#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3i s GLU 3 N 0.00 0.53 0.06 2.12 2.02 -1.26 -5.13 118.70 117.05 1j3i s GLU 3 Ca 0.00 -0.22 0.07 0.00 0.02 0.00 0.00 54.97 54.84 1j3i s GLU 3 Cb 0.00 -0.52 -0.03 0.00 0.10 0.00 0.00 34.13 33.68 1j3i s GLU 3 CO 0.00 0.13 -0.19 -0.65 0.02 0.00 0.00 175.26 174.57 1j3i s GLN 4 N -0.09 1.13 0.00 1.61 -0.21 -1.26 -5.00 119.66 115.84 1j3i s GLN 4 Ca 0.02 -0.97 -0.01 0.00 0.02 0.00 0.00 55.36 54.42 1j3i s GLN 4 Cb -0.03 -1.26 -0.00 0.00 1.00 0.00 0.00 33.01 32.72 1j3i s GLN 4 CO -0.00 0.31 0.61 0.28 -2.12 0.00 0.00 175.29 174.36 1j3i n VAL 5 N 1.54 -0.01 -0.33 1.09 0.31 -1.26 0.01 118.33 119.68 1j3i n VAL 5 Ca -0.19 0.91 0.13 0.00 -0.01 0.00 0.00 64.34 65.19 1j3i n VAL 5 Cb 0.54 -1.21 0.34 0.00 -0.91 0.00 0.00 33.84 32.59 1j3i n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j3i h ASP 7 N 0.75 0.34 0.00 0.00 3.58 -1.30 -1.79 116.42 117.99 1j3i h ASP 7 Ca 0.54 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.78 1j3i h ASP 7 Cb 0.85 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.80 1j3i h ASP 7 CO -0.31 0.89 -0.04 0.58 -2.88 0.00 0.00 179.24 177.48 1j3i h VAL 8 N 0.21 1.74 -0.22 2.25 2.07 0.12 -3.35 116.25 119.07 1j3i h VAL 8 Ca -0.01 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1j3i h VAL 8 Cb 1.18 3.30 0.00 0.00 -1.52 0.00 0.00 31.29 34.25 1j3i h VAL 8 CO 0.10 0.59 0.00 0.49 0.02 0.00 0.00 177.57 178.77 1j3i n PHE 9 N -4.61 0.29 -3.91 1.57 3.72 0.64 -4.69 117.46 110.48 1j3i n PHE 9 Ca -0.10 -0.14 -0.40 0.00 -0.05 0.00 0.00 57.45 56.76 1j3i n PHE 9 Cb 0.48 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.04 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 0.20 -4.68 -4.57 4.37 9.92 -0.71 -4.07 116.55 117.02 1j3i n ASP 10 Ca 0.12 -1.17 -0.41 0.00 -0.53 0.00 0.00 54.79 52.80 1j3i n ASP 10 Cb 0.24 -2.34 -0.07 0.00 -0.64 0.00 0.00 41.12 38.31 1j3i n ASP 10 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1j3i s ILE 11 N -3.47 4.98 0.30 0.53 1.01 -1.00 -1.58 121.20 121.97 1j3i s ILE 11 Ca 0.46 0.52 0.10 0.00 0.00 0.00 0.00 60.65 61.73 1j3i s ILE 11 Cb -0.22 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 1j3i s ILE 11 CO 0.93 -0.20 -0.10 -0.31 0.00 0.00 0.00 174.94 175.25 1j3i s TYR 12 N 2.50 2.44 -0.07 3.97 2.02 0.48 -0.89 117.35 127.80 1j3i s TYR 12 Ca 0.21 -0.36 0.05 0.00 -0.37 0.00 0.00 57.07 56.60 1j3i s TYR 12 Cb -0.15 -1.20 -0.01 0.00 -0.40 0.00 0.00 41.96 40.20 1j3i s TYR 12 CO 0.13 0.63 -0.24 0.00 -1.57 0.00 0.00 175.55 174.50 1j3i s ALA 13 N -2.50 2.09 -0.08 3.71 0.00 0.31 -0.64 121.76 124.66 1j3i s ALA 13 Ca 0.32 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1j3i s ALA 13 Cb -0.03 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.42 1j3i s ALA 13 CO 0.17 0.37 -0.10 -1.50 0.00 0.00 0.00 175.76 174.70 1j3i s ILE 14 N -0.03 1.05 0.27 0.00 2.07 -1.05 0.54 121.20 124.04 1j3i s ILE 14 Ca -0.07 -0.38 0.00 0.00 -1.41 0.00 0.00 60.65 58.79 1j3i s ILE 14 Cb -0.14 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.44 1j3i s ILE 14 CO 0.05 0.35 0.34 0.00 -1.91 0.00 0.00 174.94 173.76 1j3i s ALA 16 N -2.64 -0.25 -0.06 0.00 0.00 -1.26 -1.75 121.76 115.80 1j3i s ALA 16 Ca 0.25 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.88 1j3i s ALA 16 Cb -0.00 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1j3i s ALA 16 CO 0.17 -0.38 -0.07 0.00 0.00 0.00 0.00 175.76 175.48 1j3i s LYS 19 N -4.09 3.81 -0.18 0.00 1.02 -0.67 -0.93 119.74 118.70 1j3i s LYS 19 Ca 0.45 0.34 -0.05 0.00 0.02 0.00 0.00 55.97 56.73 1j3i s LYS 19 Cb -0.03 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 1j3i s LYS 19 CO 0.29 0.21 -0.00 0.08 -0.92 0.00 0.00 175.35 175.02 1j3i s VAL 20 N -1.98 4.10 0.21 3.17 1.01 -1.26 -2.35 120.40 123.30 1j3i s VAL 20 Ca 0.49 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1j3i s VAL 20 Cb -0.11 -2.83 -0.08 0.00 0.00 0.00 0.00 36.38 33.36 1j3i s VAL 20 CO 0.23 0.46 1.22 -1.83 0.00 0.00 0.00 175.10 175.18 1j3i s GLU 21 N 0.58 4.48 -0.12 2.72 -1.05 -1.25 -4.97 118.70 119.10 1j3i s GLU 21 Ca -0.01 1.93 -0.05 0.00 -0.15 0.00 0.00 54.97 56.68 1j3i s GLU 21 Cb -0.14 -3.21 -0.04 0.00 -0.44 0.00 0.00 34.13 30.30 1j3i s GLU 21 CO 0.02 -0.09 0.09 -1.12 0.95 0.00 0.00 175.26 175.11 1j3i s SER 22 N 0.01 5.93 0.25 0.83 0.01 -1.26 -4.97 113.70 114.50 1j3i s SER 22 Ca 0.52 0.32 0.19 0.00 1.31 0.00 0.00 55.95 58.29 1j3i s SER 22 Cb -0.34 -1.86 0.06 0.00 0.21 0.00 0.00 66.02 64.09 1j3i s SER 22 CO 0.39 0.37 1.25 0.11 0.41 0.00 0.00 173.24 175.76 1j3i h LYS 23 N 5.24 0.00 -5.64 12.44 1.79 -2.06 -3.42 116.57 124.92 1j3i h LYS 23 Ca -0.52 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.32 1j3i h LYS 23 Cb 1.21 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.72 1j3i h LYS 23 CO 0.58 0.23 0.28 1.21 -1.08 0.00 0.00 179.45 180.67 1j3i s ASN 24 N -6.01 6.37 -1.03 0.86 2.47 -1.26 -4.98 114.94 111.37 1j3i s ASN 24 Ca 0.02 -0.21 -0.21 0.00 0.42 0.00 0.00 52.86 52.87 1j3i s ASN 24 Cb 0.08 -2.36 0.07 0.00 -1.45 0.00 0.00 41.25 37.59 1j3i s ASN 24 CO 0.75 -0.88 1.40 -0.70 -3.72 0.00 0.00 177.10 173.96 1j3i s GLU 25 N 3.13 3.64 0.25 0.43 2.12 -1.26 -4.98 118.70 122.04 1j3i s GLU 25 Ca 0.27 -1.37 -0.05 0.00 0.36 0.00 0.00 54.97 54.18 1j3i s GLU 25 Cb -0.13 -5.27 -0.04 0.00 0.26 0.00 0.00 34.13 28.95 1j3i s GLU 25 CO 0.21 -2.11 -0.23 0.41 -0.54 0.00 0.00 175.26 173.00 1j3i n GLY 26 N 6.39 -1.13 1.85 -1.50 0.00 -1.26 -4.80 105.19 104.74 1j3i n GLY 26 Ca 0.32 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 1j3i n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j3i n LYS 27 N 0.64 2.21 -3.83 1.61 4.81 -1.26 -4.91 118.16 117.43 1j3i n LYS 27 Ca -0.01 -2.24 0.00 0.00 -0.87 0.00 0.00 58.31 55.20 1j3i n LYS 27 Cb 0.15 -1.90 0.01 0.00 0.02 0.00 0.00 35.03 33.31 1j3i n LYS 27 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1j3i s LYS 28 N -2.42 0.68 -0.08 1.64 2.20 -1.26 -5.11 119.74 115.39 1j3i s LYS 28 Ca 0.42 -0.42 -0.29 0.00 -0.36 0.00 0.00 55.97 55.32 1j3i s LYS 28 Cb 0.35 0.20 -0.06 0.00 -1.51 0.00 0.00 37.83 36.81 1j3i s LYS 28 CO 0.09 -0.32 1.92 -0.80 -0.36 0.00 0.00 175.35 175.88 1j3i s ASN 29 N -3.38 6.25 0.28 1.43 0.02 -1.26 -4.89 114.94 113.38 1j3i s ASN 29 Ca 0.21 2.25 -0.27 0.00 -1.02 0.00 0.00 52.86 54.03 1j3i s ASN 29 Cb 0.01 -2.53 -0.15 0.00 0.02 0.00 0.00 41.25 38.60 1j3i s ASN 29 CO -0.00 -1.27 0.64 1.21 0.02 0.00 0.00 177.10 177.69 1j3i n GLU 30 N 7.77 0.49 -4.22 -0.60 2.13 -1.26 -4.98 120.64 119.97 1j3i n GLU 30 Ca 0.21 0.17 -0.33 0.00 0.66 0.00 0.00 57.16 57.88 1j3i n GLU 30 Cb 0.43 -1.33 -0.08 0.00 0.27 0.00 0.00 31.44 30.73 1j3i n GLU 30 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1j3i s VAL 31 N -1.14 4.38 0.18 6.31 1.01 -1.26 -5.12 120.40 124.75 1j3i s VAL 31 Ca 0.62 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 62.21 1j3i s VAL 31 Cb -0.79 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1j3i s VAL 31 CO 0.58 0.39 -0.22 -0.36 0.00 0.00 0.00 175.10 175.49 1j3i s PHE 32 N -1.11 2.14 0.30 5.22 0.08 -1.26 -5.02 117.98 118.33 1j3i s PHE 32 Ca 0.20 -0.39 -0.19 0.00 0.12 0.00 0.00 56.93 56.67 1j3i s PHE 32 Cb -0.12 -1.07 0.06 0.00 -0.57 0.00 0.00 43.02 41.32 1j3i s PHE 32 CO 0.11 0.43 0.87 0.54 -0.10 0.00 0.00 175.22 177.07 1j3i s ASN 33 N -2.59 -0.03 0.35 1.36 2.20 -1.26 -5.02 114.94 109.94 1j3i s ASN 33 Ca 0.18 -0.90 0.08 0.00 -0.94 0.00 0.00 52.86 51.28 1j3i s ASN 33 Cb -0.08 0.71 0.79 0.00 -2.00 0.00 0.00 41.25 40.67 1j3i s ASN 33 CO 0.08 -1.39 1.86 0.78 -2.94 0.00 0.00 177.10 175.49 1j3i h ASN 34 N 2.00 0.69 0.13 3.54 2.35 -2.00 -0.43 115.58 121.86 1j3i h ASN 34 Ca -0.29 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1j3i h ASN 34 Cb 1.24 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1j3i h ASN 34 CO 0.36 0.34 0.00 0.00 -1.65 0.00 0.00 177.43 176.48 1j3i n TYR 35 N -4.58 0.00 0.22 1.19 9.36 -1.26 -2.04 117.16 120.05 1j3i n TYR 35 Ca 0.18 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.48 1j3i n TYR 35 Cb 0.48 -0.36 0.52 0.00 -0.63 0.00 0.00 39.34 39.35 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 0.85 -3.38 2.97 2.02 -1.47 -3.36 112.91 110.54 1j3i h THR 36 Ca 0.00 -0.96 -0.76 0.00 0.77 0.00 0.00 66.41 65.46 1j3i h THR 36 Cb 0.07 1.57 -0.27 0.00 -1.74 0.00 0.00 68.15 67.78 1j3i h THR 36 CO 0.00 0.24 -0.18 -0.36 0.37 0.00 0.00 175.52 175.59 1j3i s PHE 37 N -4.08 3.45 0.00 3.16 0.08 -0.87 -4.27 117.98 115.46 1j3i s PHE 37 Ca -0.02 -1.74 0.00 0.00 0.12 0.00 0.00 56.93 55.29 1j3i s PHE 37 Cb 0.13 -3.69 0.00 0.00 -0.57 0.00 0.00 43.02 38.89 1j3i s PHE 37 CO 0.65 -0.99 0.00 2.89 -0.10 0.00 0.00 175.22 177.67 1j3i n ARG 38 N 4.67 0.00 -2.15 0.44 1.85 -0.78 -4.83 116.66 115.86 1j3i n ARG 38 Ca -0.03 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.40 1j3i n ARG 38 Cb 0.42 -0.41 -0.02 0.00 -1.05 0.00 0.00 32.46 31.40 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 1.43 -0.23 2.89 0.00 -0.11 -1.70 107.32 109.60 1j3i s GLY 39 Ca 0.00 0.62 -0.05 0.00 0.00 0.00 0.00 44.72 45.29 1j3i s GLY 39 CO 0.00 2.89 -0.25 1.04 0.00 0.00 0.00 173.10 176.78 1j3i n LEU 40 N 7.55 2.28 -3.93 0.66 4.77 -0.73 -1.71 117.00 125.90 1j3i n LEU 40 Ca 0.17 0.09 -0.09 0.00 -0.03 0.00 0.00 56.01 56.15 1j3i n LEU 40 Cb 0.44 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 40.77 1j3i n LEU 40 CO 0.62 0.67 0.22 -0.83 -1.33 0.00 0.00 177.39 176.73 1j3i s GLY 41 N -5.75 0.33 -0.17 -0.72 0.00 -1.05 -4.29 107.32 95.67 1j3i s GLY 41 Ca -0.31 -0.68 -0.08 0.00 0.00 0.00 0.00 44.72 43.65 1j3i s GLY 41 CO 0.45 -0.51 0.40 0.21 0.00 0.00 0.00 173.10 173.65 1j3i s ASN 42 N -2.97 -0.41 -1.45 1.64 2.47 0.16 -0.53 114.94 113.84 1j3i s ASN 42 Ca 0.18 0.88 -0.12 0.00 0.42 0.00 0.00 52.86 54.22 1j3i s ASN 42 Cb -0.01 0.87 0.09 0.00 -1.45 0.00 0.00 41.25 40.75 1j3i s ASN 42 CO 0.06 -0.20 0.70 0.29 -3.72 0.00 0.00 177.10 174.22 1j3i n LYS 43 N 4.55 -4.09 -1.05 0.43 5.02 -1.26 -0.58 118.16 121.18 1j3i n LYS 43 Ca -0.20 0.52 -0.02 0.00 -2.02 0.00 0.00 58.31 56.60 1j3i n LYS 43 Cb 0.54 -5.30 -0.01 0.00 -0.02 0.00 0.00 35.03 30.24 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 -1.39 0.53 3.34 0.72 0.00 -1.26 -5.01 105.19 102.12 1j3i n GLY 44 Ca 0.01 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 1j3i n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j3i s VAL 45 N -1.98 0.00 0.19 1.61 -7.23 0.25 -4.65 120.40 108.60 1j3i s VAL 45 Ca 0.00 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 57.98 1j3i s VAL 45 Cb 0.00 -2.54 -0.09 0.00 0.56 0.00 0.00 36.38 34.32 1j3i s VAL 45 CO 0.00 0.00 1.30 -0.76 -0.31 0.00 0.00 175.10 175.33 1j3i s LEU 46 N -3.32 4.42 0.63 1.32 1.43 -1.26 0.36 118.68 122.26 1j3i s LEU 46 Ca 0.38 2.37 0.30 0.00 -1.03 0.00 0.00 54.13 56.15 1j3i s LEU 46 Cb 0.02 -3.61 1.65 0.00 0.03 0.00 0.00 46.19 44.28 1j3i s LEU 46 CO 0.24 -0.52 1.98 -0.65 0.23 0.00 0.00 176.35 177.63 1j3i h PRO 47 N 5.45 0.00 -0.27 1.29 0.11 -1.84 -1.44 132.00 135.30 1j3i h PRO 47 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1j3i h PRO 47 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1j3i h PRO 47 CO 0.77 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.89 1j3i n TRP 48 N -3.29 0.44 0.00 0.65 2.14 -1.26 -4.51 117.44 111.60 1j3i n TRP 48 Ca 0.01 -0.56 0.00 0.00 2.07 0.00 0.00 57.50 59.02 1j3i n TRP 48 Cb 0.43 -0.07 0.00 0.00 -0.81 0.00 0.00 31.31 30.86 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 0.17 0.00 -3.59 -2.67 5.02 -0.54 -4.75 118.16 111.80 1j3i n LYS 49 Ca 0.11 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.36 1j3i n LYS 49 Cb 0.46 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.46 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 -2.43 0.88 0.29 0.00 3.84 -1.26 -4.96 114.94 111.30 1j3i s ASN 51 Ca 0.09 -0.42 0.05 0.00 0.21 0.00 0.00 52.86 52.79 1j3i s ASN 51 Cb -0.00 0.86 0.71 0.00 -0.55 0.00 0.00 41.25 42.27 1j3i s ASN 51 CO -0.05 -0.36 1.75 0.77 -2.79 0.00 0.00 177.10 176.42 1j3i h SER 52 N 8.21 0.64 -0.29 -4.21 4.64 -1.99 -0.88 113.55 119.67 1j3i h SER 52 Ca -0.12 0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 1j3i h SER 52 Cb 1.11 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1j3i h SER 52 CO 0.29 0.19 -0.07 0.25 -0.87 0.00 0.00 176.83 176.62 1j3i h LEU 53 N 0.64 0.56 -0.86 5.97 5.85 -1.96 -0.63 115.31 124.89 1j3i h LEU 53 Ca 0.56 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1j3i h LEU 53 Cb 0.92 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1j3i h LEU 53 CO -0.42 0.80 0.43 -0.78 -0.34 0.00 0.00 178.44 178.13 1j3i h ASP 54 N 0.32 1.11 -0.26 1.25 3.58 -1.85 -1.29 116.42 119.29 1j3i h ASP 54 Ca 0.07 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 1j3i h ASP 54 Cb 0.55 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1j3i h ASP 54 CO 0.03 0.93 0.16 -0.03 -2.88 0.00 0.00 179.24 177.44 1j3i h MET 55 N 1.22 0.35 -0.09 0.28 4.05 -0.96 0.26 114.93 120.04 1j3i h MET 55 Ca 0.30 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.67 1j3i h MET 55 Cb 0.10 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 1j3i h MET 55 CO -0.04 0.28 -0.04 -0.22 0.23 0.00 0.00 176.91 177.12 1j3i h LYS 56 N 0.33 0.13 -0.09 0.39 3.64 -0.80 -0.32 116.57 119.84 1j3i h LYS 56 Ca 0.09 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.31 1j3i h LYS 56 Cb 0.02 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1j3i h LYS 56 CO -0.02 0.18 -0.52 -0.92 -2.27 0.00 0.00 179.45 175.90 1j3i h TYR 57 N 0.13 0.70 0.34 1.91 3.20 -0.24 -1.95 116.97 121.06 1j3i h TYR 57 Ca 0.03 -0.32 -0.00 0.00 3.14 0.00 0.00 58.73 61.58 1j3i h TYR 57 Cb 0.15 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1j3i h TYR 57 CO 0.00 1.10 -0.37 0.35 -1.64 0.00 0.00 178.16 177.60 1j3i h PHE 58 N 0.11 -1.02 0.09 -3.82 3.57 0.55 0.29 116.94 116.71 1j3i h PHE 58 Ca -0.04 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.49 1j3i h PHE 58 Cb 1.17 0.40 -0.03 0.00 2.79 0.00 0.00 35.95 40.29 1j3i h PHE 58 CO 0.12 -0.52 -0.21 0.00 -2.23 0.00 0.00 178.31 175.47 1j3i h ALA 60 N 0.43 0.22 0.15 0.00 0.00 -1.13 -0.59 119.26 118.34 1j3i h ALA 60 Ca 0.03 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1j3i h ALA 60 Cb 0.41 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1j3i h ALA 60 CO -0.13 -0.50 -0.07 0.28 0.00 0.00 0.00 179.25 178.82 1j3i h VAL 61 N -0.06 0.98 0.00 0.00 2.07 -0.69 -2.65 116.25 115.89 1j3i h VAL 61 Ca 0.22 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1j3i h VAL 61 Cb 0.41 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1j3i h VAL 61 CO -0.51 0.14 0.00 0.71 0.02 0.00 0.00 177.57 177.93 1j3i h THR 62 N -0.49 0.00 -0.02 2.57 1.35 -1.10 -3.01 112.91 112.21 1j3i h THR 62 Ca -0.02 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1j3i h THR 62 Cb 0.38 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1j3i h THR 62 CO 0.03 0.00 -0.24 0.35 -0.25 0.00 0.00 175.52 175.41 1j3i n THR 63 N -2.97 0.00 -2.71 6.82 -2.24 -0.24 -4.58 114.28 108.36 1j3i n THR 63 Ca 0.00 -0.38 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1j3i n THR 63 Cb 0.25 1.29 -0.05 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.95 3.83 -0.03 4.78 5.04 -1.00 -4.91 117.35 123.11 1j3i s TYR 64 Ca 0.18 1.81 -0.03 0.00 -2.44 0.00 0.00 57.07 56.59 1j3i s TYR 64 Cb 0.16 -3.07 0.01 0.00 0.35 0.00 0.00 41.96 39.41 1j3i s TYR 64 CO 0.39 0.16 0.08 0.08 -1.34 0.00 0.00 175.55 174.92 1j3i s VAL 65 N -0.35 -0.00 -0.49 3.14 1.01 -1.26 -4.89 120.40 117.56 1j3i s VAL 65 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1j3i s VAL 65 Cb -0.25 -0.11 0.13 0.00 0.00 0.00 0.00 36.38 36.15 1j3i s VAL 65 CO 0.31 0.00 0.26 0.21 0.00 0.00 0.00 175.10 175.89 1j3i s ASN 66 N 0.05 4.92 0.39 3.32 3.84 -1.26 -4.98 114.94 121.21 1j3i s ASN 66 Ca -0.00 -2.56 0.06 0.00 0.21 0.00 0.00 52.86 50.57 1j3i s ASN 66 Cb -0.01 -1.75 0.78 0.00 -0.55 0.00 0.00 41.25 39.72 1j3i s ASN 66 CO 0.00 -0.38 1.99 -0.33 -2.79 0.00 0.00 177.10 175.59 1j3i h GLU 67 N 7.25 0.50 0.00 0.43 5.08 -1.99 -2.32 114.58 123.53 1j3i h GLU 67 Ca -0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1j3i h GLU 67 Cb 0.97 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1j3i h GLU 67 CO 0.67 0.42 0.00 -1.13 -1.00 0.00 0.00 179.01 177.96 1j3i n SER 68 N -4.40 0.00 -0.01 1.42 3.41 -1.26 -1.93 113.62 110.85 1j3i n SER 68 Ca 0.02 0.47 0.01 0.00 -0.26 0.00 0.00 58.87 59.12 1j3i n SER 68 Cb 0.14 -0.48 0.02 0.00 -0.26 0.00 0.00 64.21 63.63 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 -1.48 2.58 0.05 4.33 4.76 -0.88 -4.69 118.16 122.84 1j3i n LYS 69 Ca 0.01 -1.57 -0.08 0.00 -2.87 0.00 0.00 58.31 53.80 1j3i n LYS 69 Cb 0.05 -1.03 0.06 0.00 -1.84 0.00 0.00 35.03 32.27 1j3i n LYS 69 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 1j3i h TYR 70 N 0.00 0.51 -0.20 2.13 3.20 -1.39 -3.31 116.97 117.91 1j3i h TYR 70 Ca 0.00 -0.20 0.05 0.00 3.14 0.00 0.00 58.73 61.72 1j3i h TYR 70 Cb 0.60 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.71 1j3i h TYR 70 CO 0.00 0.92 -0.40 0.93 -1.64 0.00 0.00 178.16 177.98 1j3i h GLU 71 N 0.29 -0.41 -1.00 1.82 4.39 -1.84 0.08 114.58 117.90 1j3i h GLU 71 Ca -0.01 0.03 0.23 0.00 0.34 0.00 0.00 59.36 59.94 1j3i h GLU 71 Cb 1.18 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 29.83 1j3i h GLU 71 CO 0.11 -0.27 0.63 0.87 -1.16 0.00 0.00 179.01 179.18 1j3i h LYS 72 N -0.43 0.55 0.34 2.33 1.79 -1.91 -1.71 116.57 117.53 1j3i h LYS 72 Ca 0.10 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1j3i h LYS 72 Cb 0.60 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1j3i h LYS 72 CO -0.43 0.36 -0.17 -0.07 -1.08 0.00 0.00 179.45 178.06 1j3i h LEU 73 N 0.56 -0.39 -0.09 2.94 3.38 -1.11 -1.40 115.31 119.21 1j3i h LEU 73 Ca 0.58 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.41 1j3i h LEU 73 Cb 1.19 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1j3i h LEU 73 CO -0.35 -0.06 0.03 0.50 0.09 0.00 0.00 178.44 178.65 1j3i h LYS 74 N -0.75 0.13 -0.88 1.13 3.64 -1.04 0.36 116.57 119.16 1j3i h LYS 74 Ca -0.05 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.42 1j3i h LYS 74 Cb 0.51 -0.02 -0.13 0.00 -0.41 0.00 0.00 32.23 32.18 1j3i h LYS 74 CO 0.08 0.29 -0.47 -0.92 -2.27 0.00 0.00 179.45 176.16 1j3i h TYR 75 N -0.05 -1.41 -0.37 1.91 3.20 -1.39 0.97 116.97 119.82 1j3i h TYR 75 Ca 0.03 0.11 0.08 0.00 3.14 0.00 0.00 58.73 62.08 1j3i h TYR 75 Cb 0.21 0.74 -0.09 0.00 1.54 0.00 0.00 36.73 39.13 1j3i h TYR 75 CO -0.00 -0.40 -0.29 -0.22 -1.64 0.00 0.00 178.16 175.60 1j3i h LYS 76 N -0.07 -0.23 0.17 1.82 1.63 -0.52 -2.42 116.57 116.96 1j3i h LYS 76 Ca 0.24 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.04 1j3i h LYS 76 Cb 0.53 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 1j3i h LYS 76 CO -0.89 -0.15 -0.08 0.00 -3.45 0.00 0.00 179.45 174.88 1j3i h ARG 77 N -0.24 -0.22 -0.83 1.90 3.08 0.48 -3.03 114.38 115.52 1j3i h ARG 77 Ca 0.17 0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.41 1j3i h ARG 77 Cb 0.51 0.05 -0.16 0.00 0.08 0.00 0.00 29.97 30.46 1j3i h ARG 77 CO -0.50 -0.15 -0.14 0.00 -1.07 0.00 0.00 179.97 178.10 1j3i h LYS 79 N 0.02 -0.32 -0.84 0.00 1.63 -1.53 0.16 116.57 115.68 1j3i h LYS 79 Ca 0.42 0.02 0.13 0.00 -0.85 0.00 0.00 60.65 60.37 1j3i h LYS 79 Cb 0.69 0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 32.31 1j3i h LYS 79 CO -0.83 -0.22 0.46 -0.92 -3.45 0.00 0.00 179.45 174.49 1j3i h TYR 80 N -0.34 0.81 0.00 1.91 3.20 -0.56 0.31 116.97 122.31 1j3i h TYR 80 Ca 0.13 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1j3i h TYR 80 Cb 0.54 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1j3i h TYR 80 CO -0.47 0.25 0.00 1.28 -1.64 0.00 0.00 178.16 177.58 1j3i n LEU 81 N -4.81 0.00 0.00 2.82 4.77 0.34 -4.86 117.00 115.25 1j3i n LEU 81 Ca 0.16 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1j3i n LEU 81 Cb 0.37 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1j3i n LEU 81 CO 0.23 -0.07 0.00 0.59 -1.33 0.00 0.00 177.39 176.81 1j3i n ASN 82 N -1.19 0.00 -4.91 -1.43 3.02 0.11 -4.96 115.26 105.90 1j3i n ASN 82 Ca 0.11 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.46 1j3i n ASN 82 Cb 0.12 -1.48 -0.02 0.00 -0.61 0.00 0.00 39.78 37.79 1j3i n ASN 82 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1j3i s LYS 83 N -0.52 2.56 -0.20 3.52 -2.85 -1.02 -4.98 119.74 116.25 1j3i s LYS 83 Ca 0.00 -1.52 -0.21 0.00 -1.00 0.00 0.00 55.97 53.24 1j3i s LYS 83 Cb 0.00 -2.45 -0.19 0.00 -2.06 0.00 0.00 37.83 33.13 1j3i s LYS 83 CO 0.00 -0.27 0.23 0.93 0.10 0.00 0.00 175.35 176.34 1j3i h GLU 84 N 0.89 0.00 -3.10 1.78 4.39 -1.93 -3.33 114.58 113.29 1j3i h GLU 84 Ca -0.40 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.27 1j3i h GLU 84 Cb 1.27 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.80 1j3i h GLU 84 CO 0.54 0.96 0.14 -0.08 -1.16 0.00 0.00 179.01 179.41 1j3i s THR 85 N -2.35 0.02 -0.43 1.13 -1.32 -1.26 -4.75 115.64 106.68 1j3i s THR 85 Ca -0.28 -0.17 -0.08 0.00 -1.21 0.00 0.00 61.69 59.96 1j3i s THR 85 Cb 0.05 -1.07 0.10 0.00 -1.51 0.00 0.00 72.50 70.07 1j3i s THR 85 CO 0.58 -0.07 0.27 0.54 -2.21 0.00 0.00 174.62 173.73 1j3i s VAL 86 N -3.77 4.02 -1.07 5.08 0.11 -1.26 -5.14 120.40 118.37 1j3i s VAL 86 Ca 0.02 -1.64 0.02 0.00 -2.93 0.00 0.00 61.98 57.45 1j3i s VAL 86 Cb -0.00 -3.57 0.02 0.00 -1.53 0.00 0.00 36.38 31.30 1j3i s VAL 86 CO -0.12 -0.61 1.04 0.47 -3.33 0.00 0.00 175.10 172.54 1j3i n ASP 91 N 4.85 0.00 -4.22 3.54 9.92 -1.26 -4.95 116.55 124.42 1j3i n ASP 91 Ca -0.08 0.46 -0.41 0.00 -0.53 0.00 0.00 54.79 54.23 1j3i n ASP 91 Cb 0.42 -0.46 -0.03 0.00 -0.64 0.00 0.00 41.12 40.40 1j3i n ASP 91 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1j3i s MET 92 N -2.93 3.69 -0.71 -1.24 1.75 -1.26 -4.94 119.30 113.66 1j3i s MET 92 Ca 0.01 -3.18 -0.26 0.00 -1.25 0.00 0.00 55.69 51.01 1j3i s MET 92 Cb 0.01 -4.25 -0.01 0.00 2.84 0.00 0.00 34.83 33.43 1j3i s MET 92 CO 0.04 -1.25 1.73 -2.14 -0.65 0.00 0.00 175.02 172.74 1j3i s PRO 93 N -1.18 2.79 -1.08 4.11 0.02 -1.26 -4.12 135.00 134.28 1j3i s PRO 93 Ca 0.28 0.20 -0.07 0.00 0.02 0.00 0.00 61.00 61.43 1j3i s PRO 93 Cb -0.09 -4.50 -0.05 0.00 0.02 0.00 0.00 34.50 29.88 1j3i s PRO 93 CO -0.10 -2.68 0.91 0.09 -0.33 0.00 0.00 177.00 174.89 1j3i n ASN 94 N 12.01 -5.90 -0.05 2.53 5.03 -1.26 -3.91 115.26 123.72 1j3i n ASN 94 Ca 0.20 -0.74 -0.01 0.00 0.87 0.00 0.00 54.58 54.90 1j3i n ASN 94 Cb 0.51 -4.94 -0.00 0.00 -1.02 0.00 0.00 39.78 34.32 1j3i n ASN 94 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1j3i n SER 95 N -3.14 -3.65 -1.24 6.41 2.88 -1.26 -4.16 113.62 109.46 1j3i n SER 95 Ca -0.10 0.01 -0.16 0.00 -1.33 0.00 0.00 58.87 57.29 1j3i n SER 95 Cb 0.62 -1.21 -0.07 0.00 -0.75 0.00 0.00 64.21 62.81 1j3i n SER 95 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1j3i n LYS 96 N -2.21 -1.12 -3.62 -1.46 0.00 -1.25 -4.97 118.16 103.53 1j3i n LYS 96 Ca -0.01 1.06 -0.02 0.00 0.00 0.00 0.00 58.31 59.35 1j3i n LYS 96 Cb 0.12 -5.24 -0.06 0.00 0.00 0.00 0.00 35.03 29.84 1j3i n LYS 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1j3i s LYS 97 N -3.38 0.36 0.70 1.64 -2.85 -1.26 -5.11 119.74 109.85 1j3i s LYS 97 Ca 0.00 0.65 -0.16 0.00 -1.00 0.00 0.00 55.97 55.47 1j3i s LYS 97 Cb 0.00 0.11 0.02 0.00 -2.06 0.00 0.00 37.83 35.90 1j3i s LYS 97 CO 0.00 -0.08 1.19 -1.17 0.10 0.00 0.00 175.35 175.39 1j3i s LEU 98 N 1.43 3.38 0.37 2.77 2.96 -1.26 -5.04 118.68 123.30 1j3i s LEU 98 Ca -0.08 2.30 -0.09 0.00 -0.22 0.00 0.00 54.13 56.04 1j3i s LEU 98 Cb -0.04 -4.58 0.03 0.00 0.50 0.00 0.00 46.19 42.10 1j3i s LEU 98 CO -0.15 -2.05 0.64 -1.10 -1.32 0.00 0.00 176.35 172.37 1j3i s GLN 99 N -3.85 2.11 0.33 1.98 -0.21 -1.26 -4.97 119.66 113.79 1j3i s GLN 99 Ca 0.74 -1.63 0.08 0.00 0.02 0.00 0.00 55.36 54.56 1j3i s GLN 99 Cb -0.28 0.54 -0.04 0.00 1.00 0.00 0.00 33.01 34.23 1j3i s GLN 99 CO 0.43 -0.94 0.18 -0.80 -2.12 0.00 0.00 175.29 172.04 1j3i s ASN 100 N -3.17 4.88 -0.12 5.90 0.01 -1.26 0.11 114.94 121.29 1j3i s ASN 100 Ca 0.23 -0.67 -0.03 0.00 -0.71 0.00 0.00 52.86 51.67 1j3i s ASN 100 Cb -0.03 -0.82 -0.03 0.00 0.41 0.00 0.00 41.25 40.78 1j3i s ASN 100 CO 0.17 -0.30 -0.00 -0.69 -1.51 0.00 0.00 177.10 174.77 1j3i s VAL 101 N -2.38 4.26 -0.34 1.60 1.01 -0.28 -0.57 120.40 123.70 1j3i s VAL 101 Ca 0.38 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1j3i s VAL 101 Cb -0.04 -2.84 0.10 0.00 0.00 0.00 0.00 36.38 33.60 1j3i s VAL 101 CO 0.24 0.54 0.05 0.68 0.00 0.00 0.00 175.10 176.62 1j3i s VAL 102 N -0.27 2.39 -0.22 2.92 -7.23 -0.83 0.12 120.40 117.27 1j3i s VAL 102 Ca 0.06 -2.25 -0.23 0.00 -1.81 0.00 0.00 61.98 57.75 1j3i s VAL 102 Cb -0.12 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 1j3i s VAL 102 CO 0.02 -0.56 0.75 -0.69 -0.31 0.00 0.00 175.10 174.31 1j3i s VAL 103 N 0.95 4.92 0.18 1.32 1.01 0.85 -2.52 120.40 127.11 1j3i s VAL 103 Ca 0.09 1.41 0.01 0.00 0.00 0.00 0.00 61.98 63.49 1j3i s VAL 103 Cb -0.20 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1j3i s VAL 103 CO -0.07 0.01 0.03 0.00 0.00 0.00 0.00 175.10 175.06 1j3i s MET 104 N 2.41 1.15 0.63 2.72 0.23 -0.62 -0.52 119.30 125.30 1j3i s MET 104 Ca 0.32 -1.57 -0.03 0.00 -1.03 0.00 0.00 55.69 53.39 1j3i s MET 104 Cb -0.16 -0.21 0.05 0.00 -1.53 0.00 0.00 34.83 32.98 1j3i s MET 104 CO 0.09 -0.18 0.90 0.20 -2.03 0.00 0.00 175.02 174.01 1j3i s GLY 105 N -3.19 1.76 0.06 3.16 0.00 0.41 -1.66 107.32 107.87 1j3i s GLY 105 Ca 0.27 -1.15 -0.35 0.00 0.00 0.00 0.00 44.72 43.49 1j3i s GLY 105 CO 0.06 -0.79 1.52 -0.09 0.00 0.00 0.00 173.10 173.80 1j3i h ARG 106 N -0.28 -1.15 -0.96 2.90 2.43 -1.91 -0.17 114.38 115.24 1j3i h ARG 106 Ca -0.43 0.08 0.15 0.00 -0.81 0.00 0.00 59.98 58.97 1j3i h ARG 106 Cb 1.30 0.26 -0.09 0.00 -0.42 0.00 0.00 29.97 31.02 1j3i h ARG 106 CO 0.56 -0.76 0.58 1.15 -1.51 0.00 0.00 179.97 179.98 1j3i h THR 107 N -1.19 0.80 -0.55 0.20 2.02 -1.96 0.20 112.91 112.43 1j3i h THR 107 Ca -0.11 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 66.82 1j3i h THR 107 Cb 0.93 -0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 1j3i h THR 107 CO 0.15 0.15 0.31 0.28 0.37 0.00 0.00 175.52 176.78 1j3i h SER 108 N 0.82 0.47 -0.76 4.18 0.02 -1.84 0.30 113.55 116.73 1j3i h SER 108 Ca 0.52 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 1j3i h SER 108 Cb 0.68 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.10 1j3i h SER 108 CO -0.33 0.32 0.48 -0.25 -1.14 0.00 0.00 176.83 175.92 1j3i h TRP 109 N 0.60 0.99 -0.49 3.45 2.91 0.12 -2.65 115.95 120.87 1j3i h TRP 109 Ca 0.23 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.19 1j3i h TRP 109 Cb 0.09 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 28.39 1j3i h TRP 109 CO -0.08 0.64 0.01 0.93 -1.03 0.00 0.00 178.44 178.91 1j3i h GLU 110 N 1.05 0.87 -0.01 2.65 5.08 0.55 -3.10 114.58 121.67 1j3i h GLU 110 Ca 0.28 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1j3i h GLU 110 Cb -0.08 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1j3i h GLU 110 CO -0.06 0.90 0.01 0.66 -1.00 0.00 0.00 179.01 179.52 1j3i h SER 111 N 0.73 0.00 -3.12 1.42 4.64 -0.65 -3.42 113.55 113.14 1j3i h SER 111 Ca 0.14 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.93 1j3i h SER 111 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1j3i h SER 111 CO 0.02 0.00 0.63 -0.63 -0.87 0.00 0.00 176.83 175.98 1j3i s ILE 112 N -4.84 3.89 0.60 0.95 1.01 -1.17 -4.99 121.20 116.64 1j3i s ILE 112 Ca -0.05 1.34 -0.20 0.00 0.00 0.00 0.00 60.65 61.74 1j3i s ILE 112 Cb 0.16 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 1j3i s ILE 112 CO 0.61 0.09 1.31 -2.65 0.00 0.00 0.00 174.94 174.30 1j3i n PRO 113 N 4.16 1.39 0.22 2.79 -0.02 -1.26 -4.81 135.00 137.47 1j3i n PRO 113 Ca 0.10 0.53 0.14 0.00 -2.02 0.00 0.00 63.50 62.25 1j3i n PRO 113 Cb 0.45 -2.54 0.79 0.00 -0.02 0.00 0.00 33.50 32.18 1j3i n PRO 113 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1j3i h LYS 114 N 0.97 0.00 -0.46 -0.52 1.57 -1.93 -0.27 116.57 115.93 1j3i h LYS 114 Ca -0.51 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 1j3i h LYS 114 Cb 1.32 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 1j3i h LYS 114 CO 0.55 0.00 0.18 0.87 -0.57 0.00 0.00 179.45 180.47 1j3i h LYS 115 N 0.00 0.69 -0.62 3.15 1.57 -2.03 -3.10 116.57 116.23 1j3i h LYS 115 Ca 0.06 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1j3i h LYS 115 Cb 0.28 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1j3i h LYS 115 CO -0.00 0.64 0.00 1.19 -0.57 0.00 0.00 179.45 180.71 1j3i n PHE 116 N -4.58 1.14 -4.27 -1.35 3.72 -0.15 -4.93 117.46 107.04 1j3i n PHE 116 Ca 0.01 -0.45 -0.34 0.00 -0.05 0.00 0.00 57.45 56.62 1j3i n PHE 116 Cb 0.16 -0.20 -0.13 0.00 -0.94 0.00 0.00 39.48 38.37 1j3i n PHE 116 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1j3i s LYS 117 N -1.78 3.51 0.22 -1.08 2.20 -0.97 -3.13 119.74 118.72 1j3i s LYS 117 Ca 0.39 -0.59 -0.18 0.00 -0.36 0.00 0.00 55.97 55.23 1j3i s LYS 117 Cb 0.25 -2.91 -0.08 0.00 -1.51 0.00 0.00 37.83 33.57 1j3i s LYS 117 CO 0.19 0.06 0.70 -1.25 -0.36 0.00 0.00 175.35 174.68 1j3i s PRO 118 N 0.82 4.17 -0.45 4.03 0.04 -1.26 -4.96 135.00 137.40 1j3i s PRO 118 Ca -0.02 0.78 -0.43 0.00 0.04 0.00 0.00 61.00 61.37 1j3i s PRO 118 Cb -0.15 -2.83 -0.17 0.00 0.04 0.00 0.00 34.50 31.39 1j3i s PRO 118 CO 0.02 0.38 2.00 1.28 0.04 0.00 0.00 177.00 180.71 1j3i n LEU 119 N 0.59 1.27 -4.57 -3.56 4.77 -1.18 -4.87 117.00 109.45 1j3i n LEU 119 Ca -0.02 0.78 -0.50 0.00 -0.03 0.00 0.00 56.01 56.24 1j3i n LEU 119 Cb 0.51 -0.99 -0.05 0.00 -2.33 0.00 0.00 43.42 40.57 1j3i n LEU 119 CO 0.43 -0.74 0.73 -1.54 -1.33 0.00 0.00 177.39 174.94 1j3i n SER 120 N 6.98 1.30 -0.73 -1.43 3.41 -1.26 -1.77 113.62 120.10 1j3i n SER 120 Ca 0.45 1.14 -0.10 0.00 -0.26 0.00 0.00 58.87 60.10 1j3i n SER 120 Cb 0.02 -1.19 -0.04 0.00 -0.26 0.00 0.00 64.21 62.74 1j3i n SER 120 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1j3i n ASN 121 N 2.09 -5.00 -4.11 4.04 5.03 -1.26 -4.96 115.26 111.09 1j3i n ASN 121 Ca 0.16 0.24 -0.21 0.00 0.87 0.00 0.00 54.58 55.64 1j3i n ASN 121 Cb 0.23 -3.34 -0.14 0.00 -1.02 0.00 0.00 39.78 35.51 1j3i n ASN 121 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1j3i s ARG 122 N -2.61 1.01 -0.87 3.52 0.52 -0.73 -4.39 118.95 115.40 1j3i s ARG 122 Ca 0.00 -0.59 -0.24 0.00 -0.52 0.00 0.00 55.73 54.38 1j3i s ARG 122 Cb 0.00 -0.99 0.05 0.00 0.52 0.00 0.00 34.95 34.53 1j3i s ARG 122 CO 0.00 0.26 1.32 0.42 0.02 0.00 0.00 175.30 177.32 1j3i s ILE 123 N -0.54 3.91 0.42 1.52 1.01 0.26 -4.76 121.20 123.02 1j3i s ILE 123 Ca 0.04 -0.28 -0.25 0.00 0.00 0.00 0.00 60.65 60.15 1j3i s ILE 123 Cb -0.06 -4.96 -0.08 0.00 0.01 0.00 0.00 42.46 37.37 1j3i s ILE 123 CO 0.00 -1.84 1.21 0.20 0.00 0.00 0.00 174.94 174.50 1j3i s ASN 124 N 4.27 6.36 -0.15 3.58 0.02 -1.26 -1.97 114.94 125.80 1j3i s ASN 124 Ca 0.39 2.43 -0.07 0.00 -1.02 0.00 0.00 52.86 54.59 1j3i s ASN 124 Cb -0.05 -2.62 0.06 0.00 0.02 0.00 0.00 41.25 38.66 1j3i s ASN 124 CO 0.02 -0.79 0.33 -0.69 0.02 0.00 0.00 177.10 175.99 1j3i s VAL 125 N -1.40 -0.21 0.20 1.60 1.01 -1.05 -2.69 120.40 117.88 1j3i s VAL 125 Ca 0.59 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.80 1j3i s VAL 125 Cb -0.32 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1j3i s VAL 125 CO 0.41 0.07 0.07 -0.63 0.00 0.00 0.00 175.10 175.01 1j3i s ILE 126 N 1.75 3.99 -0.46 2.22 1.01 -1.22 -1.59 121.20 126.90 1j3i s ILE 126 Ca -0.06 -1.43 0.04 0.00 0.00 0.00 0.00 60.65 59.20 1j3i s ILE 126 Cb -0.10 -3.06 0.12 0.00 0.01 0.00 0.00 42.46 39.43 1j3i s ILE 126 CO -0.11 -0.20 0.20 -0.76 0.00 0.00 0.00 174.94 174.08 1j3i s LEU 127 N -3.27 4.08 -0.05 2.97 1.02 -0.66 -1.02 118.68 121.75 1j3i s LEU 127 Ca 0.30 -2.72 -0.01 0.00 0.02 0.00 0.00 54.13 51.73 1j3i s LEU 127 Cb -0.09 -1.52 0.03 0.00 0.02 0.00 0.00 46.19 44.63 1j3i s LEU 127 CO 0.21 -0.28 0.01 -0.55 0.02 0.00 0.00 176.35 175.76 1j3i s SER 128 N 0.14 1.11 0.00 2.29 0.15 -1.08 -3.75 113.70 112.56 1j3i s SER 128 Ca 0.15 -0.05 0.18 0.00 0.70 0.00 0.00 55.95 56.94 1j3i s SER 128 Cb -0.24 -0.33 0.92 0.00 -1.71 0.00 0.00 66.02 64.66 1j3i s SER 128 CO -0.03 -0.16 1.61 0.54 1.20 0.00 0.00 173.24 176.40 1j3i n ARG 129 N 4.76 1.22 0.00 5.44 1.74 -1.26 -3.57 116.66 124.99 1j3i n ARG 129 Ca -0.14 -0.34 0.00 0.00 -0.77 0.00 0.00 57.85 56.60 1j3i n ARG 129 Cb 0.50 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 1j3i n ARG 129 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1j3i n THR 130 N -0.43 0.00 -2.96 0.55 -2.24 -1.26 -5.05 114.28 102.89 1j3i n THR 130 Ca 0.14 -0.09 -0.38 0.00 -2.27 0.00 0.00 64.05 61.45 1j3i n THR 130 Cb 0.14 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 68.90 1j3i n THR 130 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1j3i s LEU 131 N -2.79 4.44 -0.28 3.22 1.43 -1.23 -5.04 118.68 118.44 1j3i s LEU 131 Ca 0.00 1.64 -0.14 0.00 -1.03 0.00 0.00 54.13 54.59 1j3i s LEU 131 Cb 0.00 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 1j3i s LEU 131 CO 0.00 0.07 0.34 -0.54 0.23 0.00 0.00 176.35 176.45 1j3i s LYS 132 N -1.67 3.95 0.38 1.70 3.01 -1.26 -4.95 119.74 120.90 1j3i s LYS 132 Ca 0.42 -0.08 0.14 0.00 -1.01 0.00 0.00 55.97 55.44 1j3i s LYS 132 Cb -0.20 -3.67 0.99 0.00 -1.01 0.00 0.00 37.83 33.94 1j3i s LYS 132 CO 0.24 -0.29 1.82 0.87 0.51 0.00 0.00 175.35 178.50 1j3i h LYS 133 N 8.25 0.49 -0.96 1.68 1.57 -1.96 -2.58 116.57 123.07 1j3i h LYS 133 Ca -0.32 -0.03 0.28 0.00 -1.87 0.00 0.00 60.65 58.71 1j3i h LYS 133 Cb 1.17 -0.11 -0.18 0.00 0.08 0.00 0.00 32.23 33.19 1j3i h LYS 133 CO 0.63 0.33 0.09 0.39 -0.57 0.00 0.00 179.45 180.32 1j3i n GLU 134 N -4.60 -0.07 -0.37 3.15 4.71 -1.26 -0.01 120.64 122.19 1j3i n GLU 134 Ca 0.22 1.42 0.04 0.00 -0.01 0.00 0.00 57.16 58.83 1j3i n GLU 134 Cb 0.70 -2.30 0.18 0.00 -1.01 0.00 0.00 31.44 29.02 1j3i n GLU 134 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1j3i n ASP 135 N -5.39 2.92 -4.42 1.62 -0.08 -0.97 -4.86 116.55 105.36 1j3i n ASP 135 Ca 0.25 -2.33 -0.30 0.00 -1.51 0.00 0.00 54.79 50.89 1j3i n ASP 135 Cb 0.81 -0.50 -0.13 0.00 2.34 0.00 0.00 41.12 43.64 1j3i n ASP 135 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1j3i s PHE 136 N -1.76 2.44 1.29 -0.67 0.08 0.99 -5.12 117.98 115.23 1j3i s PHE 136 Ca 0.25 -0.33 -0.21 0.00 0.12 0.00 0.00 56.93 56.77 1j3i s PHE 136 Cb 0.18 -1.37 0.33 0.00 -0.57 0.00 0.00 43.02 41.59 1j3i s PHE 136 CO 0.10 0.28 0.74 -0.25 -0.10 0.00 0.00 175.22 175.98 1j3i n ASP 137 N 1.27 -3.88 0.37 1.36 8.00 -1.26 -4.92 116.55 117.48 1j3i n ASP 137 Ca -0.17 -0.75 -0.17 0.00 0.71 0.00 0.00 54.79 54.42 1j3i n ASP 137 Cb 0.52 -0.88 -0.08 0.00 -0.02 0.00 0.00 41.12 40.66 1j3i n ASP 137 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1j3i h GLU 138 N 0.00 -0.90 -0.53 -1.24 3.07 -2.00 -3.30 114.58 109.69 1j3i h GLU 138 Ca -0.34 0.06 0.02 0.00 -0.50 0.00 0.00 59.36 58.60 1j3i h GLU 138 Cb 1.14 0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 29.22 1j3i h GLU 138 CO 0.20 -0.57 0.33 0.38 -1.40 0.00 0.00 179.01 177.95 1j3i h ASP 139 N -1.07 0.55 -2.71 1.42 3.04 -1.97 -3.40 116.42 112.28 1j3i h ASP 139 Ca -0.10 -0.00 -0.54 0.00 -3.24 0.00 0.00 57.03 53.15 1j3i h ASP 139 Cb 0.74 -0.12 -0.05 0.00 -1.04 0.00 0.00 39.33 38.86 1j3i h ASP 139 CO 0.16 0.39 1.16 -0.69 -2.04 0.00 0.00 179.24 178.22 1j3i s VAL 140 N -6.14 3.70 0.90 4.15 1.01 -1.24 -4.45 120.40 118.31 1j3i s VAL 140 Ca -0.13 0.60 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 1j3i s VAL 140 Cb 0.13 -4.26 0.18 0.00 0.00 0.00 0.00 36.38 32.43 1j3i s VAL 140 CO 0.74 -1.01 1.23 -0.31 0.00 0.00 0.00 175.10 175.75 1j3i s TYR 141 N 6.54 1.57 -0.01 5.22 2.02 -1.09 -4.36 117.35 127.24 1j3i s TYR 141 Ca 0.58 0.14 -0.16 0.00 -0.37 0.00 0.00 57.07 57.27 1j3i s TYR 141 Cb -0.13 -3.80 0.03 0.00 -0.40 0.00 0.00 41.96 37.66 1j3i s TYR 141 CO 0.26 -2.40 0.34 0.42 -1.57 0.00 0.00 175.55 172.61 1j3i s ILE 142 N -3.68 0.05 0.08 2.71 -1.09 -1.26 -3.37 121.20 114.65 1j3i s ILE 142 Ca 0.72 -0.45 0.03 0.00 -2.23 0.00 0.00 60.65 58.72 1j3i s ILE 142 Cb -0.04 -0.68 -0.03 0.00 -1.58 0.00 0.00 42.46 40.12 1j3i s ILE 142 CO 0.51 -0.25 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.25 1j3i s ILE 143 N -1.44 0.78 -0.18 2.92 1.01 -0.19 -4.87 121.20 119.22 1j3i s ILE 143 Ca -0.13 -1.58 -0.21 0.00 0.00 0.00 0.00 60.65 58.73 1j3i s ILE 143 Cb -0.04 -1.26 -0.21 0.00 0.01 0.00 0.00 42.46 40.95 1j3i s ILE 143 CO 0.04 -0.59 0.33 -1.13 0.00 0.00 0.00 174.94 173.59 1j3i h ASN 144 N 3.64 0.06 -4.05 3.58 -0.73 -1.87 -2.85 115.58 113.36 1j3i h ASN 144 Ca -0.36 -0.63 -0.30 0.00 1.87 0.00 0.00 56.30 56.88 1j3i h ASN 144 Cb 1.19 -0.02 -0.07 0.00 0.27 0.00 0.00 38.32 39.69 1j3i h ASN 144 CO 0.53 1.45 -0.18 0.29 -0.37 0.00 0.00 177.43 179.15 1j3i n LYS 145 N -4.36 0.66 0.04 6.67 5.02 -1.26 -4.35 118.16 120.58 1j3i n LYS 145 Ca -0.28 -2.80 -0.12 0.00 -2.02 0.00 0.00 58.31 53.08 1j3i n LYS 145 Cb 0.69 2.65 -0.08 0.00 -0.02 0.00 0.00 35.03 38.27 1j3i n LYS 145 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1j3i h VAL 146 N 2.00 1.06 -0.27 -0.18 2.07 -2.01 -2.65 116.25 116.26 1j3i h VAL 146 Ca -0.26 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.09 1j3i h VAL 146 Cb 1.17 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1j3i h VAL 146 CO 0.36 0.06 0.50 -0.33 0.02 0.00 0.00 177.57 178.18 1j3i h GLU 147 N -0.14 0.00 0.00 1.57 3.07 -2.04 -0.65 114.58 116.40 1j3i h GLU 147 Ca -0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1j3i h GLU 147 Cb 0.13 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1j3i h GLU 147 CO 0.01 0.00 -0.41 -0.44 -1.40 0.00 0.00 179.01 176.77 1j3i h ASP 148 N 0.00 0.00 0.11 1.42 3.32 -1.89 -3.36 116.42 116.02 1j3i h ASP 148 Ca 0.13 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1j3i h ASP 148 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1j3i h ASP 148 CO -0.00 0.13 -0.05 0.25 -1.72 0.00 0.00 179.24 177.85 1j3i h LEU 149 N 0.00 -0.12 -1.58 1.55 5.85 -1.18 -2.42 115.31 117.40 1j3i h LEU 149 Ca -0.01 -0.08 0.27 0.00 0.84 0.00 0.00 57.88 58.90 1j3i h LEU 149 Cb 1.11 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.10 1j3i h LEU 149 CO 0.01 0.00 0.69 0.40 -0.34 0.00 0.00 178.44 179.20 1j3i h ILE 150 N -0.24 0.53 -0.14 4.05 1.08 -1.71 0.86 117.51 121.95 1j3i h ILE 150 Ca -0.01 -0.09 -0.09 0.00 -0.39 0.00 0.00 64.86 64.27 1j3i h ILE 150 Cb 0.19 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 34.17 1j3i h ILE 150 CO 0.02 0.05 -0.27 0.58 -0.69 0.00 0.00 178.15 177.84 1j3i h VAL 151 N 0.27 1.37 0.00 1.67 2.07 -1.64 -2.81 116.25 117.18 1j3i h VAL 151 Ca 0.55 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1j3i h VAL 151 Cb 1.61 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1j3i h VAL 151 CO -0.19 0.46 -0.09 0.25 0.02 0.00 0.00 177.57 178.02 1j3i h LEU 152 N 0.02 0.00 -0.17 2.57 5.85 -0.42 -1.80 115.31 121.36 1j3i h LEU 152 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1j3i h LEU 152 Cb 0.86 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1j3i h LEU 152 CO 0.06 0.09 -0.69 -0.07 -0.34 0.00 0.00 178.44 177.49 1j3i h LEU 153 N 0.00 0.00 -0.59 2.25 3.38 -1.09 -3.21 115.31 116.05 1j3i h LEU 153 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1j3i h LEU 153 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1j3i h LEU 153 CO 0.01 0.69 -0.61 1.23 0.09 0.00 0.00 178.44 179.84 1j3i h GLY 154 N 3.01 0.35 -1.93 0.83 0.00 -1.06 -3.06 103.07 101.20 1j3i h GLY 154 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1j3i h GLY 154 CO 0.09 0.39 0.00 0.28 0.00 0.00 0.00 176.54 177.30 1j3i n LYS 155 N -3.88 2.42 -4.47 4.80 5.02 -1.17 -4.80 118.16 116.08 1j3i n LYS 155 Ca -0.03 -1.75 -0.23 0.00 -2.02 0.00 0.00 58.31 54.28 1j3i n LYS 155 Cb 0.63 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.18 2.60 -0.42 -0.35 1.43 -1.16 -5.00 118.68 114.60 1j3i s LEU 156 Ca 0.32 -1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.26 1j3i s LEU 156 Cb 0.19 -0.86 0.11 0.00 0.03 0.00 0.00 46.19 45.66 1j3i s LEU 156 CO 0.18 -0.20 0.20 0.20 0.23 0.00 0.00 176.35 176.97 1j3i s ASN 157 N -3.50 5.18 0.08 2.29 0.01 -1.26 -4.95 114.94 112.78 1j3i s ASN 157 Ca 0.30 -2.12 0.01 0.00 -0.71 0.00 0.00 52.86 50.34 1j3i s ASN 157 Cb 0.01 -1.80 -0.04 0.00 0.41 0.00 0.00 41.25 39.83 1j3i s ASN 157 CO 0.14 -0.51 -0.05 -0.72 -1.51 0.00 0.00 177.10 174.44 1j3i s TYR 158 N 1.01 0.73 -0.02 2.20 1.13 -1.26 -4.39 117.35 116.75 1j3i s TYR 158 Ca 0.09 -0.91 -0.00 0.00 -1.41 0.00 0.00 57.07 54.84 1j3i s TYR 158 Cb -0.22 -0.45 -0.00 0.00 -1.10 0.00 0.00 41.96 40.18 1j3i s TYR 158 CO -0.05 -0.22 0.00 -0.92 -2.51 0.00 0.00 175.55 171.86 1j3i h TYR 159 N 3.22 -0.00 -4.01 -3.49 3.20 0.46 -3.47 116.97 112.88 1j3i h TYR 159 Ca -0.35 -0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.33 1j3i h TYR 159 Cb 1.16 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 39.27 1j3i h TYR 159 CO 0.58 -0.00 -0.70 0.15 -1.64 0.00 0.00 178.16 176.55 1j3i s LYS 160 N -1.14 0.64 -0.23 1.82 1.02 -1.26 -4.93 119.74 115.66 1j3i s LYS 160 Ca -0.00 -1.11 -0.05 0.00 0.02 0.00 0.00 55.97 54.83 1j3i s LYS 160 Cb 0.00 -0.03 -0.02 0.00 -0.52 0.00 0.00 37.83 37.26 1j3i s LYS 160 CO 0.00 -0.04 0.00 0.00 -0.92 0.00 0.00 175.35 174.39 1j3i s PHE 162 N 1.43 3.03 -0.37 0.00 0.08 0.31 -0.39 117.98 122.07 1j3i s PHE 162 Ca 0.05 -0.63 -0.24 0.00 0.12 0.00 0.00 56.93 56.23 1j3i s PHE 162 Cb -0.15 -2.16 0.01 0.00 -0.57 0.00 0.00 43.02 40.15 1j3i s PHE 162 CO 0.00 -0.42 0.81 0.42 -0.10 0.00 0.00 175.22 175.94 1j3i s ILE 163 N 1.47 4.70 -0.33 0.64 -1.09 0.19 -0.10 121.20 126.67 1j3i s ILE 163 Ca 0.05 0.94 0.09 0.00 -2.23 0.00 0.00 60.65 59.50 1j3i s ILE 163 Cb -0.15 -4.24 0.61 0.00 -1.58 0.00 0.00 42.46 37.11 1j3i s ILE 163 CO 0.01 -0.46 1.68 2.30 -1.23 0.00 0.00 174.94 177.23 1j3i n ILE 164 N 5.84 2.81 0.00 2.92 -5.35 0.32 -2.53 119.36 123.36 1j3i n ILE 164 Ca 0.04 -2.15 0.00 0.00 -0.27 0.00 0.00 62.75 60.37 1j3i n ILE 164 Cb 0.48 -0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.02 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 -0.84 0.81 0.00 3.28 0.00 -1.26 -4.92 105.19 102.27 1j3i n GLY 165 Ca 0.42 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 0.80 1.43 0.33 -0.02 0.00 -1.26 -0.44 105.19 106.03 1j3i n GLY 166 Ca 0.00 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.45 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 0.56 -0.23 1.61 4.64 -1.97 -0.74 113.55 117.43 1j3i h SER 167 Ca 0.00 0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 61.38 1j3i h SER 167 Cb 0.00 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1j3i h SER 167 CO 0.00 0.12 -0.12 0.58 -0.87 0.00 0.00 176.83 176.54 1j3i h VAL 168 N 0.57 1.31 0.09 0.95 2.07 -1.95 -1.03 116.25 118.25 1j3i h VAL 168 Ca 0.57 -1.21 0.02 0.00 0.82 0.00 0.00 66.70 66.90 1j3i h VAL 168 Cb 1.01 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 1j3i h VAL 168 CO -0.45 0.37 -0.20 0.58 0.02 0.00 0.00 177.57 177.89 1j3i h VAL 169 N 0.19 0.55 0.26 2.57 2.07 -1.70 -2.60 116.25 117.59 1j3i h VAL 169 Ca 0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 1j3i h VAL 169 Cb 0.63 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1j3i h VAL 169 CO 0.04 0.00 -0.31 1.88 0.02 0.00 0.00 177.57 179.20 1j3i h TYR 170 N -0.37 -0.83 -0.74 1.57 0.05 -1.15 -2.35 116.97 113.16 1j3i h TYR 170 Ca 0.03 0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.89 1j3i h TYR 170 Cb 0.39 0.33 -0.09 0.00 1.01 0.00 0.00 36.73 38.38 1j3i h TYR 170 CO -0.20 -0.43 -0.44 0.94 -1.05 0.00 0.00 178.16 176.98 1j3i n GLN 171 N -5.42 -0.33 -0.11 4.88 -0.06 -0.39 -1.78 117.38 114.16 1j3i n GLN 171 Ca -0.08 1.23 -0.12 0.00 -2.00 0.00 0.00 57.00 56.02 1j3i n GLN 171 Cb 0.33 -1.81 -0.03 0.00 -4.06 0.00 0.00 30.24 24.67 1j3i n GLN 171 CO 0.00 0.00 0.00 1.05 -0.20 0.00 0.00 177.06 177.91 1j3i h GLU 172 N 0.00 0.75 -0.25 3.69 4.11 -1.40 -2.93 114.58 118.55 1j3i h GLU 172 Ca 0.12 -0.35 0.07 0.00 0.07 0.00 0.00 59.36 59.27 1j3i h GLU 172 Cb 0.30 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1j3i h GLU 172 CO -0.69 0.97 0.19 0.74 0.07 0.00 0.00 179.01 180.28 1j3i h PHE 173 N 0.53 0.00 -0.01 2.06 0.04 -0.88 0.23 116.94 118.91 1j3i h PHE 173 Ca 0.07 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 1j3i h PHE 173 Cb 0.77 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.92 1j3i h PHE 173 CO 0.06 0.00 -0.14 -0.07 -0.60 0.00 0.00 178.31 177.56 1j3i h LEU 174 N 0.00 0.14 -1.23 1.54 3.38 -1.25 -2.16 115.31 115.73 1j3i h LEU 174 Ca 0.12 -0.75 -0.08 0.00 0.09 0.00 0.00 57.88 57.26 1j3i h LEU 174 Cb 0.49 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1j3i h LEU 174 CO -0.00 0.87 -0.34 1.05 0.09 0.00 0.00 178.44 180.11 1j3i h GLU 175 N -0.59 0.08 0.00 1.13 4.11 -1.24 -1.13 114.58 116.94 1j3i h GLU 175 Ca -0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1j3i h GLU 175 Cb 0.89 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1j3i h GLU 175 CO 0.03 0.41 0.00 1.63 0.07 0.00 0.00 179.01 181.15 1j3i n LYS 176 N -4.12 0.81 -4.22 1.06 5.02 0.76 -4.87 118.16 112.60 1j3i n LYS 176 Ca -0.02 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.94 1j3i n LYS 176 Cb 0.39 -1.20 -0.05 0.00 -0.02 0.00 0.00 35.03 34.16 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 -0.70 -2.41 0.00 1.97 4.76 -0.43 -4.86 118.16 116.49 1j3i n LYS 177 Ca 0.08 0.29 0.11 0.00 -2.87 0.00 0.00 58.31 55.92 1j3i n LYS 177 Cb 0.04 -4.61 0.02 0.00 -1.84 0.00 0.00 35.03 28.64 1j3i n LYS 177 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1j3i n LEU 178 N -4.38 2.23 -4.69 -0.35 4.77 -0.82 -4.62 117.00 109.14 1j3i n LEU 178 Ca -0.10 -0.82 -0.37 0.00 -0.03 0.00 0.00 56.01 54.69 1j3i n LEU 178 Cb 0.58 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.59 1j3i n LEU 178 CO 0.85 0.40 0.05 -0.63 -1.33 0.00 0.00 177.39 176.72 1j3i s ILE 179 N -2.29 5.25 -0.18 -0.08 -1.09 -1.25 -4.22 121.20 117.34 1j3i s ILE 179 Ca 0.20 0.64 -0.07 0.00 -2.23 0.00 0.00 60.65 59.18 1j3i s ILE 179 Cb 0.18 -3.69 -0.22 0.00 -1.58 0.00 0.00 42.46 37.15 1j3i s ILE 179 CO 0.49 0.31 0.15 1.17 -1.23 0.00 0.00 174.94 175.83 1j3i n LYS 180 N 4.09 0.69 -4.04 2.79 4.81 -0.06 -4.76 118.16 121.68 1j3i n LYS 180 Ca -0.10 0.28 -0.08 0.00 -0.87 0.00 0.00 58.31 57.55 1j3i n LYS 180 Cb 0.51 -1.65 -0.10 0.00 0.02 0.00 0.00 35.03 33.81 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 -2.52 0.55 -0.17 1.64 1.02 -1.26 -0.80 119.74 118.21 1j3i s LYS 181 Ca -0.28 -1.02 -0.02 0.00 0.02 0.00 0.00 55.97 54.67 1j3i s LYS 181 Cb 0.08 0.20 0.05 0.00 -0.52 0.00 0.00 37.83 37.63 1j3i s LYS 181 CO 0.68 -0.11 -0.00 0.42 -0.92 0.00 0.00 175.35 175.42 1j3i s ILE 182 N -3.24 0.78 -0.74 2.17 1.01 -0.11 -0.53 121.20 120.53 1j3i s ILE 182 Ca 0.01 -0.55 -0.20 0.00 0.00 0.00 0.00 60.65 59.91 1j3i s ILE 182 Cb 0.03 -1.11 0.11 0.00 0.01 0.00 0.00 42.46 41.49 1j3i s ILE 182 CO -0.08 -0.03 0.94 -0.31 0.00 0.00 0.00 174.94 175.47 1j3i s TYR 183 N 1.76 2.97 -0.33 3.97 1.51 0.19 -1.02 117.35 126.39 1j3i s TYR 183 Ca -0.00 -1.02 -0.13 0.00 -1.01 0.00 0.00 57.07 54.91 1j3i s TYR 183 Cb -0.16 -4.19 -0.02 0.00 -0.11 0.00 0.00 41.96 37.47 1j3i s TYR 183 CO -0.07 -1.47 0.24 0.12 -1.11 0.00 0.00 175.55 173.26 1j3i s PHE 184 N 3.03 3.23 -0.18 2.71 2.19 -0.68 -1.19 117.98 127.09 1j3i s PHE 184 Ca 0.23 -0.15 -0.18 0.00 0.33 0.00 0.00 56.93 57.16 1j3i s PHE 184 Cb -0.14 -2.47 -0.04 0.00 -1.31 0.00 0.00 43.02 39.06 1j3i s PHE 184 CO 0.01 -0.33 0.47 0.99 1.83 0.00 0.00 175.22 178.19 1j3i s THR 185 N 1.74 5.15 -0.45 0.12 2.01 -0.71 -1.00 115.64 122.50 1j3i s THR 185 Ca 0.06 0.88 -0.16 0.00 0.31 0.00 0.00 61.69 62.78 1j3i s THR 185 Cb -0.17 -3.80 0.05 0.00 0.01 0.00 0.00 72.50 68.58 1j3i s THR 185 CO 0.11 0.24 0.41 -0.13 -0.69 0.00 0.00 174.62 174.55 1j3i s ARG 186 N 1.28 3.02 -0.45 4.92 0.52 0.27 -1.46 118.95 127.04 1j3i s ARG 186 Ca 0.23 -1.10 -0.24 0.00 -0.52 0.00 0.00 55.73 54.10 1j3i s ARG 186 Cb -0.15 -4.06 0.03 0.00 0.52 0.00 0.00 34.95 31.29 1j3i s ARG 186 CO 0.09 -0.95 0.84 0.42 0.02 0.00 0.00 175.30 175.73 1j3i s ILE 187 N 1.87 4.57 -1.39 1.52 -1.09 -0.59 -2.43 121.20 123.67 1j3i s ILE 187 Ca 0.07 0.57 -0.10 0.00 -2.23 0.00 0.00 60.65 58.97 1j3i s ILE 187 Cb -0.21 -4.37 0.08 0.00 -1.58 0.00 0.00 42.46 36.39 1j3i s ILE 187 CO 0.09 -0.76 2.26 -3.20 -1.23 0.00 0.00 174.94 172.10 1j3i n ASN 188 N 6.90 6.10 -3.50 3.58 5.15 -0.41 -3.59 115.26 129.49 1j3i n ASN 188 Ca 0.04 -2.96 -0.13 0.00 -0.60 0.00 0.00 54.58 50.93 1j3i n ASN 188 Cb 0.48 -1.51 -0.04 0.00 -0.53 0.00 0.00 39.78 38.19 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 1.51 -0.51 -0.10 1.20 1.04 -1.26 -4.43 113.70 111.16 1j3i s SER 189 Ca 0.50 0.30 -0.11 0.00 0.48 0.00 0.00 55.95 57.12 1j3i s SER 189 Cb 0.14 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.68 1j3i s SER 189 CO -0.05 -0.64 0.25 -0.89 0.98 0.00 0.00 173.24 172.89 1j3i s THR 190 N -2.26 5.32 0.18 2.02 2.01 -1.26 -1.67 115.64 119.97 1j3i s THR 190 Ca -0.02 0.47 -0.02 0.00 0.31 0.00 0.00 61.69 62.42 1j3i s THR 190 Cb -0.01 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1j3i s THR 190 CO -0.02 0.55 0.13 -0.31 -0.69 0.00 0.00 174.62 174.28 1j3i s TYR 191 N -0.64 0.99 0.01 4.92 1.51 -0.99 -4.96 117.35 118.18 1j3i s TYR 191 Ca 0.17 -1.27 -0.27 0.00 -1.01 0.00 0.00 57.07 54.69 1j3i s TYR 191 Cb -0.14 -0.47 -0.04 0.00 -0.11 0.00 0.00 41.96 41.20 1j3i s TYR 191 CO 0.06 -0.62 0.87 -2.00 -1.11 0.00 0.00 175.55 172.75 1j3i s GLU 192 N -4.11 4.54 0.07 -0.62 2.12 -1.26 -3.74 118.70 115.70 1j3i s GLU 192 Ca 0.32 1.23 0.02 0.00 0.36 0.00 0.00 54.97 56.90 1j3i s GLU 192 Cb 0.07 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 1j3i s GLU 192 CO 0.08 0.08 -0.07 0.00 -0.54 0.00 0.00 175.26 174.82 1j3i n ASP 194 N 0.55 3.87 -4.27 0.00 5.68 0.31 -4.96 116.55 117.73 1j3i n ASP 194 Ca -0.16 0.00 -0.25 0.00 -0.50 0.00 0.00 54.79 53.87 1j3i n ASP 194 Cb 0.58 0.69 -0.13 0.00 -1.14 0.00 0.00 41.12 41.11 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 -1.60 1.71 0.04 2.12 -7.23 -1.01 -5.02 120.40 109.40 1j3i s VAL 195 Ca 0.00 -1.34 -0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1j3i s VAL 195 Cb 0.00 -1.51 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 1j3i s VAL 195 CO 0.00 0.11 0.04 -0.36 -0.31 0.00 0.00 175.10 174.58 1j3i s PHE 196 N -0.93 0.29 0.50 2.82 0.40 -1.26 -1.78 117.98 118.01 1j3i s PHE 196 Ca 0.07 -0.65 -0.20 0.00 -0.60 0.00 0.00 56.93 55.55 1j3i s PHE 196 Cb -0.09 -0.21 -0.07 0.00 0.51 0.00 0.00 43.02 43.15 1j3i s PHE 196 CO 0.03 -0.33 1.08 0.12 0.70 0.00 0.00 175.22 176.82 1j3i s PHE 197 N -2.70 2.88 0.69 0.36 2.19 -0.69 -4.85 117.98 115.86 1j3i s PHE 197 Ca -0.04 1.57 -0.14 0.00 0.33 0.00 0.00 56.93 58.64 1j3i s PHE 197 Cb -0.01 -3.18 0.02 0.00 -1.31 0.00 0.00 43.02 38.54 1j3i s PHE 197 CO -0.05 -1.15 1.11 -2.14 1.83 0.00 0.00 175.22 174.82 1j3i s PRO 198 N -3.17 2.62 -0.26 10.12 0.02 -1.26 -4.92 135.00 138.16 1j3i s PRO 198 Ca 0.69 1.35 -0.29 0.00 0.02 0.00 0.00 61.00 62.77 1j3i s PRO 198 Cb -0.20 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.36 1j3i s PRO 198 CO 0.24 -1.38 1.68 -2.00 -0.33 0.00 0.00 177.00 175.21 1j3i s GLU 199 N -4.29 3.63 -0.10 5.54 2.12 -1.26 -4.92 118.70 119.43 1j3i s GLU 199 Ca 0.66 1.58 -0.29 0.00 0.36 0.00 0.00 54.97 57.27 1j3i s GLU 199 Cb -0.20 -4.09 -0.05 0.00 0.26 0.00 0.00 34.13 30.05 1j3i s GLU 199 CO 0.45 -1.49 1.63 0.42 -0.54 0.00 0.00 175.26 175.73 1j3i s ILE 200 N 5.78 3.65 -0.15 -3.70 1.01 -1.26 -4.93 121.20 121.60 1j3i s ILE 200 Ca 0.74 0.77 -0.29 0.00 0.00 0.00 0.00 60.65 61.88 1j3i s ILE 200 Cb -0.24 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 1j3i s ILE 200 CO 0.31 -0.11 1.83 0.21 0.00 0.00 0.00 174.94 177.18 1j3i s ASN 201 N 3.49 6.22 0.58 3.58 3.84 -1.26 -4.85 114.94 126.53 1j3i s ASN 201 Ca 0.72 1.97 0.37 0.00 0.21 0.00 0.00 52.86 56.13 1j3i s ASN 201 Cb -0.31 -2.53 1.72 0.00 -0.55 0.00 0.00 41.25 39.59 1j3i s ASN 201 CO 0.28 -1.34 2.11 1.05 -2.79 0.00 0.00 177.10 176.42 1j3i h GLU 202 N 11.53 0.00 0.00 0.43 4.11 -1.92 -0.81 114.58 127.92 1j3i h GLU 202 Ca -0.39 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.00 1j3i h GLU 202 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1j3i h GLU 202 CO 0.98 0.00 -0.42 -0.91 0.07 0.00 0.00 179.01 178.72 1j3i h ASN 203 N 0.00 0.00 0.15 3.06 2.35 -2.03 -3.34 115.58 115.77 1j3i h ASN 203 Ca 0.00 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.39 1j3i h ASN 203 Cb 0.33 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 1j3i h ASN 203 CO 0.00 0.14 -2.04 -0.62 -1.65 0.00 0.00 177.43 173.26 1j3i n GLU 204 N -3.02 0.73 -4.34 0.81 -0.58 -0.70 -4.82 120.64 108.72 1j3i n GLU 204 Ca 0.02 0.24 -0.19 0.00 -0.42 0.00 0.00 57.16 56.81 1j3i n GLU 204 Cb 0.60 -1.69 -0.10 0.00 -0.57 0.00 0.00 31.44 29.68 1j3i n GLU 204 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1j3i s TYR 205 N -2.56 1.75 -0.05 -0.32 2.02 -0.39 -0.84 117.35 116.95 1j3i s TYR 205 Ca -0.22 -0.54 -0.15 0.00 -0.37 0.00 0.00 57.07 55.79 1j3i s TYR 205 Cb 0.07 -0.83 0.03 0.00 -0.40 0.00 0.00 41.96 40.84 1j3i s TYR 205 CO 0.75 0.36 0.35 1.14 -1.57 0.00 0.00 175.55 176.58 1j3i s GLN 206 N -3.40 0.62 0.10 -0.62 -2.07 -0.74 -4.43 119.66 109.12 1j3i s GLN 206 Ca 0.21 0.05 -0.30 0.00 -1.82 0.00 0.00 55.36 53.49 1j3i s GLN 206 Cb -0.02 0.28 -0.06 0.00 -1.09 0.00 0.00 33.01 32.12 1j3i s GLN 206 CO 0.07 -0.15 1.09 0.42 -1.32 0.00 0.00 175.29 175.40 1j3i s ILE 207 N -0.86 4.18 -0.02 3.63 1.01 -1.26 0.07 121.20 127.94 1j3i s ILE 207 Ca -0.09 1.70 0.01 0.00 0.00 0.00 0.00 60.65 62.26 1j3i s ILE 207 Cb -0.04 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 1j3i s ILE 207 CO 0.03 0.21 0.02 2.30 0.00 0.00 0.00 174.94 177.51 1j3i n ILE 208 N 3.19 0.00 -3.70 2.92 -5.35 0.36 -4.91 119.36 111.86 1j3i n ILE 208 Ca 0.05 -0.29 -0.13 0.00 -0.27 0.00 0.00 62.75 62.11 1j3i n ILE 208 Cb 0.47 0.79 -0.09 0.00 -1.74 0.00 0.00 39.64 39.07 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 -1.49 -0.51 -0.00 7.28 0.01 -1.21 -4.99 113.70 112.79 1j3i s SER 209 Ca 0.00 0.97 0.04 0.00 1.31 0.00 0.00 55.95 58.28 1j3i s SER 209 Cb 0.01 0.99 -0.01 0.00 0.21 0.00 0.00 66.02 67.21 1j3i s SER 209 CO 0.03 -0.18 -0.14 0.68 0.41 0.00 0.00 173.24 174.04 1j3i s VAL 210 N 0.22 1.07 0.44 3.43 -7.23 -1.26 -0.18 120.40 116.89 1j3i s VAL 210 Ca -0.00 -0.66 0.07 0.00 -1.81 0.00 0.00 61.98 59.58 1j3i s VAL 210 Cb -0.03 -0.91 0.07 0.00 0.56 0.00 0.00 36.38 36.07 1j3i s VAL 210 CO 0.01 0.24 0.60 -1.54 -0.31 0.00 0.00 175.10 174.10 1j3i n SER 211 N 2.58 1.64 -4.65 4.85 3.41 0.28 -5.00 113.62 116.73 1j3i n SER 211 Ca -0.15 -2.18 -0.29 0.00 -0.26 0.00 0.00 58.87 55.99 1j3i n SER 211 Cb 0.55 -0.31 0.18 0.00 -0.26 0.00 0.00 64.21 64.37 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 -3.73 2.62 -0.06 4.04 -1.08 -1.26 -4.71 116.67 112.50 1j3i s ASP 212 Ca 0.45 1.48 -0.03 0.00 -0.52 0.00 0.00 52.55 53.94 1j3i s ASP 212 Cb -0.04 -2.15 -0.04 0.00 -1.46 0.00 0.00 42.92 39.23 1j3i s ASP 212 CO 0.29 -3.17 0.08 -0.69 0.52 0.00 0.00 175.17 172.19 1j3i s VAL 213 N -2.81 4.86 0.24 1.11 1.01 -1.26 -4.41 120.40 119.14 1j3i s VAL 213 Ca 0.65 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.45 1j3i s VAL 213 Cb -0.20 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1j3i s VAL 213 CO 0.59 0.49 0.10 -0.31 0.00 0.00 0.00 175.10 175.96 1j3i s TYR 214 N -1.07 1.46 -0.11 5.22 1.51 -0.49 -4.98 117.35 118.88 1j3i s TYR 214 Ca 0.18 -1.20 0.02 0.00 -1.01 0.00 0.00 57.07 55.06 1j3i s TYR 214 Cb -0.12 -0.84 0.01 0.00 -0.11 0.00 0.00 41.96 40.91 1j3i s TYR 214 CO 0.08 -0.37 -0.17 0.99 -1.11 0.00 0.00 175.55 174.97 1j3i s THR 215 N -3.81 1.64 -0.10 -0.71 2.01 -1.26 -0.88 115.64 112.52 1j3i s THR 215 Ca 0.37 -0.73 -0.07 0.00 0.31 0.00 0.00 61.69 61.57 1j3i s THR 215 Cb 0.08 -1.48 0.04 0.00 0.01 0.00 0.00 72.50 71.14 1j3i s THR 215 CO 0.13 0.47 0.26 -0.55 -0.69 0.00 0.00 174.62 174.24 1j3i s SER 216 N 0.91 -0.28 -1.26 3.53 0.15 0.07 -4.93 113.70 111.88 1j3i s SER 216 Ca -0.07 0.54 -0.23 0.00 0.70 0.00 0.00 55.95 56.89 1j3i s SER 216 Cb -0.15 0.48 0.02 0.00 -1.71 0.00 0.00 66.02 64.66 1j3i s SER 216 CO -0.01 -0.13 0.60 0.59 1.20 0.00 0.00 173.24 175.49 1j3i n ASN 217 N 3.62 -3.40 -3.65 5.45 4.13 -1.26 -2.38 115.26 117.77 1j3i n ASN 217 Ca -0.19 -1.19 -0.27 0.00 1.68 0.00 0.00 54.58 54.61 1j3i n ASN 217 Cb 0.56 -2.29 0.03 0.00 -1.54 0.00 0.00 39.78 36.53 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 -2.48 -5.10 -3.49 6.41 3.02 -1.26 -4.98 115.26 107.38 1j3i n ASN 218 Ca -0.16 -0.61 -0.14 0.00 -0.03 0.00 0.00 54.58 53.64 1j3i n ASN 218 Cb 0.60 -4.08 -0.04 0.00 -0.61 0.00 0.00 39.78 35.65 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 -3.22 0.00 0.24 3.41 -1.32 -1.00 -5.08 115.64 108.67 1j3i s THR 219 Ca 0.56 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 61.08 1j3i s THR 219 Cb -0.28 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.68 1j3i s THR 219 CO 0.69 0.00 0.38 0.42 -2.21 0.00 0.00 174.62 173.91 1j3i s THR 220 N -2.30 5.24 0.15 5.08 -4.23 -1.26 -0.75 115.64 117.57 1j3i s THR 220 Ca -0.04 -0.84 -0.24 0.00 -1.18 0.00 0.00 61.69 59.39 1j3i s THR 220 Cb -0.00 -3.84 0.07 0.00 1.34 0.00 0.00 72.50 70.07 1j3i s THR 220 CO -0.01 -0.33 0.65 -1.48 -0.54 0.00 0.00 174.62 172.91 1j3i s LEU 221 N -3.91 -0.52 0.20 4.79 2.34 -0.06 -1.29 118.68 120.22 1j3i s LEU 221 Ca 0.35 -0.05 -0.07 0.00 0.06 0.00 0.00 54.13 54.42 1j3i s LEU 221 Cb -0.09 2.53 -0.02 0.00 -0.56 0.00 0.00 46.19 48.05 1j3i s LEU 221 CO 0.30 -0.96 0.29 1.51 -1.06 0.00 0.00 176.35 176.43 1j3i s ASP 222 N -2.73 0.05 -0.13 1.48 -4.77 -1.02 -1.40 116.67 108.15 1j3i s ASP 222 Ca 0.02 -1.05 0.03 0.00 -3.30 0.00 0.00 52.55 48.25 1j3i s ASP 222 Cb -0.01 0.46 0.01 0.00 -1.09 0.00 0.00 42.92 42.28 1j3i s ASP 222 CO -0.11 -0.94 -0.22 -0.36 0.70 0.00 0.00 175.17 174.24 1j3i s PHE 223 N -4.04 2.65 0.25 2.11 0.08 -1.26 -0.57 117.98 117.21 1j3i s PHE 223 Ca 0.25 -1.25 0.11 0.00 0.12 0.00 0.00 56.93 56.16 1j3i s PHE 223 Cb 0.03 -1.80 -0.05 0.00 -0.57 0.00 0.00 43.02 40.64 1j3i s PHE 223 CO 0.06 -0.55 -0.19 0.96 -0.10 0.00 0.00 175.22 175.40 1j3i s ILE 224 N 0.69 2.29 -0.12 0.64 -4.36 -0.17 -0.56 121.20 119.62 1j3i s ILE 224 Ca -0.10 -2.32 0.01 0.00 -0.26 0.00 0.00 60.65 57.99 1j3i s ILE 224 Cb -0.16 -2.22 0.02 0.00 1.25 0.00 0.00 42.46 41.35 1j3i s ILE 224 CO 0.01 -0.41 -0.16 -0.63 0.24 0.00 0.00 174.94 173.99 1j3i s ILE 225 N -2.52 1.56 -0.14 8.37 1.01 0.75 -1.68 121.20 128.55 1j3i s ILE 225 Ca 0.27 -0.67 -0.08 0.00 0.00 0.00 0.00 60.65 60.17 1j3i s ILE 225 Cb -0.04 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1j3i s ILE 225 CO 0.13 0.45 0.14 -0.31 0.00 0.00 0.00 174.94 175.35 1j3i s TYR 226 N 1.07 3.55 -0.01 3.97 2.02 -0.19 -0.49 117.35 127.28 1j3i s TYR 226 Ca -0.04 0.49 0.07 0.00 -0.37 0.00 0.00 57.07 57.22 1j3i s TYR 226 Cb -0.15 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.39 1j3i s TYR 226 CO -0.03 0.61 -0.24 0.21 -1.57 0.00 0.00 175.55 174.53 1j3i s LYS 227 N -0.64 1.92 -0.02 -0.62 2.20 0.11 -0.93 119.74 121.75 1j3i s LYS 227 Ca 0.13 -0.88 -0.30 0.00 -0.36 0.00 0.00 55.97 54.57 1j3i s LYS 227 Cb -0.12 -1.87 -0.07 0.00 -1.51 0.00 0.00 37.83 34.26 1j3i s LYS 227 CO 0.03 0.51 1.84 0.21 -0.36 0.00 0.00 175.35 177.58 1j3i s LYS 228 N -0.63 4.10 0.57 4.03 2.36 0.02 -1.80 119.74 128.40 1j3i s LYS 228 Ca 0.09 2.39 -0.17 0.00 -2.55 0.00 0.00 55.97 55.73 1j3i s LYS 228 Cb -0.09 -4.10 -0.05 0.00 -1.05 0.00 0.00 37.83 32.54 1j3i s LYS 228 CO -0.01 -0.97 1.06 0.95 1.55 0.00 0.00 175.35 177.93 1j3i s THR 229 N 4.49 3.72 -1.25 3.43 -4.23 -0.02 -4.94 115.64 116.84 1j3i s THR 229 Ca 0.82 0.89 -0.07 0.00 -1.18 0.00 0.00 61.69 62.15 1j3i s THR 229 Cb -0.38 -3.37 0.19 0.00 1.34 0.00 0.00 72.50 70.28 1j3i s THR 229 CO 0.36 -0.41 1.92 0.59 -0.54 0.00 0.00 174.62 176.54 1j3i n ASN 230 N -1.77 6.02 0.00 3.99 3.02 -1.26 -4.91 115.26 120.34 1j3i n ASN 230 Ca 0.09 -3.19 0.00 0.00 -0.03 0.00 0.00 54.58 51.45 1j3i n ASN 230 Cb 0.53 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1j3i n ASN 230 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23