#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkv n GLN 3 N 0.00 0.83 -2.81 0.00 10.64 -0.74 -4.58 117.38 120.72 2jkv n GLN 3 Ca 0.00 0.07 -0.38 0.00 -1.83 0.00 0.00 57.00 54.86 2jkv n GLN 3 Cb 0.00 -1.44 -0.06 0.00 -0.86 0.00 0.00 30.24 27.88 2jkv n GLN 3 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jkv s ALA 4 N -2.43 3.29 -0.07 2.61 0.00 -0.16 -4.86 121.76 120.14 2jkv s ALA 4 Ca -0.21 0.52 0.13 0.00 0.00 0.00 0.00 51.96 52.41 2jkv s ALA 4 Cb 0.07 -3.15 0.04 0.00 0.00 0.00 0.00 23.12 20.08 2jkv s ALA 4 CO 0.59 0.21 1.43 -0.44 0.00 0.00 0.00 175.76 177.55 2jkv h ASP 5 N 3.65 0.00 -4.43 0.00 3.32 -0.91 -2.14 116.42 115.91 2jkv h ASP 5 Ca -0.46 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.67 2jkv h ASP 5 Cb 1.20 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.56 2jkv h ASP 5 CO 0.66 0.61 0.50 -0.51 -1.72 0.00 0.00 179.24 178.78 2jkv s ILE 6 N -2.95 0.00 0.14 0.35 2.07 -1.10 -4.66 121.20 115.06 2jkv s ILE 6 Ca 0.03 0.00 0.10 0.00 -1.41 0.00 0.00 60.65 59.37 2jkv s ILE 6 Cb 0.08 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 2jkv s ILE 6 CO 0.76 0.00 -0.21 0.00 -1.91 0.00 0.00 174.94 173.58 2jkv s ALA 7 N -2.07 2.60 -0.03 1.50 0.00 -0.58 -0.57 121.76 122.62 2jkv s ALA 7 Ca 0.01 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.54 2jkv s ALA 7 Cb -0.01 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.59 2jkv s ALA 7 CO -0.03 0.55 -0.04 -1.17 0.00 0.00 0.00 175.76 175.07 2jkv s LEU 8 N -2.25 1.50 -0.17 0.00 0.20 -0.45 -0.52 118.68 116.98 2jkv s LEU 8 Ca 0.18 -0.09 -0.04 0.00 0.69 0.00 0.00 54.13 54.87 2jkv s LEU 8 Cb -0.10 -0.34 -0.02 0.00 -0.43 0.00 0.00 46.19 45.30 2jkv s LEU 8 CO 0.09 -0.03 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.46 2jkv s ILE 9 N 0.62 3.73 0.00 6.68 1.01 0.82 -1.66 121.20 132.40 2jkv s ILE 9 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2jkv s ILE 9 Cb -0.11 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.71 2jkv s ILE 9 CO -0.00 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.02 2jkv n GLY 10 N 3.90 2.63 2.03 6.18 0.00 -0.36 -0.73 105.19 118.83 2jkv n GLY 10 Ca -0.17 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 2jkv n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jkv n LEU 11 N 0.00 4.94 0.00 0.99 4.77 -1.26 -3.93 117.00 122.50 2jkv n LEU 11 Ca 0.00 -4.76 0.00 0.00 -0.03 0.00 0.00 56.01 51.22 2jkv n LEU 11 Cb 0.00 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 2jkv n LEU 11 CO 0.00 2.11 0.00 0.00 -1.33 0.00 0.00 177.39 178.17 2jkv n ALA 12 N -0.71 0.00 -0.05 -1.18 0.00 -1.26 -4.65 120.51 112.66 2jkv n ALA 12 Ca 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.80 2jkv n ALA 12 Cb 0.96 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.40 2jkv n ALA 12 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2jkv h VAL 13 N -0.14 0.73 -0.43 0.00 3.04 -1.96 -1.85 116.25 115.64 2jkv h VAL 13 Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 2jkv h VAL 13 Cb 0.00 0.73 -0.02 0.00 -2.01 0.00 0.00 31.29 29.99 2jkv h VAL 13 CO 0.00 0.00 0.18 0.24 -1.01 0.00 0.00 177.57 176.98 2jkv h MET 14 N -0.02 0.63 0.02 4.17 2.86 -1.92 -2.44 114.93 118.23 2jkv h MET 14 Ca 0.12 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2jkv h MET 14 Cb 0.20 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2jkv h MET 14 CO -0.26 0.58 -0.01 0.78 1.06 0.00 0.00 176.91 179.06 2jkv h GLY 15 N 0.55 -0.03 0.65 8.32 0.00 -1.63 -0.85 103.07 110.07 2jkv h GLY 15 Ca 0.14 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.52 2jkv h GLY 15 CO -0.01 -0.01 0.02 1.46 0.00 0.00 0.00 176.54 178.00 2jkv h GLN 16 N -0.40 0.11 -0.49 4.80 4.20 -1.36 -1.19 115.11 120.78 2jkv h GLN 16 Ca -0.00 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 2jkv h GLN 16 Cb 0.38 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2jkv h GLN 16 CO 0.01 0.07 -0.18 -0.91 -0.67 0.00 0.00 178.83 177.15 2jkv h ASN 17 N 0.11 0.99 -0.29 1.46 2.35 -1.42 -2.15 115.58 116.62 2jkv h ASN 17 Ca 0.12 -0.36 -0.09 0.00 -0.55 0.00 0.00 56.30 55.42 2jkv h ASN 17 Cb 0.14 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2jkv h ASN 17 CO -0.18 1.14 -0.13 0.25 -1.65 0.00 0.00 177.43 176.86 2jkv h LEU 18 N 0.85 0.71 -0.09 1.61 5.85 -0.99 -1.04 115.31 122.21 2jkv h LEU 18 Ca 0.12 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2jkv h LEU 18 Cb 0.74 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 2jkv h LEU 18 CO 0.06 0.86 0.06 0.40 -0.34 0.00 0.00 178.44 179.47 2jkv h ILE 19 N 0.65 1.02 -0.53 4.05 2.04 -1.01 -1.58 117.51 122.16 2jkv h ILE 19 Ca 0.11 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2jkv h ILE 19 Cb 0.59 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 2jkv h ILE 19 CO 0.04 0.02 0.35 -0.07 0.00 0.00 0.00 178.15 178.49 2jkv h LEU 20 N 0.12 0.62 0.10 1.44 3.38 -1.16 0.49 115.31 120.29 2jkv h LEU 20 Ca 0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jkv h LEU 20 Cb -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2jkv h LEU 20 CO -0.01 0.45 -0.05 -1.13 0.09 0.00 0.00 178.44 177.80 2jkv h ASN 21 N 0.72 -0.11 -0.50 -0.43 -0.73 -0.79 -0.76 115.58 112.98 2jkv h ASN 21 Ca 0.19 -0.04 -0.08 0.00 1.87 0.00 0.00 56.30 58.25 2jkv h ASN 21 Cb -0.07 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.52 2jkv h ASN 21 CO -0.04 -0.04 0.04 0.24 -0.37 0.00 0.00 177.43 177.26 2jkv h MET 22 N -0.18 0.92 -0.38 6.67 2.86 -0.78 -2.30 114.93 121.74 2jkv h MET 22 Ca -0.01 -0.25 0.05 0.00 -2.06 0.00 0.00 59.70 57.43 2jkv h MET 22 Cb 0.14 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.65 2jkv h MET 22 CO 0.02 0.88 0.10 -0.97 1.06 0.00 0.00 176.91 178.01 2jkv h ASN 23 N 0.85 0.08 0.31 1.22 -1.24 -0.74 -1.86 115.58 114.21 2jkv h ASN 23 Ca 0.17 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 2jkv h ASN 23 Cb 0.45 0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.56 2jkv h ASN 23 CO 0.02 0.08 -0.03 0.44 -1.29 0.00 0.00 177.43 176.65 2jkv h ASP 24 N 0.24 0.00 -0.28 1.15 3.32 -0.59 0.58 116.42 120.83 2jkv h ASP 24 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2jkv h ASP 24 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2jkv h ASP 24 CO -0.21 0.03 0.00 1.41 -1.72 0.00 0.00 179.24 178.75 2jkv n HIS 25 N -3.30 0.37 -0.28 4.55 8.25 -0.82 -4.92 115.22 119.06 2jkv n HIS 25 Ca -0.02 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2jkv n HIS 25 Cb 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 2jkv n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jkv n GLY 26 N 1.21 0.70 3.74 -1.41 0.00 0.19 -5.06 105.19 104.57 2jkv n GLY 26 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2jkv n GLY 26 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jkv s PHE 27 N -2.41 3.72 -0.15 1.61 0.08 -0.76 -5.01 117.98 115.07 2jkv s PHE 27 Ca 0.00 1.45 -0.27 0.00 0.12 0.00 0.00 56.93 58.23 2jkv s PHE 27 Cb 0.00 -2.82 -0.01 0.00 -0.57 0.00 0.00 43.02 39.62 2jkv s PHE 27 CO 0.00 0.25 0.92 0.08 -0.10 0.00 0.00 175.22 176.37 2jkv s VAL 28 N 0.04 4.82 -0.06 -0.44 1.01 -1.26 -3.85 120.40 120.66 2jkv s VAL 28 Ca 0.39 1.84 0.05 0.00 0.00 0.00 0.00 61.98 64.26 2jkv s VAL 28 Cb -0.20 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 2jkv s VAL 28 CO 0.22 0.00 -0.23 -0.69 0.00 0.00 0.00 175.10 174.41 2jkv s VAL 29 N 2.16 2.25 -0.30 2.92 1.01 -1.26 -0.25 120.40 126.93 2jkv s VAL 29 Ca 0.43 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 2jkv s VAL 29 Cb -0.17 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2jkv s VAL 29 CO 0.14 0.57 0.20 0.00 0.00 0.00 0.00 175.10 176.01 2jkv s ALA 31 N 1.72 3.64 0.12 0.00 0.00 0.98 -1.34 121.76 126.88 2jkv s ALA 31 Ca 0.06 -0.19 -0.08 0.00 0.00 0.00 0.00 51.96 51.76 2jkv s ALA 31 Cb -0.17 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.48 2jkv s ALA 31 CO 0.10 0.37 0.20 0.12 0.00 0.00 0.00 175.76 176.55 2jkv s PHE 32 N -0.73 0.32 -0.06 0.00 5.36 -0.66 -2.44 117.98 119.76 2jkv s PHE 32 Ca 0.25 -0.73 -0.31 0.00 -0.96 0.00 0.00 56.93 55.18 2jkv s PHE 32 Cb -0.17 -0.11 0.07 0.00 -0.34 0.00 0.00 43.02 42.47 2jkv s PHE 32 CO 0.13 -0.59 0.68 1.21 -1.46 0.00 0.00 175.22 175.20 2jkv s ASN 33 N -2.92 -0.66 0.13 6.13 2.47 -1.26 -1.23 114.94 117.60 2jkv s ASN 33 Ca 0.11 0.76 -0.28 0.00 0.42 0.00 0.00 52.86 53.87 2jkv s ASN 33 Cb 0.05 0.59 -0.04 0.00 -1.45 0.00 0.00 41.25 40.40 2jkv s ASN 33 CO -0.06 -0.59 1.59 -0.09 -3.72 0.00 0.00 177.10 174.24 2jkv h ARG 34 N 3.11 -0.45 -6.40 0.43 2.43 -2.00 -3.29 114.38 108.21 2jkv h ARG 34 Ca -0.27 0.03 -0.54 0.00 -0.81 0.00 0.00 59.98 58.39 2jkv h ARG 34 Cb 1.14 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.72 2jkv h ARG 34 CO 0.37 -0.30 1.07 0.99 -1.51 0.00 0.00 179.97 180.59 2jkv s THR 35 N -5.93 3.79 0.32 0.20 2.01 -1.26 -4.88 115.64 109.88 2jkv s THR 35 Ca -0.15 0.60 0.12 0.00 0.31 0.00 0.00 61.69 62.57 2jkv s THR 35 Cb 0.10 -4.66 0.04 0.00 0.01 0.00 0.00 72.50 67.99 2jkv s THR 35 CO 0.65 -1.45 1.73 0.58 -0.69 0.00 0.00 174.62 175.43 2jkv h VAL 36 N 6.23 1.34 -0.54 3.82 2.07 -1.96 -2.61 116.25 124.59 2jkv h VAL 36 Ca -0.27 -1.67 0.12 0.00 0.82 0.00 0.00 66.70 65.70 2jkv h VAL 36 Cb 1.07 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 2jkv h VAL 36 CO 1.22 0.48 0.37 0.77 0.02 0.00 0.00 177.57 180.43 2jkv h SER 37 N 0.00 0.18 0.63 0.57 4.64 -1.91 -0.32 113.55 117.35 2jkv h SER 37 Ca -0.00 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2jkv h SER 37 Cb 0.87 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2jkv h SER 37 CO 0.06 0.11 -0.15 0.11 -0.87 0.00 0.00 176.83 176.09 2jkv h LYS 38 N 0.20 0.00 -0.15 4.77 1.57 -1.85 -2.29 116.57 118.83 2jkv h LYS 38 Ca 0.26 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 2jkv h LYS 38 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 2jkv h LYS 38 CO -0.05 0.15 0.05 0.28 -0.57 0.00 0.00 179.45 179.31 2jkv h VAL 39 N 0.00 1.17 -0.55 0.50 2.07 -1.21 -1.13 116.25 117.10 2jkv h VAL 39 Ca -0.00 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 2jkv h VAL 39 Cb 0.50 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2jkv h VAL 39 CO 0.02 0.16 0.07 0.44 0.02 0.00 0.00 177.57 178.28 2jkv h ASP 40 N 0.07 0.89 -0.70 0.57 3.32 -1.54 -1.43 116.42 117.60 2jkv h ASP 40 Ca 0.05 -0.27 0.06 0.00 0.02 0.00 0.00 57.03 56.89 2jkv h ASP 40 Cb 0.20 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 2jkv h ASP 40 CO -0.00 0.93 0.39 0.44 -1.72 0.00 0.00 179.24 179.28 2jkv h ASP 41 N 0.81 0.59 -0.17 6.45 3.32 -1.35 -0.58 116.42 125.48 2jkv h ASP 41 Ca 0.16 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2jkv h ASP 41 Cb 0.44 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2jkv h ASP 41 CO 0.01 0.38 0.08 0.15 -1.72 0.00 0.00 179.24 178.14 2jkv h PHE 42 N 0.72 0.25 0.00 4.55 3.57 -0.89 -1.89 116.94 123.25 2jkv h PHE 42 Ca 0.31 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 2jkv h PHE 42 Cb 0.19 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 2jkv h PHE 42 CO -0.07 0.29 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.07 2jkv h LEU 43 N 0.14 0.00 0.00 0.59 3.38 -0.81 -0.21 115.31 118.40 2jkv h LEU 43 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jkv h LEU 43 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2jkv h LEU 43 CO -0.01 0.16 -0.67 0.00 0.09 0.00 0.00 178.44 178.01 2jkv h ALA 44 N 1.84 0.62 -3.00 1.53 0.00 -0.87 -3.23 119.26 116.15 2jkv h ALA 44 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jkv h ALA 44 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2jkv h ALA 44 CO 0.02 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.36 2jkv n ASN 45 N -2.47 0.00 0.04 0.00 3.02 -0.73 -4.65 115.26 110.47 2jkv n ASN 45 Ca 0.02 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.70 2jkv n ASN 45 Cb 0.50 0.00 0.59 0.00 -0.61 0.00 0.00 39.78 40.25 2jkv n ASN 45 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2jkv h GLU 46 N 0.00 0.19 -0.56 3.52 3.07 -1.73 -0.74 114.58 118.32 2jkv h GLU 46 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2jkv h GLU 46 Cb 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 2jkv h GLU 46 CO 0.00 0.12 0.00 0.00 -1.40 0.00 0.00 179.01 177.73 2jkv n ALA 47 N -2.56 3.55 0.23 3.43 0.00 -0.13 -4.71 120.51 120.31 2jkv n ALA 47 Ca 0.06 -1.87 0.06 0.00 0.00 0.00 0.00 53.44 51.69 2jkv n ALA 47 Cb 0.33 -1.04 0.52 0.00 0.00 0.00 0.00 19.45 19.27 2jkv n ALA 47 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2jkv h LYS 48 N 3.77 0.00 -0.77 0.00 2.10 -1.14 -2.42 116.57 118.11 2jkv h LYS 48 Ca 0.00 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.13 2jkv h LYS 48 Cb 1.77 0.00 -0.30 0.00 -0.90 0.00 0.00 32.23 32.79 2jkv h LYS 48 CO 0.39 0.18 0.03 0.41 -2.00 0.00 0.00 179.45 178.46 2jkv n GLY 49 N -0.95 5.79 3.78 0.07 0.00 -1.26 -5.00 105.19 107.61 2jkv n GLY 49 Ca -0.02 -2.14 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 2jkv n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jkv s THR 50 N -4.32 1.38 -1.49 2.61 -4.23 -0.91 -5.02 115.64 103.65 2jkv s THR 50 Ca 0.55 -1.89 0.13 0.00 -1.18 0.00 0.00 61.69 59.30 2jkv s THR 50 Cb 0.45 -2.27 0.48 0.00 1.34 0.00 0.00 72.50 72.50 2jkv s THR 50 CO 0.02 0.00 1.36 0.29 -0.54 0.00 0.00 174.62 175.74 2jkv n LYS 51 N -1.33 2.64 -2.17 3.99 5.02 -1.26 -4.95 118.16 120.10 2jkv n LYS 51 Ca -0.14 -1.89 -0.41 0.00 -2.02 0.00 0.00 58.31 53.85 2jkv n LYS 51 Cb 0.66 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 34.05 2jkv n LYS 51 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2jkv s VAL 52 N -1.62 3.02 0.19 -0.18 1.01 -1.26 -4.42 120.40 117.14 2jkv s VAL 52 Ca 0.34 0.89 0.09 0.00 0.00 0.00 0.00 61.98 63.30 2jkv s VAL 52 Cb 0.21 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2jkv s VAL 52 CO 0.19 0.16 -0.09 0.68 0.00 0.00 0.00 175.10 176.03 2jkv s VAL 53 N -0.27 3.21 0.29 2.92 -7.23 -0.43 -5.00 120.40 113.90 2jkv s VAL 53 Ca 0.55 -1.69 0.09 0.00 -1.81 0.00 0.00 61.98 59.12 2jkv s VAL 53 Cb -0.38 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 33.91 2jkv s VAL 53 CO 0.43 -0.14 0.02 -0.83 -0.31 0.00 0.00 175.10 174.27 2jkv s GLY 54 N -2.91 1.80 0.12 2.32 0.00 -1.26 -0.01 107.32 107.37 2jkv s GLY 54 Ca 0.26 -1.76 0.07 0.00 0.00 0.00 0.00 44.72 43.29 2jkv s GLY 54 CO 0.16 -1.77 -0.16 0.00 0.00 0.00 0.00 173.10 171.32 2jkv s ALA 55 N -2.39 1.61 -2.47 3.20 0.00 -1.02 -4.87 121.76 115.81 2jkv s ALA 55 Ca 0.33 -1.28 0.20 0.00 0.00 0.00 0.00 51.96 51.22 2jkv s ALA 55 Cb -0.04 -0.13 0.15 0.00 0.00 0.00 0.00 23.12 23.09 2jkv s ALA 55 CO 0.20 0.19 1.13 1.04 0.00 0.00 0.00 175.76 178.32 2jkv n GLN 56 N 0.71 1.79 -3.49 0.00 1.13 -1.26 -4.82 117.38 111.44 2jkv n GLN 56 Ca -0.17 -1.64 -0.12 0.00 -1.94 0.00 0.00 57.00 53.13 2jkv n GLN 56 Cb 0.56 -1.39 -0.03 0.00 0.11 0.00 0.00 30.24 29.49 2jkv n GLN 56 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2jkv s SER 57 N -1.74 -0.50 0.15 1.08 1.04 -1.26 -5.02 113.70 107.46 2jkv s SER 57 Ca 0.23 0.00 -0.16 0.00 0.48 0.00 0.00 55.95 56.50 2jkv s SER 57 Cb 0.17 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.90 2jkv s SER 57 CO 0.28 -0.90 1.76 -0.07 0.98 0.00 0.00 173.24 175.29 2jkv h LEU 58 N 2.22 0.20 -0.43 2.42 3.38 -1.98 -0.87 115.31 120.26 2jkv h LEU 58 Ca -0.33 0.03 0.09 0.00 0.09 0.00 0.00 57.88 57.75 2jkv h LEU 58 Cb 1.28 -0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.93 2jkv h LEU 58 CO 0.40 0.16 -0.23 0.11 0.09 0.00 0.00 178.44 178.97 2jkv h LYS 59 N 0.32 -0.14 -0.60 1.13 1.57 -1.96 0.39 116.57 117.29 2jkv h LYS 59 Ca 0.16 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2jkv h LYS 59 Cb 0.10 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2jkv h LYS 59 CO -0.14 -0.09 0.22 1.49 -0.57 0.00 0.00 179.45 180.36 2jkv h GLU 60 N -0.15 0.91 -0.11 3.15 4.81 -1.90 -2.35 114.58 118.94 2jkv h GLU 60 Ca 0.20 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2jkv h GLU 60 Cb 0.47 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2jkv h GLU 60 CO -0.52 0.79 0.06 1.98 -0.73 0.00 0.00 179.01 180.59 2jkv h MET 61 N 0.84 0.12 -0.83 1.92 4.05 -0.52 -2.70 114.93 117.81 2jkv h MET 61 Ca 0.20 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.62 2jkv h MET 61 Cb 0.23 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.96 2jkv h MET 61 CO -0.01 0.08 0.55 0.28 0.23 0.00 0.00 176.91 178.04 2jkv h VAL 62 N 0.12 1.21 0.00 -5.77 2.07 -0.85 -2.58 116.25 110.46 2jkv h VAL 62 Ca 0.04 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2jkv h VAL 62 Cb -0.00 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.76 2jkv h VAL 62 CO -0.02 0.20 -0.02 0.77 0.02 0.00 0.00 177.57 178.53 2jkv h SER 63 N 1.12 0.00 0.28 0.57 4.64 -1.10 -2.45 113.55 116.60 2jkv h SER 63 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2jkv h SER 63 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2jkv h SER 63 CO -0.07 0.02 -0.12 0.29 -0.87 0.00 0.00 176.83 176.07 2jkv n LYS 64 N -3.12 0.83 -3.36 4.77 5.02 -0.97 -3.66 118.16 117.67 2jkv n LYS 64 Ca -0.00 -0.34 -0.38 0.00 -2.02 0.00 0.00 58.31 55.56 2jkv n LYS 64 Cb 0.27 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 2jkv n LYS 64 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jkv s LEU 65 N -2.41 4.46 0.39 -0.35 1.43 -0.93 -0.98 118.68 120.30 2jkv s LEU 65 Ca 0.30 1.07 -0.26 0.00 -1.03 0.00 0.00 54.13 54.22 2jkv s LEU 65 Cb 0.20 -2.76 -0.09 0.00 0.03 0.00 0.00 46.19 43.58 2jkv s LEU 65 CO 0.46 0.23 1.20 -0.54 0.23 0.00 0.00 176.35 177.94 2jkv s LYS 66 N -0.73 4.06 0.15 1.70 1.02 -0.80 -4.69 119.74 120.44 2jkv s LYS 66 Ca 0.27 1.93 -0.15 0.00 0.02 0.00 0.00 55.97 58.04 2jkv s LYS 66 Cb -0.18 -2.73 -0.07 0.00 -0.52 0.00 0.00 37.83 34.33 2jkv s LYS 66 CO 0.15 -0.34 0.56 0.15 -0.92 0.00 0.00 175.35 174.96 2jkv s LYS 67 N -2.23 4.01 0.17 1.68 1.02 -1.26 -2.53 119.74 120.61 2jkv s LYS 67 Ca 0.56 0.53 -0.31 0.00 0.02 0.00 0.00 55.97 56.78 2jkv s LYS 67 Cb -0.33 -2.95 -0.09 0.00 -0.52 0.00 0.00 37.83 33.94 2jkv s LYS 67 CO 0.42 0.49 1.40 -1.25 -0.92 0.00 0.00 175.35 175.48 2jkv s PRO 68 N -1.89 4.32 0.33 -1.68 0.04 -1.26 -5.10 135.00 129.76 2jkv s PRO 68 Ca 0.37 2.15 -0.29 0.00 0.04 0.00 0.00 61.00 63.28 2jkv s PRO 68 Cb -0.15 -3.19 -0.11 0.00 0.04 0.00 0.00 34.50 31.09 2jkv s PRO 68 CO 0.19 -0.40 1.41 1.03 0.04 0.00 0.00 177.00 179.28 2jkv s ARG 69 N 0.44 4.23 -0.14 4.56 0.52 -1.05 -4.80 118.95 122.71 2jkv s ARG 69 Ca 0.62 2.39 0.00 0.00 -0.52 0.00 0.00 55.73 58.22 2jkv s ARG 69 Cb -0.39 -3.04 0.02 0.00 0.52 0.00 0.00 34.95 32.07 2jkv s ARG 69 CO 0.35 -0.38 -0.12 1.03 0.02 0.00 0.00 175.30 176.20 2jkv s ARG 70 N -1.59 2.08 -0.09 3.54 0.52 -1.26 -0.20 118.95 121.95 2jkv s ARG 70 Ca 0.53 -0.51 0.03 0.00 -0.52 0.00 0.00 55.73 55.26 2jkv s ARG 70 Cb -0.43 -2.01 0.01 0.00 0.52 0.00 0.00 34.95 33.04 2jkv s ARG 70 CO 0.55 -0.26 -0.16 0.42 0.02 0.00 0.00 175.30 175.86 2jkv s ILE 71 N 1.54 1.50 -0.14 1.52 1.09 -0.52 -1.53 121.20 124.66 2jkv s ILE 71 Ca 0.04 -0.68 -0.05 0.00 -1.10 0.00 0.00 60.65 58.86 2jkv s ILE 71 Cb -0.13 -1.35 -0.04 0.00 -1.06 0.00 0.00 42.46 39.89 2jkv s ILE 71 CO -0.10 0.44 0.06 -0.63 -0.10 0.00 0.00 174.94 174.61 2jkv s ILE 72 N 0.68 4.77 -0.23 2.92 1.01 0.32 -0.16 121.20 130.50 2jkv s ILE 72 Ca -0.13 -0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.40 2jkv s ILE 72 Cb -0.16 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 2jkv s ILE 72 CO 0.03 0.54 0.03 -0.76 0.00 0.00 0.00 174.94 174.79 2jkv s LEU 73 N -0.34 3.29 -0.54 2.97 1.43 0.47 -0.13 118.68 125.83 2jkv s LEU 73 Ca 0.09 -0.24 0.07 0.00 -1.03 0.00 0.00 54.13 53.02 2jkv s LEU 73 Cb -0.12 -1.86 0.28 0.00 0.03 0.00 0.00 46.19 44.51 2jkv s LEU 73 CO 0.02 -0.01 0.72 0.18 0.23 0.00 0.00 176.35 177.49 2jkv n LEU 74 N 4.74 2.66 -4.59 1.79 4.77 0.09 -0.84 117.00 125.61 2jkv n LEU 74 Ca -0.17 -5.25 -0.26 0.00 -0.03 0.00 0.00 56.01 50.31 2jkv n LEU 74 Cb 0.51 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 2jkv n LEU 74 CO 0.31 2.14 -0.33 0.68 -1.33 0.00 0.00 177.39 178.85 2jkv s VAL 75 N -2.51 2.34 -0.09 4.08 -7.23 -1.26 -4.43 120.40 111.30 2jkv s VAL 75 Ca 0.40 -2.08 -0.40 0.00 -1.81 0.00 0.00 61.98 58.09 2jkv s VAL 75 Cb 0.20 -2.76 -0.18 0.00 0.56 0.00 0.00 36.38 34.20 2jkv s VAL 75 CO -0.07 -0.16 1.33 1.17 -0.31 0.00 0.00 175.10 177.05 2jkv n LYS 76 N -0.89 0.50 -1.89 4.82 4.81 -1.26 -4.70 118.16 119.55 2jkv n LYS 76 Ca -0.05 0.18 -0.36 0.00 -0.87 0.00 0.00 58.31 57.21 2jkv n LYS 76 Cb 0.64 -1.75 0.05 0.00 0.02 0.00 0.00 35.03 33.99 2jkv n LYS 76 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jkv s ALA 77 N 1.10 2.48 0.00 3.14 0.00 -1.26 -4.40 121.76 122.82 2jkv s ALA 77 Ca 0.92 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.99 2jkv s ALA 77 Cb -1.19 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 18.43 2jkv s ALA 77 CO 0.59 -1.36 0.00 0.41 0.00 0.00 0.00 175.76 175.40 2jkv n GLY 78 N 0.69 0.04 0.33 0.00 0.00 -1.26 -4.73 105.19 100.25 2jkv n GLY 78 Ca 0.15 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2jkv n GLY 78 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2jkv h GLN 79 N 0.00 0.85 -1.00 1.61 5.75 -2.01 -2.39 115.11 117.92 2jkv h GLN 79 Ca 0.00 -0.08 0.17 0.00 -0.15 0.00 0.00 58.65 58.59 2jkv h GLN 79 Cb 0.00 -0.18 -0.10 0.00 1.07 0.00 0.00 27.48 28.27 2jkv h GLN 79 CO 0.00 0.62 0.62 0.00 -2.65 0.00 0.00 178.83 177.41 2jkv h ALA 80 N 1.52 1.63 -0.25 3.38 0.00 -1.85 0.28 119.26 123.97 2jkv h ALA 80 Ca 0.22 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2jkv h ALA 80 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2jkv h ALA 80 CO -0.04 0.02 0.06 0.28 0.00 0.00 0.00 179.25 179.57 2jkv h VAL 81 N 0.82 1.22 -0.87 0.00 2.07 -1.63 -2.21 116.25 115.64 2jkv h VAL 81 Ca 0.56 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2jkv h VAL 81 Cb 0.80 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 2jkv h VAL 81 CO -0.35 0.23 0.46 0.44 0.02 0.00 0.00 177.57 178.37 2jkv h ASP 82 N 0.23 1.10 -0.47 0.57 3.32 -1.12 -1.74 116.42 118.32 2jkv h ASP 82 Ca 0.08 -0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.08 2jkv h ASP 82 Cb 0.29 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 2jkv h ASP 82 CO 0.00 0.90 0.17 0.44 -1.72 0.00 0.00 179.24 179.03 2jkv h ASP 83 N 1.23 0.18 -0.41 6.45 3.32 -0.32 -0.46 116.42 126.41 2jkv h ASP 83 Ca 0.31 0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.28 2jkv h ASP 83 Cb 0.05 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2jkv h ASP 83 CO -0.05 0.13 -0.25 -0.26 -1.72 0.00 0.00 179.24 177.10 2jkv h PHE 84 N 0.34 1.04 -0.67 4.55 0.04 -1.12 -2.72 116.94 118.40 2jkv h PHE 84 Ca 0.22 -0.27 0.02 0.00 2.80 0.00 0.00 57.97 60.74 2jkv h PHE 84 Cb 0.22 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.10 2jkv h PHE 84 CO -0.16 1.07 0.43 0.82 -0.60 0.00 0.00 178.31 179.87 2jkv h ILE 85 N 0.71 1.13 -0.87 -0.55 2.04 -1.00 0.29 117.51 119.26 2jkv h ILE 85 Ca 0.09 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2jkv h ILE 85 Cb 0.82 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 2jkv h ILE 85 CO 0.07 0.16 0.50 -0.33 0.00 0.00 0.00 178.15 178.55 2jkv h GLU 86 N 0.86 1.19 0.00 2.37 5.08 -0.97 -1.75 114.58 121.36 2jkv h GLU 86 Ca 0.26 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 2jkv h GLU 86 Cb -0.04 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 2jkv h GLU 86 CO -0.08 0.85 -0.56 0.87 -1.00 0.00 0.00 179.01 179.09 2jkv h LYS 87 N 1.20 0.00 0.05 2.33 1.57 -1.13 -3.34 116.57 117.26 2jkv h LYS 87 Ca 0.31 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.90 2jkv h LYS 87 Cb -0.01 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.31 2jkv h LYS 87 CO -0.05 0.56 -0.75 -0.07 -0.57 0.00 0.00 179.45 178.57 2jkv h LEU 88 N 0.00 0.57 -0.83 2.94 3.38 -0.51 -3.38 115.31 117.48 2jkv h LEU 88 Ca -0.01 -0.82 0.20 0.00 0.09 0.00 0.00 57.88 57.34 2jkv h LEU 88 Cb 1.24 -0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.69 2jkv h LEU 88 CO 0.07 1.33 0.27 0.58 0.09 0.00 0.00 178.44 180.78 2jkv h VAL 89 N -0.12 0.46 0.00 1.22 2.07 -1.45 0.35 116.25 118.78 2jkv h VAL 89 Ca -0.11 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2jkv h VAL 89 Cb 1.49 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2jkv h VAL 89 CO 0.15 0.06 -0.08 -0.65 0.02 0.00 0.00 177.57 177.06 2jkv h PRO 90 N 0.31 0.00 0.00 1.57 0.11 -1.76 -2.69 132.00 129.55 2jkv h PRO 90 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 2jkv h PRO 90 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2jkv h PRO 90 CO -0.55 0.08 -0.64 1.28 -0.21 0.00 0.00 178.00 177.96 2jkv n LEU 91 N -3.42 0.60 -4.98 2.35 4.77 0.12 -4.96 117.00 111.49 2jkv n LEU 91 Ca -0.01 -0.05 -0.20 0.00 -0.03 0.00 0.00 56.01 55.71 2jkv n LEU 91 Cb 0.23 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 2jkv n LEU 91 CO 0.28 0.12 0.01 -0.76 -1.33 0.00 0.00 177.39 175.70 2jkv s LEU 92 N -3.22 4.18 0.28 2.23 1.43 -0.94 -5.02 118.68 117.62 2jkv s LEU 92 Ca 0.09 -0.00 0.07 0.00 -1.03 0.00 0.00 54.13 53.26 2jkv s LEU 92 Cb 0.17 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 2jkv s LEU 92 CO 0.74 -0.22 0.20 -1.81 0.23 0.00 0.00 176.35 175.50 2jkv s ASP 93 N -4.05 5.34 0.20 2.29 1.01 -1.26 -5.01 116.67 115.19 2jkv s ASP 93 Ca 0.38 -0.37 -0.33 0.00 0.71 0.00 0.00 52.55 52.95 2jkv s ASP 93 Cb -0.09 -1.21 -0.13 0.00 1.01 0.00 0.00 42.92 42.49 2jkv s ASP 93 CO 0.30 -0.13 1.59 0.41 0.21 0.00 0.00 175.17 177.55 2jkv n THR 94 N -1.21 0.27 -0.04 -1.27 -1.04 -1.26 -1.80 114.28 107.93 2jkv n THR 94 Ca -0.06 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 2jkv n THR 94 Cb 0.59 -1.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 2jkv n THR 94 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jkv n GLY 95 N 3.20 0.45 3.77 3.41 0.00 0.54 -5.03 105.19 111.55 2jkv n GLY 95 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2jkv n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jkv s ASP 96 N -2.51 4.51 -0.08 1.61 1.01 -0.75 -4.71 116.67 115.76 2jkv s ASP 96 Ca 0.00 1.65 0.00 0.00 0.71 0.00 0.00 52.55 54.91 2jkv s ASP 96 Cb 0.00 -2.39 0.02 0.00 1.01 0.00 0.00 42.92 41.56 2jkv s ASP 96 CO 0.00 -2.00 -0.06 -0.63 0.21 0.00 0.00 175.17 172.68 2jkv s ILE 97 N -2.97 0.81 -0.14 0.77 1.01 0.71 -0.91 121.20 120.49 2jkv s ILE 97 Ca 0.61 -0.20 -0.00 0.00 0.00 0.00 0.00 60.65 61.05 2jkv s ILE 97 Cb -0.16 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 2jkv s ILE 97 CO 0.56 0.31 -0.13 -0.63 0.00 0.00 0.00 174.94 175.05 2jkv s ILE 98 N 1.40 2.99 -0.27 2.92 1.01 -0.16 -1.44 121.20 127.64 2jkv s ILE 98 Ca -0.02 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2jkv s ILE 98 Cb -0.13 -2.26 0.06 0.00 0.01 0.00 0.00 42.46 40.14 2jkv s ILE 98 CO -0.04 0.52 -0.08 -0.63 0.00 0.00 0.00 174.94 174.71 2jkv s ILE 99 N 0.44 2.29 -0.47 2.92 1.01 0.77 -0.47 121.20 127.69 2jkv s ILE 99 Ca -0.10 -1.67 -0.25 0.00 0.00 0.00 0.00 60.65 58.63 2jkv s ILE 99 Cb -0.16 -2.37 0.03 0.00 0.01 0.00 0.00 42.46 39.97 2jkv s ILE 99 CO 0.05 -0.09 0.94 -0.62 0.00 0.00 0.00 174.94 175.22 2jkv s ASP 100 N 1.11 6.49 0.00 3.58 2.15 0.88 -0.40 116.67 130.48 2jkv s ASP 100 Ca -0.07 0.09 0.24 0.00 0.43 0.00 0.00 52.55 53.24 2jkv s ASP 100 Cb -0.20 -2.45 0.17 0.00 -0.30 0.00 0.00 42.92 40.14 2jkv s ASP 100 CO -0.05 -1.08 1.23 0.61 -0.17 0.00 0.00 175.17 175.71 2jkv n GLY 101 N 4.95 0.54 3.89 2.66 0.00 -0.02 -0.39 105.19 116.82 2jkv n GLY 101 Ca 0.06 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 2jkv n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jkv s GLY 102 N -2.20 1.79 -1.29 -0.02 0.00 -1.22 -4.05 107.32 100.33 2jkv s GLY 102 Ca 0.25 -1.29 -0.11 0.00 0.00 0.00 0.00 44.72 43.56 2jkv s GLY 102 CO 0.41 -0.44 1.83 0.70 0.00 0.00 0.00 173.10 175.60 2jkv n ASN 103 N -4.02 4.93 -4.87 1.64 3.02 -1.26 -4.79 115.26 109.91 2jkv n ASN 103 Ca 0.17 -3.03 -0.33 0.00 -0.03 0.00 0.00 54.58 51.35 2jkv n ASN 103 Cb 0.59 -1.54 -0.05 0.00 -0.61 0.00 0.00 39.78 38.17 2jkv n ASN 103 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2jkv s SER 104 N 1.79 6.67 0.26 6.41 0.01 -1.26 -4.71 113.70 122.87 2jkv s SER 104 Ca 0.42 0.89 -0.31 0.00 1.31 0.00 0.00 55.95 58.27 2jkv s SER 104 Cb 0.07 -2.22 -0.13 0.00 0.21 0.00 0.00 66.02 63.96 2jkv s SER 104 CO -0.01 0.04 1.51 -0.62 0.41 0.00 0.00 173.24 174.57 2jkv n GLU 105 N 0.36 2.35 0.06 12.44 1.02 -1.26 -4.88 120.64 130.73 2jkv n GLU 105 Ca -0.03 0.84 0.07 0.00 -0.02 0.00 0.00 57.16 58.01 2jkv n GLU 105 Cb 0.52 -2.56 0.50 0.00 -0.02 0.00 0.00 31.44 29.89 2jkv n GLU 105 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 2jkv h TYR 106 N 4.62 0.35 -0.40 -0.32 -0.00 -1.86 -1.84 116.97 117.53 2jkv h TYR 106 Ca -0.46 0.01 -0.09 0.00 -0.00 0.00 0.00 58.73 58.19 2jkv h TYR 106 Cb 1.25 -0.12 -0.02 0.00 -0.00 0.00 0.00 36.73 37.85 2jkv h TYR 106 CO 0.58 0.21 -0.11 0.00 -0.00 0.00 0.00 178.16 178.83 2jkv h ARG 107 N 0.36 0.70 -0.72 0.10 3.08 -1.91 0.52 114.38 116.51 2jkv h ARG 107 Ca 0.13 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2jkv h ARG 107 Cb 0.08 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2jkv h ARG 107 CO -0.03 0.79 0.32 -0.44 -1.07 0.00 0.00 179.97 179.55 2jkv h ASP 108 N 0.64 0.97 -0.51 7.04 3.32 -1.73 -1.49 116.42 124.66 2jkv h ASP 108 Ca 0.11 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 2jkv h ASP 108 Cb 0.56 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2jkv h ASP 108 CO 0.04 0.85 0.03 0.74 -1.72 0.00 0.00 179.24 179.18 2jkv h THR 109 N 1.02 1.26 -0.35 0.35 2.02 -0.99 -0.71 112.91 115.51 2jkv h THR 109 Ca 0.24 -1.04 0.02 0.00 0.77 0.00 0.00 66.41 66.40 2jkv h THR 109 Cb 0.16 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2jkv h THR 109 CO -0.03 0.37 0.20 0.74 0.37 0.00 0.00 175.52 177.17 2jkv h THR 110 N 0.75 1.03 -0.11 3.16 2.02 -0.69 0.20 112.91 119.26 2jkv h THR 110 Ca 0.15 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.19 2jkv h THR 110 Cb 0.48 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 2jkv h THR 110 CO 0.02 0.07 0.06 -0.09 0.37 0.00 0.00 175.52 175.95 2jkv h ARG 111 N 0.41 0.12 -0.76 6.66 2.43 -1.06 -1.82 114.38 120.36 2jkv h ARG 111 Ca 0.14 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 2jkv h ARG 111 Cb 0.01 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 2jkv h ARG 111 CO -0.07 0.08 0.28 0.00 -1.51 0.00 0.00 179.97 178.74 2jkv h ARG 112 N 0.12 1.14 -0.59 0.20 3.08 -0.91 -1.39 114.38 116.04 2jkv h ARG 112 Ca 0.04 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 2jkv h ARG 112 Cb 0.00 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 2jkv h ARG 112 CO -0.03 0.94 0.24 0.00 -1.07 0.00 0.00 179.97 180.06 2jkv h ARG 114 N 0.81 0.80 -0.16 0.00 3.08 -1.11 -1.74 114.38 116.06 2jkv h ARG 114 Ca 0.20 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 2jkv h ARG 114 Cb 0.19 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2jkv h ARG 114 CO -0.02 1.06 0.08 0.22 -1.07 0.00 0.00 179.97 180.25 2jkv h ASP 115 N 0.57 0.20 0.03 7.04 3.58 -1.12 -2.64 116.42 124.08 2jkv h ASP 115 Ca 0.05 -0.09 -0.14 0.00 0.42 0.00 0.00 57.03 57.27 2jkv h ASP 115 Cb 0.93 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 2jkv h ASP 115 CO 0.08 0.23 -0.46 -0.07 -2.88 0.00 0.00 179.24 176.15 2jkv h LEU 116 N 0.15 0.54 -0.37 2.28 3.38 -1.19 -2.74 115.31 117.37 2jkv h LEU 116 Ca 0.06 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.82 2jkv h LEU 116 Cb 0.08 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 2jkv h LEU 116 CO -0.01 0.93 0.06 0.50 0.09 0.00 0.00 178.44 180.00 2jkv h LYS 117 N 0.41 0.17 -0.09 1.13 3.64 -1.22 0.15 116.57 120.76 2jkv h LYS 117 Ca 0.03 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2jkv h LYS 117 Cb 0.96 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 2jkv h LYS 117 CO 0.08 0.11 0.12 0.00 -2.27 0.00 0.00 179.45 177.50 2jkv h ALA 118 N 1.29 1.61 -0.72 5.00 0.00 -1.18 -0.96 119.26 124.31 2jkv h ALA 118 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jkv h ALA 118 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jkv h ALA 118 CO -0.25 -0.17 0.00 1.63 0.00 0.00 0.00 179.25 180.47 2jkv n LYS 119 N -3.71 3.10 -0.99 0.00 5.02 0.38 -4.94 118.16 117.02 2jkv n LYS 119 Ca -0.01 -2.77 0.00 0.00 -2.02 0.00 0.00 58.31 53.51 2jkv n LYS 119 Cb 0.22 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 2jkv n LYS 119 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jkv n GLY 120 N 1.51 0.50 3.54 0.72 0.00 -0.36 -4.85 105.19 106.25 2jkv n GLY 120 Ca 0.25 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 2jkv n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkv s ILE 121 N -2.00 4.05 -0.28 -0.61 1.01 -0.32 -0.34 121.20 122.71 2jkv s ILE 121 Ca 0.00 -0.31 -0.21 0.00 0.00 0.00 0.00 60.65 60.13 2jkv s ILE 121 Cb 0.00 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 2jkv s ILE 121 CO 0.00 0.51 0.65 -0.76 0.00 0.00 0.00 174.94 175.34 2jkv s LEU 122 N 0.16 4.10 -0.17 2.97 1.43 -0.08 -3.06 118.68 124.03 2jkv s LEU 122 Ca -0.01 0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 53.65 2jkv s LEU 122 Cb -0.13 -2.87 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 2jkv s LEU 122 CO 0.02 -0.45 -0.03 0.12 0.23 0.00 0.00 176.35 176.25 2jkv s PHE 123 N 2.61 3.03 -0.12 0.29 5.36 -1.26 -0.99 117.98 126.89 2jkv s PHE 123 Ca 0.27 -0.35 0.02 0.00 -0.96 0.00 0.00 56.93 55.91 2jkv s PHE 123 Cb -0.15 -1.99 -0.00 0.00 -0.34 0.00 0.00 43.02 40.54 2jkv s PHE 123 CO 0.10 -0.10 -0.20 0.08 -1.46 0.00 0.00 175.22 173.64 2jkv s VAL 124 N 0.55 2.31 -0.27 3.12 1.01 0.38 -0.73 120.40 126.77 2jkv s VAL 124 Ca -0.02 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 2jkv s VAL 124 Cb -0.14 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 2jkv s VAL 124 CO 0.02 0.54 0.08 -0.83 0.00 0.00 0.00 175.10 174.92 2jkv s GLY 125 N 0.52 1.78 -0.06 4.51 0.00 0.50 -0.08 107.32 114.48 2jkv s GLY 125 Ca -0.13 -1.27 0.03 0.00 0.00 0.00 0.00 44.72 43.35 2jkv s GLY 125 CO 0.05 0.59 -0.16 -0.45 0.00 0.00 0.00 173.10 173.12 2jkv s SER 126 N 1.57 2.15 0.39 1.64 0.15 0.48 -1.18 113.70 118.91 2jkv s SER 126 Ca 0.05 -0.37 -0.24 0.00 0.70 0.00 0.00 55.95 56.09 2jkv s SER 126 Cb -0.16 -0.85 -0.09 0.00 -1.71 0.00 0.00 66.02 63.21 2jkv s SER 126 CO 0.03 0.10 1.03 -0.83 1.20 0.00 0.00 173.24 174.78 2jkv s GLY 127 N 0.38 2.73 -0.10 9.45 0.00 -0.29 -4.07 107.32 115.42 2jkv s GLY 127 Ca -0.12 0.67 0.01 0.00 0.00 0.00 0.00 44.72 45.28 2jkv s GLY 127 CO 0.04 1.10 -0.10 0.14 0.00 0.00 0.00 173.10 174.27 2jkv s VAL 128 N -1.67 1.14 0.25 1.40 1.01 -1.26 -0.98 120.40 120.29 2jkv s VAL 128 Ca 0.57 -0.41 0.11 0.00 0.00 0.00 0.00 61.98 62.25 2jkv s VAL 128 Cb -0.21 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 2jkv s VAL 128 CO 0.27 0.37 -0.16 -0.55 0.00 0.00 0.00 175.10 175.03 2jkv s SER 129 N 1.25 3.80 0.00 3.32 0.15 -0.37 -4.81 113.70 117.04 2jkv s SER 129 Ca -0.03 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.73 2jkv s SER 129 Cb -0.14 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 2jkv s SER 129 CO -0.04 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2jkv n GLY 130 N -0.45 1.17 7.00 9.45 0.00 -1.07 -2.86 105.19 118.43 2jkv n GLY 130 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2jkv n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkv n GLY 131 N -0.09 0.99 0.13 -0.02 0.00 -1.26 -1.12 105.19 103.81 2jkv n GLY 131 Ca 0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 2jkv n GLY 131 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jkv h GLU 132 N 0.00 -0.08 -0.52 1.61 4.81 -1.96 -0.63 114.58 117.81 2jkv h GLU 132 Ca 0.00 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2jkv h GLU 132 Cb 0.00 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2jkv h GLU 132 CO 0.00 -0.06 -0.08 1.49 -0.73 0.00 0.00 179.01 179.63 2jkv h GLU 133 N -0.09 0.97 -0.10 1.92 4.81 -1.99 -0.83 114.58 119.27 2jkv h GLU 133 Ca 0.07 -0.35 0.01 0.00 -0.13 0.00 0.00 59.36 58.95 2jkv h GLU 133 Cb 0.18 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2jkv h GLU 133 CO -0.15 1.02 0.04 0.78 -0.73 0.00 0.00 179.01 179.96 2jkv h GLY 134 N 0.83 0.12 0.95 1.92 0.00 -0.96 -1.15 103.07 104.78 2jkv h GLY 134 Ca 0.14 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.46 2jkv h GLY 134 CO 0.04 0.02 0.63 0.00 0.00 0.00 0.00 176.54 177.23 2jkv h ALA 135 N 1.06 1.25 -0.48 3.60 0.00 -0.92 0.39 119.26 124.16 2jkv h ALA 135 Ca 0.04 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2jkv h ALA 135 Cb 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2jkv h ALA 135 CO -0.04 0.57 -0.15 -0.09 0.00 0.00 0.00 179.25 179.53 2jkv h ARG 136 N 1.27 0.95 0.00 0.00 9.65 -0.79 -3.30 114.38 122.15 2jkv h ARG 136 Ca 0.37 -0.38 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2jkv h ARG 136 Cb -0.08 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.45 2jkv h ARG 136 CO -0.10 1.04 -1.00 0.66 2.80 0.00 0.00 179.97 183.37 2jkv n TYR 137 N -4.19 0.00 0.00 2.20 4.01 -0.47 -4.06 117.16 114.66 2jkv n TYR 137 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2jkv n TYR 137 Cb 0.42 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 2jkv n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jkv n GLY 138 N 2.57 -0.18 3.93 2.72 0.00 0.12 -4.78 105.19 109.56 2jkv n GLY 138 Ca -0.00 0.66 -0.25 0.00 0.00 0.00 0.00 46.02 46.43 2jkv n GLY 138 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jkv s PRO 139 N 0.00 3.43 0.01 1.61 0.05 -0.32 -3.55 135.00 136.23 2jkv s PRO 139 Ca 0.00 -0.09 -0.30 0.00 0.05 0.00 0.00 61.00 60.66 2jkv s PRO 139 Cb 0.00 -2.50 -0.04 0.00 0.05 0.00 0.00 34.50 32.01 2jkv s PRO 139 CO 0.00 -0.11 1.09 0.45 0.05 0.00 0.00 177.00 178.48 2jkv s SER 140 N -4.10 7.21 -0.09 6.66 0.15 -0.20 -1.24 113.70 122.10 2jkv s SER 140 Ca 0.45 1.81 0.04 0.00 0.70 0.00 0.00 55.95 58.95 2jkv s SER 140 Cb -0.10 -2.57 -0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2jkv s SER 140 CO 0.41 -0.39 -0.23 -0.76 1.20 0.00 0.00 173.24 173.46 2jkv s LEU 141 N 1.23 2.05 -0.66 3.45 1.43 -0.33 -1.24 118.68 124.62 2jkv s LEU 141 Ca 0.55 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 53.17 2jkv s LEU 141 Cb -0.25 -1.35 0.20 0.00 0.03 0.00 0.00 46.19 44.82 2jkv s LEU 141 CO 0.27 0.17 0.58 0.23 0.23 0.00 0.00 176.35 177.83 2jkv n MET 142 N 3.42 1.97 -2.42 1.70 2.81 -0.15 -3.95 117.12 120.50 2jkv n MET 142 Ca -0.19 -4.45 -0.42 0.00 -1.81 0.00 0.00 57.70 50.83 2jkv n MET 142 Cb 0.53 -2.21 -0.03 0.00 -0.71 0.00 0.00 33.22 30.80 2jkv n MET 142 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 2jkv s PRO 143 N -1.76 4.41 0.26 0.03 0.02 -1.26 -1.14 135.00 135.56 2jkv s PRO 143 Ca 0.31 1.77 -0.04 0.00 0.02 0.00 0.00 61.00 63.05 2jkv s PRO 143 Cb 0.04 -3.39 -0.02 0.00 0.02 0.00 0.00 34.50 31.15 2jkv s PRO 143 CO -0.11 -0.30 0.33 0.20 -0.33 0.00 0.00 177.00 176.79 2jkv s GLY 144 N 1.17 1.23 0.00 0.52 0.00 -0.32 -0.42 107.32 109.50 2jkv s GLY 144 Ca 0.59 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.88 2jkv s GLY 144 CO 0.28 -1.07 0.00 0.61 0.00 0.00 0.00 173.10 172.92 2jkv n GLY 145 N -0.40 0.29 3.48 0.20 0.00 -0.30 -0.37 105.19 108.09 2jkv n GLY 145 Ca 0.01 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 2jkv n GLY 145 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jkv s ASN 146 N -4.00 6.25 0.25 1.61 3.84 0.10 -1.96 114.94 121.02 2jkv s ASN 146 Ca 0.00 -0.74 0.18 0.00 0.21 0.00 0.00 52.86 52.51 2jkv s ASN 146 Cb 0.00 -2.40 0.93 0.00 -0.55 0.00 0.00 41.25 39.24 2jkv s ASN 146 CO 0.00 -1.24 1.55 1.17 -2.79 0.00 0.00 177.10 175.79 2jkv n LYS 147 N 7.26 0.12 0.31 0.43 4.81 -1.26 -1.30 118.16 128.52 2jkv n LYS 147 Ca -0.02 0.57 0.19 0.00 -0.87 0.00 0.00 58.31 58.19 2jkv n LYS 147 Cb 0.46 -1.86 0.97 0.00 0.02 0.00 0.00 35.03 34.62 2jkv n LYS 147 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2jkv h GLU 148 N 0.00 0.00 0.00 1.64 4.81 -1.97 -1.38 114.58 117.68 2jkv h GLU 148 Ca 0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 2jkv h GLU 148 Cb 0.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2jkv h GLU 148 CO 0.00 0.02 -0.61 0.00 -0.73 0.00 0.00 179.01 177.69 2jkv h ALA 149 N 1.98 0.68 -0.42 2.92 0.00 -1.58 -3.40 119.26 119.45 2jkv h ALA 149 Ca -0.00 -0.48 0.08 0.00 0.00 0.00 0.00 54.91 54.51 2jkv h ALA 149 Cb 0.22 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 2jkv h ALA 149 CO 0.00 0.63 -0.01 2.35 0.00 0.00 0.00 179.25 182.22 2jkv h TRP 150 N 0.00 -0.04 0.00 0.00 -0.00 -1.40 0.48 115.95 114.99 2jkv h TRP 150 Ca -0.02 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.89 2jkv h TRP 150 Cb 1.39 0.08 -0.00 0.00 -0.00 0.00 0.00 29.16 30.63 2jkv h TRP 150 CO 0.00 -0.09 -0.04 -1.35 -0.00 0.00 0.00 178.44 176.96 2jkv h PRO 151 N 0.10 0.00 -0.00 2.65 0.11 -1.77 0.15 132.00 133.24 2jkv h PRO 151 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2jkv h PRO 151 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 2jkv h PRO 151 CO -0.35 0.04 -0.21 0.72 -0.21 0.00 0.00 178.00 178.00 2jkv n HIS 152 N -3.70 0.00 0.00 0.65 8.25 0.14 -4.06 115.22 116.50 2jkv n HIS 152 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2jkv n HIS 152 Cb 0.13 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.04 2jkv n HIS 152 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2jkv n ILE 153 N -1.00 0.00 -0.26 1.59 -5.35 -0.60 -4.81 119.36 108.93 2jkv n ILE 153 Ca 0.12 -0.22 0.02 0.00 -0.27 0.00 0.00 62.75 62.39 2jkv n ILE 153 Cb 0.31 0.80 0.15 0.00 -1.74 0.00 0.00 39.64 39.17 2jkv n ILE 153 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2jkv h LYS 154 N 0.00 0.65 -0.19 6.28 3.64 -0.89 0.17 116.57 126.22 2jkv h LYS 154 Ca 0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2jkv h LYS 154 Cb 0.00 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2jkv h LYS 154 CO 0.00 0.43 0.04 1.15 -2.27 0.00 0.00 179.45 178.80 2jkv h THR 155 N 0.67 1.21 -0.14 1.00 2.02 -1.85 -0.17 112.91 115.66 2jkv h THR 155 Ca 0.37 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 2jkv h THR 155 Cb 0.38 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2jkv h THR 155 CO -0.27 0.21 -0.07 0.40 0.37 0.00 0.00 175.52 176.16 2jkv h ILE 156 N 0.12 1.32 0.25 3.11 2.04 -1.84 -0.94 117.51 121.56 2jkv h ILE 156 Ca 0.06 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 2jkv h ILE 156 Cb 0.29 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2jkv h ILE 156 CO 0.00 0.33 -0.12 -0.26 0.00 0.00 0.00 178.15 178.10 2jkv h PHE 157 N -0.06 -0.31 0.00 1.37 -1.00 -0.90 -0.83 116.94 115.22 2jkv h PHE 157 Ca 0.03 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.75 2jkv h PHE 157 Cb 0.55 0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.20 2jkv h PHE 157 CO 0.07 -0.18 -0.24 1.96 -1.61 0.00 0.00 178.31 178.31 2jkv h GLN 158 N -0.34 0.00 -0.46 1.51 4.20 -1.13 -2.08 115.11 116.81 2jkv h GLN 158 Ca -0.03 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 2jkv h GLN 158 Cb 0.26 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2jkv h GLN 158 CO 0.06 0.24 0.05 0.78 -0.67 0.00 0.00 178.83 179.28 2jkv h GLY 159 N 1.47 0.84 0.77 3.46 0.00 -0.35 -3.19 103.07 106.07 2jkv h GLY 159 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.75 2jkv h GLY 159 CO 0.03 0.54 -0.72 0.29 0.00 0.00 0.00 176.54 176.68 2jkv n ILE 160 N -4.42 0.08 -2.02 2.60 -5.35 -0.39 -4.95 119.36 104.90 2jkv n ILE 160 Ca 0.00 -0.09 -0.36 0.00 -0.27 0.00 0.00 62.75 62.04 2jkv n ILE 160 Cb 0.27 0.31 0.03 0.00 -1.74 0.00 0.00 39.64 38.51 2jkv n ILE 160 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jkv s ALA 161 N -3.07 2.55 0.18 -1.28 0.00 -0.80 -3.93 121.76 115.42 2jkv s ALA 161 Ca 0.08 0.96 -0.33 0.00 0.00 0.00 0.00 51.96 52.67 2jkv s ALA 161 Cb 0.16 -3.43 -0.15 0.00 0.00 0.00 0.00 23.12 19.69 2jkv s ALA 161 CO 0.75 -1.14 1.20 0.00 0.00 0.00 0.00 175.76 176.58 2jkv n ALA 162 N -1.62 -0.53 -2.79 0.00 0.00 -0.37 -4.68 120.51 110.52 2jkv n ALA 162 Ca 0.13 0.46 -0.35 0.00 0.00 0.00 0.00 53.44 53.68 2jkv n ALA 162 Cb 0.50 -2.06 -0.07 0.00 0.00 0.00 0.00 19.45 17.81 2jkv n ALA 162 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jkv s LYS 163 N -0.36 3.17 0.24 0.00 -0.14 -1.26 0.08 119.74 121.48 2jkv s LYS 163 Ca 0.73 -0.34 0.10 0.00 -1.36 0.00 0.00 55.97 55.09 2jkv s LYS 163 Cb -0.83 -2.95 -0.04 0.00 -1.68 0.00 0.00 37.83 32.33 2jkv s LYS 163 CO 0.52 0.71 -0.07 0.14 -0.76 0.00 0.00 175.35 175.89 2jkv s VAL 164 N -1.05 3.21 0.00 3.17 -7.23 -0.63 -4.90 120.40 112.97 2jkv s VAL 164 Ca 0.17 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 2jkv s VAL 164 Cb -0.12 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.15 2jkv s VAL 164 CO 0.07 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 2jkv n GLY 165 N -0.56 0.35 0.00 2.32 0.00 -1.26 0.13 105.19 106.17 2jkv n GLY 165 Ca -0.08 0.37 0.10 0.00 0.00 0.00 0.00 46.02 46.41 2jkv n GLY 165 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jkv n THR 166 N 0.00 0.03 -0.16 2.61 -2.24 -1.26 -4.82 114.28 108.44 2jkv n THR 166 Ca 0.00 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2jkv n THR 166 Cb 0.00 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 2jkv n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jkv n GLY 167 N 0.20 0.87 3.74 3.38 0.00 0.35 -5.07 105.19 108.67 2jkv n GLY 167 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2jkv n GLY 167 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jkv s GLU 168 N -0.84 4.49 0.29 1.61 1.03 -1.12 -4.67 118.70 119.49 2jkv s GLU 168 Ca 0.00 1.88 -0.28 0.00 0.03 0.00 0.00 54.97 56.59 2jkv s GLU 168 Cb 0.00 -3.24 -0.09 0.00 -0.80 0.00 0.00 34.13 30.00 2jkv s GLU 168 CO 0.00 -0.09 1.02 -1.25 -1.33 0.00 0.00 175.26 173.61 2jkv s PRO 169 N -0.23 4.63 -1.49 -4.83 0.04 -1.26 -1.60 135.00 130.25 2jkv s PRO 169 Ca 0.53 1.60 -0.10 0.00 0.04 0.00 0.00 61.00 63.07 2jkv s PRO 169 Cb -0.33 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.15 2jkv s PRO 169 CO 0.37 0.26 2.53 0.00 0.04 0.00 0.00 177.00 180.20 2jkv s ASP 172 N 2.39 -0.13 0.07 0.00 -1.08 -1.25 -4.83 116.67 111.84 2jkv s ASP 172 Ca -0.02 -0.32 -0.31 0.00 -0.52 0.00 0.00 52.55 51.39 2jkv s ASP 172 Cb -0.05 0.40 -0.09 0.00 -1.46 0.00 0.00 42.92 41.72 2jkv s ASP 172 CO -0.17 -0.73 1.80 0.86 0.52 0.00 0.00 175.17 177.46 2jkv s TRP 173 N -3.27 1.99 -0.14 -5.34 -0.11 -1.26 -4.16 118.94 106.65 2jkv s TRP 173 Ca -0.00 -0.03 -0.24 0.00 1.22 0.00 0.00 56.10 57.05 2jkv s TRP 173 Cb 0.01 -4.12 -0.21 0.00 -1.50 0.00 0.00 33.47 27.65 2jkv s TRP 173 CO -0.08 -4.71 0.58 0.28 -4.62 0.00 0.00 176.95 168.40 2jkv h VAL 174 N 5.02 1.41 0.00 5.86 2.07 -1.08 -3.49 116.25 126.04 2jkv h VAL 174 Ca -0.45 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 64.94 2jkv h VAL 174 Cb 1.21 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.72 2jkv h VAL 174 CO 0.94 0.48 0.00 0.61 0.02 0.00 0.00 177.57 179.62 2jkv n GLY 175 N 1.61 -1.27 3.79 2.17 0.00 -1.26 -4.68 105.19 105.57 2jkv n GLY 175 Ca -0.11 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 2jkv n GLY 175 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jkv s ASP 176 N -4.00 6.27 1.02 1.61 2.15 -1.26 -1.14 116.67 121.32 2jkv s ASP 176 Ca 0.00 1.97 0.00 0.00 0.43 0.00 0.00 52.55 54.95 2jkv s ASP 176 Cb 0.00 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2jkv s ASP 176 CO 0.00 -0.83 0.00 -0.62 -0.17 0.00 0.00 175.17 173.55 2jkv n GLU 177 N -0.98 0.00 0.00 4.34 1.02 -0.83 -1.60 120.64 122.60 2jkv n GLU 177 Ca 0.09 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.30 2jkv n GLU 177 Cb 0.52 0.00 0.37 0.00 -0.02 0.00 0.00 31.44 32.31 2jkv n GLU 177 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jkv n GLY 178 N 0.00 -0.84 0.28 0.62 0.00 -1.26 -1.86 105.19 102.13 2jkv n GLY 178 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.98 2jkv n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkv h ALA 179 N 3.14 1.09 -0.25 4.61 0.00 -1.55 -0.55 119.26 125.75 2jkv h ALA 179 Ca 0.00 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2jkv h ALA 179 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2jkv h ALA 179 CO 0.00 -0.10 0.12 0.78 0.00 0.00 0.00 179.25 180.05 2jkv h GLY 180 N 0.57 0.32 2.00 0.00 0.00 -1.76 -1.63 103.07 102.57 2jkv h GLY 180 Ca 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 2jkv h GLY 180 CO -0.33 0.07 -0.09 0.45 0.00 0.00 0.00 176.54 176.64 2jkv h HIS 181 N 0.25 0.00 -0.16 5.60 3.86 -1.59 -1.94 115.15 121.18 2jkv h HIS 181 Ca 0.10 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.20 2jkv h HIS 181 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2jkv h HIS 181 CO -0.10 0.09 -0.35 0.35 0.86 0.00 0.00 177.93 178.79 2jkv h PHE 182 N 0.00 0.65 -0.73 2.45 3.04 -0.61 -1.10 116.94 120.63 2jkv h PHE 182 Ca -0.00 -0.24 -0.02 0.00 3.98 0.00 0.00 57.97 61.69 2jkv h PHE 182 Cb 0.68 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.04 2jkv h PHE 182 CO 0.00 0.97 0.38 0.28 -2.02 0.00 0.00 178.31 177.92 2jkv h VAL 183 N 0.14 1.23 -0.99 1.41 2.07 -1.13 -1.53 116.25 117.45 2jkv h VAL 183 Ca 0.00 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 66.92 2jkv h VAL 183 Cb 0.95 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2jkv h VAL 183 CO 0.08 0.26 0.66 0.50 0.02 0.00 0.00 177.57 179.09 2jkv h LYS 184 N 1.02 1.30 -0.08 1.57 1.63 -1.31 0.33 116.57 121.03 2jkv h LYS 184 Ca 0.26 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 2jkv h LYS 184 Cb 0.07 -0.29 -0.01 0.00 -0.60 0.00 0.00 32.23 31.40 2jkv h LYS 184 CO -0.04 0.86 0.03 1.98 -3.45 0.00 0.00 179.45 178.84 2jkv h MET 185 N 1.34 0.08 -0.74 1.90 4.05 -0.47 -1.75 114.93 119.34 2jkv h MET 185 Ca 0.37 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.79 2jkv h MET 185 Cb -0.14 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.60 2jkv h MET 185 CO -0.08 0.05 0.48 0.28 0.23 0.00 0.00 176.91 177.87 2jkv h VAL 186 N 0.08 1.20 -0.70 -5.77 2.07 -0.91 -0.28 116.25 111.94 2jkv h VAL 186 Ca 0.03 -0.37 0.14 0.00 0.82 0.00 0.00 66.70 67.32 2jkv h VAL 186 Cb 0.01 0.12 -0.10 0.00 -1.52 0.00 0.00 31.29 29.80 2jkv h VAL 186 CO -0.02 0.19 0.17 -0.74 0.02 0.00 0.00 177.57 177.19 2jkv h HIS 187 N 1.00 0.27 -0.03 1.57 6.17 -0.63 -0.69 115.15 122.82 2jkv h HIS 187 Ca 0.27 0.04 -0.12 0.00 0.71 0.00 0.00 60.37 61.27 2jkv h HIS 187 Cb -0.10 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 29.81 2jkv h HIS 187 CO -0.02 -0.05 -0.52 -0.91 0.71 0.00 0.00 177.93 177.13 2jkv h ASN 188 N 0.28 0.09 -0.01 3.26 4.21 -0.30 -0.96 115.58 122.15 2jkv h ASN 188 Ca 0.38 -0.05 -0.00 0.00 1.21 0.00 0.00 56.30 57.85 2jkv h ASN 188 Cb 0.62 -0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 37.80 2jkv h ASN 188 CO -0.47 0.60 0.00 1.23 -1.29 0.00 0.00 177.43 177.50 2jkv h GLY 189 N 1.51 0.01 0.84 2.83 0.00 0.28 0.44 103.07 108.98 2jkv h GLY 189 Ca -0.00 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.36 2jkv h GLY 189 CO 0.07 0.01 0.38 -2.22 0.00 0.00 0.00 176.54 174.77 2jkv h ILE 190 N -0.09 1.06 0.12 2.60 2.04 -1.06 -2.10 117.51 120.07 2jkv h ILE 190 Ca 0.00 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2jkv h ILE 190 Cb 0.11 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2jkv h ILE 190 CO -0.00 0.13 -0.08 -0.08 0.00 0.00 0.00 178.15 178.12 2jkv h GLU 191 N 0.73 -0.20 -0.84 2.37 4.81 -0.84 -0.75 114.58 119.87 2jkv h GLU 191 Ca 0.26 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.66 2jkv h GLU 191 Cb 0.05 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.37 2jkv h GLU 191 CO -0.12 -0.13 0.39 1.88 -0.73 0.00 0.00 179.01 180.30 2jkv h TYR 192 N -0.20 0.66 0.08 0.92 -1.99 -0.69 -0.19 116.97 115.56 2jkv h TYR 192 Ca -0.01 0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.75 2jkv h TYR 192 Cb 0.18 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 38.74 2jkv h TYR 192 CO -0.09 0.09 -0.04 0.78 -0.00 0.00 0.00 178.16 178.90 2jkv h GLY 193 N 0.51 -0.12 1.00 3.88 0.00 -0.88 -1.91 103.07 105.56 2jkv h GLY 193 Ca 0.48 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2jkv h GLY 193 CO -0.42 -0.04 0.43 -0.55 0.00 0.00 0.00 176.54 175.96 2jkv h ASP 194 N -0.22 0.79 -0.55 0.19 5.19 -0.54 -0.90 116.42 120.37 2jkv h ASP 194 Ca -0.01 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 2jkv h ASP 194 Cb 0.18 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.47 2jkv h ASP 194 CO 0.02 0.59 0.29 0.24 -3.12 0.00 0.00 179.24 177.26 2jkv h MET 195 N 0.92 0.78 -0.42 3.56 2.86 -0.98 -1.04 114.93 120.61 2jkv h MET 195 Ca 0.25 -0.10 -0.09 0.00 -2.06 0.00 0.00 59.70 57.70 2jkv h MET 195 Cb -0.08 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 2jkv h MET 195 CO -0.05 0.62 -0.07 0.37 1.06 0.00 0.00 176.91 178.83 2jkv h GLN 196 N 0.74 0.79 -0.64 1.72 5.75 -0.88 -1.27 115.11 121.33 2jkv h GLN 196 Ca 0.19 -0.29 0.08 0.00 -0.15 0.00 0.00 58.65 58.48 2jkv h GLN 196 Cb 0.07 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.51 2jkv h GLN 196 CO -0.03 0.90 0.31 -0.07 -2.65 0.00 0.00 178.83 177.29 2jkv h LEU 197 N 0.62 0.41 -0.58 -2.39 3.38 -1.02 -1.24 115.31 114.48 2jkv h LEU 197 Ca 0.11 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2jkv h LEU 197 Cb 0.59 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2jkv h LEU 197 CO 0.04 0.25 0.32 0.40 0.09 0.00 0.00 178.44 179.54 2jkv h ILE 198 N 0.55 1.19 -0.93 1.22 2.04 -0.80 -1.44 117.51 119.35 2jkv h ILE 198 Ca 0.30 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.76 2jkv h ILE 198 Cb 0.28 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 2jkv h ILE 198 CO -0.24 0.20 0.60 0.00 0.00 0.00 0.00 178.15 178.72 2jkv h GLU 200 N 1.07 0.72 -0.49 0.00 5.08 -0.60 0.89 114.58 121.24 2jkv h GLU 200 Ca 0.40 -0.35 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2jkv h GLU 200 Cb 0.18 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2jkv h GLU 200 CO -0.15 0.96 0.25 0.00 -1.00 0.00 0.00 179.01 179.07 2jkv h ALA 201 N 0.74 0.63 -0.64 3.43 0.00 -1.00 -0.65 119.26 121.77 2jkv h ALA 201 Ca 0.06 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2jkv h ALA 201 Cb 0.79 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2jkv h ALA 201 CO 0.06 -0.09 0.40 -0.92 0.00 0.00 0.00 179.25 178.70 2jkv h TYR 202 N 0.50 0.75 -0.56 0.00 3.20 -0.85 -0.62 116.97 119.39 2jkv h TYR 202 Ca 0.22 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.11 2jkv h TYR 202 Cb 0.12 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 2jkv h TYR 202 CO -0.10 0.43 0.37 1.25 -1.64 0.00 0.00 178.16 178.47 2jkv h HIS 203 N 0.79 0.71 -0.46 -3.82 2.76 -0.16 0.17 115.15 115.15 2jkv h HIS 203 Ca 0.26 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.43 2jkv h HIS 203 Cb 0.01 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.71 2jkv h HIS 203 CO -0.05 0.45 0.23 -0.07 -1.30 0.00 0.00 177.93 177.20 2jkv h LEU 204 N 0.76 0.59 -0.84 0.26 3.38 -0.74 0.14 115.31 118.87 2jkv h LEU 204 Ca 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2jkv h LEU 204 Cb -0.08 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 2jkv h LEU 204 CO -0.04 0.53 0.48 0.24 0.09 0.00 0.00 178.44 179.74 2jkv h MET 205 N 0.60 1.15 -0.02 1.13 2.86 -0.71 -0.08 114.93 119.87 2jkv h MET 205 Ca 0.16 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.58 2jkv h MET 205 Cb 0.09 -0.23 0.01 0.00 0.06 0.00 0.00 31.60 31.53 2jkv h MET 205 CO -0.02 0.83 -0.37 -0.22 1.06 0.00 0.00 176.91 178.19 2jkv h LYS 206 N 1.16 0.28 0.00 1.72 3.64 -0.66 -1.53 116.57 121.18 2jkv h LYS 206 Ca 0.30 -0.28 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 2jkv h LYS 206 Cb 0.00 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2jkv h LYS 206 CO -0.05 0.97 -2.09 -0.25 -2.27 0.00 0.00 179.45 175.76 2jkv n ASP 207 N -4.41 0.24 -0.10 4.20 9.92 0.48 -2.75 116.55 124.13 2jkv n ASP 207 Ca -0.10 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 53.93 2jkv n ASP 207 Cb 0.55 1.59 -0.12 0.00 -0.64 0.00 0.00 41.12 42.51 2jkv n ASP 207 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2jkv n VAL 208 N -2.40 1.57 1.15 2.53 0.31 -0.09 -4.51 118.33 116.90 2jkv n VAL 208 Ca -0.14 -0.29 0.13 0.00 -0.01 0.00 0.00 64.34 64.02 2jkv n VAL 208 Cb 0.76 -1.88 0.31 0.00 -0.91 0.00 0.00 33.84 32.12 2jkv n VAL 208 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2jkv n LEU 209 N -4.09 0.89 -3.04 7.52 4.77 -0.94 -4.96 117.00 117.15 2jkv n LEU 209 Ca -0.40 -0.20 -0.22 0.00 -0.03 0.00 0.00 56.01 55.16 2jkv n LEU 209 Cb 0.84 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.79 2jkv n LEU 209 CO 0.19 0.18 -0.03 0.61 -1.33 0.00 0.00 177.39 177.01 2jkv n GLY 210 N 1.40 -0.51 3.81 -0.72 0.00 -1.03 -4.96 105.19 103.18 2jkv n GLY 210 Ca 0.10 0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2jkv n GLY 210 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jkv s MET 211 N -5.71 3.94 0.61 1.61 -1.94 -0.60 -4.99 119.30 112.21 2jkv s MET 211 Ca 0.30 1.22 -0.10 0.00 -1.71 0.00 0.00 55.69 55.39 2jkv s MET 211 Cb -0.14 -2.13 -0.03 0.00 2.01 0.00 0.00 34.83 34.55 2jkv s MET 211 CO 0.37 -0.30 1.00 0.00 -0.01 0.00 0.00 175.02 176.08 2jkv s ALA 212 N -2.16 3.12 0.15 3.03 0.00 -1.26 -4.68 121.76 119.96 2jkv s ALA 212 Ca 0.64 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.18 2jkv s ALA 212 Cb -0.13 -2.96 0.05 0.00 0.00 0.00 0.00 23.12 20.08 2jkv s ALA 212 CO 0.20 -0.73 1.72 1.96 0.00 0.00 0.00 175.76 178.90 2jkv h GLN 213 N -0.29 0.12 0.00 0.00 1.08 -1.97 -0.59 115.11 113.46 2jkv h GLN 213 Ca -0.45 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 56.64 2jkv h GLN 213 Cb 1.21 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 2jkv h GLN 213 CO 0.62 0.08 -0.49 -0.44 -0.95 0.00 0.00 178.83 177.65 2jkv h ASP 214 N 0.13 0.00 -0.48 1.46 3.32 -1.94 -0.08 116.42 118.82 2jkv h ASP 214 Ca 0.15 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 2jkv h ASP 214 Cb 0.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2jkv h ASP 214 CO -0.23 0.49 -0.03 -0.08 -1.72 0.00 0.00 179.24 177.67 2jkv h GLU 215 N 0.00 0.88 -0.44 3.56 4.81 -1.76 -0.96 114.58 120.66 2jkv h GLU 215 Ca -0.00 -0.30 -0.09 0.00 -0.13 0.00 0.00 59.36 58.84 2jkv h GLU 215 Cb 0.99 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 2jkv h GLU 215 CO 0.06 0.93 -0.07 0.52 -0.73 0.00 0.00 179.01 179.73 2jkv h MET 216 N 0.73 0.83 -0.60 1.92 2.86 -0.70 -1.55 114.93 118.42 2jkv h MET 216 Ca 0.13 -0.30 0.12 0.00 -2.06 0.00 0.00 59.70 57.60 2jkv h MET 216 Cb 0.56 -0.06 -0.11 0.00 0.06 0.00 0.00 31.60 32.05 2jkv h MET 216 CO 0.03 0.92 -0.06 0.00 1.06 0.00 0.00 176.91 178.87 2jkv h ALA 217 N 0.88 0.52 -0.75 6.32 0.00 -0.89 -1.74 119.26 123.59 2jkv h ALA 217 Ca 0.12 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.24 2jkv h ALA 217 Cb 0.59 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2jkv h ALA 217 CO 0.04 -0.41 0.50 0.37 0.00 0.00 0.00 179.25 179.74 2jkv h GLN 218 N 0.07 0.99 -0.26 0.00 5.75 -0.76 -0.29 115.11 120.60 2jkv h GLN 218 Ca 0.30 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.77 2jkv h GLN 218 Cb 0.48 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 2jkv h GLN 218 CO -0.55 0.66 0.07 0.00 -2.65 0.00 0.00 178.83 176.36 2jkv h ALA 219 N 1.28 0.28 -0.64 3.38 0.00 -0.51 -0.14 119.26 122.90 2jkv h ALA 219 Ca 0.28 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 2jkv h ALA 219 Cb -0.12 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2jkv h ALA 219 CO -0.06 -0.34 0.22 0.74 0.00 0.00 0.00 179.25 179.81 2jkv h PHE 220 N 0.18 1.02 -0.83 0.00 0.04 -0.98 0.85 116.94 117.21 2jkv h PHE 220 Ca 0.12 -0.09 0.08 0.00 2.80 0.00 0.00 57.97 60.88 2jkv h PHE 220 Cb 0.10 -0.30 -0.07 0.00 2.20 0.00 0.00 35.95 37.88 2jkv h PHE 220 CO -0.14 0.82 0.49 1.49 -0.60 0.00 0.00 178.31 180.37 2jkv h GLU 221 N 0.92 0.83 -0.16 1.51 4.81 -0.63 -0.65 114.58 121.22 2jkv h GLU 221 Ca 0.21 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 2jkv h GLU 221 Cb 0.26 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 2jkv h GLU 221 CO -0.01 0.55 -0.18 -0.44 -0.73 0.00 0.00 179.01 178.19 2jkv h ASP 222 N 0.85 0.43 -0.56 1.04 3.32 -0.61 -3.04 116.42 117.85 2jkv h ASP 222 Ca 0.39 -0.50 0.13 0.00 0.02 0.00 0.00 57.03 57.08 2jkv h ASP 222 Cb 0.29 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 2jkv h ASP 222 CO -0.22 0.84 0.39 -0.50 -1.72 0.00 0.00 179.24 178.03 2jkv h TRP 223 N 0.03 0.18 0.00 4.55 6.55 -0.42 -0.98 115.95 125.86 2jkv h TRP 223 Ca 0.02 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.87 2jkv h TRP 223 Cb 0.73 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 28.97 2jkv h TRP 223 CO 0.09 0.08 0.00 -1.71 -1.05 0.00 0.00 178.44 175.85 2jkv n ASN 224 N -4.43 0.00 0.02 -3.49 5.15 -0.29 -2.32 115.26 109.91 2jkv n ASN 224 Ca 0.10 0.09 0.11 0.00 -0.60 0.00 0.00 54.58 54.29 2jkv n ASN 224 Cb 0.52 -0.30 -0.01 0.00 -0.53 0.00 0.00 39.78 39.46 2jkv n ASN 224 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2jkv n LYS 225 N -1.30 0.31 0.00 1.20 5.02 -0.37 -3.98 118.16 119.03 2jkv n LYS 225 Ca 0.07 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2jkv n LYS 225 Cb 0.13 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 2jkv n LYS 225 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2jkv n THR 226 N -1.97 0.00 0.23 -0.18 -2.24 -0.98 -4.89 114.28 104.26 2jkv n THR 226 Ca 0.01 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.86 2jkv n THR 226 Cb 0.44 0.00 0.55 0.00 -2.10 0.00 0.00 70.33 69.22 2jkv n THR 226 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jkv h GLU 227 N 0.00 0.00 -0.01 -0.78 3.07 -1.92 -1.64 114.58 113.30 2jkv h GLU 227 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2jkv h GLU 227 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2jkv h GLU 227 CO 0.00 0.15 0.00 1.28 -1.40 0.00 0.00 179.01 179.04 2jkv n LEU 228 N -4.29 0.08 -4.44 1.33 4.77 -1.24 -4.75 117.00 108.45 2jkv n LEU 228 Ca -0.02 -0.03 -0.50 0.00 -0.03 0.00 0.00 56.01 55.42 2jkv n LEU 228 Cb 0.22 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 2jkv n LEU 228 CO 0.35 0.02 1.82 -0.67 -1.33 0.00 0.00 177.39 177.58 2jkv n ASP 229 N -0.63 2.04 -3.52 -1.43 2.03 -0.62 -4.69 116.55 109.74 2jkv n ASP 229 Ca 0.09 0.37 -0.10 0.00 0.52 0.00 0.00 54.79 55.67 2jkv n ASP 229 Cb 0.05 -1.25 -0.03 0.00 -0.72 0.00 0.00 41.12 39.17 2jkv n ASP 229 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2jkv s SER 230 N 7.53 -0.40 0.17 1.67 1.04 -1.26 -1.07 113.70 121.38 2jkv s SER 230 Ca 1.10 0.14 -0.14 0.00 0.48 0.00 0.00 55.95 57.53 2jkv s SER 230 Cb -0.86 0.39 0.13 0.00 0.10 0.00 0.00 66.02 65.79 2jkv s SER 230 CO 0.48 -0.58 1.72 0.15 0.98 0.00 0.00 173.24 176.00 2jkv h PHE 231 N 2.20 0.15 -0.61 5.02 3.57 -1.65 -1.76 116.94 123.85 2jkv h PHE 231 Ca -0.22 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.22 2jkv h PHE 231 Cb 1.22 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 2jkv h PHE 231 CO 0.27 0.01 0.06 -0.07 -2.23 0.00 0.00 178.31 176.35 2jkv h LEU 232 N 0.22 0.98 -0.21 0.59 3.38 -1.83 -1.20 115.31 117.24 2jkv h LEU 232 Ca 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2jkv h LEU 232 Cb 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2jkv h LEU 232 CO -0.27 1.00 0.09 0.40 0.09 0.00 0.00 178.44 179.74 2jkv h ILE 233 N 0.95 1.16 -0.19 1.22 1.08 -1.81 -2.11 117.51 117.80 2jkv h ILE 233 Ca 0.18 -0.47 0.05 0.00 -0.39 0.00 0.00 64.86 64.23 2jkv h ILE 233 Cb 0.47 1.09 -0.06 0.00 -3.07 0.00 0.00 36.82 35.25 2jkv h ILE 233 CO 0.02 0.16 -0.16 -0.08 -0.69 0.00 0.00 178.15 177.39 2jkv h GLU 234 N 0.19 -0.16 0.00 2.37 4.81 -0.98 -2.36 114.58 118.45 2jkv h GLU 234 Ca 0.07 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 2jkv h GLU 234 Cb 0.16 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2jkv h GLU 234 CO -0.01 -0.11 -0.35 -0.84 -0.73 0.00 0.00 179.01 176.98 2jkv h ILE 235 N -0.17 0.87 -0.56 2.32 3.07 -1.17 -2.49 117.51 119.37 2jkv h ILE 235 Ca 0.12 -1.41 -0.06 0.00 1.55 0.00 0.00 64.86 65.06 2jkv h ILE 235 Cb 0.35 1.86 -0.02 0.00 -0.27 0.00 0.00 36.82 38.73 2jkv h ILE 235 CO -0.29 0.34 0.10 0.74 -1.05 0.00 0.00 178.15 177.99 2jkv h THR 236 N 0.00 1.25 -0.60 0.16 2.02 -1.02 0.19 112.91 114.90 2jkv h THR 236 Ca -0.00 -0.95 0.03 0.00 0.77 0.00 0.00 66.41 66.26 2jkv h THR 236 Cb 0.83 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 2jkv h THR 236 CO 0.05 0.35 0.36 0.00 0.37 0.00 0.00 175.52 176.64 2jkv h ALA 237 N 1.01 0.79 -0.36 6.16 0.00 -1.00 -0.99 119.26 124.86 2jkv h ALA 237 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jkv h ALA 237 Cb 0.39 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jkv h ALA 237 CO 0.01 0.07 0.21 -0.91 0.00 0.00 0.00 179.25 178.63 2jkv h ASN 238 N 0.69 0.44 -0.52 0.00 2.35 -1.07 -2.76 115.58 114.71 2jkv h ASN 238 Ca 0.25 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2jkv h ASN 238 Cb 0.07 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 2jkv h ASN 238 CO -0.12 0.38 0.34 0.40 -1.65 0.00 0.00 177.43 176.78 2jkv h ILE 239 N 0.46 1.14 -0.64 2.81 2.04 -0.36 -1.94 117.51 121.02 2jkv h ILE 239 Ca 0.13 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.76 2jkv h ILE 239 Cb 0.03 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.46 2jkv h ILE 239 CO -0.02 0.13 0.43 -0.07 0.00 0.00 0.00 178.15 178.62 2jkv h LEU 240 N 0.70 0.64 -0.13 1.44 3.38 -1.06 -2.19 115.31 118.08 2jkv h LEU 240 Ca 0.19 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 2jkv h LEU 240 Cb -0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2jkv h LEU 240 CO -0.04 0.43 -0.43 0.11 0.09 0.00 0.00 178.44 178.60 2jkv h LYS 241 N 0.74 0.00 -6.67 1.13 1.57 -1.18 -3.42 116.57 108.74 2jkv h LYS 241 Ca 0.26 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.52 2jkv h LYS 241 Cb 0.12 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.49 2jkv h LYS 241 CO -0.07 0.43 0.98 0.12 -0.57 0.00 0.00 179.45 180.34 2jkv s PHE 242 N -3.07 2.90 -0.07 -1.35 5.36 -0.76 -4.95 117.98 116.05 2jkv s PHE 242 Ca 0.04 0.44 0.02 0.00 -0.96 0.00 0.00 56.93 56.48 2jkv s PHE 242 Cb 0.08 -4.10 -0.02 0.00 -0.34 0.00 0.00 43.02 38.63 2jkv s PHE 242 CO 0.73 -4.10 -0.13 -0.65 -1.46 0.00 0.00 175.22 169.61 2jkv s GLN 243 N 0.92 2.70 0.87 10.12 -0.21 -1.26 -1.98 119.66 130.82 2jkv s GLN 243 Ca 0.72 -0.67 -0.12 0.00 0.02 0.00 0.00 55.36 55.32 2jkv s GLN 243 Cb -0.49 -2.46 0.11 0.00 1.00 0.00 0.00 33.01 31.18 2jkv s GLN 243 CO 0.34 0.56 1.12 0.34 -2.12 0.00 0.00 175.29 175.53 2jkv s ASP 244 N -0.56 3.85 0.48 5.90 2.15 0.17 -4.81 116.67 123.86 2jkv s ASP 244 Ca 0.08 1.09 0.27 0.00 0.43 0.00 0.00 52.55 54.43 2jkv s ASP 244 Cb -0.12 -1.73 1.49 0.00 -0.30 0.00 0.00 42.92 42.27 2jkv s ASP 244 CO 0.01 -2.35 1.82 0.71 -0.17 0.00 0.00 175.17 175.20 2jkv h THR 245 N -1.35 0.00 -0.52 1.71 1.35 -2.00 0.85 112.91 112.94 2jkv h THR 245 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2jkv h THR 245 Cb 1.31 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 2jkv h THR 245 CO 0.61 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.98 2jkv n ASP 246 N -2.55 2.96 0.00 5.36 5.75 -1.26 -4.94 116.55 121.87 2jkv n ASP 246 Ca -0.02 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 2jkv n ASP 246 Cb 0.17 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 2jkv n ASP 246 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jkv n GLY 247 N 1.39 2.96 3.81 6.12 0.00 0.29 -5.02 105.19 114.74 2jkv n GLY 247 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2jkv n GLY 247 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkv s LYS 248 N -0.22 3.90 0.38 1.61 1.02 -1.26 -4.70 119.74 120.47 2jkv s LYS 248 Ca 0.00 1.18 -0.27 0.00 0.02 0.00 0.00 55.97 56.89 2jkv s LYS 248 Cb 0.00 -2.12 -0.10 0.00 -0.52 0.00 0.00 37.83 35.09 2jkv s LYS 248 CO 0.00 -0.32 1.40 -1.01 -0.92 0.00 0.00 175.35 174.49 2jkv s HIS 249 N -2.25 2.72 0.05 3.18 3.76 -1.26 0.45 115.29 121.94 2jkv s HIS 249 Ca 0.63 1.29 -0.15 0.00 -0.15 0.00 0.00 55.06 56.68 2jkv s HIS 249 Cb -0.13 -3.85 -0.27 0.00 1.11 0.00 0.00 32.58 29.44 2jkv s HIS 249 CO 0.22 -2.53 1.11 1.25 -0.85 0.00 0.00 174.74 173.95 2jkv h LEU 250 N 2.91 0.85 -0.73 0.89 5.85 -1.71 -3.37 115.31 119.99 2jkv h LEU 250 Ca -0.50 -0.80 0.10 0.00 0.84 0.00 0.00 57.88 57.51 2jkv h LEU 250 Cb 1.24 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 2jkv h LEU 250 CO 0.64 1.56 0.37 0.25 -0.34 0.00 0.00 178.44 180.91 2jkv h LEU 251 N 0.25 0.48 -1.18 2.25 5.85 -1.84 0.74 115.31 121.86 2jkv h LEU 251 Ca -0.16 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2jkv h LEU 251 Cb 1.81 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.82 2jkv h LEU 251 CO 0.22 0.27 0.00 -0.65 -0.34 0.00 0.00 178.44 177.94 2jkv h PRO 252 N 0.62 0.00 0.00 5.25 0.11 -1.97 -1.50 132.00 134.50 2jkv h PRO 252 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 2jkv h PRO 252 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.51 2jkv h PRO 252 CO -0.28 0.00 -0.28 1.63 -0.21 0.00 0.00 178.00 178.86 2jkv n LYS 253 N -2.32 0.22 -2.77 1.05 5.02 0.25 -4.92 118.16 114.69 2jkv n LYS 253 Ca 0.00 0.12 -0.41 0.00 -2.02 0.00 0.00 58.31 56.00 2jkv n LYS 253 Cb 0.13 -1.70 -0.04 0.00 -0.02 0.00 0.00 35.03 33.41 2jkv n LYS 253 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jkv s ILE 254 N -3.10 4.70 0.34 -0.18 1.01 -0.57 -5.00 121.20 118.39 2jkv s ILE 254 Ca 0.09 1.98 -0.29 0.00 0.00 0.00 0.00 60.65 62.43 2jkv s ILE 254 Cb 0.14 -4.28 -0.11 0.00 0.01 0.00 0.00 42.46 38.22 2jkv s ILE 254 CO 0.65 0.26 1.50 -0.60 0.00 0.00 0.00 174.94 176.74 2jkv s ARG 255 N 0.43 4.15 -0.53 2.79 3.52 -1.26 -4.90 118.95 123.15 2jkv s ARG 255 Ca 0.47 2.52 -0.03 0.00 -0.13 0.00 0.00 55.73 58.56 2jkv s ARG 255 Cb -0.22 -3.01 0.20 0.00 -1.56 0.00 0.00 34.95 30.36 2jkv s ARG 255 CO 0.28 -0.52 2.39 -3.47 -0.81 0.00 0.00 175.30 173.16 2jkv n ASP 256 N 1.17 6.84 -3.69 -2.12 2.03 -1.26 -4.81 116.55 114.72 2jkv n ASP 256 Ca 0.04 -3.38 -0.29 0.00 0.52 0.00 0.00 54.79 51.68 2jkv n ASP 256 Cb 0.39 -1.13 -0.15 0.00 -0.72 0.00 0.00 41.12 39.50 2jkv n ASP 256 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2jkv s SER 257 N -0.24 3.59 0.07 1.67 0.15 -1.26 -4.64 113.70 113.05 2jkv s SER 257 Ca 0.53 -1.32 -0.30 0.00 0.70 0.00 0.00 55.95 55.56 2jkv s SER 257 Cb 0.38 -0.67 -0.05 0.00 -1.71 0.00 0.00 66.02 63.98 2jkv s SER 257 CO -0.20 -0.39 1.00 0.00 1.20 0.00 0.00 173.24 174.85 2jkv s ALA 258 N 1.80 3.23 0.61 5.45 0.00 -1.26 -4.91 121.76 126.68 2jkv s ALA 258 Ca 0.06 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 2jkv s ALA 258 Cb -0.17 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.67 2jkv s ALA 258 CO -0.23 -0.15 0.88 0.20 0.00 0.00 0.00 175.76 176.46 2jkv s GLY 259 N 0.46 1.72 -0.01 0.00 0.00 -1.26 -4.71 107.32 103.52 2jkv s GLY 259 Ca 0.50 -1.06 -0.27 0.00 0.00 0.00 0.00 44.72 43.88 2jkv s GLY 259 CO 0.30 -0.74 0.61 -0.86 0.00 0.00 0.00 173.10 172.41 2jkv s GLN 260 N -4.97 1.04 -0.06 2.90 -2.07 -1.26 -5.07 119.66 110.18 2jkv s GLN 260 Ca 0.57 0.07 0.08 0.00 -1.82 0.00 0.00 55.36 54.26 2jkv s GLN 260 Cb -0.10 0.49 0.13 0.00 -1.09 0.00 0.00 33.01 32.43 2jkv s GLN 260 CO 0.42 -0.35 1.07 1.63 -1.32 0.00 0.00 175.29 176.74 2jkv n LYS 261 N 0.73 2.27 0.00 9.60 5.02 -1.26 -5.02 118.16 129.50 2jkv n LYS 261 Ca -0.19 -1.97 0.00 0.00 -2.02 0.00 0.00 58.31 54.13 2jkv n LYS 261 Cb 0.58 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 2jkv n LYS 261 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jkv n GLY 262 N -0.90 2.94 0.31 0.72 0.00 -1.26 -4.97 105.19 102.03 2jkv n GLY 262 Ca 0.07 -1.07 -0.00 0.00 0.00 0.00 0.00 46.02 45.01 2jkv n GLY 262 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jkv h THR 263 N 0.00 1.05 0.11 2.61 1.35 -1.95 0.97 112.91 117.05 2jkv h THR 263 Ca 0.00 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.53 2jkv h THR 263 Cb 0.00 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.45 2jkv h THR 263 CO 0.00 0.17 -0.05 1.23 -0.25 0.00 0.00 175.52 176.62 2jkv h GLY 264 N 0.94 -0.15 0.16 5.82 0.00 -1.87 -1.21 103.07 106.76 2jkv h GLY 264 Ca 0.35 0.06 0.12 0.00 0.00 0.00 0.00 47.33 47.86 2jkv h GLY 264 CO -0.16 -0.05 0.19 1.70 0.00 0.00 0.00 176.54 178.22 2jkv h LYS 265 N -0.21 0.32 -0.51 4.80 3.64 -1.81 -1.82 116.57 120.97 2jkv h LYS 265 Ca -0.01 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 2jkv h LYS 265 Cb 0.17 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2jkv h LYS 265 CO 0.02 0.21 0.07 -1.49 -2.27 0.00 0.00 179.45 176.00 2jkv h TRP 266 N 0.33 0.85 -0.39 1.91 6.55 -0.37 -1.10 115.95 123.72 2jkv h TRP 266 Ca 0.35 -0.10 -0.01 0.00 0.95 0.00 0.00 58.89 60.09 2jkv h TRP 266 Cb 0.53 -0.24 -0.02 0.00 -0.86 0.00 0.00 29.16 28.57 2jkv h TRP 266 CO -0.22 0.74 0.19 1.15 -1.05 0.00 0.00 178.44 179.26 2jkv h THR 267 N 0.77 1.17 -0.61 1.49 2.02 -0.43 0.39 112.91 117.70 2jkv h THR 267 Ca 0.16 -0.47 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 2jkv h THR 267 Cb 0.36 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 2jkv h THR 267 CO 0.01 0.18 0.19 0.00 0.37 0.00 0.00 175.52 176.27 2jkv h ALA 268 N 1.04 0.80 -0.65 6.16 0.00 -0.99 -1.32 119.26 124.30 2jkv h ALA 268 Ca 0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2jkv h ALA 268 Cb 0.11 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2jkv h ALA 268 CO -0.02 0.47 0.18 0.82 0.00 0.00 0.00 179.25 180.71 2jkv h ILE 269 N 0.87 1.25 -0.56 0.00 2.04 -0.95 -1.13 117.51 119.04 2jkv h ILE 269 Ca 0.20 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 2jkv h ILE 269 Cb 0.29 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 2jkv h ILE 269 CO -0.01 0.34 0.25 0.28 0.00 0.00 0.00 178.15 179.01 2jkv h SER 270 N 0.96 0.75 -0.27 1.72 0.02 -0.66 0.29 113.55 116.37 2jkv h SER 270 Ca 0.21 -0.15 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 2jkv h SER 270 Cb 0.33 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 2jkv h SER 270 CO -0.00 0.69 -0.04 0.00 -1.14 0.00 0.00 176.83 176.34 2jkv h ALA 271 N 1.09 0.20 -0.49 3.77 0.00 -0.98 -1.44 119.26 121.41 2jkv h ALA 271 Ca 0.19 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2jkv h ALA 271 Cb 0.16 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2jkv h ALA 271 CO -0.02 -0.45 0.19 -0.07 0.00 0.00 0.00 179.25 178.90 2jkv h LEU 272 N 0.03 0.69 -1.32 0.00 3.38 -0.89 -0.82 115.31 116.37 2jkv h LEU 272 Ca 0.13 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2jkv h LEU 272 Cb 0.18 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2jkv h LEU 272 CO -0.25 0.68 0.48 -0.33 0.09 0.00 0.00 178.44 179.11 2jkv h GLU 273 N 0.65 0.86 -0.40 1.13 5.08 -0.55 -2.96 114.58 118.39 2jkv h GLU 273 Ca 0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2jkv h GLU 273 Cb 0.21 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2jkv h GLU 273 CO -0.01 0.57 0.00 0.66 -1.00 0.00 0.00 179.01 179.23 2jkv n TYR 274 N -4.45 0.62 -2.97 4.33 4.01 -0.58 -4.99 117.16 113.13 2jkv n TYR 274 Ca 0.09 -0.54 -0.15 0.00 -0.16 0.00 0.00 57.90 57.14 2jkv n TYR 274 Cb 0.12 -0.06 0.04 0.00 -0.31 0.00 0.00 39.34 39.13 2jkv n TYR 274 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jkv n GLY 275 N 0.59 -0.06 3.57 2.72 0.00 -0.42 -5.02 105.19 106.57 2jkv n GLY 275 Ca 0.15 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2jkv n GLY 275 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkv s VAL 276 N -3.07 4.70 -1.18 1.61 1.01 -0.59 -5.02 120.40 117.86 2jkv s VAL 276 Ca 0.29 -0.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.04 2jkv s VAL 276 Cb -0.13 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2jkv s VAL 276 CO 0.35 0.40 2.12 -0.81 0.00 0.00 0.00 175.10 177.16 2jkv n PRO 277 N 4.15 2.32 -2.40 2.72 -0.04 -1.26 -4.46 135.00 136.02 2jkv n PRO 277 Ca -0.16 -2.26 -0.42 0.00 -0.04 0.00 0.00 63.50 60.61 2jkv n PRO 277 Cb 0.52 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 2jkv n PRO 277 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2jkv n VAL 278 N 5.40 4.55 0.06 0.52 0.31 -1.26 -4.80 118.33 123.11 2jkv n VAL 278 Ca 0.52 -4.62 -0.06 0.00 -0.01 0.00 0.00 64.34 60.17 2jkv n VAL 278 Cb 0.39 -2.30 0.11 0.00 -0.91 0.00 0.00 33.84 31.14 2jkv n VAL 278 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2jkv h THR 279 N 3.61 1.36 -0.30 2.52 1.35 -1.95 -3.18 112.91 116.31 2jkv h THR 279 Ca 0.39 -1.86 -0.01 0.00 -0.55 0.00 0.00 66.41 64.38 2jkv h THR 279 Cb 0.60 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 2jkv h THR 279 CO 1.58 0.56 0.16 -0.07 -0.25 0.00 0.00 175.52 177.49 2jkv h LEU 280 N 0.26 0.39 -0.72 3.87 3.38 -1.90 -1.91 115.31 118.68 2jkv h LEU 280 Ca 0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2jkv h LEU 280 Cb 1.06 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2jkv h LEU 280 CO 0.09 0.38 0.43 -0.29 0.09 0.00 0.00 178.44 179.15 2jkv h ILE 281 N 0.36 1.20 -0.10 1.22 6.09 -1.84 0.56 117.51 125.01 2jkv h ILE 281 Ca 0.11 -0.45 0.04 0.00 -1.37 0.00 0.00 64.86 63.18 2jkv h ILE 281 Cb 0.09 0.21 -0.04 0.00 0.47 0.00 0.00 36.82 37.54 2jkv h ILE 281 CO -0.02 0.21 -0.16 1.23 -3.07 0.00 0.00 178.15 176.35 2jkv h GLY 282 N 0.98 -0.12 1.08 8.18 0.00 -1.49 -0.37 103.07 111.33 2jkv h GLY 282 Ca 0.26 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.75 2jkv h GLY 282 CO -0.05 -0.16 0.42 0.83 0.00 0.00 0.00 176.54 177.59 2jkv h GLU 283 N -0.21 1.19 -0.14 4.80 4.39 -0.92 -1.27 114.58 122.41 2jkv h GLU 283 Ca 0.08 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 2jkv h GLU 283 Cb 0.33 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2jkv h GLU 283 CO -0.22 0.90 0.07 0.00 -1.16 0.00 0.00 179.01 178.60 2jkv h ALA 284 N 1.28 0.18 -0.29 3.43 0.00 -0.46 0.27 119.26 123.67 2jkv h ALA 284 Ca 0.29 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2jkv h ALA 284 Cb 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jkv h ALA 284 CO -0.04 -0.28 0.18 0.28 0.00 0.00 0.00 179.25 179.39 2jkv h VAL 285 N 0.12 1.10 -0.36 0.00 2.07 -0.84 -2.48 116.25 115.85 2jkv h VAL 285 Ca 0.05 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2jkv h VAL 285 Cb 0.09 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2jkv h VAL 285 CO -0.01 0.10 0.04 -0.26 0.02 0.00 0.00 177.57 177.46 2jkv h PHE 286 N 0.37 0.57 -0.56 1.57 0.04 -1.01 -2.00 116.94 115.92 2jkv h PHE 286 Ca 0.10 -0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.86 2jkv h PHE 286 Cb 0.00 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 37.95 2jkv h PHE 286 CO -0.05 0.53 0.32 0.00 -0.60 0.00 0.00 178.31 178.52 2jkv h ALA 287 N 1.51 0.72 -0.47 2.45 0.00 -0.14 0.10 119.26 123.44 2jkv h ALA 287 Ca 0.12 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2jkv h ALA 287 Cb 0.28 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2jkv h ALA 287 CO 0.00 0.03 0.30 0.00 0.00 0.00 0.00 179.25 179.58 2jkv h ARG 288 N 0.64 0.58 -0.21 0.00 3.08 -0.96 -0.96 114.38 116.54 2jkv h ARG 288 Ca 0.23 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.29 2jkv h ARG 288 Cb 0.06 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 2jkv h ARG 288 CO -0.12 0.39 -0.05 0.00 -1.07 0.00 0.00 179.97 179.12 2jkv h LEU 290 N 0.01 0.81 -1.37 0.00 5.85 -0.57 -1.77 115.31 118.26 2jkv h LEU 290 Ca 0.10 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 2jkv h LEU 290 Cb 0.15 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2jkv h LEU 290 CO -0.21 0.46 -0.31 0.77 -0.34 0.00 0.00 178.44 178.80 2jkv h SER 291 N 0.91 0.00 0.50 1.25 4.64 -0.48 -2.30 113.55 118.07 2jkv h SER 291 Ca 0.43 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.72 2jkv h SER 291 Cb 0.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2jkv h SER 291 CO -0.24 0.31 -0.16 0.28 -0.87 0.00 0.00 176.83 176.15 2jkv h SER 292 N 0.00 0.00 0.00 4.97 0.02 -0.62 -3.03 113.55 114.89 2jkv h SER 292 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2jkv h SER 292 Cb 0.57 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2jkv h SER 292 CO 0.04 0.16 -0.04 0.18 -1.14 0.00 0.00 176.83 176.03 2jkv n LEU 293 N -3.60 4.28 -0.07 5.07 4.77 -0.87 -4.59 117.00 121.99 2jkv n LEU 293 Ca -0.01 -2.06 -0.07 0.00 -0.03 0.00 0.00 56.01 53.84 2jkv n LEU 293 Cb 0.29 -0.95 -0.01 0.00 -2.33 0.00 0.00 43.42 40.43 2jkv n LEU 293 CO 0.31 0.89 0.77 0.50 -1.33 0.00 0.00 177.39 178.53 2jkv h LYS 294 N 1.93 -0.08 -0.67 3.23 1.63 -1.74 0.78 116.57 121.65 2jkv h LYS 294 Ca 0.03 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 2jkv h LYS 294 Cb 0.87 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.49 2jkv h LYS 294 CO 0.05 -0.05 0.34 -0.44 -3.45 0.00 0.00 179.45 175.89 2jkv h ASP 295 N -0.08 0.86 -0.99 4.20 3.32 -1.91 -1.03 116.42 120.80 2jkv h ASP 295 Ca 0.15 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.09 2jkv h ASP 295 Cb 0.30 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 2jkv h ASP 295 CO -0.34 0.74 0.65 -0.33 -1.72 0.00 0.00 179.24 178.24 2jkv h GLU 296 N 0.93 1.28 -0.43 3.56 5.08 -1.74 -2.15 114.58 121.10 2jkv h GLU 296 Ca 0.23 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 2jkv h GLU 296 Cb 0.09 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2jkv h GLU 296 CO -0.03 0.85 -0.18 0.00 -1.00 0.00 0.00 179.01 178.64 2jkv h ARG 297 N 1.32 0.83 -0.28 2.33 3.08 -0.01 0.26 114.38 121.91 2jkv h ARG 297 Ca 0.37 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2jkv h ARG 297 Cb -0.12 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2jkv h ARG 297 CO -0.09 0.95 0.18 0.82 -1.07 0.00 0.00 179.97 180.76 2jkv h ILE 298 N 0.73 1.06 0.20 2.04 2.04 -1.06 -0.28 117.51 122.24 2jkv h ILE 298 Ca 0.11 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.85 2jkv h ILE 298 Cb 0.70 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 2jkv h ILE 298 CO 0.05 0.07 -0.33 -0.61 0.00 0.00 0.00 178.15 177.33 2jkv h GLN 299 N 0.37 -0.58 -0.09 2.37 5.75 -0.99 -2.99 115.11 118.95 2jkv h GLN 299 Ca 0.10 0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 2jkv h GLN 299 Cb -0.03 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 2jkv h GLN 299 CO -0.03 -0.39 -0.05 0.00 -2.65 0.00 0.00 178.83 175.71 2jkv h ALA 300 N -0.02 1.76 0.00 3.38 0.00 -0.30 -2.28 119.26 121.80 2jkv h ALA 300 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jkv h ALA 300 Cb 0.60 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jkv h ALA 300 CO -0.15 0.18 0.00 0.66 0.00 0.00 0.00 179.25 179.94 2jkv h SER 301 N 0.12 0.00 1.51 0.00 4.64 -0.89 0.11 113.55 119.04 2jkv h SER 301 Ca 0.03 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.25 2jkv h SER 301 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 2jkv h SER 301 CO 0.01 0.00 -0.50 0.11 -0.87 0.00 0.00 176.83 175.58 2jkv h LYS 302 N 0.00 0.00 0.00 4.77 1.79 -1.45 -3.39 116.57 118.29 2jkv h LYS 302 Ca 0.00 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.18 2jkv h LYS 302 Cb 0.37 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.96 2jkv h LYS 302 CO 0.00 0.43 -2.10 1.63 -1.08 0.00 0.00 179.45 178.34 2jkv n LYS 303 N -3.19 0.65 -3.30 3.15 5.02 -0.74 -4.95 118.16 114.79 2jkv n LYS 303 Ca 0.02 0.09 -0.40 0.00 -2.02 0.00 0.00 58.31 56.00 2jkv n LYS 303 Cb 0.72 -1.39 -0.08 0.00 -0.02 0.00 0.00 35.03 34.25 2jkv n LYS 303 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jkv s LEU 304 N -5.98 4.17 0.26 -0.35 1.43 -0.05 -5.05 118.68 113.11 2jkv s LEU 304 Ca -0.23 0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 53.00 2jkv s LEU 304 Cb 0.06 -2.53 -0.06 0.00 0.03 0.00 0.00 46.19 43.69 2jkv s LEU 304 CO 0.48 -0.32 0.56 -0.54 0.23 0.00 0.00 176.35 176.76 2jkv s LYS 305 N 2.23 3.72 0.00 1.70 1.02 -1.26 -4.76 119.74 122.40 2jkv s LYS 305 Ca 0.18 0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.33 2jkv s LYS 305 Cb -0.16 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 2jkv s LYS 305 CO 0.11 0.26 0.00 0.41 -0.92 0.00 0.00 175.35 175.20 2jkv n GLY 306 N -0.53 1.69 3.69 -3.33 0.00 -1.26 -5.03 105.19 100.42 2jkv n GLY 306 Ca -0.00 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 2jkv n GLY 306 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jkv s PRO 307 N 2.84 4.22 -0.00 1.61 0.02 -1.26 -4.93 135.00 137.50 2jkv s PRO 307 Ca 0.00 2.28 -0.18 0.00 0.02 0.00 0.00 61.00 63.11 2jkv s PRO 307 Cb 0.00 -3.51 -0.34 0.00 0.02 0.00 0.00 34.50 30.67 2jkv s PRO 307 CO 0.00 -0.68 0.94 1.96 -0.33 0.00 0.00 177.00 178.90 2jkv h GLN 308 N 7.94 0.45 -1.27 5.54 1.08 -1.96 -3.39 115.11 123.51 2jkv h GLN 308 Ca -0.42 -0.77 -0.59 0.00 -1.45 0.00 0.00 58.65 55.43 2jkv h GLN 308 Cb 1.20 0.28 -0.41 0.00 -0.05 0.00 0.00 27.48 28.50 2jkv h GLN 308 CO 0.92 1.37 -0.63 1.63 -0.95 0.00 0.00 178.83 181.17 2jkv n LYS 309 N -3.87 3.44 -2.65 1.46 4.76 -1.26 -5.04 118.16 114.99 2jkv n LYS 309 Ca -0.16 -4.32 -0.41 0.00 -2.87 0.00 0.00 58.31 50.56 2jkv n LYS 309 Cb 1.00 -2.26 -0.05 0.00 -1.84 0.00 0.00 35.03 31.88 2jkv n LYS 309 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2jkv s PHE 310 N -3.59 3.79 -0.10 2.13 5.36 -1.26 -5.04 117.98 119.27 2jkv s PHE 310 Ca 0.50 1.78 -0.00 0.00 -0.96 0.00 0.00 56.93 58.25 2jkv s PHE 310 Cb 0.41 -3.11 0.02 0.00 -0.34 0.00 0.00 43.02 40.00 2jkv s PHE 310 CO -0.12 0.01 -0.07 -1.14 -1.46 0.00 0.00 175.22 172.44 2jkv s GLN 311 N -0.73 1.43 0.54 10.12 2.00 -1.26 -5.10 119.66 126.66 2jkv s GLN 311 Ca 0.45 -0.23 -0.21 0.00 -2.00 0.00 0.00 55.36 53.37 2jkv s GLN 311 Cb -0.27 -1.48 -0.05 0.00 0.80 0.00 0.00 33.01 32.01 2jkv s GLN 311 CO 0.33 -0.23 1.26 0.12 -0.50 0.00 0.00 175.29 176.27 2jkv s PHE 312 N 1.59 2.48 -1.13 1.67 5.36 -1.26 -4.92 117.98 121.78 2jkv s PHE 312 Ca 0.02 1.47 0.22 0.00 -0.96 0.00 0.00 56.93 57.68 2jkv s PHE 312 Cb -0.13 -3.58 1.01 0.00 -0.34 0.00 0.00 43.02 39.98 2jkv s PHE 312 CO -0.06 -2.30 1.73 -0.40 -1.46 0.00 0.00 175.22 172.73 2jkv n ASP 313 N -1.07 0.00 0.00 6.13 5.68 -1.26 -4.91 116.55 121.12 2jkv n ASP 313 Ca 0.11 0.34 0.00 0.00 -0.50 0.00 0.00 54.79 54.74 2jkv n ASP 313 Cb 0.47 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 2jkv n ASP 313 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jkv n GLY 314 N 0.76 2.83 3.56 6.12 0.00 -1.26 -5.04 105.19 112.16 2jkv n GLY 314 Ca 0.07 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 2jkv n GLY 314 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jkv s ASP 315 N -0.04 6.26 0.03 1.61 -1.08 -1.26 -4.86 116.67 117.33 2jkv s ASP 315 Ca 0.00 -1.52 -0.20 0.00 -0.52 0.00 0.00 52.55 50.31 2jkv s ASP 315 Cb 0.00 -2.57 -0.17 0.00 -1.46 0.00 0.00 42.92 38.72 2jkv s ASP 315 CO 0.00 -1.73 1.25 0.50 0.52 0.00 0.00 175.17 175.71 2jkv h LYS 316 N 9.62 0.40 -0.25 4.34 3.64 -1.99 -2.11 116.57 130.22 2jkv h LYS 316 Ca 0.23 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2jkv h LYS 316 Cb 0.98 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 2jkv h LYS 316 CO 1.39 0.89 0.15 -0.22 -2.27 0.00 0.00 179.45 179.39 2jkv h LYS 317 N -0.03 0.35 -0.56 1.90 3.64 -2.00 -0.12 116.57 119.75 2jkv h LYS 317 Ca -0.01 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2jkv h LYS 317 Cb 0.91 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 2jkv h LYS 317 CO 0.06 0.29 0.34 1.03 -2.27 0.00 0.00 179.45 178.90 2jkv h SER 318 N 0.31 0.54 0.04 4.20 0.87 -1.97 -2.38 113.55 115.16 2jkv h SER 318 Ca 0.09 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.54 2jkv h SER 318 Cb 0.04 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2jkv h SER 318 CO -0.02 0.38 -0.38 0.15 -0.53 0.00 0.00 176.83 176.43 2jkv h PHE 319 N 0.66 0.52 -0.66 2.24 3.57 -1.07 -2.06 116.94 120.15 2jkv h PHE 319 Ca 0.23 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2jkv h PHE 319 Cb 0.03 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 2jkv h PHE 319 CO -0.06 0.77 0.42 1.25 -2.23 0.00 0.00 178.31 178.46 2jkv h LEU 320 N 0.37 0.77 -1.07 0.59 5.85 -0.70 -0.18 115.31 120.95 2jkv h LEU 320 Ca 0.04 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2jkv h LEU 320 Cb 0.84 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 2jkv h LEU 320 CO 0.07 0.58 0.29 -0.08 -0.34 0.00 0.00 178.44 178.96 2jkv h GLU 321 N 0.90 0.95 -0.37 1.25 4.57 -1.26 -1.58 114.58 119.03 2jkv h GLU 321 Ca 0.24 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.30 2jkv h GLU 321 Cb -0.07 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.32 2jkv h GLU 321 CO -0.05 0.75 0.21 -0.44 -1.18 0.00 0.00 179.01 178.30 2jkv h ASP 322 N 0.94 0.34 -0.74 1.04 3.32 -0.59 -1.12 116.42 119.60 2jkv h ASP 322 Ca 0.23 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.34 2jkv h ASP 322 Cb 0.14 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.57 2jkv h ASP 322 CO -0.02 0.25 0.43 0.40 -1.72 0.00 0.00 179.24 178.58 2jkv h ILE 323 N 0.43 0.99 -0.09 0.35 2.04 -0.55 -0.16 117.51 120.53 2jkv h ILE 323 Ca 0.15 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.75 2jkv h ILE 323 Cb 0.01 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 2jkv h ILE 323 CO -0.07 0.14 -0.03 -0.09 0.00 0.00 0.00 178.15 178.10 2jkv h ARG 324 N 0.79 -0.01 -0.36 2.37 2.43 -0.71 -0.20 114.38 118.69 2jkv h ARG 324 Ca 0.33 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.39 2jkv h ARG 324 Cb 0.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2jkv h ARG 324 CO -0.18 -0.01 -0.22 0.87 -1.51 0.00 0.00 179.97 178.92 2jkv h LYS 325 N -0.01 0.71 -0.62 0.20 1.57 -0.87 -1.33 116.57 116.22 2jkv h LYS 325 Ca 0.05 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 2jkv h LYS 325 Cb 0.08 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 2jkv h LYS 325 CO -0.10 0.87 0.31 0.00 -0.57 0.00 0.00 179.45 179.96 2jkv h ALA 326 N 1.13 0.80 -0.60 3.86 0.00 -0.78 -1.15 119.26 122.52 2jkv h ALA 326 Ca 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2jkv h ALA 326 Cb 0.71 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2jkv h ALA 326 CO 0.05 0.35 0.25 1.25 0.00 0.00 0.00 179.25 181.15 2jkv h LEU 327 N 0.85 0.82 -0.11 0.00 5.85 -0.66 -0.88 115.31 121.18 2jkv h LEU 327 Ca 0.21 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2jkv h LEU 327 Cb 0.09 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2jkv h LEU 327 CO -0.03 0.76 0.06 0.22 -0.34 0.00 0.00 178.44 179.11 2jkv h TYR 328 N 0.83 0.16 -0.35 1.25 3.20 -0.91 0.58 116.97 121.73 2jkv h TYR 328 Ca 0.20 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 2jkv h TYR 328 Cb 0.18 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 2jkv h TYR 328 CO 0.01 0.20 0.14 0.00 -1.64 0.00 0.00 178.16 176.87 2jkv h ALA 329 N 0.94 0.45 -0.67 1.82 0.00 -1.01 -1.20 119.26 119.59 2jkv h ALA 329 Ca 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2jkv h ALA 329 Cb 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2jkv h ALA 329 CO -0.01 0.04 0.25 0.77 0.00 0.00 0.00 179.25 180.31 2jkv h SER 330 N 0.41 0.93 -0.93 0.00 0.02 -1.08 -1.55 113.55 111.36 2jkv h SER 330 Ca 0.12 -0.18 0.10 0.00 -0.84 0.00 0.00 61.79 60.99 2jkv h SER 330 Cb 0.18 -0.24 -0.08 0.00 0.14 0.00 0.00 62.40 62.40 2jkv h SER 330 CO -0.01 0.86 0.56 0.50 -1.14 0.00 0.00 176.83 177.60 2jkv h LYS 331 N 0.95 0.91 -0.01 3.45 3.64 -0.58 -0.36 116.57 124.57 2jkv h LYS 331 Ca 0.22 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2jkv h LYS 331 Cb 0.23 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2jkv h LYS 331 CO -0.02 0.60 0.01 0.82 -2.27 0.00 0.00 179.45 178.59 2jkv h ILE 332 N 0.93 1.03 -0.63 2.00 2.04 -0.29 -2.49 117.51 120.10 2jkv h ILE 332 Ca 0.44 -0.08 0.11 0.00 1.00 0.00 0.00 64.86 66.33 2jkv h ILE 332 Cb 0.39 1.06 -0.08 0.00 -0.74 0.00 0.00 36.82 37.45 2jkv h ILE 332 CO -0.24 0.02 0.22 0.40 0.00 0.00 0.00 178.15 178.55 2jkv h ILE 333 N -0.02 0.72 -0.35 -0.67 1.08 -0.50 -0.64 117.51 117.14 2jkv h ILE 333 Ca 0.00 -0.13 0.07 0.00 -0.39 0.00 0.00 64.86 64.41 2jkv h ILE 333 Cb 0.03 0.31 -0.09 0.00 -3.07 0.00 0.00 36.82 34.00 2jkv h ILE 333 CO -0.00 0.07 -0.41 -1.28 -0.69 0.00 0.00 178.15 175.84 2jkv h SER 334 N 0.38 -1.34 -0.65 1.72 0.87 -0.75 0.02 113.55 113.79 2jkv h SER 334 Ca 0.33 0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 61.02 2jkv h SER 334 Cb 0.44 0.59 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 2jkv h SER 334 CO -0.34 -0.37 0.14 1.88 -0.53 0.00 0.00 176.83 177.60 2jkv h TYR 335 N -0.35 1.12 -0.74 2.24 -1.99 -1.01 -1.99 116.97 114.25 2jkv h TYR 335 Ca 0.13 -0.14 0.04 0.00 2.00 0.00 0.00 58.73 60.76 2jkv h TYR 335 Cb 0.58 -0.31 -0.05 0.00 2.00 0.00 0.00 36.73 38.95 2jkv h TYR 335 CO -0.58 0.93 0.46 0.00 -0.00 0.00 0.00 178.16 178.97 2jkv h ALA 336 N 1.05 0.97 -0.12 3.88 0.00 -0.57 -1.07 119.26 123.41 2jkv h ALA 336 Ca 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2jkv h ALA 336 Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jkv h ALA 336 CO 0.01 0.23 0.04 1.96 0.00 0.00 0.00 179.25 181.48 2jkv h GLN 337 N 0.88 0.19 -0.75 0.00 4.20 -0.86 -1.88 115.11 116.89 2jkv h GLN 337 Ca 0.30 -0.04 0.16 0.00 0.06 0.00 0.00 58.65 59.13 2jkv h GLN 337 Cb 0.06 -0.03 -0.14 0.00 0.30 0.00 0.00 27.48 27.67 2jkv h GLN 337 CO -0.13 0.32 -0.13 0.78 -0.67 0.00 0.00 178.83 179.01 2jkv h GLY 338 N 0.02 0.64 2.00 3.46 0.00 -0.92 -1.14 103.07 107.14 2jkv h GLY 338 Ca 0.04 0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.52 2jkv h GLY 338 CO -0.00 -0.29 -0.28 0.74 0.00 0.00 0.00 176.54 176.70 2jkv h PHE 339 N 0.03 0.00 -0.61 5.60 -1.00 -0.94 -2.02 116.94 117.99 2jkv h PHE 339 Ca 0.38 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.14 2jkv h PHE 339 Cb 0.62 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.15 2jkv h PHE 339 CO -0.54 0.28 0.29 0.52 -1.61 0.00 0.00 178.31 177.25 2jkv h MET 340 N 0.00 0.89 -0.42 1.51 2.86 -0.41 -1.28 114.93 118.08 2jkv h MET 340 Ca -0.00 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.44 2jkv h MET 340 Cb 0.90 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 2jkv h MET 340 CO 0.04 0.72 -0.00 1.25 1.06 0.00 0.00 176.91 179.97 2jkv h LEU 341 N 0.84 0.73 -0.37 1.22 5.85 -0.94 -1.61 115.31 121.04 2jkv h LEU 341 Ca 0.21 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.64 2jkv h LEU 341 Cb 0.12 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2jkv h LEU 341 CO -0.03 0.86 0.20 -0.07 -0.34 0.00 0.00 178.44 179.07 2jkv h LEU 342 N 0.58 0.32 -0.67 2.25 3.38 -1.23 -0.75 115.31 119.19 2jkv h LEU 342 Ca 0.12 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.16 2jkv h LEU 342 Cb 0.49 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2jkv h LEU 342 CO 0.02 0.23 0.37 -0.09 0.09 0.00 0.00 178.44 179.07 2jkv h ARG 343 N 0.42 0.67 -0.66 1.13 2.43 -1.15 -1.79 114.38 115.42 2jkv h ARG 343 Ca 0.15 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 2jkv h ARG 343 Cb 0.03 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 2jkv h ARG 343 CO -0.08 0.44 0.26 0.37 -1.51 0.00 0.00 179.97 179.45 2jkv h GLN 344 N 0.69 0.99 -0.55 0.20 5.75 -0.75 -2.38 115.11 119.05 2jkv h GLN 344 Ca 0.30 -0.18 0.01 0.00 -0.15 0.00 0.00 58.65 58.63 2jkv h GLN 344 Cb 0.20 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 2jkv h GLN 344 CO -0.19 0.83 0.36 0.00 -2.65 0.00 0.00 178.83 177.19 2jkv h ALA 345 N 1.11 0.69 -0.87 3.38 0.00 -0.77 0.17 119.26 122.97 2jkv h ALA 345 Ca 0.22 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.18 2jkv h ALA 345 Cb 0.22 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 2jkv h ALA 345 CO -0.02 0.14 0.52 0.00 0.00 0.00 0.00 179.25 179.89 2jkv h ALA 346 N 1.20 1.23 -0.01 0.00 0.00 -1.01 0.76 119.26 121.43 2jkv h ALA 346 Ca 0.20 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jkv h ALA 346 Cb -0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2jkv h ALA 346 CO -0.04 0.19 -0.01 1.15 0.00 0.00 0.00 179.25 180.54 2jkv h THR 347 N 0.90 1.37 -0.95 0.00 2.02 -0.90 0.15 112.91 115.49 2jkv h THR 347 Ca 0.41 -1.10 0.05 0.00 0.77 0.00 0.00 66.41 66.54 2jkv h THR 347 Cb 0.31 2.09 -0.06 0.00 -1.74 0.00 0.00 68.15 68.75 2jkv h THR 347 CO -0.22 0.29 0.61 -0.33 0.37 0.00 0.00 175.52 176.24 2jkv h GLU 348 N -0.43 1.11 -0.00 6.66 4.39 -0.16 -3.31 114.58 122.84 2jkv h GLU 348 Ca 0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2jkv h GLU 348 Cb 0.48 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2jkv h GLU 348 CO 0.00 0.73 -0.15 1.19 -1.16 0.00 0.00 179.01 179.62 2jkv n PHE 349 N -4.52 0.00 -1.00 4.33 3.72 0.21 -4.99 117.46 115.22 2jkv n PHE 349 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 2jkv n PHE 349 Cb 0.15 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 2jkv n PHE 349 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jkv n GLY 350 N 0.84 0.54 3.74 1.37 0.00 0.51 -5.00 105.19 107.19 2jkv n GLY 350 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2jkv n GLY 350 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jkv s TRP 351 N -2.19 2.79 -1.18 1.61 0.51 -1.18 -4.93 118.94 114.37 2jkv s TRP 351 Ca 0.00 0.69 -0.10 0.00 -2.12 0.00 0.00 56.10 54.57 2jkv s TRP 351 Cb 0.00 -4.08 0.22 0.00 -0.81 0.00 0.00 33.47 28.80 2jkv s TRP 351 CO 0.00 -3.73 1.40 0.25 -0.51 0.00 0.00 176.95 174.36 2jkv n THR 352 N 2.60 4.51 -2.76 2.01 -2.24 -1.26 -4.53 114.28 112.60 2jkv n THR 352 Ca 0.10 -5.04 -0.41 0.00 -2.27 0.00 0.00 64.05 56.43 2jkv n THR 352 Cb 0.37 -2.44 -0.05 0.00 -2.10 0.00 0.00 70.33 66.11 2jkv n THR 352 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2jkv s LEU 353 N -0.14 4.54 -0.62 3.22 1.43 -1.26 -4.89 118.68 120.95 2jkv s LEU 353 Ca 0.37 1.81 -0.17 0.00 -1.03 0.00 0.00 54.13 55.11 2jkv s LEU 353 Cb -0.02 -3.56 0.13 0.00 0.03 0.00 0.00 46.19 42.76 2jkv s LEU 353 CO -0.01 0.01 0.66 0.21 0.23 0.00 0.00 176.35 177.45 2jkv s ASN 354 N -0.35 6.29 0.09 2.29 3.84 -1.26 -4.95 114.94 120.89 2jkv s ASN 354 Ca 0.44 -1.76 -0.20 0.00 0.21 0.00 0.00 52.86 51.55 2jkv s ASN 354 Cb -0.24 -2.26 -0.09 0.00 -0.55 0.00 0.00 41.25 38.11 2jkv s ASN 354 CO 0.30 -0.95 1.62 1.88 -2.79 0.00 0.00 177.10 177.16 2jkv h TYR 355 N 8.88 0.30 -0.68 0.43 0.05 -1.95 0.35 116.97 124.35 2jkv h TYR 355 Ca -0.22 -0.02 0.10 0.00 0.05 0.00 0.00 58.73 58.63 2jkv h TYR 355 Cb 1.08 -0.09 -0.07 0.00 1.01 0.00 0.00 36.73 38.66 2jkv h TYR 355 CO 0.84 0.36 0.31 0.78 -1.05 0.00 0.00 178.16 179.40 2jkv h GLY 356 N 0.16 1.01 1.19 3.88 0.00 -1.87 -1.60 103.07 105.84 2jkv h GLY 356 Ca 0.06 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 2jkv h GLY 356 CO -0.00 0.03 0.10 -1.33 0.00 0.00 0.00 176.54 175.33 2jkv h GLY 357 N 0.54 1.07 0.98 4.60 0.00 -1.78 -1.80 103.07 106.68 2jkv h GLY 357 Ca 0.34 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 2jkv h GLY 357 CO -0.28 0.64 0.27 -2.22 0.00 0.00 0.00 176.54 174.95 2jkv h ILE 358 N 0.94 1.15 -0.64 2.60 2.04 -0.49 -1.00 117.51 122.11 2jkv h ILE 358 Ca 0.19 -0.35 0.11 0.00 1.00 0.00 0.00 64.86 65.81 2jkv h ILE 358 Cb 0.41 0.55 -0.08 0.00 -0.74 0.00 0.00 36.82 36.96 2jkv h ILE 358 CO 0.01 0.15 0.23 0.00 0.00 0.00 0.00 178.15 178.54 2jkv h ALA 359 N 1.12 0.83 -0.33 1.87 0.00 -0.98 -2.22 119.26 119.56 2jkv h ALA 359 Ca 0.16 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2jkv h ALA 359 Cb 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jkv h ALA 359 CO -0.03 -0.20 -0.17 -0.07 0.00 0.00 0.00 179.25 178.78 2jkv h LEU 360 N 0.40 0.59 -2.49 0.00 3.38 -0.71 -2.08 115.31 114.40 2jkv h LEU 360 Ca 0.33 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.14 2jkv h LEU 360 Cb 0.44 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2jkv h LEU 360 CO -0.34 0.77 0.08 0.24 0.09 0.00 0.00 178.44 179.29 2jkv h MET 361 N 0.54 0.00 -0.13 1.13 2.86 -0.58 -2.38 114.93 116.37 2jkv h MET 361 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2jkv h MET 361 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 2jkv h MET 361 CO 0.04 0.00 0.00 0.91 1.06 0.00 0.00 176.91 178.92 2jkv n TRP 362 N -3.60 0.16 0.34 -0.22 8.01 -0.78 -4.26 117.44 117.09 2jkv n TRP 362 Ca -0.02 -0.08 0.13 0.00 -1.31 0.00 0.00 57.50 56.23 2jkv n TRP 362 Cb 0.17 0.00 0.36 0.00 -2.01 0.00 0.00 31.31 29.83 2jkv n TRP 362 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2jkv h ARG 363 N 2.55 0.00 -4.30 -0.99 3.08 -1.49 -3.29 114.38 109.94 2jkv h ARG 363 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 2jkv h ARG 363 Cb 0.55 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.45 2jkv h ARG 363 CO 0.00 0.00 -0.68 0.20 -1.07 0.00 0.00 179.97 178.42 2jkv s GLY 364 N -4.00 0.51 -1.73 0.04 0.00 -1.26 -4.85 107.32 96.03 2jkv s GLY 364 Ca 0.06 -1.20 -0.18 0.00 0.00 0.00 0.00 44.72 43.40 2jkv s GLY 364 CO 0.60 -1.31 0.70 0.61 0.00 0.00 0.00 173.10 173.70 2jkv n GLY 365 N 0.17 -0.41 2.99 0.20 0.00 -1.24 -3.64 105.19 103.26 2jkv n GLY 365 Ca -0.14 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2jkv n GLY 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkv h ILE 367 N 5.35 1.21 -0.76 0.00 1.08 -1.90 -2.64 117.51 119.86 2jkv h ILE 367 Ca -0.32 -0.97 -0.23 0.00 -0.39 0.00 0.00 64.86 62.95 2jkv h ILE 367 Cb 1.18 1.32 -0.14 0.00 -3.07 0.00 0.00 36.82 36.11 2jkv h ILE 367 CO 0.42 0.30 0.29 2.30 -0.69 0.00 0.00 178.15 180.77 2jkv n ILE 368 N -4.21 2.96 -1.67 -0.67 -5.35 -1.26 -4.09 119.36 105.07 2jkv n ILE 368 Ca -0.01 -1.67 -0.49 0.00 -0.27 0.00 0.00 62.75 60.31 2jkv n ILE 368 Cb 0.32 -0.36 -0.05 0.00 -1.74 0.00 0.00 39.64 37.80 2jkv n ILE 368 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2jkv n ARG 369 N -0.22 1.96 -4.03 6.28 0.63 -1.00 -4.93 116.66 115.36 2jkv n ARG 369 Ca 0.42 0.72 -0.09 0.00 -0.92 0.00 0.00 57.85 57.98 2jkv n ARG 369 Cb 1.41 -2.50 -0.11 0.00 0.45 0.00 0.00 32.46 31.71 2jkv n ARG 369 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2jkv s SER 370 N 2.85 0.45 0.54 6.15 0.15 -1.26 -2.02 113.70 120.56 2jkv s SER 370 Ca 0.89 -0.66 0.31 0.00 0.70 0.00 0.00 55.95 57.19 2jkv s SER 370 Cb -0.76 0.12 1.52 0.00 -1.71 0.00 0.00 66.02 65.19 2jkv s SER 370 CO 0.49 -0.37 2.07 1.62 1.20 0.00 0.00 173.24 178.25 2jkv h VAL 371 N 4.15 0.33 -0.05 4.45 3.04 -1.40 -2.77 116.25 124.00 2jkv h VAL 371 Ca -0.33 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 64.83 2jkv h VAL 371 Cb 1.19 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.86 2jkv h VAL 371 CO 0.49 0.08 0.00 2.22 -1.01 0.00 0.00 177.57 179.35 2jkv n PHE 372 N -3.37 0.04 -0.14 3.17 1.16 -1.26 -3.94 117.46 113.12 2jkv n PHE 372 Ca -0.01 -0.02 0.16 0.00 -1.87 0.00 0.00 57.45 55.71 2jkv n PHE 372 Cb 0.25 0.00 0.54 0.00 -1.61 0.00 0.00 39.48 38.66 2jkv n PHE 372 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 2jkv h LEU 373 N 2.84 0.33 -1.18 5.98 3.38 -1.85 0.50 115.31 125.31 2jkv h LEU 373 Ca 0.00 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2jkv h LEU 373 Cb 0.61 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2jkv h LEU 373 CO 0.00 0.17 -0.20 1.23 0.09 0.00 0.00 178.44 179.73 2jkv h GLY 374 N 0.35 0.35 1.15 0.83 0.00 -1.81 -2.02 103.07 101.92 2jkv h GLY 374 Ca 0.35 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.32 2jkv h GLY 374 CO -0.10 0.23 -0.11 0.50 0.00 0.00 0.00 176.54 177.07 2jkv h LYS 375 N 0.30 1.00 -0.30 4.80 1.79 -0.28 -1.30 116.57 122.59 2jkv h LYS 375 Ca 0.05 -0.36 -0.00 0.00 -2.18 0.00 0.00 60.65 58.16 2jkv h LYS 375 Cb 0.52 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 2jkv h LYS 375 CO 0.03 1.04 0.17 0.82 -1.08 0.00 0.00 179.45 180.44 2jkv h ILE 376 N 0.89 1.11 -0.43 1.86 2.04 -0.96 -0.29 117.51 121.73 2jkv h ILE 376 Ca 0.14 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.77 2jkv h ILE 376 Cb 0.66 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 2jkv h ILE 376 CO 0.05 0.11 0.14 0.50 0.00 0.00 0.00 178.15 178.95 2jkv h LYS 377 N 0.37 0.29 -0.57 2.37 1.63 -1.20 -2.09 116.57 117.37 2jkv h LYS 377 Ca 0.11 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.93 2jkv h LYS 377 Cb 0.03 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.55 2jkv h LYS 377 CO -0.02 0.19 0.31 -0.44 -3.45 0.00 0.00 179.45 176.04 2jkv h ASP 378 N 0.30 0.47 -0.28 4.20 3.32 -0.83 0.40 116.42 123.99 2jkv h ASP 378 Ca 0.20 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.32 2jkv h ASP 378 Cb 0.21 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 2jkv h ASP 378 CO -0.22 0.32 -0.01 0.00 -1.72 0.00 0.00 179.24 177.61 2jkv h ALA 379 N 1.29 0.24 0.00 3.45 0.00 -0.64 -0.63 119.26 122.97 2jkv h ALA 379 Ca 0.25 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 2jkv h ALA 379 Cb 0.12 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jkv h ALA 379 CO -0.15 -0.42 -0.32 0.74 0.00 0.00 0.00 179.25 179.10 2jkv h PHE 380 N 0.07 0.00 -0.14 0.00 0.04 -1.05 -1.89 116.94 113.97 2jkv h PHE 380 Ca 0.13 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 2jkv h PHE 380 Cb 0.18 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2jkv h PHE 380 CO -0.22 0.32 0.02 -0.44 -0.60 0.00 0.00 178.31 177.39 2jkv h ASP 381 N 0.00 0.22 0.36 2.17 3.32 -0.28 -1.68 116.42 120.54 2jkv h ASP 381 Ca -0.00 -0.27 -0.07 0.00 0.02 0.00 0.00 57.03 56.71 2jkv h ASP 381 Cb 0.82 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 2jkv h ASP 381 CO 0.04 0.43 -0.35 0.03 -1.72 0.00 0.00 179.24 177.67 2jkv h ARG 382 N 0.01 0.00 -1.51 3.56 3.08 -0.94 -3.40 114.38 115.18 2jkv h ARG 382 Ca 0.04 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.88 2jkv h ARG 382 Cb 0.31 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.10 2jkv h ARG 382 CO 0.00 0.35 -0.56 1.21 -1.07 0.00 0.00 179.97 179.90 2jkv s ASN 383 N -6.93 -0.11 0.59 7.04 2.47 -0.73 -5.00 114.94 112.27 2jkv s ASN 383 Ca -0.03 -1.07 0.39 0.00 0.42 0.00 0.00 52.86 52.57 2jkv s ASN 383 Cb 0.14 1.24 2.00 0.00 -1.45 0.00 0.00 41.25 43.18 2jkv s ASN 383 CO 0.72 -0.23 2.18 -0.65 -3.72 0.00 0.00 177.10 175.40 2jkv h PRO 384 N 7.18 0.00 -0.32 0.43 0.11 -1.52 -0.86 132.00 137.01 2jkv h PRO 384 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2jkv h PRO 384 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2jkv h PRO 384 CO 0.16 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.34 2jkv n GLU 385 N -2.96 2.23 -1.71 1.05 -0.58 -1.26 -4.98 120.64 112.43 2jkv n GLU 385 Ca -0.02 -1.86 -0.66 0.00 -0.42 0.00 0.00 57.16 54.20 2jkv n GLU 385 Cb 0.13 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 29.44 2jkv n GLU 385 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2jkv n LEU 386 N 1.07 1.06 0.16 -4.62 7.94 -0.33 -4.84 117.00 117.44 2jkv n LEU 386 Ca 0.18 1.18 0.09 0.00 -1.11 0.00 0.00 56.01 56.35 2jkv n LEU 386 Cb 0.50 -0.88 0.08 0.00 0.53 0.00 0.00 43.42 43.65 2jkv n LEU 386 CO 0.15 -0.96 0.44 1.56 -1.11 0.00 0.00 177.39 177.47 2jkv h GLN 387 N 4.73 0.00 -1.94 1.96 4.20 -1.93 -3.46 115.11 118.66 2jkv h GLN 387 Ca -0.45 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.24 2jkv h GLN 387 Cb 1.37 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.93 2jkv h GLN 387 CO 0.93 0.11 0.17 1.21 -0.67 0.00 0.00 178.83 180.59 2jkv s ASN 388 N -5.98 -0.71 0.51 1.46 2.47 -1.26 -4.87 114.94 106.56 2jkv s ASN 388 Ca 0.04 1.37 0.16 0.00 0.42 0.00 0.00 52.86 54.85 2jkv s ASN 388 Cb 0.07 1.38 1.25 0.00 -1.45 0.00 0.00 41.25 42.50 2jkv s ASN 388 CO 0.73 -0.24 2.13 -0.07 -3.72 0.00 0.00 177.10 175.94 2jkv h LEU 389 N 4.97 0.00 -2.36 3.21 3.38 -1.90 -1.68 115.31 120.93 2jkv h LEU 389 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2jkv h LEU 389 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2jkv h LEU 389 CO 0.06 0.02 -0.03 -0.07 0.09 0.00 0.00 178.44 178.52 2jkv h LEU 390 N 0.00 0.00 0.00 1.67 3.38 -1.95 -1.26 115.31 117.16 2jkv h LEU 390 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jkv h LEU 390 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jkv h LEU 390 CO 0.00 0.03 -0.07 -0.07 0.09 0.00 0.00 178.44 178.42 2jkv h LEU 391 N 0.00 0.00 -9.87 1.67 3.38 -1.70 -3.25 115.31 105.54 2jkv h LEU 391 Ca -0.00 -0.02 -0.49 0.00 0.09 0.00 0.00 57.88 57.46 2jkv h LEU 391 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.83 2jkv h LEU 391 CO 0.00 0.01 0.42 -0.62 0.09 0.00 0.00 178.44 178.34 2jkv s ASP 392 N -4.77 7.12 0.19 -0.43 2.15 -0.47 -4.87 116.67 115.59 2jkv s ASP 392 Ca 0.10 2.09 -0.12 0.00 0.43 0.00 0.00 52.55 55.05 2jkv s ASP 392 Cb 0.11 -2.60 0.11 0.00 -0.30 0.00 0.00 42.92 40.24 2jkv s ASP 392 CO 0.62 -0.23 1.84 0.44 -0.17 0.00 0.00 175.17 177.66 2jkv h ASP 393 N 3.27 0.76 -0.69 -0.34 3.32 -1.86 0.71 116.42 121.59 2jkv h ASP 393 Ca -0.47 -0.05 0.08 0.00 0.02 0.00 0.00 57.03 56.61 2jkv h ASP 393 Cb 1.21 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.50 2jkv h ASP 393 CO 0.65 0.59 0.34 0.15 -1.72 0.00 0.00 179.24 179.25 2jkv h PHE 394 N 0.87 0.62 0.15 4.55 3.57 -1.92 0.54 116.94 125.32 2jkv h PHE 394 Ca 0.23 0.03 -0.29 0.00 3.53 0.00 0.00 57.97 61.47 2jkv h PHE 394 Cb -0.05 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 38.53 2jkv h PHE 394 CO -0.02 0.24 -1.33 0.74 -2.23 0.00 0.00 178.31 175.71 2jkv h PHE 395 N 0.60 0.59 -0.45 0.41 0.04 -1.69 -2.39 116.94 114.04 2jkv h PHE 395 Ca 0.33 -0.43 0.01 0.00 2.80 0.00 0.00 57.97 60.68 2jkv h PHE 395 Cb 0.33 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 2jkv h PHE 395 CO -0.11 1.35 0.29 -0.22 -0.60 0.00 0.00 178.31 179.02 2jkv h LYS 396 N 0.09 0.56 -0.37 1.51 3.64 -0.65 -1.90 116.57 119.45 2jkv h LYS 396 Ca -0.17 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.12 2jkv h LYS 396 Cb 2.02 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.70 2jkv h LYS 396 CO 0.21 0.37 0.03 0.77 -2.27 0.00 0.00 179.45 178.57 2jkv h SER 397 N 0.58 0.61 -0.25 4.20 0.02 -0.93 -0.71 113.55 117.06 2jkv h SER 397 Ca 0.17 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2jkv h SER 397 Cb -0.03 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2jkv h SER 397 CO -0.06 0.74 0.15 0.00 -1.14 0.00 0.00 176.83 176.52 2jkv h ALA 398 N 0.89 0.31 -0.68 3.77 0.00 -1.30 -0.27 119.26 121.98 2jkv h ALA 398 Ca 0.11 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2jkv h ALA 398 Cb 0.40 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2jkv h ALA 398 CO 0.01 -0.24 0.15 0.28 0.00 0.00 0.00 179.25 179.45 2jkv h VAL 399 N 0.30 1.26 -0.84 0.00 2.07 -1.22 -1.88 116.25 115.95 2jkv h VAL 399 Ca 0.10 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 2jkv h VAL 399 Cb -0.00 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 2jkv h VAL 399 CO -0.05 0.38 0.52 -0.08 0.02 0.00 0.00 177.57 178.37 2jkv h GLU 400 N 1.03 1.13 0.00 1.57 4.81 -0.64 -0.97 114.58 121.51 2jkv h GLU 400 Ca 0.21 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2jkv h GLU 400 Cb 0.40 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2jkv h GLU 400 CO 0.01 0.78 0.00 -0.91 -0.73 0.00 0.00 179.01 178.16 2jkv h ASN 401 N 1.15 0.00 0.32 1.04 2.35 -0.63 -3.05 115.58 116.76 2jkv h ASN 401 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2jkv h ASN 401 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 2jkv h ASN 401 CO -0.06 0.00 -0.99 0.00 -1.65 0.00 0.00 177.43 174.73 2jkv h GLN 403 N 0.00 -0.11 -0.31 0.00 4.15 -1.08 0.19 115.11 117.95 2jkv h GLN 403 Ca 0.00 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2jkv h GLN 403 Cb 0.66 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 2jkv h GLN 403 CO 0.00 -0.08 0.19 -0.44 -1.93 0.00 0.00 178.83 176.57 2jkv h ASP 404 N -0.12 0.36 -0.63 -0.69 5.19 -1.82 -1.33 116.42 117.38 2jkv h ASP 404 Ca 0.14 -0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 2jkv h ASP 404 Cb 0.33 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.72 2jkv h ASP 404 CO -0.33 0.29 0.38 0.28 -3.12 0.00 0.00 179.24 176.74 2jkv h SER 405 N 0.40 0.77 -0.21 6.45 0.02 -1.71 -1.30 113.55 117.97 2jkv h SER 405 Ca 0.11 -0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.05 2jkv h SER 405 Cb -0.01 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.28 2jkv h SER 405 CO -0.02 0.61 -0.20 -0.25 -1.14 0.00 0.00 176.83 175.83 2jkv h TRP 406 N 0.86 -0.52 -0.28 3.45 2.91 -0.21 0.11 115.95 122.28 2jkv h TRP 406 Ca 0.23 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 60.17 2jkv h TRP 406 Cb -0.01 0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 28.88 2jkv h TRP 406 CO -0.02 -0.28 -0.29 0.00 -1.03 0.00 0.00 178.44 176.83 2jkv h ARG 407 N -0.21 0.56 -0.36 2.65 3.08 -0.99 -1.58 114.38 117.52 2jkv h ARG 407 Ca 0.12 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 2jkv h ARG 407 Cb 0.40 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2jkv h ARG 407 CO -0.33 0.79 0.11 -0.09 -1.07 0.00 0.00 179.97 179.38 2jkv h ARG 408 N 0.49 0.57 -0.19 0.04 2.43 -0.81 -0.66 114.38 116.25 2jkv h ARG 408 Ca 0.06 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2jkv h ARG 408 Cb 0.75 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2jkv h ARG 408 CO 0.06 0.59 0.09 0.00 -1.51 0.00 0.00 179.97 179.20 2jkv h ALA 409 N 0.95 0.24 -0.12 2.80 0.00 -0.47 -1.11 119.26 121.56 2jkv h ALA 409 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2jkv h ALA 409 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jkv h ALA 409 CO -0.00 -0.20 0.03 0.28 0.00 0.00 0.00 179.25 179.35 2jkv h VAL 410 N 0.17 1.19 -0.88 0.00 2.07 -1.26 -0.16 116.25 117.39 2jkv h VAL 410 Ca 0.06 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2jkv h VAL 410 Cb 0.11 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 2jkv h VAL 410 CO -0.01 0.18 0.52 -1.28 0.02 0.00 0.00 177.57 176.99 2jkv h SER 411 N -0.00 1.07 -0.33 0.57 0.87 -1.03 0.19 113.55 114.88 2jkv h SER 411 Ca 0.04 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 2jkv h SER 411 Cb 0.25 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2jkv h SER 411 CO 0.00 0.83 0.06 0.74 -0.53 0.00 0.00 176.83 177.93 2jkv h THR 412 N 1.21 1.23 -0.66 2.23 2.02 -1.14 -1.98 112.91 115.82 2jkv h THR 412 Ca 0.31 -0.80 0.06 0.00 0.77 0.00 0.00 66.41 66.76 2jkv h THR 412 Cb -0.03 1.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 2jkv h THR 412 CO -0.06 0.27 0.36 1.23 0.37 0.00 0.00 175.52 177.68 2jkv h GLY 413 N 0.37 0.97 1.01 2.16 0.00 -0.04 0.49 103.07 108.02 2jkv h GLY 413 Ca 0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 2jkv h GLY 413 CO 0.00 0.13 0.29 -2.08 0.00 0.00 0.00 176.54 174.89 2jkv h VAL 414 N 0.65 1.23 -0.25 4.60 2.07 -0.50 -0.55 116.25 123.50 2jkv h VAL 414 Ca 0.30 -0.70 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 2jkv h VAL 414 Cb 0.21 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2jkv h VAL 414 CO -0.20 0.28 -0.19 1.56 0.02 0.00 0.00 177.57 179.05 2jkv h GLN 415 N 0.93 0.44 0.00 1.57 1.08 -0.55 -2.67 115.11 115.91 2jkv h GLN 415 Ca 0.22 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2jkv h GLN 415 Cb 0.17 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2jkv h GLN 415 CO -0.02 0.62 -0.04 0.00 -0.95 0.00 0.00 178.83 178.44 2jkv h ALA 416 N 1.40 0.98 0.00 3.87 0.00 -0.59 -3.45 119.26 121.47 2jkv h ALA 416 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jkv h ALA 416 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2jkv h ALA 416 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 2jkv n GLY 417 N 1.23 0.76 3.65 0.00 0.00 -0.40 -4.70 105.19 105.72 2jkv n GLY 417 Ca 0.05 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 2jkv n GLY 417 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkv s ILE 418 N -2.00 5.03 -0.05 -0.61 -1.09 -0.35 -4.98 121.20 117.15 2jkv s ILE 418 Ca 0.00 1.12 -0.29 0.00 -2.23 0.00 0.00 60.65 59.25 2jkv s ILE 418 Cb 0.00 -3.92 -0.07 0.00 -1.58 0.00 0.00 42.46 36.89 2jkv s ILE 418 CO 0.00 0.10 2.01 -2.84 -1.23 0.00 0.00 174.94 172.98 2jkv s PRO 419 N 2.00 3.86 -0.46 2.79 0.02 -1.26 -4.54 135.00 137.41 2jkv s PRO 419 Ca 0.27 2.40 0.09 0.00 0.02 0.00 0.00 61.00 63.77 2jkv s PRO 419 Cb -0.16 -4.21 0.32 0.00 0.02 0.00 0.00 34.50 30.47 2jkv s PRO 419 CO 0.10 -1.28 0.76 -1.33 -0.33 0.00 0.00 177.00 174.92 2jkv n MET 420 N 7.86 1.75 -0.29 5.54 2.81 -1.26 -4.90 117.12 128.62 2jkv n MET 420 Ca 0.22 -3.92 0.05 0.00 -1.81 0.00 0.00 57.70 52.24 2jkv n MET 420 Cb 0.42 -1.83 0.19 0.00 -0.71 0.00 0.00 33.22 31.29 2jkv n MET 420 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 2jkv h PRO 421 N 3.31 0.71 0.23 0.03 0.11 -1.96 -1.13 132.00 133.31 2jkv h PRO 421 Ca 0.11 -0.04 -0.30 0.00 0.11 0.00 0.00 66.00 65.88 2jkv h PRO 421 Cb 0.79 -0.16 0.04 0.00 0.11 0.00 0.00 31.00 31.77 2jkv h PRO 421 CO 0.62 0.47 -1.34 0.00 -0.21 0.00 0.00 178.00 177.55 2jkv h PHE 423 N 0.03 0.57 -0.30 0.00 0.04 -1.90 -1.57 116.94 113.81 2jkv h PHE 423 Ca -0.23 0.02 -0.17 0.00 2.80 0.00 0.00 57.97 60.38 2jkv h PHE 423 Cb 2.05 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 40.01 2jkv h PHE 423 CO 0.15 0.34 -0.48 1.79 -0.60 0.00 0.00 178.31 179.51 2jkv h THR 424 N 0.61 1.28 -0.25 -1.55 1.35 -1.29 -2.12 112.91 110.94 2jkv h THR 424 Ca 0.19 -1.67 -0.13 0.00 -0.55 0.00 0.00 66.41 64.25 2jkv h THR 424 Cb -0.02 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 2jkv h THR 424 CO -0.07 0.54 -0.38 0.00 -0.25 0.00 0.00 175.52 175.37 2jkv h THR 425 N 0.65 1.29 -0.38 6.82 1.03 -1.32 0.61 112.91 121.60 2jkv h THR 425 Ca 0.03 -1.52 -0.03 0.00 -0.01 0.00 0.00 66.41 64.88 2jkv h THR 425 Cb 1.06 1.50 -0.02 0.00 -1.07 0.00 0.00 68.15 69.63 2jkv h THR 425 CO 0.11 0.48 0.12 0.00 -0.01 0.00 0.00 175.52 176.21 2jkv h ALA 426 N 1.11 0.50 -0.29 0.00 0.00 -1.19 0.36 119.26 119.74 2jkv h ALA 426 Ca 0.05 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2jkv h ALA 426 Cb 0.87 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2jkv h ALA 426 CO 0.07 0.15 -0.04 1.25 0.00 0.00 0.00 179.25 180.69 2jkv h LEU 427 N 0.47 0.54 -0.84 0.00 5.85 -1.28 -1.47 115.31 118.59 2jkv h LEU 427 Ca 0.12 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.57 2jkv h LEU 427 Cb 0.27 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 2jkv h LEU 427 CO -0.00 0.75 0.51 0.28 -0.34 0.00 0.00 178.44 179.64 2jkv h SER 428 N 0.32 0.79 -0.34 1.25 0.02 -0.74 -0.09 113.55 114.77 2jkv h SER 428 Ca 0.08 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2jkv h SER 428 Cb 0.50 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2jkv h SER 428 CO 0.02 0.50 0.10 0.15 -1.14 0.00 0.00 176.83 176.46 2jkv h PHE 429 N 0.92 0.55 -0.27 3.45 3.57 -0.76 0.40 116.94 124.81 2jkv h PHE 429 Ca 0.37 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.86 2jkv h PHE 429 Cb 0.19 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 2jkv h PHE 429 CO -0.04 0.55 0.01 -0.92 -2.23 0.00 0.00 178.31 175.68 2jkv h TYR 430 N 0.39 0.01 -0.25 0.41 3.20 -0.57 0.95 116.97 121.12 2jkv h TYR 430 Ca 0.11 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 2jkv h TYR 430 Cb 0.26 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2jkv h TYR 430 CO 0.01 -0.03 -0.12 -0.44 -1.64 0.00 0.00 178.16 175.94 2jkv h ASP 431 N 0.10 0.40 -0.07 -2.11 3.32 -0.89 -2.37 116.42 114.79 2jkv h ASP 431 Ca 0.13 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 2jkv h ASP 431 Cb 0.16 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2jkv h ASP 431 CO -0.20 0.56 -0.14 1.23 -1.72 0.00 0.00 179.24 178.96 2jkv h GLY 432 N 0.88 0.25 1.99 2.75 0.00 -0.47 -3.08 103.07 105.39 2jkv h GLY 432 Ca 0.07 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 2jkv h GLY 432 CO 0.03 0.26 -0.19 -1.82 0.00 0.00 0.00 176.54 174.82 2jkv h TYR 433 N -0.25 0.01 0.00 5.60 3.20 -0.70 -2.82 116.97 122.01 2jkv h TYR 433 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2jkv h TYR 433 Cb 0.72 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.99 2jkv h TYR 433 CO 0.11 0.20 -0.86 2.89 -1.64 0.00 0.00 178.16 178.86 2jkv n ARG 434 N -4.31 0.40 -2.44 1.82 1.85 -0.90 -4.85 116.66 108.23 2jkv n ARG 434 Ca -0.02 0.08 -0.43 0.00 -1.00 0.00 0.00 57.85 56.48 2jkv n ARG 434 Cb 0.25 -1.71 -0.02 0.00 -1.05 0.00 0.00 32.46 29.93 2jkv n ARG 434 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2jkv s HIS 435 N -3.24 3.02 0.16 2.89 3.76 -1.06 -4.94 115.29 115.87 2jkv s HIS 435 Ca 0.03 1.11 -0.11 0.00 -0.15 0.00 0.00 55.06 55.94 2jkv s HIS 435 Cb 0.12 -3.46 0.03 0.00 1.11 0.00 0.00 32.58 30.38 2jkv s HIS 435 CO 0.76 -1.51 1.61 1.49 -0.85 0.00 0.00 174.74 176.24 2jkv h GLU 436 N 7.82 0.93 -5.44 1.40 4.81 -1.88 -3.42 114.58 118.80 2jkv h GLU 436 Ca -0.30 -0.30 -0.65 0.00 -0.13 0.00 0.00 59.36 57.98 2jkv h GLU 436 Cb 1.13 -0.08 -0.21 0.00 0.63 0.00 0.00 28.75 30.22 2jkv h GLU 436 CO 0.92 0.96 -0.68 -1.64 -0.73 0.00 0.00 179.01 177.85 2jkv s MET 437 N -5.00 3.50 0.24 1.92 -1.94 -1.26 -5.12 119.30 111.64 2jkv s MET 437 Ca -0.12 -0.53 0.10 0.00 -1.71 0.00 0.00 55.69 53.42 2jkv s MET 437 Cb 0.12 -2.84 -0.05 0.00 2.01 0.00 0.00 34.83 34.07 2jkv s MET 437 CO 0.83 0.31 -0.17 -0.51 -0.01 0.00 0.00 175.02 175.48 2jkv s LEU 438 N 0.15 2.57 0.00 -0.03 1.43 -1.26 -5.03 118.68 116.52 2jkv s LEU 438 Ca -0.02 -1.03 0.09 0.00 -1.03 0.00 0.00 54.13 52.14 2jkv s LEU 438 Cb -0.14 -0.87 0.52 0.00 0.03 0.00 0.00 46.19 45.74 2jkv s LEU 438 CO 0.03 -0.08 1.01 -2.65 0.23 0.00 0.00 176.35 174.90 2jkv n PRO 439 N -0.49 0.57 0.17 1.29 -0.02 -1.26 -3.71 135.00 131.55 2jkv n PRO 439 Ca -0.07 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.58 2jkv n PRO 439 Cb 0.60 -1.24 0.77 0.00 -0.02 0.00 0.00 33.50 33.61 2jkv n PRO 439 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jkv h ALA 440 N 2.63 1.99 -0.82 3.55 0.00 -2.01 0.46 119.26 125.06 2jkv h ALA 440 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.04 2jkv h ALA 440 Cb 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2jkv h ALA 440 CO 0.00 -0.33 0.54 0.66 0.00 0.00 0.00 179.25 180.12 2jkv h SER 441 N 0.00 0.56 -0.51 0.00 4.64 -2.00 -0.58 113.55 115.66 2jkv h SER 441 Ca 0.11 0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.36 2jkv h SER 441 Cb 0.53 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2jkv h SER 441 CO -0.00 0.30 -0.06 0.25 -0.87 0.00 0.00 176.83 176.44 2jkv h LEU 442 N 0.60 0.96 -0.37 5.97 5.85 -1.22 -0.12 115.31 126.98 2jkv h LEU 442 Ca 0.40 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2jkv h LEU 442 Cb 0.71 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2jkv h LEU 442 CO -0.16 1.05 0.24 0.40 -0.34 0.00 0.00 178.44 179.63 2jkv h ILE 443 N 0.88 1.10 -0.72 4.05 2.04 -1.19 0.16 117.51 123.84 2jkv h ILE 443 Ca 0.15 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.85 2jkv h ILE 443 Cb 0.60 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 2jkv h ILE 443 CO 0.04 0.10 0.44 1.56 0.00 0.00 0.00 178.15 180.29 2jkv h GLN 444 N 0.50 0.82 -0.23 2.37 1.08 -0.96 -0.15 115.11 118.55 2jkv h GLN 444 Ca 0.14 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2jkv h GLN 444 Cb -0.05 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.19 2jkv h GLN 444 CO -0.03 0.54 0.15 0.00 -0.95 0.00 0.00 178.83 178.54 2jkv h ALA 445 N 1.32 0.29 -0.59 3.87 0.00 -0.55 -1.22 119.26 122.38 2jkv h ALA 445 Ca 0.30 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 2jkv h ALA 445 Cb 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2jkv h ALA 445 CO -0.13 -0.24 0.21 1.96 0.00 0.00 0.00 179.25 181.05 2jkv h GLN 446 N 0.30 0.90 -0.72 0.00 4.20 -0.59 -0.72 115.11 118.48 2jkv h GLN 446 Ca 0.08 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 2jkv h GLN 446 Cb -0.03 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 2jkv h GLN 446 CO -0.02 0.79 0.37 0.00 -0.67 0.00 0.00 178.83 179.30 2jkv h ARG 447 N 0.82 1.02 -0.15 1.46 3.08 -0.86 -0.74 114.38 119.02 2jkv h ARG 447 Ca 0.19 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 2jkv h ARG 447 Cb 0.24 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2jkv h ARG 447 CO -0.01 0.79 -0.29 0.22 -1.07 0.00 0.00 179.97 179.61 2jkv h ASP 448 N 1.00 0.28 0.03 7.04 3.58 -0.92 0.52 116.42 127.95 2jkv h ASP 448 Ca 0.25 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 2jkv h ASP 448 Cb 0.08 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2jkv h ASP 448 CO -0.04 0.57 -0.01 0.22 -2.88 0.00 0.00 179.24 177.10 2jkv h TYR 449 N 0.25 -0.03 0.00 0.28 -0.00 -0.31 -1.80 116.97 115.36 2jkv h TYR 449 Ca 0.04 -0.00 -0.18 0.00 -0.00 0.00 0.00 58.73 58.58 2jkv h TYR 449 Cb 0.64 0.01 -0.03 0.00 -0.00 0.00 0.00 36.73 37.35 2jkv h TYR 449 CO 0.01 0.43 -1.64 1.97 -0.00 0.00 0.00 178.16 178.93 2jkv n PHE 450 N -4.88 0.71 -0.17 -3.82 1.16 -0.36 -4.52 117.46 105.58 2jkv n PHE 450 Ca -0.08 0.24 0.00 0.00 -1.87 0.00 0.00 57.45 55.73 2jkv n PHE 450 Cb 0.25 -1.01 0.00 0.00 -1.61 0.00 0.00 39.48 37.11 2jkv n PHE 450 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2jkv n GLY 451 N 1.44 -0.01 3.94 4.97 0.00 0.13 -5.02 105.19 110.65 2jkv n GLY 451 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 2jkv n GLY 451 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkv n ALA 452 N -0.14 -1.40 1.29 4.61 0.00 -0.68 -4.85 120.51 119.35 2jkv n ALA 452 Ca 0.00 0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.68 2jkv n ALA 452 Cb 0.13 -3.91 0.70 0.00 0.00 0.00 0.00 19.45 16.38 2jkv n ALA 452 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2jkv n HIS 453 N -4.58 0.00 -0.64 0.00 8.25 -1.19 -4.92 115.22 112.14 2jkv n HIS 453 Ca -0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.53 2jkv n HIS 453 Cb 0.54 -0.33 -0.04 0.00 1.12 0.00 0.00 29.99 31.29 2jkv n HIS 453 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2jkv n THR 454 N -1.33 -0.28 -3.98 1.59 -2.24 -1.26 -4.94 114.28 101.85 2jkv n THR 454 Ca 0.12 0.35 -0.10 0.00 -2.27 0.00 0.00 64.05 62.16 2jkv n THR 454 Cb 0.25 -0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 67.87 2jkv n THR 454 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2jkv s TYR 455 N -3.22 0.37 0.18 4.78 -0.85 -0.13 -4.73 117.35 113.75 2jkv s TYR 455 Ca 0.00 -0.75 0.10 0.00 -0.52 0.00 0.00 57.07 55.89 2jkv s TYR 455 Cb 0.00 0.27 -0.04 0.00 0.38 0.00 0.00 41.96 42.57 2jkv s TYR 455 CO 0.00 -1.09 -0.17 -1.21 -1.52 0.00 0.00 175.55 171.56 2jkv s GLU 456 N -3.73 1.80 0.20 -3.49 2.02 -1.26 -0.06 118.70 114.17 2jkv s GLU 456 Ca 0.22 -1.36 -0.16 0.00 0.02 0.00 0.00 54.97 53.68 2jkv s GLU 456 Cb -0.02 -2.02 -0.08 0.00 0.10 0.00 0.00 34.13 32.11 2jkv s GLU 456 CO 0.11 0.43 0.65 -0.51 0.02 0.00 0.00 175.26 175.95 2jkv s LEU 457 N -2.67 4.31 0.27 1.80 1.43 -1.26 -4.98 118.68 117.57 2jkv s LEU 457 Ca 0.22 1.24 -0.00 0.00 -1.03 0.00 0.00 54.13 54.56 2jkv s LEU 457 Cb -0.09 -3.51 0.55 0.00 0.03 0.00 0.00 46.19 43.17 2jkv s LEU 457 CO 0.12 0.03 1.77 -0.07 0.23 0.00 0.00 176.35 178.44 2jkv h LEU 458 N 3.32 0.58 -0.56 1.79 3.38 -2.00 -2.19 115.31 119.63 2jkv h LEU 458 Ca -0.48 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2jkv h LEU 458 Cb 1.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2jkv h LEU 458 CO 0.66 0.25 0.00 0.00 0.09 0.00 0.00 178.44 179.43 2jkv n ALA 459 N -2.41 1.77 -3.02 1.53 0.00 -1.26 -4.08 120.51 113.04 2jkv n ALA 459 Ca 0.18 0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.51 2jkv n ALA 459 Cb 0.44 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 2jkv n ALA 459 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2jkv n LYS 460 N -2.23 0.68 -1.84 0.00 2.85 -0.83 -5.13 118.16 111.66 2jkv n LYS 460 Ca 0.03 -2.61 -0.37 0.00 -1.05 0.00 0.00 58.31 54.31 2jkv n LYS 460 Cb 0.26 -1.36 0.05 0.00 -0.65 0.00 0.00 35.03 33.33 2jkv n LYS 460 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 2jkv s PRO 461 N -0.27 2.87 0.00 -1.58 0.02 -1.17 -3.18 135.00 131.69 2jkv s PRO 461 Ca 0.33 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.40 2jkv s PRO 461 Cb 0.17 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.68 2jkv s PRO 461 CO -0.16 -1.34 0.00 0.41 -0.33 0.00 0.00 177.00 175.57 2jkv n GLY 462 N 0.74 3.32 3.54 0.52 0.00 -1.26 -5.02 105.19 107.04 2jkv n GLY 462 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2jkv n GLY 462 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jkv s GLN 463 N -0.69 3.71 -0.02 1.61 0.74 -1.19 -5.07 119.66 118.74 2jkv s GLN 463 Ca 0.00 -0.49 -0.14 0.00 0.05 0.00 0.00 55.36 54.79 2jkv s GLN 463 Cb 0.00 -3.68 -0.05 0.00 1.10 0.00 0.00 33.01 30.37 2jkv s GLN 463 CO 0.00 -0.30 0.37 -0.06 -0.55 0.00 0.00 175.29 174.75 2jkv s PHE 464 N 1.72 3.71 0.02 1.67 0.40 -1.26 -4.37 117.98 119.87 2jkv s PHE 464 Ca 0.06 0.92 0.06 0.00 -0.60 0.00 0.00 56.93 57.38 2jkv s PHE 464 Cb -0.17 -2.24 -0.02 0.00 0.51 0.00 0.00 43.02 41.11 2jkv s PHE 464 CO 0.10 0.66 -0.17 0.42 0.70 0.00 0.00 175.22 176.92 2jkv s ILE 465 N -1.06 1.38 -0.09 0.64 1.01 0.91 -4.87 121.20 119.11 2jkv s ILE 465 Ca 0.22 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.95 2jkv s ILE 465 Cb -0.16 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.11 2jkv s ILE 465 CO 0.12 0.22 -0.17 -2.28 0.00 0.00 0.00 174.94 172.83 2jkv s HIS 466 N -0.65 2.68 -0.07 3.97 5.65 -1.26 -0.96 115.29 124.65 2jkv s HIS 466 Ca 0.05 -0.60 0.00 0.00 0.25 0.00 0.00 55.06 54.77 2jkv s HIS 466 Cb -0.08 -1.73 -0.03 0.00 -1.18 0.00 0.00 32.58 29.57 2jkv s HIS 466 CO 0.01 -0.15 -0.04 0.99 -0.65 0.00 0.00 174.74 174.90 2jkv s THR 467 N -0.01 3.92 -1.35 0.89 2.01 -1.26 -5.03 115.64 114.81 2jkv s THR 467 Ca -0.05 -0.42 -0.14 0.00 0.31 0.00 0.00 61.69 61.38 2jkv s THR 467 Cb -0.14 -2.63 0.09 0.00 0.01 0.00 0.00 72.50 69.82 2jkv s THR 467 CO 0.04 0.58 1.93 -3.20 -0.69 0.00 0.00 174.62 173.29 2jkv n ASN 468 N 2.13 4.56 -0.17 3.53 5.15 -1.26 -4.83 115.26 124.37 2jkv n ASN 468 Ca -0.18 -2.93 -0.02 0.00 -0.60 0.00 0.00 54.58 50.85 2jkv n ASN 468 Cb 0.53 -1.64 0.08 0.00 -0.53 0.00 0.00 39.78 38.21 2jkv n ASN 468 CO 0.00 0.00 0.00 -0.50 1.40 0.00 0.00 177.26 178.16 2jkv h TRP 469 N 6.55 0.28 0.00 1.20 4.06 -1.92 -1.97 115.95 124.15 2jkv h TRP 469 Ca 0.48 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.45 2jkv h TRP 469 Cb 0.73 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 28.85 2jkv h TRP 469 CO 1.37 0.06 0.00 1.79 -3.56 0.00 0.00 178.44 178.11 2jkv h THR 470 N 0.33 0.00 0.00 1.49 1.35 -1.92 -3.47 112.91 110.69 2jkv h THR 470 Ca 0.26 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 2jkv h THR 470 Cb 0.32 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2jkv h THR 470 CO -0.29 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.59 2jkv n GLY 471 N 1.09 1.16 0.00 5.82 0.00 -0.74 -5.33 105.19 107.19 2jkv n GLY 471 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2jkv n GLY 471 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74