#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3k n MET 2 N 0.00 1.99 -3.90 2.12 0.00 -1.26 -4.69 117.12 111.38 1j3k n MET 2 Ca 0.00 -3.16 -0.31 0.00 0.00 0.00 0.00 57.70 54.22 1j3k n MET 2 Cb 0.00 -1.94 -0.13 0.00 0.00 0.00 0.00 33.22 31.15 1j3k n MET 2 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1j3k s GLU 3 N -3.29 2.11 -0.15 0.03 -1.05 -1.26 -5.08 118.70 110.02 1j3k s GLU 3 Ca 0.49 -2.63 -0.26 0.00 -0.15 0.00 0.00 54.97 52.42 1j3k s GLU 3 Cb 0.43 -3.41 -0.01 0.00 -0.44 0.00 0.00 34.13 30.70 1j3k s GLU 3 CO 0.03 -1.13 0.88 -0.65 0.95 0.00 0.00 175.26 175.34 1j3k s GLN 4 N -0.28 4.34 0.13 -4.83 -1.52 -1.26 -4.94 119.66 111.30 1j3k s GLN 4 Ca 0.17 1.12 -0.24 0.00 -1.95 0.00 0.00 55.36 54.47 1j3k s GLN 4 Cb -0.25 -3.56 -0.04 0.00 -0.22 0.00 0.00 33.01 28.94 1j3k s GLN 4 CO -0.01 -0.31 1.20 0.28 -0.25 0.00 0.00 175.29 176.20 1j3k n VAL 5 N 4.63 -0.52 0.00 1.09 0.31 -1.26 0.09 118.33 122.68 1j3k n VAL 5 Ca 0.05 1.88 0.19 0.00 -0.01 0.00 0.00 64.34 66.45 1j3k n VAL 5 Cb 0.49 -2.32 0.68 0.00 -0.91 0.00 0.00 33.84 31.77 1j3k n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j3k h ASP 7 N 0.02 0.00 0.00 0.00 3.32 -0.71 0.27 116.42 119.32 1j3k h ASP 7 Ca 0.25 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.18 1j3k h ASP 7 Cb 0.96 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 1j3k h ASP 7 CO -0.01 0.38 -0.65 0.58 -1.72 0.00 0.00 179.24 177.82 1j3k h VAL 8 N 0.00 1.33 -0.32 -1.35 2.07 0.25 -3.35 116.25 114.87 1j3k h VAL 8 Ca -0.03 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.24 1j3k h VAL 8 Cb 1.32 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.85 1j3k h VAL 8 CO 0.05 0.45 0.00 0.49 0.02 0.00 0.00 177.57 178.57 1j3k n PHE 9 N -4.52 0.42 -3.78 1.57 3.72 0.33 -4.70 117.46 110.50 1j3k n PHE 9 Ca -0.21 -0.21 -0.25 0.00 -0.05 0.00 0.00 57.45 56.73 1j3k n PHE 9 Cb 0.58 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 1j3k n PHE 9 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1j3k n ASP 10 N 0.74 -4.93 -4.62 4.37 8.00 0.85 -4.10 116.55 116.87 1j3k n ASP 10 Ca 0.16 -0.96 -0.40 0.00 0.71 0.00 0.00 54.79 54.30 1j3k n ASP 10 Cb 0.40 -1.84 -0.07 0.00 -0.02 0.00 0.00 41.12 39.59 1j3k n ASP 10 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1j3k s ILE 11 N -3.04 5.02 0.25 0.53 1.01 -0.58 -2.18 121.20 122.22 1j3k s ILE 11 Ca 0.04 0.94 0.11 0.00 0.00 0.00 0.00 60.65 61.74 1j3k s ILE 11 Cb -0.02 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 1j3k s ILE 11 CO 0.90 0.02 -0.19 -0.31 0.00 0.00 0.00 174.94 175.36 1j3k s TYR 12 N 2.42 2.14 -0.04 3.97 2.02 0.80 -0.54 117.35 128.12 1j3k s TYR 12 Ca 0.23 -0.39 0.07 0.00 -0.37 0.00 0.00 57.07 56.61 1j3k s TYR 12 Cb -0.15 -0.95 -0.02 0.00 -0.40 0.00 0.00 41.96 40.44 1j3k s TYR 12 CO 0.09 0.61 -0.25 0.00 -1.57 0.00 0.00 175.55 174.43 1j3k s ALA 13 N -2.56 2.12 -0.05 3.71 0.00 -0.36 0.97 121.76 125.59 1j3k s ALA 13 Ca 0.27 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1j3k s ALA 13 Cb -0.04 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.51 1j3k s ALA 13 CO 0.12 0.47 -0.04 -1.50 0.00 0.00 0.00 175.76 174.82 1j3k s ILE 14 N -0.41 0.53 0.31 0.00 2.07 -1.02 -0.39 121.20 122.30 1j3k s ILE 14 Ca 0.04 -0.09 -0.01 0.00 -1.41 0.00 0.00 60.65 59.18 1j3k s ILE 14 Cb -0.11 -0.58 0.01 0.00 0.13 0.00 0.00 42.46 41.90 1j3k s ILE 14 CO 0.01 0.24 0.43 0.00 -1.91 0.00 0.00 174.94 173.70 1j3k s ALA 16 N -2.68 -0.41 -0.04 0.00 0.00 -1.26 -1.58 121.76 115.79 1j3k s ALA 16 Ca 0.26 0.80 0.06 0.00 0.00 0.00 0.00 51.96 53.09 1j3k s ALA 16 Cb -0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 1j3k s ALA 16 CO 0.19 -0.56 -0.23 0.00 0.00 0.00 0.00 175.76 175.17 1j3k s LYS 19 N -4.03 3.66 0.00 0.00 1.02 -0.48 -1.17 119.74 118.73 1j3k s LYS 19 Ca 0.39 0.05 0.06 0.00 0.02 0.00 0.00 55.97 56.49 1j3k s LYS 19 Cb -0.03 -2.64 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 1j3k s LYS 19 CO 0.25 0.22 -0.18 0.14 -0.92 0.00 0.00 175.35 174.86 1j3k s VAL 20 N -2.05 2.79 0.22 3.17 -7.23 -1.26 -2.69 120.40 113.33 1j3k s VAL 20 Ca 0.44 -1.03 -0.32 0.00 -1.81 0.00 0.00 61.98 59.27 1j3k s VAL 20 Cb -0.11 -2.12 -0.14 0.00 0.56 0.00 0.00 36.38 34.57 1j3k s VAL 20 CO 0.29 0.45 1.40 -0.62 -0.31 0.00 0.00 175.10 176.31 1j3k n GLU 21 N 1.91 1.92 0.00 4.82 1.02 -1.22 -4.81 120.64 124.28 1j3k n GLU 21 Ca -0.16 0.69 0.02 0.00 -0.02 0.00 0.00 57.16 57.68 1j3k n GLU 21 Cb 0.52 -2.34 0.13 0.00 -0.02 0.00 0.00 31.44 29.74 1j3k n GLU 21 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1j3k n SER 22 N 2.30 0.00 -0.01 1.62 3.41 -1.26 -4.77 113.62 114.91 1j3k n SER 22 Ca 0.13 -0.27 -0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1j3k n SER 22 Cb 0.30 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1j3k n SER 22 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1j3k n LYS 23 N -0.84 -0.69 -0.71 4.33 4.76 -1.26 -3.17 118.16 120.58 1j3k n LYS 23 Ca 0.03 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1j3k n LYS 23 Cb 0.02 -3.71 0.00 0.00 -1.84 0.00 0.00 35.03 29.50 1j3k n LYS 23 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1j3k n ASN 24 N -0.33 -1.44 -2.52 4.39 3.02 -1.26 -4.82 115.26 112.29 1j3k n ASN 24 Ca -0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.28 1j3k n ASN 24 Cb 0.17 -2.20 -0.00 0.00 -0.61 0.00 0.00 39.78 37.14 1j3k n ASN 24 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1j3k n GLU 25 N -1.42 3.41 -3.23 3.52 4.07 -1.19 -5.03 120.64 120.77 1j3k n GLU 25 Ca 0.00 -4.52 -0.19 0.00 -0.06 0.00 0.00 57.16 52.39 1j3k n GLU 25 Cb 0.11 -2.25 -0.00 0.00 -0.06 0.00 0.00 31.44 29.23 1j3k n GLU 25 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1j3k s GLY 26 N -3.51 2.02 0.00 8.31 0.00 -1.26 -5.13 107.32 107.75 1j3k s GLY 26 Ca 0.48 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1j3k s GLY 26 CO -0.19 -1.58 0.00 0.28 0.00 0.00 0.00 173.10 171.61 1j3k n LYS 27 N -1.75 1.02 0.00 2.90 4.01 -1.26 -5.05 118.16 118.04 1j3k n LYS 27 Ca 0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 1j3k n LYS 27 Cb 0.60 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.12 1j3k n LYS 27 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1j3k n LYS 28 N -0.21 0.00 -3.75 1.97 5.02 -1.26 -4.75 118.16 115.18 1j3k n LYS 28 Ca 0.00 0.65 -0.26 0.00 -2.02 0.00 0.00 58.31 56.67 1j3k n LYS 28 Cb 0.00 -1.30 -0.17 0.00 -0.02 0.00 0.00 35.03 33.54 1j3k n LYS 28 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1j3k s ASN 29 N -2.69 2.54 0.32 4.39 2.47 -1.26 -5.14 114.94 115.57 1j3k s ASN 29 Ca 0.00 -0.62 -0.26 0.00 0.42 0.00 0.00 52.86 52.41 1j3k s ASN 29 Cb 0.00 -0.55 -0.14 0.00 -1.45 0.00 0.00 41.25 39.11 1j3k s ASN 29 CO 0.00 -0.27 0.71 1.21 -3.72 0.00 0.00 177.10 175.03 1j3k n GLU 30 N 5.08 0.74 -4.38 0.43 2.13 -1.26 -5.08 120.64 118.30 1j3k n GLU 30 Ca -0.08 0.26 -0.30 0.00 0.66 0.00 0.00 57.16 57.70 1j3k n GLU 30 Cb 0.48 -1.52 -0.12 0.00 0.27 0.00 0.00 31.44 30.55 1j3k n GLU 30 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1j3k s VAL 31 N -1.21 2.84 0.18 6.31 1.01 -1.26 -5.15 120.40 123.12 1j3k s VAL 31 Ca 0.62 -1.43 0.09 0.00 0.00 0.00 0.00 61.98 61.25 1j3k s VAL 31 Cb -0.71 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1j3k s VAL 31 CO 0.58 0.15 -0.18 -0.36 0.00 0.00 0.00 175.10 175.29 1j3k s PHE 32 N -1.10 1.87 0.22 5.22 0.08 -1.26 -5.05 117.98 117.96 1j3k s PHE 32 Ca 0.17 -0.47 -0.22 0.00 0.12 0.00 0.00 56.93 56.54 1j3k s PHE 32 Cb -0.11 -0.91 0.06 0.00 -0.57 0.00 0.00 43.02 41.49 1j3k s PHE 32 CO 0.09 0.37 0.93 0.54 -0.10 0.00 0.00 175.22 177.05 1j3k s ASN 33 N -2.81 -0.10 0.47 1.36 2.20 -1.26 -5.03 114.94 109.77 1j3k s ASN 33 Ca 0.18 -0.64 0.22 0.00 -0.94 0.00 0.00 52.86 51.68 1j3k s ASN 33 Cb -0.05 0.58 1.24 0.00 -2.00 0.00 0.00 41.25 41.02 1j3k s ASN 33 CO 0.07 -1.11 1.91 0.78 -2.94 0.00 0.00 177.10 175.81 1j3k h ASN 34 N 2.00 0.22 0.29 3.54 2.35 -2.00 0.96 115.58 122.94 1j3k h ASN 34 Ca -0.26 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1j3k h ASN 34 Cb 1.23 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.58 1j3k h ASN 34 CO 0.31 0.10 0.00 0.00 -1.65 0.00 0.00 177.43 176.19 1j3k n TYR 35 N -4.42 0.02 0.01 1.19 9.36 -1.26 -2.45 117.16 119.61 1j3k n TYR 35 Ca 0.16 0.01 0.02 0.00 3.32 0.00 0.00 57.90 61.41 1j3k n TYR 35 Cb 0.70 -0.51 0.38 0.00 -0.63 0.00 0.00 39.34 39.28 1j3k n TYR 35 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 1j3k h THR 36 N 0.00 1.14 -3.48 2.97 2.02 -1.20 -3.32 112.91 111.05 1j3k h THR 36 Ca 0.00 -0.44 -0.77 0.00 0.77 0.00 0.00 66.41 65.97 1j3k h THR 36 Cb 0.15 0.71 -0.24 0.00 -1.74 0.00 0.00 68.15 67.02 1j3k h THR 36 CO 0.00 0.17 0.10 -0.36 0.37 0.00 0.00 175.52 175.80 1j3k s PHE 37 N -5.25 3.55 0.00 3.16 0.08 -1.03 -4.23 117.98 114.26 1j3k s PHE 37 Ca -0.08 -1.72 0.00 0.00 0.12 0.00 0.00 56.93 55.25 1j3k s PHE 37 Cb 0.17 -3.87 0.00 0.00 -0.57 0.00 0.00 43.02 38.74 1j3k s PHE 37 CO 0.74 -1.06 0.03 2.89 -0.10 0.00 0.00 175.22 177.72 1j3k n ARG 38 N 4.64 0.79 -2.01 0.44 1.85 -0.57 -4.76 116.66 117.03 1j3k n ARG 38 Ca 0.07 -0.03 -0.42 0.00 -1.00 0.00 0.00 57.85 56.47 1j3k n ARG 38 Cb 0.45 -0.27 -0.03 0.00 -1.05 0.00 0.00 32.46 31.57 1j3k n ARG 38 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1j3k s GLY 39 N -0.12 1.64 -0.15 2.89 0.00 -0.32 -1.30 107.32 109.97 1j3k s GLY 39 Ca 0.00 1.11 -0.04 0.00 0.00 0.00 0.00 44.72 45.79 1j3k s GLY 39 CO 0.00 2.78 -0.17 1.04 0.00 0.00 0.00 173.10 176.75 1j3k n LEU 40 N 5.52 1.82 -3.87 0.66 4.77 -0.39 -1.35 117.00 124.17 1j3k n LEU 40 Ca 0.15 0.08 -0.08 0.00 -0.03 0.00 0.00 56.01 56.14 1j3k n LEU 40 Cb 0.41 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1j3k n LEU 40 CO 0.61 0.48 0.45 -0.83 -1.33 0.00 0.00 177.39 176.77 1j3k s GLY 41 N -5.31 0.05 -0.12 -0.72 0.00 -0.93 -4.24 107.32 96.06 1j3k s GLY 41 Ca -0.20 -0.44 -0.04 0.00 0.00 0.00 0.00 44.72 44.05 1j3k s GLY 41 CO 0.29 -0.18 0.16 0.21 0.00 0.00 0.00 173.10 173.58 1j3k s ASN 42 N -2.95 1.04 -1.16 1.64 2.47 0.79 -1.25 114.94 115.53 1j3k s ASN 42 Ca 0.13 0.12 -0.23 0.00 0.42 0.00 0.00 52.86 53.30 1j3k s ASN 42 Cb -0.05 0.24 0.00 0.00 -1.45 0.00 0.00 41.25 39.98 1j3k s ASN 42 CO 0.08 -0.27 0.77 0.29 -3.72 0.00 0.00 177.10 174.24 1j3k n LYS 43 N 5.32 -1.08 -0.41 0.43 5.02 -1.26 -1.94 118.16 124.25 1j3k n LYS 43 Ca -0.05 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1j3k n LYS 43 Cb 0.50 -3.83 0.00 0.00 -0.02 0.00 0.00 35.03 31.68 1j3k n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j3k n GLY 44 N -1.77 1.58 3.30 0.72 0.00 -1.26 -4.98 105.19 102.78 1j3k n GLY 44 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1j3k n GLY 44 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1j3k n VAL 45 N -2.00 0.00 -2.58 1.61 0.24 -0.82 -4.65 118.33 110.13 1j3k n VAL 45 Ca 0.00 -2.33 -0.40 0.00 -2.04 0.00 0.00 64.34 59.57 1j3k n VAL 45 Cb 0.00 0.81 -0.05 0.00 -1.47 0.00 0.00 33.84 33.13 1j3k n VAL 45 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1j3k s LEU 46 N 0.00 4.56 0.53 1.34 1.43 -1.26 -0.15 118.68 125.13 1j3k s LEU 46 Ca 0.19 2.11 0.25 0.00 -1.03 0.00 0.00 54.13 55.65 1j3k s LEU 46 Cb 0.01 -3.61 1.39 0.00 0.03 0.00 0.00 46.19 44.00 1j3k s LEU 46 CO 0.13 -0.07 1.98 -0.65 0.23 0.00 0.00 176.35 177.97 1j3k h PRO 47 N 4.35 0.02 -6.20 1.29 0.11 -1.85 -3.43 132.00 126.30 1j3k h PRO 47 Ca -0.45 -0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.15 1j3k h PRO 47 Cb 1.21 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1j3k h PRO 47 CO 0.69 0.01 -0.53 1.67 -0.21 0.00 0.00 178.00 179.63 1j3k s TRP 48 N -5.03 3.12 0.02 0.65 -2.14 -1.26 -4.70 118.94 109.59 1j3k s TRP 48 Ca -0.05 -0.10 -0.14 0.00 2.66 0.00 0.00 56.10 58.47 1j3k s TRP 48 Cb 0.20 -1.41 -0.08 0.00 -3.10 0.00 0.00 33.47 29.08 1j3k s TRP 48 CO 0.74 0.52 1.12 0.87 -2.66 0.00 0.00 176.95 177.54 1j3k h LYS 49 N 1.55 -0.48 -1.48 3.25 1.79 -2.00 -3.46 116.57 115.73 1j3k h LYS 49 Ca -0.48 0.03 0.12 0.00 -2.18 0.00 0.00 60.65 58.14 1j3k h LYS 49 Cb 1.24 0.11 -0.23 0.00 -1.58 0.00 0.00 32.23 31.77 1j3k h LYS 49 CO 0.61 -0.32 0.10 0.00 -1.08 0.00 0.00 179.45 178.75 1j3k s ILE 51 N 2.47 2.46 0.37 0.00 1.01 -1.26 -4.76 121.20 121.49 1j3k s ILE 51 Ca -0.05 -3.29 0.12 0.00 0.00 0.00 0.00 60.65 57.43 1j3k s ILE 51 Cb -0.08 -2.71 0.34 0.00 0.01 0.00 0.00 42.46 40.02 1j3k s ILE 51 CO -0.18 -0.82 1.85 0.77 0.00 0.00 0.00 174.94 176.56 1j3k h SER 52 N 6.45 0.58 -0.59 3.58 4.64 -1.99 -2.05 113.55 124.19 1j3k h SER 52 Ca -0.06 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1j3k h SER 52 Cb 0.89 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.89 1j3k h SER 52 CO 0.67 0.26 0.28 0.25 -0.87 0.00 0.00 176.83 177.42 1j3k h LEU 53 N 0.60 0.77 -1.25 5.97 5.85 -1.93 0.39 115.31 125.70 1j3k h LEU 53 Ca 0.48 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.99 1j3k h LEU 53 Cb 0.91 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1j3k h LEU 53 CO -0.22 0.69 -0.27 -0.78 -0.34 0.00 0.00 178.44 177.51 1j3k h ASP 54 N 0.80 0.16 -0.06 1.25 3.58 -1.82 -1.25 116.42 119.09 1j3k h ASP 54 Ca 0.20 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 1j3k h ASP 54 Cb 0.12 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 1j3k h ASP 54 CO -0.02 0.44 0.01 0.24 -2.88 0.00 0.00 179.24 177.02 1j3k h MET 55 N 0.15 0.09 -0.68 0.28 2.86 -0.94 -1.27 114.93 115.42 1j3k h MET 55 Ca 0.02 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1j3k h MET 55 Cb 0.56 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1j3k h MET 55 CO 0.04 0.31 0.45 -0.22 1.06 0.00 0.00 176.91 178.55 1j3k h LYS 56 N -0.14 0.88 0.27 1.72 3.64 -0.64 -1.41 116.57 120.89 1j3k h LYS 56 Ca 0.02 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1j3k h LYS 56 Cb 0.26 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1j3k h LYS 56 CO 0.00 0.58 -0.13 -0.92 -2.27 0.00 0.00 179.45 176.71 1j3k h TYR 57 N 0.90 -0.34 -0.51 1.91 3.20 -1.03 -1.91 116.97 119.20 1j3k h TYR 57 Ca 0.25 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.22 1j3k h TYR 57 Cb -0.08 0.11 -0.09 0.00 1.54 0.00 0.00 36.73 38.21 1j3k h TYR 57 CO -0.00 0.01 -0.06 0.35 -1.64 0.00 0.00 178.16 176.83 1j3k h PHE 58 N -0.77 -0.14 0.42 -3.82 3.57 -1.08 0.48 116.94 115.61 1j3k h PHE 58 Ca -0.04 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1j3k h PHE 58 Cb 0.50 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1j3k h PHE 58 CO 0.04 -0.17 -0.21 -0.09 -2.23 0.00 0.00 178.31 175.65 1j3k h ARG 59 N 0.06 -0.55 -0.71 1.11 2.43 -1.28 0.27 114.38 115.71 1j3k h ARG 59 Ca 0.26 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.59 1j3k h ARG 59 Cb 0.39 0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 29.98 1j3k h ARG 59 CO -0.47 -0.37 0.28 0.00 -1.51 0.00 0.00 179.97 177.89 1j3k h ALA 60 N 0.01 0.97 -0.31 2.80 0.00 -0.58 -0.26 119.26 121.89 1j3k h ALA 60 Ca -0.06 0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 1j3k h ALA 60 Cb 0.44 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1j3k h ALA 60 CO 0.09 -0.19 -0.52 0.28 0.00 0.00 0.00 179.25 178.91 1j3k h VAL 61 N 0.44 1.27 0.00 0.00 2.07 -0.73 -2.39 116.25 116.91 1j3k h VAL 61 Ca 0.38 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1j3k h VAL 61 Cb 0.53 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1j3k h VAL 61 CO -0.37 0.56 0.00 0.71 0.02 0.00 0.00 177.57 178.49 1j3k h THR 62 N 0.69 0.00 -0.02 2.57 1.35 -0.40 -3.29 112.91 113.82 1j3k h THR 62 Ca 0.02 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1j3k h THR 62 Cb 1.13 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1j3k h THR 62 CO 0.12 0.00 -0.01 0.35 -0.25 0.00 0.00 175.52 175.73 1j3k n THR 63 N -2.69 0.00 -2.81 6.82 -2.24 -0.16 -4.63 114.28 108.57 1j3k n THR 63 Ca 0.04 -0.50 -0.40 0.00 -2.27 0.00 0.00 64.05 60.92 1j3k n THR 63 Cb 0.45 1.30 -0.05 0.00 -2.10 0.00 0.00 70.33 69.93 1j3k n THR 63 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1j3k s TYR 64 N -1.22 3.86 -0.00 4.78 5.04 -0.90 -4.90 117.35 124.01 1j3k s TYR 64 Ca 0.17 1.75 -0.05 0.00 -2.44 0.00 0.00 57.07 56.50 1j3k s TYR 64 Cb 0.12 -2.95 -0.00 0.00 0.35 0.00 0.00 41.96 39.48 1j3k s TYR 64 CO 0.18 0.33 0.10 0.08 -1.34 0.00 0.00 175.55 174.91 1j3k s VAL 65 N -0.50 0.07 -0.39 3.14 1.01 -1.26 -4.88 120.40 117.58 1j3k s VAL 65 Ca 0.42 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1j3k s VAL 65 Cb -0.24 -0.34 0.11 0.00 0.00 0.00 0.00 36.38 35.92 1j3k s VAL 65 CO 0.29 -0.32 0.13 0.21 0.00 0.00 0.00 175.10 175.41 1j3k s ASN 66 N -1.07 4.43 0.36 3.32 3.84 -1.26 -5.00 114.94 119.55 1j3k s ASN 66 Ca -0.12 -2.35 0.08 0.00 0.21 0.00 0.00 52.86 50.68 1j3k s ASN 66 Cb -0.07 -1.46 0.79 0.00 -0.55 0.00 0.00 41.25 39.96 1j3k s ASN 66 CO 0.01 -0.33 1.90 -0.33 -2.79 0.00 0.00 177.10 175.56 1j3k h GLU 67 N 7.30 0.70 0.00 0.43 5.08 -2.00 -0.91 114.58 125.18 1j3k h GLU 67 Ca -0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1j3k h GLU 67 Cb 0.98 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1j3k h GLU 67 CO 0.55 0.46 0.00 -1.13 -1.00 0.00 0.00 179.01 177.89 1j3k n SER 68 N -4.52 0.00 -0.00 1.42 3.41 -1.26 -2.08 113.62 110.58 1j3k n SER 68 Ca 0.15 -0.80 0.01 0.00 -0.26 0.00 0.00 58.87 57.97 1j3k n SER 68 Cb 0.38 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.32 1j3k n SER 68 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1j3k n LYS 69 N -0.76 5.94 0.22 4.33 5.02 -0.35 -4.78 118.16 127.77 1j3k n LYS 69 Ca 0.07 -0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.21 1j3k n LYS 69 Cb 0.03 -0.62 -0.08 0.00 -0.02 0.00 0.00 35.03 34.34 1j3k n LYS 69 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1j3k h TYR 70 N 0.00 -0.48 -0.85 2.13 3.20 -1.36 -3.17 116.97 116.43 1j3k h TYR 70 Ca 0.00 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.08 1j3k h TYR 70 Cb 0.05 0.16 -0.14 0.00 1.54 0.00 0.00 36.73 38.34 1j3k h TYR 70 CO 0.00 -0.24 0.14 1.49 -1.64 0.00 0.00 178.16 177.92 1j3k h GLU 71 N -0.62 0.15 -0.76 1.82 4.57 -1.87 0.78 114.58 118.65 1j3k h GLU 71 Ca -0.05 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.17 1j3k h GLU 71 Cb 0.46 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.97 1j3k h GLU 71 CO 0.09 0.10 0.50 -0.22 -1.18 0.00 0.00 179.01 178.30 1j3k h LYS 72 N 0.16 0.83 0.01 1.92 3.64 -1.88 0.27 116.57 121.51 1j3k h LYS 72 Ca 0.51 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.64 1j3k h LYS 72 Cb 1.01 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1j3k h LYS 72 CO -0.69 0.55 -0.91 -0.07 -2.27 0.00 0.00 179.45 176.07 1j3k h LEU 73 N 0.86 0.21 0.45 5.20 3.38 0.36 -2.56 115.31 123.21 1j3k h LEU 73 Ca 0.32 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1j3k h LEU 73 Cb 0.17 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1j3k h LEU 73 CO -0.10 1.01 -0.22 0.50 0.09 0.00 0.00 178.44 179.72 1j3k h LYS 74 N 0.08 -0.58 -1.15 1.13 3.64 0.84 -1.24 116.57 119.29 1j3k h LYS 74 Ca -0.04 0.04 0.32 0.00 -1.27 0.00 0.00 60.65 59.70 1j3k h LYS 74 Cb 1.56 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 33.44 1j3k h LYS 74 CO 0.13 -0.31 0.79 -0.92 -2.27 0.00 0.00 179.45 176.87 1j3k h TYR 75 N -0.77 0.29 0.11 1.91 3.20 -0.53 -1.67 116.97 119.51 1j3k h TYR 75 Ca -0.06 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.67 1j3k h TYR 75 Cb 0.54 -0.08 0.02 0.00 1.54 0.00 0.00 36.73 38.75 1j3k h TYR 75 CO -0.01 0.01 -0.66 -0.22 -1.64 0.00 0.00 178.16 175.64 1j3k h LYS 76 N 0.16 0.24 0.20 1.82 3.64 -1.00 -3.32 116.57 118.31 1j3k h LYS 76 Ca 0.60 -0.41 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1j3k h LYS 76 Cb 2.01 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.99 1j3k h LYS 76 CO -0.15 1.20 -0.10 0.00 -2.27 0.00 0.00 179.45 178.13 1j3k h ARG 77 N -0.49 -0.26 0.56 1.90 3.08 -0.29 -2.53 114.38 116.35 1j3k h ARG 77 Ca -0.11 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1j3k h ARG 77 Cb 1.52 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.63 1j3k h ARG 77 CO 0.12 -0.01 -0.34 0.00 -1.07 0.00 0.00 179.97 178.68 1j3k h LYS 79 N -0.85 0.11 0.06 0.00 3.64 -1.66 -2.92 116.57 114.96 1j3k h LYS 79 Ca -0.07 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1j3k h LYS 79 Cb 0.68 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1j3k h LYS 79 CO 0.08 0.07 -0.03 -0.92 -2.27 0.00 0.00 179.45 176.38 1j3k h TYR 80 N 0.11 -0.07 0.00 1.91 3.20 -0.94 -3.52 116.97 117.67 1j3k h TYR 80 Ca 0.58 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.45 1j3k h TYR 80 Cb 1.21 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.51 1j3k h TYR 80 CO -0.34 -0.04 0.00 -0.11 -1.64 0.00 0.00 178.16 176.03 1j3k n LEU 81 N -2.44 0.00 0.00 2.82 7.94 0.74 -5.10 117.00 120.96 1j3k n LEU 81 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1j3k n LEU 81 Cb 0.03 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.98 1j3k n LEU 81 CO 0.02 0.00 0.00 -0.81 -1.11 0.00 0.00 177.39 175.49 1j3k n PRO 93 N 0.00 0.00 0.25 1.96 -0.04 -1.26 -5.04 135.00 130.88 1j3k n PRO 93 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 1j3k n PRO 93 Cb 0.00 -0.40 -0.05 0.00 -0.04 0.00 0.00 33.50 33.01 1j3k n PRO 93 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1j3k h ASN 94 N 0.00 -0.55 -3.68 3.54 -0.73 -2.05 -3.38 115.58 108.74 1j3k h ASN 94 Ca 0.00 0.02 -0.69 0.00 1.87 0.00 0.00 56.30 57.50 1j3k h ASN 94 Cb 0.00 0.14 -0.33 0.00 0.27 0.00 0.00 38.32 38.40 1j3k h ASN 94 CO 0.00 -0.39 -0.65 -0.94 -0.37 0.00 0.00 177.43 175.08 1j3k s SER 95 N -2.95 5.04 0.62 1.15 1.04 -1.26 -4.97 113.70 112.37 1j3k s SER 95 Ca -0.09 -1.50 0.34 0.00 0.48 0.00 0.00 55.95 55.17 1j3k s SER 95 Cb 0.01 -1.76 1.83 0.00 0.10 0.00 0.00 66.02 66.20 1j3k s SER 95 CO 0.28 -0.35 2.02 0.11 0.98 0.00 0.00 173.24 176.29 1j3k h LYS 96 N 8.03 0.00 -4.93 4.02 1.79 -2.05 -3.39 116.57 120.03 1j3k h LYS 96 Ca -0.18 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.70 1j3k h LYS 96 Cb 1.06 0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 31.38 1j3k h LYS 96 CO 0.59 0.00 -0.84 0.15 -1.08 0.00 0.00 179.45 178.26 1j3k s LYS 97 N -4.02 2.26 0.43 3.15 1.02 -1.26 -4.97 119.74 116.35 1j3k s LYS 97 Ca -0.04 -0.62 -0.23 0.00 0.02 0.00 0.00 55.97 55.10 1j3k s LYS 97 Cb 0.10 -1.78 -0.08 0.00 -0.52 0.00 0.00 37.83 35.54 1j3k s LYS 97 CO 0.31 0.11 1.10 -1.17 -0.92 0.00 0.00 175.35 174.77 1j3k s LEU 98 N 0.48 4.06 0.23 3.17 2.96 -1.26 -5.05 118.68 123.27 1j3k s LEU 98 Ca -0.16 2.14 -0.02 0.00 -0.22 0.00 0.00 54.13 55.87 1j3k s LEU 98 Cb -0.16 -4.25 -0.03 0.00 0.50 0.00 0.00 46.19 42.25 1j3k s LEU 98 CO 0.06 -0.70 0.22 -1.10 -1.32 0.00 0.00 176.35 173.51 1j3k s GLN 99 N -2.66 1.37 0.20 1.98 -0.21 -1.26 -4.95 119.66 114.13 1j3k s GLN 99 Ca 0.61 -1.63 0.04 0.00 0.02 0.00 0.00 55.36 54.40 1j3k s GLN 99 Cb -0.24 0.32 -0.03 0.00 1.00 0.00 0.00 33.01 34.05 1j3k s GLN 99 CO 0.30 -0.49 0.32 -0.80 -2.12 0.00 0.00 175.29 172.50 1j3k s ASN 100 N -3.17 6.30 -0.20 5.90 0.01 -1.26 0.08 114.94 122.60 1j3k s ASN 100 Ca 0.36 0.11 -0.07 0.00 -0.71 0.00 0.00 52.86 52.55 1j3k s ASN 100 Cb 0.05 -1.87 -0.03 0.00 0.41 0.00 0.00 41.25 39.81 1j3k s ASN 100 CO 0.14 -0.01 0.05 -0.69 -1.51 0.00 0.00 177.10 175.08 1j3k s VAL 101 N -1.87 4.46 -0.30 1.60 1.01 0.92 -0.74 120.40 125.48 1j3k s VAL 101 Ca 0.34 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 1j3k s VAL 101 Cb -0.10 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.29 1j3k s VAL 101 CO 0.29 0.42 0.03 0.68 0.00 0.00 0.00 175.10 176.52 1j3k s VAL 102 N 0.79 3.38 -0.30 2.92 -7.23 -0.55 0.71 120.40 120.12 1j3k s VAL 102 Ca 0.03 -1.10 -0.17 0.00 -1.81 0.00 0.00 61.98 58.93 1j3k s VAL 102 Cb -0.14 -2.85 -0.02 0.00 0.56 0.00 0.00 36.38 33.93 1j3k s VAL 102 CO 0.02 -0.03 0.45 -0.69 -0.31 0.00 0.00 175.10 174.54 1j3k s VAL 103 N 1.36 5.10 0.07 1.32 1.01 0.23 -1.88 120.40 127.61 1j3k s VAL 103 Ca -0.02 0.49 0.03 0.00 0.00 0.00 0.00 61.98 62.48 1j3k s VAL 103 Cb -0.19 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1j3k s VAL 103 CO 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 175.10 175.00 1j3k s MET 104 N 2.22 0.72 0.59 2.72 0.23 -1.02 -0.87 119.30 123.90 1j3k s MET 104 Ca 0.17 -1.03 -0.09 0.00 -1.03 0.00 0.00 55.69 53.71 1j3k s MET 104 Cb -0.16 -0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 32.73 1j3k s MET 104 CO 0.11 0.05 0.97 0.20 -2.03 0.00 0.00 175.02 174.32 1j3k s GLY 105 N -2.20 1.61 0.12 3.16 0.00 -0.49 -1.97 107.32 107.56 1j3k s GLY 105 Ca 0.00 -0.26 -0.24 0.00 0.00 0.00 0.00 44.72 44.22 1j3k s GLY 105 CO -0.01 -0.01 1.65 -0.09 0.00 0.00 0.00 173.10 174.65 1j3k h ARG 106 N -0.21 -0.28 -0.41 2.90 2.43 -1.83 0.65 114.38 117.63 1j3k h ARG 106 Ca -0.45 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 58.82 1j3k h ARG 106 Cb 1.20 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 30.73 1j3k h ARG 106 CO 0.62 -0.19 -0.34 1.15 -1.51 0.00 0.00 179.97 179.71 1j3k h THR 107 N -0.29 0.21 -0.79 0.20 2.02 -1.94 0.84 112.91 113.16 1j3k h THR 107 Ca 0.07 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.27 1j3k h THR 107 Cb 0.39 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1j3k h THR 107 CO -0.22 0.00 0.52 -1.13 0.37 0.00 0.00 175.52 175.06 1j3k h ASN 108 N -0.26 0.87 -0.99 4.18 -1.24 -1.76 -1.07 115.58 115.32 1j3k h ASN 108 Ca 0.17 -0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.20 1j3k h ASN 108 Cb 0.54 -0.21 -0.06 0.00 0.73 0.00 0.00 38.32 39.33 1j3k h ASN 108 CO -0.55 0.62 0.65 -0.25 -1.29 0.00 0.00 177.43 176.61 1j3k h TRP 109 N 1.03 1.22 -0.03 0.67 2.91 0.40 -1.87 115.95 120.27 1j3k h TRP 109 Ca 0.30 0.03 -0.13 0.00 1.13 0.00 0.00 58.89 60.22 1j3k h TRP 109 Cb -0.06 -0.41 -0.02 0.00 -0.51 0.00 0.00 29.16 28.17 1j3k h TRP 109 CO -0.02 0.72 -0.57 0.93 -1.03 0.00 0.00 178.44 178.46 1j3k h GLU 110 N 1.27 0.10 -0.31 2.65 5.08 0.13 -3.14 114.58 120.35 1j3k h GLU 110 Ca 0.39 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.61 1j3k h GLU 110 Cb -0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1j3k h GLU 110 CO -0.11 0.64 -0.12 0.66 -1.00 0.00 0.00 179.01 179.08 1j3k h SER 111 N 0.07 0.51 -3.55 1.42 4.64 -0.38 -3.44 113.55 112.81 1j3k h SER 111 Ca -0.00 -0.13 -0.57 0.00 -0.47 0.00 0.00 61.79 60.62 1j3k h SER 111 Cb 1.03 -0.14 0.13 0.00 -0.31 0.00 0.00 62.40 63.12 1j3k h SER 111 CO 0.08 0.67 0.41 -0.38 -0.87 0.00 0.00 176.83 176.73 1j3k n ILE 112 N -4.20 2.92 -1.10 0.95 5.41 -1.09 -4.97 119.36 117.28 1j3k n ILE 112 Ca 0.01 -0.50 -0.24 0.00 1.00 0.00 0.00 62.75 63.01 1j3k n ILE 112 Cb 0.33 -1.46 0.20 0.00 -0.71 0.00 0.00 39.64 38.00 1j3k n ILE 112 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1j3k n PRO 113 N -0.27 -2.45 0.15 0.38 -0.02 -1.26 -4.98 135.00 126.55 1j3k n PRO 113 Ca 0.09 -1.48 -0.11 0.00 -2.02 0.00 0.00 63.50 59.97 1j3k n PRO 113 Cb 0.41 -1.30 -0.07 0.00 -0.02 0.00 0.00 33.50 32.52 1j3k n PRO 113 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1j3k h LYS 114 N 0.00 -0.42 0.00 -0.52 6.56 -1.95 -3.32 116.57 116.91 1j3k h LYS 114 Ca -0.34 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.28 1j3k h LYS 114 Cb 1.02 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.78 1j3k h LYS 114 CO 0.23 -0.11 0.00 1.63 -2.06 0.00 0.00 179.45 179.14 1j3k n LYS 115 N -5.09 0.17 0.00 3.15 4.76 -1.26 -2.87 118.16 117.02 1j3k n LYS 115 Ca -0.08 0.17 0.07 0.00 -2.87 0.00 0.00 58.31 55.60 1j3k n LYS 115 Cb 0.26 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 31.99 1j3k n LYS 115 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1j3k n PHE 116 N -1.28 0.00 -4.34 2.13 3.72 -1.25 -4.97 117.46 111.47 1j3k n PHE 116 Ca 0.05 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.11 1j3k n PHE 116 Cb 0.09 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.53 1j3k n PHE 116 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1j3k s LYS 117 N -1.41 3.22 0.44 -1.08 1.02 -1.14 -2.24 119.74 118.55 1j3k s LYS 117 Ca 0.14 -0.42 -0.17 0.00 0.02 0.00 0.00 55.97 55.55 1j3k s LYS 117 Cb 0.12 -2.86 -0.09 0.00 -0.52 0.00 0.00 37.83 34.48 1j3k s LYS 117 CO 0.25 0.57 0.90 -1.25 -0.92 0.00 0.00 175.35 174.89 1j3k s PRO 118 N -0.51 4.02 -0.38 -1.68 0.04 -1.26 -5.02 135.00 130.21 1j3k s PRO 118 Ca 0.09 0.88 -0.40 0.00 0.04 0.00 0.00 61.00 61.60 1j3k s PRO 118 Cb -0.12 -2.24 -0.16 0.00 0.04 0.00 0.00 34.50 32.02 1j3k s PRO 118 CO 0.02 -0.08 1.97 1.28 0.04 0.00 0.00 177.00 180.23 1j3k n LEU 119 N -1.03 1.77 -4.56 -3.56 4.77 -0.95 -4.85 117.00 108.60 1j3k n LEU 119 Ca 0.05 0.78 -0.38 0.00 -0.03 0.00 0.00 56.01 56.43 1j3k n LEU 119 Cb 0.54 -1.09 0.05 0.00 -2.33 0.00 0.00 43.42 40.59 1j3k n LEU 119 CO 0.43 -0.65 0.35 -1.54 -1.33 0.00 0.00 177.39 174.64 1j3k n SER 120 N 7.21 0.01 -1.81 -1.43 3.41 -1.26 -2.52 113.62 117.23 1j3k n SER 120 Ca 0.39 0.77 -0.16 0.00 -0.26 0.00 0.00 58.87 59.61 1j3k n SER 120 Cb 0.10 -1.30 -0.05 0.00 -0.26 0.00 0.00 64.21 62.70 1j3k n SER 120 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1j3k n ASN 121 N -0.32 -4.37 -3.96 4.04 5.03 -1.26 -4.95 115.26 109.46 1j3k n ASN 121 Ca 0.13 0.29 -0.13 0.00 0.87 0.00 0.00 54.58 55.74 1j3k n ASN 121 Cb 0.48 -3.87 -0.13 0.00 -1.02 0.00 0.00 39.78 35.24 1j3k n ASN 121 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1j3k s ARG 122 N -3.96 0.29 -0.75 3.52 0.52 -1.05 -4.42 118.95 113.10 1j3k s ARG 122 Ca 0.00 -0.32 -0.23 0.00 -0.52 0.00 0.00 55.73 54.66 1j3k s ARG 122 Cb 0.00 -0.16 0.07 0.00 0.52 0.00 0.00 34.95 35.38 1j3k s ARG 122 CO 0.00 0.03 1.11 0.42 0.02 0.00 0.00 175.30 176.88 1j3k s ILE 123 N -0.59 4.21 0.20 1.52 1.01 0.08 -4.80 121.20 122.83 1j3k s ILE 123 Ca -0.04 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 1j3k s ILE 123 Cb -0.05 -4.79 -0.08 0.00 0.01 0.00 0.00 42.46 37.55 1j3k s ILE 123 CO -0.00 -1.60 1.14 0.20 0.00 0.00 0.00 174.94 174.68 1j3k s ASN 124 N 3.82 7.18 0.05 3.58 0.02 -1.26 -1.48 114.94 126.84 1j3k s ASN 124 Ca 0.29 2.19 0.04 0.00 -1.02 0.00 0.00 52.86 54.36 1j3k s ASN 124 Cb -0.11 -2.61 -0.02 0.00 0.02 0.00 0.00 41.25 38.52 1j3k s ASN 124 CO 0.06 -0.27 -0.12 -0.69 0.02 0.00 0.00 177.10 176.10 1j3k s VAL 125 N -0.35 0.88 -0.02 1.60 1.01 -0.79 -2.96 120.40 119.77 1j3k s VAL 125 Ca 0.50 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1j3k s VAL 125 Cb -0.31 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1j3k s VAL 125 CO 0.37 -0.19 -0.03 -0.63 0.00 0.00 0.00 175.10 174.62 1j3k s ILE 126 N -1.12 0.32 -0.23 2.22 1.01 -1.19 -2.43 121.20 119.78 1j3k s ILE 126 Ca -0.03 -0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.43 1j3k s ILE 126 Cb -0.09 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 1j3k s ILE 126 CO 0.01 0.15 0.28 -0.76 0.00 0.00 0.00 174.94 174.62 1j3k s LEU 127 N 0.59 4.12 -0.28 2.97 1.02 -0.83 -1.12 118.68 125.15 1j3k s LEU 127 Ca -0.06 0.29 -0.24 0.00 0.02 0.00 0.00 54.13 54.13 1j3k s LEU 127 Cb -0.10 -2.30 0.10 0.00 0.02 0.00 0.00 46.19 43.91 1j3k s LEU 127 CO -0.01 -0.02 0.91 -0.55 0.02 0.00 0.00 176.35 176.70 1j3k s SER 128 N 1.12 -0.57 0.00 2.29 0.15 -1.08 -2.40 113.70 113.21 1j3k s SER 128 Ca 0.13 1.10 0.24 0.00 0.70 0.00 0.00 55.95 58.11 1j3k s SER 128 Cb -0.14 1.12 0.27 0.00 -1.71 0.00 0.00 66.02 65.56 1j3k s SER 128 CO 0.07 -0.19 1.31 0.54 1.20 0.00 0.00 173.24 176.17 1j3k n ARG 129 N 2.49 2.39 -0.03 5.44 1.74 -1.26 -4.32 116.66 123.10 1j3k n ARG 129 Ca -0.13 -2.05 -0.04 0.00 -0.77 0.00 0.00 57.85 54.86 1j3k n ARG 129 Cb 0.56 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 1j3k n ARG 129 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1j3k n THR 130 N 1.40 0.37 -1.25 0.55 -2.24 -1.26 -5.07 114.28 106.77 1j3k n THR 130 Ca 0.16 -0.17 -0.33 0.00 -2.27 0.00 0.00 64.05 61.44 1j3k n THR 130 Cb 0.60 -0.77 0.11 0.00 -2.10 0.00 0.00 70.33 68.17 1j3k n THR 130 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1j3k s LEU 131 N -5.10 3.17 -0.11 3.22 1.43 -1.26 -5.04 118.68 114.98 1j3k s LEU 131 Ca -0.07 2.21 0.02 0.00 -1.03 0.00 0.00 54.13 55.26 1j3k s LEU 131 Cb 0.02 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.68 1j3k s LEU 131 CO 0.17 -2.39 -0.17 -1.59 0.23 0.00 0.00 176.35 172.61 1j3k s LYS 132 N -4.24 2.35 0.47 1.70 -2.85 -1.26 -5.02 119.74 110.88 1j3k s LYS 132 Ca 0.70 -0.61 0.32 0.00 -1.00 0.00 0.00 55.97 55.38 1j3k s LYS 132 Cb -0.25 -1.95 1.42 0.00 -2.06 0.00 0.00 37.83 34.99 1j3k s LYS 132 CO 0.49 -0.03 1.70 0.87 0.10 0.00 0.00 175.35 178.49 1j3k h LYS 133 N 7.31 0.12 0.80 1.78 1.57 -1.96 -3.30 116.57 122.90 1j3k h LYS 133 Ca -0.30 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 1j3k h LYS 133 Cb 1.18 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.47 1j3k h LYS 133 CO 0.50 0.08 -0.39 1.05 -0.57 0.00 0.00 179.45 180.12 1j3k h GLU 134 N 0.13 -1.04 -0.22 3.15 4.11 -1.96 -2.91 114.58 115.84 1j3k h GLU 134 Ca 0.71 0.07 0.00 0.00 0.07 0.00 0.00 59.36 60.21 1j3k h GLU 134 Cb 2.40 0.24 0.00 0.00 0.50 0.00 0.00 28.75 31.88 1j3k h GLU 134 CO -0.22 -0.68 0.00 -0.40 0.07 0.00 0.00 179.01 177.78 1j3k n ASP 135 N -5.54 0.22 -4.88 3.06 5.68 -1.24 -4.61 116.55 109.24 1j3k n ASP 135 Ca -0.15 -0.83 -0.27 0.00 -0.50 0.00 0.00 54.79 53.04 1j3k n ASP 135 Cb 0.43 -0.11 -0.02 0.00 -1.14 0.00 0.00 41.12 40.29 1j3k n ASP 135 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 1j3k s PHE 136 N -1.46 1.63 0.16 2.11 0.08 -1.10 -5.12 117.98 114.28 1j3k s PHE 136 Ca 0.00 -0.87 -0.16 0.00 0.12 0.00 0.00 56.93 56.02 1j3k s PHE 136 Cb 0.00 -1.86 -0.07 0.00 -0.57 0.00 0.00 43.02 40.51 1j3k s PHE 136 CO 0.00 -0.38 0.61 -0.51 -0.10 0.00 0.00 175.22 174.83 1j3k s ASP 137 N -4.23 6.92 0.58 1.36 1.01 -1.26 -4.93 116.67 116.11 1j3k s ASP 137 Ca 0.29 1.20 0.28 0.00 0.71 0.00 0.00 52.55 55.03 1j3k s ASP 137 Cb -0.02 -2.34 1.73 0.00 1.01 0.00 0.00 42.92 43.31 1j3k s ASP 137 CO 0.18 0.09 2.22 -0.33 0.21 0.00 0.00 175.17 177.55 1j3k h GLU 138 N 3.59 0.00 -0.00 8.23 5.08 -1.92 -0.96 114.58 128.60 1j3k h GLU 138 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1j3k h GLU 138 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1j3k h GLU 138 CO 0.65 0.02 -0.01 -3.47 -1.00 0.00 0.00 179.01 175.20 1j3k n ASP 139 N -3.88 0.02 -4.03 1.42 -0.08 -1.26 -4.56 116.55 104.18 1j3k n ASP 139 Ca -0.03 0.01 -0.33 0.00 -1.51 0.00 0.00 54.79 52.93 1j3k n ASP 139 Cb 0.10 -0.33 -0.12 0.00 2.34 0.00 0.00 41.12 43.12 1j3k n ASP 139 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1j3k s VAL 140 N -2.69 3.13 1.15 5.18 1.01 -0.37 -4.70 120.40 123.11 1j3k s VAL 140 Ca 0.25 -3.05 -0.15 0.00 0.00 0.00 0.00 61.98 59.03 1j3k s VAL 140 Cb 0.20 -3.11 0.21 0.00 0.00 0.00 0.00 36.38 33.68 1j3k s VAL 140 CO 0.48 -0.82 0.60 -1.22 0.00 0.00 0.00 175.10 174.14 1j3k n TYR 141 N 3.41 -1.30 -3.61 5.22 4.01 -1.15 -4.69 117.16 119.04 1j3k n TYR 141 Ca 0.06 -0.02 -0.14 0.00 -0.16 0.00 0.00 57.90 57.64 1j3k n TYR 141 Cb 0.36 -1.65 -0.06 0.00 -0.31 0.00 0.00 39.34 37.67 1j3k n TYR 141 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1j3k s ILE 142 N -2.34 0.04 -0.02 -0.72 1.01 -1.26 -3.20 121.20 114.71 1j3k s ILE 142 Ca 0.63 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.87 1j3k s ILE 142 Cb -0.20 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.35 1j3k s ILE 142 CO 0.66 -0.17 0.24 0.27 0.00 0.00 0.00 174.94 175.94 1j3k s ILE 143 N -2.23 0.06 0.08 2.92 -4.36 -0.27 -4.88 121.20 112.51 1j3k s ILE 143 Ca -0.07 -0.48 0.15 0.00 -0.26 0.00 0.00 60.65 60.00 1j3k s ILE 143 Cb -0.01 -0.51 0.04 0.00 1.25 0.00 0.00 42.46 43.23 1j3k s ILE 143 CO -0.00 -0.26 1.56 0.78 0.24 0.00 0.00 174.94 177.26 1j3k h ASN 144 N 4.32 0.00 -4.87 4.36 2.35 -1.88 -2.87 115.58 117.00 1j3k h ASN 144 Ca -0.29 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.48 1j3k h ASN 144 Cb 1.19 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.42 1j3k h ASN 144 CO 0.39 0.54 0.31 -0.75 -1.65 0.00 0.00 177.43 176.28 1j3k s LYS 145 N -3.27 1.11 0.26 0.81 2.20 -1.26 -4.72 119.74 114.86 1j3k s LYS 145 Ca 0.01 -0.41 -0.06 0.00 -0.36 0.00 0.00 55.97 55.15 1j3k s LYS 145 Cb 0.10 0.51 0.47 0.00 -1.51 0.00 0.00 37.83 37.41 1j3k s LYS 145 CO 0.73 -0.49 1.61 0.28 -0.36 0.00 0.00 175.35 177.13 1j3k h VAL 146 N 2.00 0.24 -0.52 4.02 2.07 -2.02 0.82 116.25 122.85 1j3k h VAL 146 Ca -0.30 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.29 1j3k h VAL 146 Cb 1.29 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1j3k h VAL 146 CO 0.35 0.01 0.36 -0.33 0.02 0.00 0.00 177.57 177.98 1j3k h GLU 147 N 0.06 0.31 -0.20 1.57 5.08 -2.02 -1.43 114.58 117.96 1j3k h GLU 147 Ca 0.44 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.67 1j3k h GLU 147 Cb 0.79 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1j3k h GLU 147 CO -0.76 0.21 -0.36 -0.44 -1.00 0.00 0.00 179.01 176.66 1j3k h ASP 148 N 0.32 0.44 -0.21 1.42 3.32 -1.24 -3.16 116.42 117.31 1j3k h ASP 148 Ca 0.24 -0.18 0.05 0.00 0.02 0.00 0.00 57.03 57.17 1j3k h ASP 148 Cb 0.52 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.88 1j3k h ASP 148 CO -0.06 0.77 -0.38 0.25 -1.72 0.00 0.00 179.24 178.10 1j3k h LEU 149 N 0.36 -1.22 -1.84 1.55 5.85 -1.19 0.20 115.31 119.02 1j3k h LEU 149 Ca 0.04 0.18 0.35 0.00 0.84 0.00 0.00 57.88 59.29 1j3k h LEU 149 Cb 0.80 0.52 -0.06 0.00 0.37 0.00 0.00 40.66 42.29 1j3k h LEU 149 CO 0.06 -0.39 0.86 0.40 -0.34 0.00 0.00 178.44 179.04 1j3k h ILE 150 N -0.41 0.38 -0.02 4.05 1.08 -1.60 0.41 117.51 121.41 1j3k h ILE 150 Ca 0.10 -0.03 -0.12 0.00 -0.39 0.00 0.00 64.86 64.42 1j3k h ILE 150 Cb 0.59 0.29 0.01 0.00 -3.07 0.00 0.00 36.82 34.64 1j3k h ILE 150 CO -0.43 0.01 -0.46 0.58 -0.69 0.00 0.00 178.15 177.16 1j3k h VAL 151 N 0.08 1.46 -0.10 1.67 2.07 -0.75 -2.35 116.25 118.32 1j3k h VAL 151 Ca 0.61 -1.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.12 1j3k h VAL 151 Cb 2.25 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 34.59 1j3k h VAL 151 CO -0.09 0.57 -0.11 0.25 0.02 0.00 0.00 177.57 178.21 1j3k h LEU 152 N -0.21 0.13 -0.34 2.57 5.85 0.92 -1.54 115.31 122.70 1j3k h LEU 152 Ca -0.05 -0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.48 1j3k h LEU 152 Cb 1.17 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 1j3k h LEU 152 CO 0.09 0.27 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.94 1j3k h LEU 153 N 0.14 0.99 -1.84 2.25 3.38 -0.78 -2.74 115.31 116.71 1j3k h LEU 153 Ca 0.03 -0.49 0.15 0.00 0.09 0.00 0.00 57.88 57.66 1j3k h LEU 153 Cb 0.29 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1j3k h LEU 153 CO 0.02 1.29 0.43 1.23 0.09 0.00 0.00 178.44 181.49 1j3k h GLY 154 N 0.71 0.26 0.00 0.83 0.00 -0.71 -3.01 103.07 101.15 1j3k h GLY 154 Ca 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 1j3k h GLY 154 CO 0.11 0.02 -0.34 0.50 0.00 0.00 0.00 176.54 176.83 1j3k h LYS 155 N 0.16 0.00 -7.07 4.80 1.57 -1.39 -3.49 116.57 111.15 1j3k h LYS 155 Ca 0.30 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.55 1j3k h LYS 155 Cb 0.96 0.00 0.20 0.00 0.08 0.00 0.00 32.23 33.47 1j3k h LYS 155 CO -0.04 0.55 -0.02 1.28 -0.57 0.00 0.00 179.45 180.64 1j3k n LEU 156 N -4.62 2.42 -4.21 2.94 4.77 -1.05 -5.02 117.00 112.23 1j3k n LEU 156 Ca -0.11 0.45 -0.40 0.00 -0.03 0.00 0.00 56.01 55.92 1j3k n LEU 156 Cb 0.35 -1.39 -0.10 0.00 -2.33 0.00 0.00 43.42 39.95 1j3k n LEU 156 CO 0.17 -2.53 -0.09 0.20 -1.33 0.00 0.00 177.39 173.81 1j3k s ASN 157 N -2.25 5.57 0.08 -1.43 0.01 -1.26 -4.95 114.94 110.70 1j3k s ASN 157 Ca 0.66 -1.80 -0.01 0.00 -0.71 0.00 0.00 52.86 51.00 1j3k s ASN 157 Cb -0.25 -1.96 -0.04 0.00 0.41 0.00 0.00 41.25 39.41 1j3k s ASN 157 CO 0.59 -0.60 -0.00 -0.72 -1.51 0.00 0.00 177.10 174.85 1j3k s TYR 158 N 1.33 0.65 0.00 2.20 1.13 -1.26 -4.44 117.35 116.95 1j3k s TYR 158 Ca 0.05 -1.12 0.00 0.00 -1.41 0.00 0.00 57.07 54.59 1j3k s TYR 158 Cb -0.24 -0.42 0.00 0.00 -1.10 0.00 0.00 41.96 40.19 1j3k s TYR 158 CO -0.01 -0.42 0.00 0.98 -2.51 0.00 0.00 175.55 173.59 1j3k n TYR 159 N 0.04 0.00 -4.16 -3.49 9.36 0.11 -4.95 117.16 114.07 1j3k n TYR 159 Ca -0.11 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.00 1j3k n TYR 159 Cb 0.62 -0.41 -0.10 0.00 -0.63 0.00 0.00 39.34 38.82 1j3k n TYR 159 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1j3k s LYS 160 N -0.92 0.82 -0.23 2.98 1.02 -1.26 -4.92 119.74 117.24 1j3k s LYS 160 Ca 0.00 -1.29 -0.01 0.00 0.02 0.00 0.00 55.97 54.69 1j3k s LYS 160 Cb 0.00 -0.23 0.02 0.00 -0.52 0.00 0.00 37.83 37.10 1j3k s LYS 160 CO 0.00 -0.01 -0.10 0.00 -0.92 0.00 0.00 175.35 174.32 1j3k s PHE 162 N 1.33 3.15 -0.48 0.00 0.08 0.22 -0.14 117.98 122.15 1j3k s PHE 162 Ca 0.02 -0.18 -0.25 0.00 0.12 0.00 0.00 56.93 56.64 1j3k s PHE 162 Cb -0.15 -2.26 0.03 0.00 -0.57 0.00 0.00 43.02 40.07 1j3k s PHE 162 CO -0.06 -0.22 0.90 0.42 -0.10 0.00 0.00 175.22 176.16 1j3k s ILE 163 N 1.46 4.49 -2.12 0.64 -1.09 0.27 -0.60 121.20 124.26 1j3k s ILE 163 Ca 0.06 0.59 0.15 0.00 -2.23 0.00 0.00 60.65 59.22 1j3k s ILE 163 Cb -0.15 -4.43 0.37 0.00 -1.58 0.00 0.00 42.46 36.67 1j3k s ILE 163 CO 0.05 -0.87 1.39 0.18 -1.23 0.00 0.00 174.94 174.47 1j3k n LEU 164 N 7.13 1.63 0.00 2.97 4.77 -0.05 -2.44 117.00 131.02 1j3k n LEU 164 Ca 0.05 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1j3k n LEU 164 Cb 0.48 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1j3k n LEU 164 CO 0.63 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1j3k n GLY 165 N 1.06 -2.02 0.00 -0.72 0.00 -1.26 -4.95 105.19 97.30 1j3k n GLY 165 Ca 0.13 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1j3k n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j3k n GLY 166 N -0.04 0.82 0.23 -0.02 0.00 -1.26 -1.39 105.19 103.53 1j3k n GLY 166 Ca 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 46.02 44.50 1j3k n GLY 166 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1j3k h SER 167 N 0.00 -0.61 -0.21 1.61 0.87 -1.96 0.25 113.55 113.50 1j3k h SER 167 Ca 0.00 0.15 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1j3k h SER 167 Cb 0.00 0.34 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1j3k h SER 167 CO 0.00 -0.21 0.03 0.58 -0.53 0.00 0.00 176.83 176.70 1j3k h VAL 168 N -0.09 0.89 -0.18 2.23 2.07 -1.97 0.20 116.25 119.40 1j3k h VAL 168 Ca 0.21 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.74 1j3k h VAL 168 Cb 0.41 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1j3k h VAL 168 CO -0.48 0.02 -0.15 0.58 0.02 0.00 0.00 177.57 177.56 1j3k h VAL 169 N 0.11 0.58 -0.01 2.57 2.07 -1.67 -1.74 116.25 118.16 1j3k h VAL 169 Ca 0.10 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 1j3k h VAL 169 Cb 0.10 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1j3k h VAL 169 CO -0.14 0.00 -0.02 1.88 0.02 0.00 0.00 177.57 179.31 1j3k h TYR 170 N -0.16 -0.05 -0.11 1.57 0.05 0.04 -1.52 116.97 116.79 1j3k h TYR 170 Ca 0.11 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.94 1j3k h TYR 170 Cb 0.33 0.02 -0.06 0.00 1.01 0.00 0.00 36.73 38.03 1j3k h TYR 170 CO -0.29 -0.03 -0.31 0.37 -1.05 0.00 0.00 178.16 176.85 1j3k h GLN 171 N -0.03 -0.38 -0.17 4.88 5.75 -0.30 0.54 115.11 125.41 1j3k h GLN 171 Ca 0.01 0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1j3k h GLN 171 Cb 0.05 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 1j3k h GLN 171 CO -0.03 -0.25 0.04 1.05 -2.65 0.00 0.00 178.83 176.99 1j3k h GLU 172 N -0.39 0.26 -0.06 1.69 4.11 -1.27 0.52 114.58 119.43 1j3k h GLU 172 Ca 0.09 -0.06 0.02 0.00 0.07 0.00 0.00 59.36 59.48 1j3k h GLU 172 Cb 0.54 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1j3k h GLU 172 CO -0.34 0.40 0.05 0.74 0.07 0.00 0.00 179.01 179.93 1j3k h PHE 173 N 0.08 0.00 0.23 2.06 0.04 -1.10 0.37 116.94 118.61 1j3k h PHE 173 Ca 0.05 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.48 1j3k h PHE 173 Cb 0.25 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.43 1j3k h PHE 173 CO 0.01 0.00 -1.58 -0.07 -0.60 0.00 0.00 178.31 176.07 1j3k h LEU 174 N 0.00 0.76 0.79 1.54 3.38 -0.48 0.80 115.31 122.10 1j3k h LEU 174 Ca 0.03 -0.93 -0.04 0.00 0.09 0.00 0.00 57.88 57.03 1j3k h LEU 174 Cb 0.13 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.64 1j3k h LEU 174 CO -0.00 1.74 -0.38 -0.33 0.09 0.00 0.00 178.44 179.56 1j3k h GLU 175 N 0.12 -1.02 -0.08 1.13 5.08 0.13 -2.01 114.58 117.94 1j3k h GLU 175 Ca -0.29 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1j3k h GLU 175 Cb 2.13 0.23 0.00 0.00 0.50 0.00 0.00 28.75 31.62 1j3k h GLU 175 CO 0.24 -0.67 0.00 1.63 -1.00 0.00 0.00 179.01 179.20 1j3k n LYS 176 N -5.54 0.53 -4.01 2.33 5.02 0.12 -4.87 118.16 111.74 1j3k n LYS 176 Ca -0.15 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.83 1j3k n LYS 176 Cb 0.43 -1.04 -0.02 0.00 -0.02 0.00 0.00 35.03 34.38 1j3k n LYS 176 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1j3k n LYS 177 N -0.40 -1.82 -0.42 1.97 5.02 -0.76 -4.91 118.16 116.84 1j3k n LYS 177 Ca 0.00 0.28 0.09 0.00 -2.02 0.00 0.00 58.31 56.66 1j3k n LYS 177 Cb 0.02 -3.88 0.28 0.00 -0.02 0.00 0.00 35.03 31.44 1j3k n LYS 177 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1j3k n LEU 178 N -4.52 3.98 -4.50 -0.35 4.77 0.27 -4.80 117.00 111.84 1j3k n LEU 178 Ca -0.24 -2.29 -0.35 0.00 -0.03 0.00 0.00 56.01 53.10 1j3k n LEU 178 Cb 0.65 -0.46 -0.12 0.00 -2.33 0.00 0.00 43.42 41.16 1j3k n LEU 178 CO 0.76 0.82 -0.30 -0.63 -1.33 0.00 0.00 177.39 176.71 1j3k s ILE 179 N -1.53 4.29 -0.10 -0.08 -1.09 -1.25 -4.51 121.20 116.93 1j3k s ILE 179 Ca 0.42 -0.20 -0.06 0.00 -2.23 0.00 0.00 60.65 58.59 1j3k s ILE 179 Cb 0.26 -2.95 -0.27 0.00 -1.58 0.00 0.00 42.46 37.92 1j3k s ILE 179 CO 0.22 0.42 0.44 0.50 -1.23 0.00 0.00 174.94 175.29 1j3k h LYS 180 N 7.40 0.26 -3.35 2.79 3.64 -1.12 -3.44 116.57 122.75 1j3k h LYS 180 Ca -0.36 -0.45 -0.10 0.00 -1.27 0.00 0.00 60.65 58.47 1j3k h LYS 180 Cb 1.18 0.17 -0.18 0.00 -0.41 0.00 0.00 32.23 32.99 1j3k h LYS 180 CO 0.63 1.17 -0.30 0.15 -2.27 0.00 0.00 179.45 178.83 1j3k s LYS 181 N -2.57 0.75 -0.23 1.90 1.02 -1.26 -1.77 119.74 117.59 1j3k s LYS 181 Ca -0.20 -0.50 0.02 0.00 0.02 0.00 0.00 55.97 55.31 1j3k s LYS 181 Cb 0.07 0.32 0.05 0.00 -0.52 0.00 0.00 37.83 37.75 1j3k s LYS 181 CO 0.79 -0.23 -0.10 0.42 -0.92 0.00 0.00 175.35 175.31 1j3k s ILE 182 N -2.35 1.81 -0.72 2.17 1.01 -0.43 -1.22 121.20 121.46 1j3k s ILE 182 Ca -0.06 -1.27 -0.21 0.00 0.00 0.00 0.00 60.65 59.10 1j3k s ILE 182 Cb -0.02 -1.93 0.09 0.00 0.01 0.00 0.00 42.46 40.61 1j3k s ILE 182 CO -0.02 0.05 0.98 -0.31 0.00 0.00 0.00 174.94 175.64 1j3k s TYR 183 N 1.29 2.81 -0.29 3.97 1.51 0.48 -1.42 117.35 125.70 1j3k s TYR 183 Ca -0.05 -0.79 -0.11 0.00 -1.01 0.00 0.00 57.07 55.11 1j3k s TYR 183 Cb -0.18 -4.27 -0.04 0.00 -0.11 0.00 0.00 41.96 37.36 1j3k s TYR 183 CO -0.07 -1.58 0.19 0.12 -1.11 0.00 0.00 175.55 173.10 1j3k s PHE 184 N 3.62 3.21 -0.22 2.71 2.19 -0.57 -1.25 117.98 127.66 1j3k s PHE 184 Ca 0.24 -0.03 -0.17 0.00 0.33 0.00 0.00 56.93 57.30 1j3k s PHE 184 Cb -0.15 -2.39 -0.03 0.00 -1.31 0.00 0.00 43.02 39.14 1j3k s PHE 184 CO 0.05 -0.23 0.44 0.99 1.83 0.00 0.00 175.22 178.30 1j3k s THR 185 N 1.73 5.15 -0.42 0.12 2.01 -0.61 -0.85 115.64 122.77 1j3k s THR 185 Ca 0.07 0.77 -0.17 0.00 0.31 0.00 0.00 61.69 62.67 1j3k s THR 185 Cb -0.16 -3.77 0.02 0.00 0.01 0.00 0.00 72.50 68.60 1j3k s THR 185 CO 0.10 0.19 0.41 -0.13 -0.69 0.00 0.00 174.62 174.50 1j3k s ARG 186 N 1.71 3.06 -0.40 4.92 0.52 -0.06 -1.17 118.95 127.53 1j3k s ARG 186 Ca 0.20 -0.84 -0.20 0.00 -0.52 0.00 0.00 55.73 54.38 1j3k s ARG 186 Cb -0.15 -3.98 0.01 0.00 0.52 0.00 0.00 34.95 31.35 1j3k s ARG 186 CO 0.09 -0.84 0.59 0.42 0.02 0.00 0.00 175.30 175.57 1j3k s ILE 187 N 2.03 4.91 -1.46 1.52 -1.09 -0.37 -2.21 121.20 124.54 1j3k s ILE 187 Ca 0.10 0.23 -0.10 0.00 -2.23 0.00 0.00 60.65 58.66 1j3k s ILE 187 Cb -0.18 -4.10 0.03 0.00 -1.58 0.00 0.00 42.46 36.63 1j3k s ILE 187 CO 0.13 -0.42 2.49 -3.20 -1.23 0.00 0.00 174.94 172.70 1j3k n ASN 188 N 6.02 6.89 -3.46 3.58 5.15 -0.73 -3.83 115.26 128.88 1j3k n ASN 188 Ca -0.03 -2.85 -0.12 0.00 -0.60 0.00 0.00 54.58 50.98 1j3k n ASN 188 Cb 0.48 -1.52 -0.03 0.00 -0.53 0.00 0.00 39.78 38.18 1j3k n ASN 188 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1j3k s SER 189 N 1.78 -0.54 -0.11 1.20 1.04 -1.26 -4.44 113.70 111.37 1j3k s SER 189 Ca 0.56 0.14 -0.05 0.00 0.48 0.00 0.00 55.95 57.08 1j3k s SER 189 Cb 0.16 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.78 1j3k s SER 189 CO -0.06 -0.82 0.08 -0.89 0.98 0.00 0.00 173.24 172.52 1j3k s THR 190 N -3.11 5.01 0.26 2.02 2.01 -1.26 -1.38 115.64 119.19 1j3k s THR 190 Ca -0.00 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.99 1j3k s THR 190 Cb -0.01 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.32 1j3k s THR 190 CO -0.08 0.61 0.31 -0.31 -0.69 0.00 0.00 174.62 174.47 1j3k s TYR 191 N -0.96 1.03 -0.10 4.92 1.51 -1.10 -4.98 117.35 117.68 1j3k s TYR 191 Ca 0.14 -1.24 -0.11 0.00 -1.01 0.00 0.00 57.07 54.85 1j3k s TYR 191 Cb -0.12 -0.29 -0.05 0.00 -0.11 0.00 0.00 41.96 41.40 1j3k s TYR 191 CO 0.03 -0.87 0.26 -2.00 -1.11 0.00 0.00 175.55 171.86 1j3k s GLU 192 N -3.77 3.82 0.13 -0.62 2.12 -1.26 -3.43 118.70 115.69 1j3k s GLU 192 Ca 0.33 0.09 0.04 0.00 0.36 0.00 0.00 54.97 55.79 1j3k s GLU 192 Cb 0.03 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 1j3k s GLU 192 CO 0.15 0.60 -0.09 0.00 -0.54 0.00 0.00 175.26 175.39 1j3k n ASP 194 N -0.11 0.40 -4.03 0.00 5.68 -0.38 -4.97 116.55 113.15 1j3k n ASP 194 Ca -0.11 -0.28 -0.22 0.00 -0.50 0.00 0.00 54.79 53.67 1j3k n ASP 194 Cb 0.60 0.65 -0.16 0.00 -1.14 0.00 0.00 41.12 41.07 1j3k n ASP 194 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1j3k s VAL 195 N -0.73 0.98 0.45 2.12 -7.23 -1.00 -5.02 120.40 109.98 1j3k s VAL 195 Ca 0.00 -0.45 0.03 0.00 -1.81 0.00 0.00 61.98 59.75 1j3k s VAL 195 Cb 0.00 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 36.03 1j3k s VAL 195 CO 0.00 0.30 0.05 -0.36 -0.31 0.00 0.00 175.10 174.78 1j3k s PHE 196 N 0.30 1.92 -0.03 2.82 0.40 -1.26 -1.26 117.98 120.87 1j3k s PHE 196 Ca -0.06 -1.03 -0.03 0.00 -0.60 0.00 0.00 56.93 55.21 1j3k s PHE 196 Cb -0.11 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1j3k s PHE 196 CO 0.01 0.07 0.15 0.12 0.70 0.00 0.00 175.22 176.27 1j3k s PHE 197 N -3.00 3.49 0.67 0.36 2.19 -0.42 -4.70 117.98 116.57 1j3k s PHE 197 Ca 0.17 0.35 -0.17 0.00 0.33 0.00 0.00 56.93 57.61 1j3k s PHE 197 Cb 0.03 -1.83 -0.02 0.00 -1.31 0.00 0.00 43.02 39.89 1j3k s PHE 197 CO 0.09 0.64 0.95 -2.30 1.83 0.00 0.00 175.22 176.43 1j3k n PRO 198 N 1.23 0.68 -2.41 10.12 -0.02 -1.26 -4.87 135.00 138.48 1j3k n PRO 198 Ca -0.13 0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 61.23 1j3k n PRO 198 Cb 0.53 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1j3k n PRO 198 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1j3k s GLU 199 N -3.04 3.06 -0.17 -0.52 2.12 -1.26 -4.94 118.70 113.94 1j3k s GLU 199 Ca 0.75 -0.08 -0.35 0.00 0.36 0.00 0.00 54.97 55.64 1j3k s GLU 199 Cb -0.38 -4.33 -0.12 0.00 0.26 0.00 0.00 34.13 29.56 1j3k s GLU 199 CO 0.48 -2.33 1.91 -0.89 -0.54 0.00 0.00 175.26 173.89 1j3k n ILE 200 N 6.66 0.46 -2.39 -3.70 5.41 -1.26 -4.91 119.36 119.63 1j3k n ILE 200 Ca 0.10 -0.13 -0.42 0.00 1.00 0.00 0.00 62.75 63.30 1j3k n ILE 200 Cb 0.50 -1.73 -0.03 0.00 -0.71 0.00 0.00 39.64 37.68 1j3k n ILE 200 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1j3k s ASN 201 N 4.57 6.99 0.43 4.38 3.84 -1.26 -4.93 114.94 128.96 1j3k s ASN 201 Ca 0.97 1.90 0.12 0.00 0.21 0.00 0.00 52.86 56.06 1j3k s ASN 201 Cb -0.79 -2.56 0.92 0.00 -0.55 0.00 0.00 41.25 38.28 1j3k s ASN 201 CO 0.54 -0.63 1.97 -0.33 -2.79 0.00 0.00 177.10 175.86 1j3k h GLU 202 N 7.60 0.11 0.00 0.43 5.08 -1.91 -1.65 114.58 124.23 1j3k h GLU 202 Ca -0.35 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1j3k h GLU 202 Cb 1.16 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1j3k h GLU 202 CO 0.89 0.26 0.00 -0.91 -1.00 0.00 0.00 179.01 178.25 1j3k h ASN 203 N 0.11 0.00 0.00 1.42 2.35 -2.02 -3.27 115.58 114.16 1j3k h ASN 203 Ca 0.02 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 1j3k h ASN 203 Cb 0.32 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1j3k h ASN 203 CO 0.02 0.00 -1.54 -0.62 -1.65 0.00 0.00 177.43 173.64 1j3k n GLU 204 N -2.35 1.42 -4.18 0.81 1.02 -0.90 -4.78 120.64 111.67 1j3k n GLU 204 Ca 0.02 -0.05 -0.17 0.00 -0.02 0.00 0.00 57.16 56.95 1j3k n GLU 204 Cb 0.26 -1.23 -0.15 0.00 -0.02 0.00 0.00 31.44 30.30 1j3k n GLU 204 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1j3k s TYR 205 N -2.45 0.54 0.01 -0.32 2.02 -0.67 0.18 117.35 116.67 1j3k s TYR 205 Ca -0.04 -0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 1j3k s TYR 205 Cb 0.04 -0.38 -0.01 0.00 -0.40 0.00 0.00 41.96 41.21 1j3k s TYR 205 CO 0.39 -0.04 -0.04 1.14 -1.57 0.00 0.00 175.55 175.43 1j3k s GLN 206 N 0.05 0.29 0.25 -0.62 -2.07 -0.70 -4.32 119.66 112.54 1j3k s GLN 206 Ca -0.00 -0.29 -0.30 0.00 -1.82 0.00 0.00 55.36 52.95 1j3k s GLN 206 Cb -0.04 -0.18 -0.10 0.00 -1.09 0.00 0.00 33.01 31.60 1j3k s GLN 206 CO -0.00 0.04 1.41 0.42 -1.32 0.00 0.00 175.29 175.84 1j3k s ILE 207 N -0.51 2.74 0.00 3.63 1.01 -1.26 -0.77 121.20 126.04 1j3k s ILE 207 Ca -0.04 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.24 1j3k s ILE 207 Cb -0.04 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.03 1j3k s ILE 207 CO -0.00 0.10 0.00 2.30 0.00 0.00 0.00 174.94 177.34 1j3k n ILE 208 N 2.28 0.00 -3.73 2.92 -5.35 0.55 -4.90 119.36 111.14 1j3k n ILE 208 Ca 0.06 -0.21 -0.13 0.00 -0.27 0.00 0.00 62.75 62.20 1j3k n ILE 208 Cb 0.41 0.72 -0.10 0.00 -1.74 0.00 0.00 39.64 38.93 1j3k n ILE 208 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1j3k s SER 209 N -1.19 -0.45 -0.04 7.28 0.01 -1.20 -4.99 113.70 113.12 1j3k s SER 209 Ca 0.00 0.86 0.02 0.00 1.31 0.00 0.00 55.95 58.14 1j3k s SER 209 Cb 0.00 0.87 0.02 0.00 0.21 0.00 0.00 66.02 67.12 1j3k s SER 209 CO 0.00 -0.15 -0.07 0.68 0.41 0.00 0.00 173.24 174.10 1j3k s VAL 210 N 0.21 0.72 0.49 3.43 -7.23 -1.26 -0.57 120.40 116.19 1j3k s VAL 210 Ca -0.00 -0.25 -0.03 0.00 -1.81 0.00 0.00 61.98 59.88 1j3k s VAL 210 Cb -0.03 -0.69 0.10 0.00 0.56 0.00 0.00 36.38 36.32 1j3k s VAL 210 CO 0.01 0.26 0.66 -1.54 -0.31 0.00 0.00 175.10 174.18 1j3k n SER 211 N 3.82 0.55 -4.72 4.85 3.41 -0.13 -5.02 113.62 116.38 1j3k n SER 211 Ca -0.23 -1.55 -0.30 0.00 -0.26 0.00 0.00 58.87 56.53 1j3k n SER 211 Cb 0.52 -0.46 0.13 0.00 -0.26 0.00 0.00 64.21 64.14 1j3k n SER 211 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1j3k s ASP 212 N -3.59 3.56 -0.11 4.04 2.15 -1.26 -4.74 116.67 116.72 1j3k s ASP 212 Ca 0.41 1.52 -0.05 0.00 0.43 0.00 0.00 52.55 54.86 1j3k s ASP 212 Cb -0.02 -2.20 -0.04 0.00 -0.30 0.00 0.00 42.92 40.36 1j3k s ASP 212 CO 0.28 -2.59 0.08 -0.69 -0.17 0.00 0.00 175.17 172.08 1j3k s VAL 213 N -2.93 4.98 0.26 1.11 1.01 -1.26 -4.43 120.40 119.15 1j3k s VAL 213 Ca 0.63 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.65 1j3k s VAL 213 Cb -0.18 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 1j3k s VAL 213 CO 0.57 0.60 0.04 -0.31 0.00 0.00 0.00 175.10 176.00 1j3k s TYR 214 N -0.82 1.65 -0.05 5.22 1.51 -0.44 -4.98 117.35 119.45 1j3k s TYR 214 Ca 0.13 -1.02 0.06 0.00 -1.01 0.00 0.00 57.07 55.23 1j3k s TYR 214 Cb -0.12 -1.00 -0.01 0.00 -0.11 0.00 0.00 41.96 40.73 1j3k s TYR 214 CO 0.03 -0.12 -0.22 0.99 -1.11 0.00 0.00 175.55 175.11 1j3k s THR 215 N -3.50 1.80 -0.20 -0.71 2.01 -1.26 -0.71 115.64 113.08 1j3k s THR 215 Ca 0.33 -0.93 -0.09 0.00 0.31 0.00 0.00 61.69 61.31 1j3k s THR 215 Cb 0.07 -1.52 0.08 0.00 0.01 0.00 0.00 72.50 71.13 1j3k s THR 215 CO 0.12 0.51 0.45 -0.55 -0.69 0.00 0.00 174.62 174.46 1j3k s SER 216 N -0.15 -0.50 -1.26 3.53 0.15 0.32 -4.94 113.70 110.85 1j3k s SER 216 Ca -0.02 1.02 -0.12 0.00 0.70 0.00 0.00 55.95 57.53 1j3k s SER 216 Cb -0.12 1.10 -0.00 0.00 -1.71 0.00 0.00 66.02 65.29 1j3k s SER 216 CO 0.03 -0.21 0.63 0.59 1.20 0.00 0.00 173.24 175.47 1j3k n ASN 217 N 4.71 -2.96 -2.47 5.45 4.13 -1.26 -2.51 115.26 120.34 1j3k n ASN 217 Ca -0.17 -1.02 -0.20 0.00 1.68 0.00 0.00 54.58 54.87 1j3k n ASN 217 Cb 0.53 -3.21 0.01 0.00 -1.54 0.00 0.00 39.78 35.57 1j3k n ASN 217 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1j3k n ASN 218 N -2.80 -5.75 -3.67 6.41 5.15 -1.26 -5.00 115.26 108.35 1j3k n ASN 218 Ca -0.20 -0.11 -0.14 0.00 -0.60 0.00 0.00 54.58 53.53 1j3k n ASN 218 Cb 0.63 -4.70 -0.07 0.00 -0.53 0.00 0.00 39.78 35.11 1j3k n ASN 218 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1j3k s THR 219 N -3.05 0.04 0.37 -0.44 -1.32 -1.04 -5.08 115.64 105.12 1j3k s THR 219 Ca 0.11 -0.34 0.03 0.00 -1.21 0.00 0.00 61.69 60.27 1j3k s THR 219 Cb -0.05 -0.82 -0.01 0.00 -1.51 0.00 0.00 72.50 70.11 1j3k s THR 219 CO 0.13 -0.19 0.55 0.42 -2.21 0.00 0.00 174.62 173.32 1j3k s THR 220 N -1.67 4.26 -0.06 5.08 -4.23 -1.26 -0.53 115.64 117.25 1j3k s THR 220 Ca -0.10 -0.74 -0.30 0.00 -1.18 0.00 0.00 61.69 59.37 1j3k s THR 220 Cb -0.02 -3.53 0.11 0.00 1.34 0.00 0.00 72.50 70.40 1j3k s THR 220 CO 0.04 -0.28 0.93 -1.48 -0.54 0.00 0.00 174.62 173.28 1j3k s LEU 221 N -4.32 -0.35 0.16 4.79 2.34 0.12 -1.78 118.68 119.63 1j3k s LEU 221 Ca 0.45 0.11 -0.05 0.00 0.06 0.00 0.00 54.13 54.70 1j3k s LEU 221 Cb -0.10 1.95 -0.03 0.00 -0.56 0.00 0.00 46.19 47.46 1j3k s LEU 221 CO 0.34 -0.53 0.18 1.51 -1.06 0.00 0.00 176.35 176.79 1j3k s ASP 222 N -2.12 0.16 -0.16 1.48 1.47 -0.94 -1.32 116.67 115.24 1j3k s ASP 222 Ca 0.03 -1.09 0.01 0.00 1.18 0.00 0.00 52.55 52.68 1j3k s ASP 222 Cb -0.01 0.38 0.01 0.00 -0.34 0.00 0.00 42.92 42.96 1j3k s ASP 222 CO -0.06 -0.83 -0.17 -0.36 0.68 0.00 0.00 175.17 174.42 1j3k s PHE 223 N -4.03 2.76 0.31 2.11 0.08 -1.26 -0.88 117.98 117.06 1j3k s PHE 223 Ca 0.24 -1.25 0.11 0.00 0.12 0.00 0.00 56.93 56.15 1j3k s PHE 223 Cb 0.05 -1.89 -0.06 0.00 -0.57 0.00 0.00 43.02 40.56 1j3k s PHE 223 CO 0.03 -0.59 -0.14 0.96 -0.10 0.00 0.00 175.22 175.38 1j3k s ILE 224 N 0.95 2.32 -0.09 0.64 -4.36 -0.03 -0.96 121.20 119.68 1j3k s ILE 224 Ca -0.03 -2.30 0.01 0.00 -0.26 0.00 0.00 60.65 58.07 1j3k s ILE 224 Cb -0.15 -2.47 0.02 0.00 1.25 0.00 0.00 42.46 41.11 1j3k s ILE 224 CO -0.03 -0.30 -0.10 -0.63 0.24 0.00 0.00 174.94 174.11 1j3k s ILE 225 N -2.58 1.12 -0.07 8.37 1.01 0.27 -1.52 121.20 127.80 1j3k s ILE 225 Ca 0.31 -0.41 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 1j3k s ILE 225 Cb -0.01 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 1j3k s ILE 225 CO 0.15 0.37 0.22 -0.31 0.00 0.00 0.00 174.94 175.37 1j3k s TYR 226 N 1.16 3.62 -0.02 3.97 2.02 -0.51 -0.33 117.35 127.27 1j3k s TYR 226 Ca -0.05 0.63 0.05 0.00 -0.37 0.00 0.00 57.07 57.33 1j3k s TYR 226 Cb -0.14 -2.02 -0.01 0.00 -0.40 0.00 0.00 41.96 39.39 1j3k s TYR 226 CO -0.02 0.70 -0.16 0.21 -1.57 0.00 0.00 175.55 174.70 1j3k s LYS 227 N -1.18 1.40 0.19 -0.62 2.20 0.05 -1.32 119.74 120.47 1j3k s LYS 227 Ca 0.19 -0.59 -0.32 0.00 -0.36 0.00 0.00 55.97 54.89 1j3k s LYS 227 Cb -0.13 -1.33 -0.12 0.00 -1.51 0.00 0.00 37.83 34.74 1j3k s LYS 227 CO 0.08 0.34 1.73 1.17 -0.36 0.00 0.00 175.35 178.31 1j3k n LYS 228 N 2.75 2.74 -2.86 4.03 3.00 -0.73 -1.71 118.16 125.38 1j3k n LYS 228 Ca -0.15 0.99 -0.41 0.00 -0.00 0.00 0.00 58.31 58.74 1j3k n LYS 228 Cb 0.54 -2.84 -0.04 0.00 0.00 0.00 0.00 35.03 32.70 1j3k n LYS 228 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1j3k s THR 229 N 1.34 4.92 -1.42 3.15 -4.23 0.13 -4.91 115.64 114.62 1j3k s THR 229 Ca 0.76 1.76 -0.08 0.00 -1.18 0.00 0.00 61.69 62.95 1j3k s THR 229 Cb -0.52 -4.19 0.06 0.00 1.34 0.00 0.00 72.50 69.20 1j3k s THR 229 CO 0.33 0.15 2.47 0.59 -0.54 0.00 0.00 174.62 177.62 1j3k n ASN 230 N 4.25 7.46 -0.14 3.99 3.02 -1.26 -4.39 115.26 128.19 1j3k n ASN 230 Ca 0.03 -2.94 0.05 0.00 -0.03 0.00 0.00 54.58 51.70 1j3k n ASN 230 Cb 0.50 -1.46 0.07 0.00 -0.61 0.00 0.00 39.78 38.28 1j3k n ASN 230 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1j3k n ASN 231 N 2.97 1.60 0.00 6.41 5.03 -1.26 -5.25 115.26 124.76 1j3k n ASN 231 Ca 0.63 -2.50 0.00 0.00 0.87 0.00 0.00 54.58 53.59 1j3k n ASN 231 Cb 0.27 -0.27 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1j3k n ASN 231 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72