0.00 -1.20 -2.39 115.11 116.77 1j3i h GLN 171 Ca 0.08 -0.01 -0.15 0.00 -0.00 0.00 0.00 58.65 58.57 1j3i h GLN 171 Cb -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.41 1j3i h GLN 171 CO -0.02 0.06 -0.74 1.05 0.00 0.00 0.00 178.83 179.18 1j3i h GLU 172 N 0.09 0.00 -0.06 1.69 4.11 -1.31 -2.59 114.58 116.51 1j3i h GLU 172 Ca 0.31 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.61 1j3i h GLU 172 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1j3i h GLU 172 CO -0.54 0.74 -0.58 0.74 0.07 0.00 0.00 179.01 179.44 1j3i h PHE 173 N 0.00 0.26 -0.05 2.06 -1.00 -1.15 -1.15 116.94 115.92 1j3i h PHE 173 Ca -0.01 -0.09 -0.05 0.00 2.81 0.00 0.00 57.97 60.63 1j3i h PHE 173 Cb 1.40 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.92 1j3i h PHE 173 CO 0.00 0.73 -0.18 -0.07 -1.61 0.00 0.00 178.31 177.18 1j3i h LEU 174 N 0.15 0.23 -1.29 1.54 3.38 -1.46 0.10 115.31 117.96 1j3i h LEU 174 Ca -0.00 -0.64 0.04 0.00 0.09 0.00 0.00 57.88 57.37 1j3i h LEU 174 Cb 1.06 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 1j3i h LEU 174 CO 0.09 0.83 0.50 -0.33 0.09 0.00 0.00 178.44 179.62 1j3i h GLU 175 N -0.35 0.89 -0.10 1.13 5.08 -1.41 0.20 114.58 120.02 1j3i h GLU 175 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1j3i h GLU 175 Cb 0.82 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1j3i h GLU 175 CO 0.04 0.59 0.00 1.63 -1.00 0.00 0.00 179.01 180.26 1j3i n LYS 176 N -4.46 1.37 -3.86 2.33 5.02 -0.44 -4.91 118.16 113.21 1j3i n LYS 176 Ca 0.10 -0.56 -0.26 0.00 -2.02 0.00 0.00 58.31 55.56 1j3i n LYS 176 Cb 0.13 -1.30 0.02 0.00 -0.02 0.00 0.00 35.03 33.86 1j3i n LYS 176 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1j3i n LYS 177 N -0.19 -4.78 0.00 1.97 5.02 0.69 -4.90 118.16 115.98 1j3i n LYS 177 Ca 0.13 0.56 0.12 0.00 -2.02 0.00 0.00 58.31 57.10 1j3i n LYS 177 Cb 0.18 -5.19 0.14 0.00 -0.02 0.00 0.00 35.03 30.14 1j3i n LYS 177 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1j3i n LEU 178 N -4.46 2.57 -4.65 -0.35 4.77 0.31 -4.60 117.00 110.58 1j3i n LEU 178 Ca -0.14 -0.87 -0.38 0.00 -0.03 0.00 0.00 56.01 54.59 1j3i n LEU 178 Cb 0.61 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.60 1j3i n LEU 178 CO 0.73 0.44 -0.05 -0.63 -1.33 0.00 0.00 177.39 176.56 1j3i s ILE 179 N -2.11 5.27 -0.11 -0.08 -1.09 -1.25 -4.30 121.20 117.53 1j3i s ILE 179 Ca 0.27 0.42 0.16 0.00 -2.23 0.00 0.00 60.65 59.27 1j3i s ILE 179 Cb 0.20 -3.61 -0.17 0.00 -1.58 0.00 0.00 42.46 37.29 1j3i s ILE 179 CO 0.37 0.28 0.70 1.17 -1.23 0.00 0.00 174.94 176.22 1j3i n LYS 180 N 4.58 0.63 -3.54 2.79 4.81 -0.32 -4.75 118.16 122.36 1j3i n LYS 180 Ca -0.12 0.19 -0.17 0.00 -0.87 0.00 0.00 58.31 57.35 1j3i n LYS 180 Cb 0.51 -1.76 -0.06 0.00 0.02 0.00 0.00 35.03 33.74 1j3i n LYS 180 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1j3i s LYS 181 N -2.85 1.04 -0.21 1.64 1.02 -1.26 -2.06 119.74 117.05 1j3i s LYS 181 Ca -0.04 0.12 0.01 0.00 0.02 0.00 0.00 55.97 56.08 1j3i s LYS 181 Cb 0.09 0.48 0.04 0.00 -0.52 0.00 0.00 37.83 37.92 1j3i s LYS 181 CO 0.82 -0.34 -0.12 0.42 -0.92 0.00 0.00 175.35 175.22 1j3i s ILE 182 N -1.51 1.77 -0.62 2.17 1.01 -0.27 -1.97 121.20 121.78 1j3i s ILE 182 Ca -0.10 -1.09 -0.21 0.00 0.00 0.00 0.00 60.65 59.25 1j3i s ILE 182 Cb -0.01 -1.81 0.08 0.00 0.01 0.00 0.00 42.46 40.73 1j3i s ILE 182 CO 0.07 0.18 0.85 -0.31 0.00 0.00 0.00 174.94 175.73 1j3i s TYR 183 N 1.34 2.81 -0.26 3.97 2.02 0.27 -1.07 117.35 126.42 1j3i s TYR 183 Ca -0.02 -0.67 -0.08 0.00 -0.37 0.00 0.00 57.07 55.93 1j3i s TYR 183 Cb -0.16 -4.14 -0.02 0.00 -0.40 0.00 0.00 41.96 37.23 1j3i s TYR 183 CO -0.08 -1.48 0.09 0.12 -1.57 0.00 0.00 175.55 172.63 1j3i s PHE 184 N 3.49 3.11 -0.18 2.71 2.19 -0.37 -1.19 117.98 127.75 1j3i s PHE 184 Ca 0.18 -0.44 -0.15 0.00 0.33 0.00 0.00 56.93 56.85 1j3i s PHE 184 Cb -0.19 -2.27 -0.04 0.00 -1.31 0.00 0.00 43.02 39.21 1j3i s PHE 184 CO 0.09 -0.37 0.35 0.99 1.83 0.00 0.00 175.22 178.11 1j3i s THR 185 N 1.62 5.25 -0.38 0.12 2.01 -0.59 -0.73 115.64 122.94 1j3i s THR 185 Ca 0.06 0.64 -0.13 0.00 0.31 0.00 0.00 61.69 62.57 1j3i s THR 185 Cb -0.16 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.69 1j3i s THR 185 CO 0.04 0.32 0.24 -0.13 -0.69 0.00 0.00 174.62 174.41 1j3i s ARG 186 N 0.88 2.94 -0.50 4.92 0.52 0.26 -0.86 118.95 127.11 1j3i s ARG 186 Ca 0.18 -1.02 -0.21 0.00 -0.52 0.00 0.00 55.73 54.16 1j3i s ARG 186 Cb -0.14 -3.83 0.04 0.00 0.52 0.00 0.00 34.95 31.55 1j3i s ARG 186 CO 0.06 -0.70 0.74 0.42 0.02 0.00 0.00 175.30 175.85 1j3i s ILE 187 N 1.61 4.69 -1.54 1.52 -1.09 0.32 -2.14 121.20 124.58 1j3i s ILE 187 Ca 0.03 -0.07 -0.10 0.00 -2.23 0.00 0.00 60.65 58.29 1j3i s ILE 187 Cb -0.19 -4.36 -0.03 0.00 -1.58 0.00 0.00 42.46 36.30 1j3i s ILE 187 CO 0.08 -0.86 2.72 -3.20 -1.23 0.00 0.00 174.94 172.45 1j3i n ASN 188 N 6.64 7.78 -3.53 3.58 5.15 -0.68 -3.74 115.26 130.45 1j3i n ASN 188 Ca -0.02 -2.72 -0.11 0.00 -0.60 0.00 0.00 54.58 51.12 1j3i n ASN 188 Cb 0.47 -1.54 -0.02 0.00 -0.53 0.00 0.00 39.78 38.15 1j3i n ASN 188 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1j3i s SER 189 N 1.99 -0.46 -0.05 1.20 1.04 -1.26 -4.44 113.70 111.72 1j3i s SER 189 Ca 0.63 -0.17 -0.03 0.00 0.48 0.00 0.00 55.95 56.86 1j3i s SER 189 Cb 0.17 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.85 1j3i s SER 189 CO -0.07 -1.01 0.11 -0.89 0.98 0.00 0.00 173.24 172.36 1j3i s THR 190 N -3.79 5.10 0.15 2.02 2.01 -1.26 -1.72 115.64 118.14 1j3i s THR 190 Ca 0.03 -0.13 -0.13 0.00 0.31 0.00 0.00 61.69 61.78 1j3i s THR 190 Cb -0.01 -3.28 0.01 0.00 0.01 0.00 0.00 72.50 69.23 1j3i s THR 190 CO -0.09 0.47 0.35 -0.31 -0.69 0.00 0.00 174.62 174.34 1j3i s TYR 191 N -1.13 0.07 0.08 4.92 1.51 -1.06 -4.95 117.35 116.78 1j3i s TYR 191 Ca 0.20 -0.43 -0.31 0.00 -1.01 0.00 0.00 57.07 55.53 1j3i s TYR 191 Cb -0.12 0.13 -0.06 0.00 -0.11 0.00 0.00 41.96 41.80 1j3i s TYR 191 CO 0.10 -0.73 1.24 -2.00 -1.11 0.00 0.00 175.55 173.06 1j3i s GLU 192 N -3.88 4.41 0.04 -0.62 2.12 -1.26 -2.41 118.70 117.10 1j3i s GLU 192 Ca 0.09 1.85 -0.00 0.00 0.36 0.00 0.00 54.97 57.27 1j3i s GLU 192 Cb 0.02 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 1j3i s GLU 192 CO -0.06 -0.29 -0.04 0.00 -0.54 0.00 0.00 175.26 174.33 1j3i n ASP 194 N 0.99 3.63 -4.28 0.00 5.68 -0.43 -4.97 116.55 117.17 1j3i n ASP 194 Ca -0.20 -0.05 -0.23 0.00 -0.50 0.00 0.00 54.79 53.81 1j3i n ASP 194 Cb 0.57 0.84 -0.12 0.00 -1.14 0.00 0.00 41.12 41.27 1j3i n ASP 194 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1j3i s VAL 195 N -1.56 1.66 0.14 2.12 -7.23 -1.19 -5.02 120.40 109.33 1j3i s VAL 195 Ca 0.00 -1.56 0.02 0.00 -1.81 0.00 0.00 61.98 58.63 1j3i s VAL 195 Cb 0.00 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 1j3i s VAL 195 CO 0.00 -0.10 -0.03 -0.36 -0.31 0.00 0.00 175.10 174.30 1j3i s PHE 196 N -1.27 1.11 0.41 2.82 0.08 -1.26 -2.03 117.98 117.84 1j3i s PHE 196 Ca 0.07 -0.96 -0.19 0.00 0.12 0.00 0.00 56.93 55.96 1j3i s PHE 196 Cb -0.10 -0.63 -0.10 0.00 -0.57 0.00 0.00 43.02 41.63 1j3i s PHE 196 CO 0.04 -0.16 0.91 0.12 -0.10 0.00 0.00 175.22 176.03 1j3i s PHE 197 N -3.61 3.33 0.52 0.36 5.36 -0.76 -4.82 117.98 118.36 1j3i s PHE 197 Ca 0.19 1.51 -0.20 0.00 -0.96 0.00 0.00 56.93 57.47 1j3i s PHE 197 Cb 0.05 -2.78 -0.07 0.00 -0.34 0.00 0.00 43.02 39.89 1j3i s PHE 197 CO 0.01 -0.09 1.09 -2.14 -1.46 0.00 0.00 175.22 172.63 1j3i s PRO 198 N -3.22 3.55 0.10 10.12 0.02 -1.26 -4.92 135.00 139.38 1j3i s PRO 198 Ca 0.60 1.51 -0.31 0.00 0.02 0.00 0.00 61.00 62.83 1j3i s PRO 198 Cb -0.09 -2.05 -0.09 0.00 0.02 0.00 0.00 34.50 32.28 1j3i s PRO 198 CO 0.15 -0.67 1.73 -2.00 -0.33 0.00 0.00 177.00 175.89 1j3i s GLU 199 N -3.25 4.17 0.02 5.54 2.12 -1.26 -4.93 118.70 121.10 1j3i s GLU 199 Ca 0.70 2.45 -0.27 0.00 0.36 0.00 0.00 54.97 58.21 1j3i s GLU 199 Cb -0.21 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 1j3i s GLU 199 CO 0.24 -0.78 0.86 0.42 -0.54 0.00 0.00 175.26 175.46 1j3i s ILE 200 N 2.66 4.81 -0.32 -3.70 1.01 -1.26 -5.02 121.20 119.38 1j3i s ILE 200 Ca 0.77 1.82 -0.29 0.00 0.00 0.00 0.00 60.65 62.95 1j3i s ILE 200 Cb -0.43 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 37.85 1j3i s ILE 200 CO 0.34 0.26 1.06 0.21 0.00 0.00 0.00 174.94 176.81 1j3i s ASN 201 N 0.52 6.92 0.36 3.58 3.84 -1.26 -4.90 114.94 124.00 1j3i s ASN 201 Ca 0.45 1.03 0.25 0.00 0.21 0.00 0.00 52.86 54.80 1j3i s ASN 201 Cb -0.21 -2.54 1.30 0.00 -0.55 0.00 0.00 41.25 39.26 1j3i s ASN 201 CO 0.25 -0.86 1.76 -0.08 -2.79 0.00 0.00 177.10 175.37 1j3i h GLU 202 N 8.08 0.00 0.00 0.43 4.57 -1.96 0.56 114.58 126.26 1j3i h GLU 202 Ca -0.21 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1j3i h GLU 202 Cb 1.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1j3i h GLU 202 CO 1.02 0.00 -0.77 -0.91 -1.18 0.00 0.00 179.01 177.17 1j3i h ASN 203 N 0.00 0.00 0.00 1.04 2.35 -2.02 -3.35 115.58 113.60 1j3i h ASN 203 Ca 0.00 -0.19 -0.36 0.00 -0.55 0.00 0.00 56.30 55.20 1j3i h ASN 203 Cb 0.05 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.35 1j3i h ASN 203 CO 0.00 0.09 -2.35 -0.62 -1.65 0.00 0.00 177.43 172.91 1j3i n GLU 204 N -2.23 0.79 -4.19 0.81 1.02 -0.12 -4.74 120.64 111.99 1j3i n GLU 204 Ca 0.02 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.99 1j3i n GLU 204 Cb 0.46 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.23 1j3i n GLU 204 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1j3i s TYR 205 N -2.47 0.57 -0.01 -0.32 2.02 0.00 1.00 117.35 118.13 1j3i s TYR 205 Ca -0.11 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.50 1j3i s TYR 205 Cb 0.06 -0.40 -0.01 0.00 -0.40 0.00 0.00 41.96 41.21 1j3i s TYR 205 CO 0.79 -0.04 -0.09 1.14 -1.57 0.00 0.00 175.55 175.78 1j3i s GLN 206 N 0.05 0.76 0.09 -0.62 -2.07 -0.24 -4.27 119.66 113.36 1j3i s GLN 206 Ca -0.00 -0.32 -0.31 0.00 -1.82 0.00 0.00 55.36 52.91 1j3i s GLN 206 Cb -0.05 -0.73 -0.08 0.00 -1.09 0.00 0.00 33.01 31.07 1j3i s GLN 206 CO -0.00 0.18 1.47 0.42 -1.32 0.00 0.00 175.29 176.04 1j3i s ILE 207 N -0.14 3.24 -0.33 3.63 1.01 -1.26 -0.15 121.20 127.20 1j3i s ILE 207 Ca 0.02 0.81 0.06 0.00 0.00 0.00 0.00 60.65 61.54 1j3i s ILE 207 Cb -0.04 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 1j3i s ILE 207 CO -0.00 0.03 0.29 2.30 0.00 0.00 0.00 174.94 177.56 1j3i n ILE 208 N 4.27 0.00 -3.60 2.92 -5.35 0.18 -4.91 119.36 112.87 1j3i n ILE 208 Ca 0.13 -0.38 -0.15 0.00 -0.27 0.00 0.00 62.75 62.07 1j3i n ILE 208 Cb 0.42 1.02 -0.07 0.00 -1.74 0.00 0.00 39.64 39.26 1j3i n ILE 208 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1j3i s SER 209 N -1.42 -0.66 -0.02 7.28 0.01 -1.22 -4.99 113.70 112.68 1j3i s SER 209 Ca 0.03 1.03 0.01 0.00 1.31 0.00 0.00 55.95 58.33 1j3i s SER 209 Cb 0.04 0.98 0.01 0.00 0.21 0.00 0.00 66.02 67.27 1j3i s SER 209 CO 0.21 -0.39 -0.03 0.68 0.41 0.00 0.00 173.24 174.12 1j3i s VAL 210 N -0.35 0.36 0.38 3.43 -7.23 -1.26 -1.46 120.40 114.26 1j3i s VAL 210 Ca -0.05 -0.09 -0.03 0.00 -1.81 0.00 0.00 61.98 60.00 1j3i s VAL 210 Cb -0.03 -0.37 0.08 0.00 0.56 0.00 0.00 36.38 36.62 1j3i s VAL 210 CO 0.05 0.15 0.52 -1.54 -0.31 0.00 0.00 175.10 173.97 1j3i n SER 211 N 3.63 0.40 -4.72 4.85 3.41 -0.07 -5.02 113.62 116.10 1j3i n SER 211 Ca -0.21 -1.41 -0.29 0.00 -0.26 0.00 0.00 58.87 56.70 1j3i n SER 211 Cb 0.54 -0.36 0.15 0.00 -0.26 0.00 0.00 64.21 64.27 1j3i n SER 211 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1j3i s ASP 212 N -3.01 3.19 -0.02 4.04 2.15 -1.26 -4.77 116.67 116.98 1j3i s ASP 212 Ca 0.32 1.22 -0.02 0.00 0.43 0.00 0.00 52.55 54.51 1j3i s ASP 212 Cb -0.01 -1.88 -0.04 0.00 -0.30 0.00 0.00 42.92 40.69 1j3i s ASP 212 CO 0.22 -2.78 0.10 -0.69 -0.17 0.00 0.00 175.17 171.85 1j3i s VAL 213 N -3.04 4.91 0.23 1.11 1.01 -1.26 -4.49 120.40 118.86 1j3i s VAL 213 Ca 0.64 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.33 1j3i s VAL 213 Cb -0.17 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 1j3i s VAL 213 CO 0.56 0.39 0.10 -0.31 0.00 0.00 0.00 175.10 175.84 1j3i s TYR 214 N -1.18 1.39 -0.06 5.22 1.51 -0.43 -4.98 117.35 118.82 1j3i s TYR 214 Ca 0.22 -1.23 0.04 0.00 -1.01 0.00 0.00 57.07 55.10 1j3i s TYR 214 Cb -0.12 -0.78 0.00 0.00 -0.11 0.00 0.00 41.96 40.95 1j3i s TYR 214 CO 0.13 -0.41 -0.18 0.99 -1.11 0.00 0.00 175.55 174.97 1j3i s THR 215 N -3.87 1.52 -0.27 -0.71 2.01 -1.26 -0.70 115.64 112.36 1j3i s THR 215 Ca 0.37 -0.74 -0.16 0.00 0.31 0.00 0.00 61.69 61.47 1j3i s THR 215 Cb 0.07 -1.33 0.08 0.00 0.01 0.00 0.00 72.50 71.33 1j3i s THR 215 CO 0.12 0.44 0.67 -0.55 -0.69 0.00 0.00 174.62 174.61 1j3i s SER 216 N 0.25 -0.90 -1.28 3.53 0.15 -0.27 -4.95 113.70 110.23 1j3i s SER 216 Ca -0.10 1.46 -0.01 0.00 0.70 0.00 0.00 55.95 58.01 1j3i s SER 216 Cb -0.14 1.35 0.01 0.00 -1.71 0.00 0.00 66.02 65.52 1j3i s SER 216 CO 0.04 -0.24 0.84 0.59 1.20 0.00 0.00 173.24 175.68 1j3i n ASN 217 N 4.21 -1.89 -2.43 5.45 4.13 -1.26 -2.88 115.26 120.59 1j3i n ASN 217 Ca -0.20 -0.73 -0.21 0.00 1.68 0.00 0.00 54.58 55.12 1j3i n ASN 217 Cb 0.58 -4.48 -0.00 0.00 -1.54 0.00 0.00 39.78 34.34 1j3i n ASN 217 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1j3i n ASN 218 N -3.07 -5.88 -3.59 6.41 3.02 -1.26 -4.99 115.26 105.90 1j3i n ASN 218 Ca -0.27 -0.05 -0.14 0.00 -0.03 0.00 0.00 54.58 54.09 1j3i n ASN 218 Cb 0.66 -4.87 -0.06 0.00 -0.61 0.00 0.00 39.78 34.91 1j3i n ASN 218 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1j3i s THR 219 N -3.05 0.03 0.43 3.41 -1.32 -1.14 -5.07 115.64 108.93 1j3i s THR 219 Ca 0.04 -0.23 0.01 0.00 -1.21 0.00 0.00 61.69 60.29 1j3i s THR 219 Cb -0.02 -0.94 -0.01 0.00 -1.51 0.00 0.00 72.50 70.02 1j3i s THR 219 CO 0.05 -0.13 0.65 0.42 -2.21 0.00 0.00 174.62 173.40 1j3i s THR 220 N -2.12 4.13 -0.05 5.08 -4.23 -1.26 -1.11 115.64 116.08 1j3i s THR 220 Ca -0.07 -0.50 -0.30 0.00 -1.18 0.00 0.00 61.69 59.64 1j3i s THR 220 Cb -0.01 -3.52 0.11 0.00 1.34 0.00 0.00 72.50 70.42 1j3i s THR 220 CO 0.01 -0.36 0.95 -1.48 -0.54 0.00 0.00 174.62 173.20 1j3i s LEU 221 N -4.52 -0.34 0.26 4.79 2.34 0.12 -1.68 118.68 119.65 1j3i s LEU 221 Ca 0.47 0.06 -0.03 0.00 0.06 0.00 0.00 54.13 54.70 1j3i s LEU 221 Cb -0.10 1.92 -0.02 0.00 -0.56 0.00 0.00 46.19 47.43 1j3i s LEU 221 CO 0.37 -0.53 0.30 1.51 -1.06 0.00 0.00 176.35 176.95 1j3i s ASP 222 N -2.23 0.47 -0.07 1.48 1.47 -0.91 -1.31 116.67 115.57 1j3i s ASP 222 Ca 0.04 -1.35 0.03 0.00 1.18 0.00 0.00 52.55 52.45 1j3i s ASP 222 Cb -0.01 0.51 0.01 0.00 -0.34 0.00 0.00 42.92 43.09 1j3i s ASP 222 CO -0.07 -1.04 -0.16 -0.36 0.68 0.00 0.00 175.17 174.23 1j3i s PHE 223 N -3.80 1.78 0.20 2.11 0.08 -1.26 -0.57 117.98 116.51 1j3i s PHE 223 Ca 0.34 -0.68 0.07 0.00 0.12 0.00 0.00 56.93 56.78 1j3i s PHE 223 Cb 0.03 -1.25 -0.05 0.00 -0.57 0.00 0.00 43.02 41.18 1j3i s PHE 223 CO 0.15 -0.31 -0.14 0.96 -0.10 0.00 0.00 175.22 175.78 1j3i s ILE 224 N 0.55 1.69 -0.12 0.64 -4.36 0.09 -0.90 121.20 118.80 1j3i s ILE 224 Ca -0.16 -2.19 0.01 0.00 -0.26 0.00 0.00 60.65 58.06 1j3i s ILE 224 Cb -0.16 -2.02 0.02 0.00 1.25 0.00 0.00 42.46 41.54 1j3i s ILE 224 CO 0.05 -0.60 -0.14 -0.63 0.24 0.00 0.00 174.94 173.86 1j3i s ILE 225 N -2.97 1.48 -0.11 8.37 1.01 -0.54 -1.24 121.20 127.20 1j3i s ILE 225 Ca 0.22 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 1j3i s ILE 225 Cb -0.01 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1j3i s ILE 225 CO 0.06 0.44 0.17 -0.31 0.00 0.00 0.00 174.94 175.30 1j3i s TYR 226 N 1.16 3.61 -0.04 3.97 1.51 -0.24 -0.64 117.35 126.68 1j3i s TYR 226 Ca -0.03 0.57 0.06 0.00 -1.01 0.00 0.00 57.07 56.66 1j3i s TYR 226 Cb -0.14 -1.98 -0.02 0.00 -0.11 0.00 0.00 41.96 39.71 1j3i s TYR 226 CO -0.04 0.72 -0.21 0.21 -1.11 0.00 0.00 175.55 175.12 1j3i s LYS 227 N -1.00 2.33 -0.10 -0.62 2.20 0.78 -1.11 119.74 122.23 1j3i s LYS 227 Ca 0.16 -0.83 -0.31 0.00 -0.36 0.00 0.00 55.97 54.63 1j3i s LYS 227 Cb -0.12 -2.20 -0.08 0.00 -1.51 0.00 0.00 37.83 33.91 1j3i s LYS 227 CO 0.05 0.56 2.05 1.17 -0.36 0.00 0.00 175.35 178.82 1j3i n LYS 228 N 2.45 2.32 -1.91 4.03 3.00 -0.88 -1.08 118.16 126.10 1j3i n LYS 228 Ca -0.17 0.79 -0.41 0.00 -0.00 0.00 0.00 58.31 58.52 1j3i n LYS 228 Cb 0.52 -2.97 -0.02 0.00 0.00 0.00 0.00 35.03 32.56 1j3i n LYS 228 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1j3i s THR 229 N 5.81 2.36 -0.03 3.15 -4.23 0.28 -4.81 115.64 118.17 1j3i s THR 229 Ca 0.95 0.32 -0.34 0.00 -1.18 0.00 0.00 61.69 61.44 1j3i s THR 229 Cb -0.48 -3.20 -0.12 0.00 1.34 0.00 0.00 72.50 70.03 1j3i s THR 229 CO 0.42 0.06 1.80 0.59 -0.54 0.00 0.00 174.62 176.95 1j3i n ASN 230 N 1.78 3.32 -0.25 3.99 3.02 -1.26 -4.79 115.26 121.07 1j3i n ASN 230 Ca 0.05 1.00 0.20 0.00 -0.03 0.00 0.00 54.58 55.80 1j3i n ASN 230 Cb 0.39 -1.38 0.32 0.00 -0.61 0.00 0.00 39.78 38.50 1j3i n ASN 230 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1j3i n ASN 231 N 5.82 0.05 -4.36 6.41 0.23 -1.26 -4.37 115.26 117.77 1j3i n ASN 231 Ca 0.21 0.51 -0.46 0.00 -0.53 0.00 0.00 54.58 54.31 1j3i n ASN 231 Cb 0.29 -0.25 -0.02 0.00 -2.08 0.00 0.00 39.78 37.72 1j3i n ASN 231 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1j3i s LYS 232 N -4.05 3.77 0.00 -3.83 1.02 -1.26 -5.09 119.74 110.30 1j3i s LYS 232 Ca -0.03 -2.51 0.00 0.00 0.02 0.00 0.00 55.97 53.45 1j3i s LYS 232 Cb 0.12 -4.59 0.00 0.00 -0.52 0.00 0.00 37.83 32.84 1j3i s LYS 232 CO 0.36 -1.40 0.00 -1.33 -0.92 0.00 0.00 175.35 172.06