#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vka s THR 2 N 0.00 3.07 0.99 0.00 2.01 -1.26 -1.45 115.64 119.00 2vka s THR 2 Ca 0.00 -0.62 -0.17 0.00 0.31 0.00 0.00 61.69 61.21 2vka s THR 2 Cb 0.00 -2.34 0.22 0.00 0.01 0.00 0.00 72.50 70.39 2vka s THR 2 CO 0.00 0.48 1.32 0.00 -0.69 0.00 0.00 174.62 175.73 2vka h ASP 4 N -1.76 0.25 -0.16 0.00 3.32 -1.94 -1.00 116.42 115.13 2vka h ASP 4 Ca -0.44 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2vka h ASP 4 Cb 1.23 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2vka h ASP 4 CO 0.35 0.54 0.00 -0.90 -1.72 0.00 0.00 179.24 177.51 2vka n ASP 5 N -4.13 1.08 0.00 6.45 5.75 -1.26 -4.91 116.55 119.53 2vka n ASP 5 Ca -0.01 -1.80 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 2vka n ASP 5 Cb 0.39 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 2vka n ASP 5 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vka n GLY 6 N 0.92 1.98 3.76 6.12 0.00 -0.38 -5.05 105.19 112.54 2vka n GLY 6 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2vka n GLY 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vka s ARG 7 N -0.40 2.89 0.17 1.61 0.52 -1.26 -4.63 118.95 117.85 2vka s ARG 7 Ca 0.00 1.65 0.11 0.00 -0.52 0.00 0.00 55.73 56.97 2vka s ARG 7 Cb 0.00 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.49 2vka s ARG 7 CO 0.00 -1.23 -0.23 0.95 0.02 0.00 0.00 175.30 174.81 2vka s THR 8 N -1.89 2.43 -0.01 0.02 -4.23 -1.26 0.34 115.64 111.03 2vka s THR 8 Ca 0.73 -1.87 -0.15 0.00 -1.18 0.00 0.00 61.69 59.22 2vka s THR 8 Cb -0.26 -2.14 0.02 0.00 1.34 0.00 0.00 72.50 71.47 2vka s THR 8 CO 0.36 -0.03 0.32 0.28 -0.54 0.00 0.00 174.62 175.00 2vka s THR 9 N -1.43 0.06 0.18 3.99 -1.32 -0.53 -4.93 115.64 111.66 2vka s THR 9 Ca 0.19 -0.47 -0.13 0.00 -1.21 0.00 0.00 61.69 60.07 2vka s THR 9 Cb -0.09 -0.63 0.09 0.00 -1.51 0.00 0.00 72.50 70.36 2vka s THR 9 CO 0.09 -0.26 1.84 0.00 -2.21 0.00 0.00 174.62 174.08 2vka h ALA 10 N 3.83 0.74 -3.25 11.08 0.00 -1.92 0.23 119.26 129.97 2vka h ALA 10 Ca -0.30 -0.03 -0.64 0.00 0.00 0.00 0.00 54.91 53.94 2vka h ALA 10 Cb 1.18 -0.20 -0.23 0.00 0.00 0.00 0.00 17.79 18.53 2vka h ALA 10 CO 0.40 0.13 -0.69 -0.80 0.00 0.00 0.00 179.25 178.29 2vka s ASN 11 N -5.68 4.61 0.38 0.00 0.01 -1.26 -3.86 114.94 109.13 2vka s ASN 11 Ca -0.13 -0.20 0.06 0.00 -0.71 0.00 0.00 52.86 51.87 2vka s ASN 11 Cb 0.13 -1.75 0.76 0.00 0.41 0.00 0.00 41.25 40.80 2vka s ASN 11 CO 0.75 0.13 2.01 0.00 -1.51 0.00 0.00 177.10 178.48 2vka h ALA 12 N 6.96 1.67 -0.24 0.60 0.00 -1.94 -1.46 119.26 124.85 2vka h ALA 12 Ca -0.32 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.63 2vka h ALA 12 Cb 1.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2vka h ALA 12 CO 0.61 0.27 0.32 0.00 0.00 0.00 0.00 179.25 180.44 2vka h ALA 13 N 1.65 1.83 0.00 0.00 0.00 -1.97 -1.77 119.26 119.00 2vka h ALA 13 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2vka h ALA 13 Cb 0.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2vka h ALA 13 CO -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.75 2vka h ILE 16 N 0.19 0.03 0.00 0.00 -0.00 -1.80 -2.47 117.51 113.46 2vka h ILE 16 Ca 0.17 -0.04 0.00 0.00 -0.00 0.00 0.00 64.86 64.99 2vka h ILE 16 Cb 0.42 1.04 0.00 0.00 -0.00 0.00 0.00 36.82 38.28 2vka h ILE 16 CO -0.03 0.00 0.00 -0.07 -0.00 0.00 0.00 178.15 178.05 2vka h LEU 17 N 0.00 0.00 -0.16 0.16 3.38 -1.52 -3.36 115.31 113.82 2vka h LEU 17 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2vka h LEU 17 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2vka h LEU 17 CO 0.00 0.00 -0.19 -0.26 0.09 0.00 0.00 178.44 178.08 2vka h PHE 18 N 0.00 0.50 0.00 1.13 0.04 -1.62 0.24 116.94 117.23 2vka h PHE 18 Ca 0.00 -0.16 -0.02 0.00 2.80 0.00 0.00 57.97 60.59 2vka h PHE 18 Cb 0.65 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.70 2vka h PHE 18 CO 0.00 0.81 -0.09 -1.35 -0.60 0.00 0.00 178.31 177.08 2vka h PRO 19 N 0.04 0.00 -0.06 1.51 0.11 -1.78 -1.49 132.00 130.32 2vka h PRO 19 Ca 0.02 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.05 2vka h PRO 19 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 2vka h PRO 19 CO 0.05 0.09 -0.28 0.82 -0.21 0.00 0.00 178.00 178.47 2vka h ILE 20 N 0.00 1.44 -0.45 4.15 2.04 -1.61 -1.76 117.51 121.33 2vka h ILE 20 Ca -0.00 -1.71 0.09 0.00 1.00 0.00 0.00 64.86 64.24 2vka h ILE 20 Cb 0.18 2.36 -0.10 0.00 -0.74 0.00 0.00 36.82 38.52 2vka h ILE 20 CO 0.01 0.49 -0.24 0.25 0.00 0.00 0.00 178.15 178.66 2vka h LEU 21 N -0.21 -0.81 -0.41 1.44 5.85 -0.33 -0.56 115.31 120.28 2vka h LEU 21 Ca -0.02 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 2vka h LEU 21 Cb 0.94 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 2vka h LEU 21 CO 0.06 -0.26 0.25 0.44 -0.34 0.00 0.00 178.44 178.59 2vka h ASP 22 N -0.15 0.48 -0.09 1.25 3.32 -1.21 -1.53 116.42 118.50 2vka h ASP 22 Ca 0.21 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.24 2vka h ASP 22 Cb 0.48 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2vka h ASP 22 CO -0.54 0.38 -0.05 -0.78 -1.72 0.00 0.00 179.24 176.53 2vka h ASP 23 N 0.54 -0.17 -0.22 6.45 3.58 -0.99 -1.94 116.42 123.66 2vka h ASP 23 Ca 0.15 0.04 -0.13 0.00 0.42 0.00 0.00 57.03 57.51 2vka h ASP 23 Cb -0.02 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2vka h ASP 23 CO -0.03 -0.07 -0.32 0.16 -2.88 0.00 0.00 179.24 176.10 2vka h ILE 24 N -0.05 1.28 -0.29 2.25 3.07 -0.99 0.32 117.51 123.10 2vka h ILE 24 Ca 0.06 -1.46 -0.00 0.00 1.55 0.00 0.00 64.86 65.00 2vka h ILE 24 Cb 0.13 1.37 -0.01 0.00 -0.27 0.00 0.00 36.82 38.04 2vka h ILE 24 CO -0.13 0.48 0.18 1.56 -1.05 0.00 0.00 178.15 179.19 2vka h GLN 25 N 0.62 0.39 -0.15 0.16 1.08 -1.16 0.30 115.11 116.35 2vka h GLN 25 Ca 0.07 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.12 2vka h GLN 25 Cb 0.84 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 2vka h GLN 25 CO 0.07 0.30 -0.34 1.49 -0.95 0.00 0.00 178.83 179.41 2vka h GLU 26 N 0.37 0.50 0.00 1.46 4.81 -1.31 0.15 114.58 120.56 2vka h GLU 26 Ca 0.10 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2vka h GLU 26 Cb 0.01 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2vka h GLU 26 CO -0.02 0.94 -0.42 0.09 -0.73 0.00 0.00 179.01 178.87 2vka n ASN 27 N -4.34 0.63 -0.10 1.04 3.02 0.11 -3.19 115.26 112.43 2vka n ASN 27 Ca -0.07 -0.59 -0.17 0.00 -0.03 0.00 0.00 54.58 53.72 2vka n ASN 27 Cb 0.50 1.03 -0.08 0.00 -0.61 0.00 0.00 39.78 40.62 2vka n ASN 27 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2vka n LEU 28 N -1.22 2.25 -1.71 3.41 7.94 0.31 -4.69 117.00 123.28 2vka n LEU 28 Ca 0.01 0.06 0.08 0.00 -1.11 0.00 0.00 56.01 55.05 2vka n LEU 28 Cb 0.11 -0.63 0.38 0.00 0.53 0.00 0.00 43.42 43.81 2vka n LEU 28 CO 0.14 0.63 0.84 0.49 -1.11 0.00 0.00 177.39 178.39 2vka n PHE 29 N -3.45 1.76 -3.66 1.96 3.72 0.78 -4.82 117.46 113.76 2vka n PHE 29 Ca -0.36 -0.68 -0.22 0.00 -0.05 0.00 0.00 57.45 56.14 2vka n PHE 29 Cb 0.82 -0.38 0.05 0.00 -0.94 0.00 0.00 39.48 39.04 2vka n PHE 29 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2vka n ASP 30 N 0.84 -2.77 -0.87 4.37 2.03 -1.21 -1.77 116.55 117.17 2vka n ASP 30 Ca 0.27 -0.72 -0.01 0.00 0.52 0.00 0.00 54.79 54.85 2vka n ASP 30 Cb 1.04 -4.44 0.00 0.00 -0.72 0.00 0.00 41.12 37.01 2vka n ASP 30 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vka n GLY 31 N -1.54 0.62 3.32 0.27 0.00 0.06 -4.38 105.19 103.53 2vka n GLY 31 Ca -0.19 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.06 2vka n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vka n ALA 32 N -1.67 -1.14 -2.62 4.61 0.00 0.30 -4.96 120.51 115.03 2vka n ALA 32 Ca -0.00 0.35 -0.27 0.00 0.00 0.00 0.00 53.44 53.52 2vka n ALA 32 Cb 0.50 -4.79 -0.02 0.00 0.00 0.00 0.00 19.45 15.13 2vka n ALA 32 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2vka s GLN 33 N -6.06 3.56 -1.14 0.00 -0.21 -0.73 -4.84 119.66 110.25 2vka s GLN 33 Ca 0.47 -0.18 -0.04 0.00 0.02 0.00 0.00 55.36 55.64 2vka s GLN 33 Cb -0.21 -2.69 0.26 0.00 1.00 0.00 0.00 33.01 31.36 2vka s GLN 33 CO 0.59 0.23 1.85 0.00 -2.12 0.00 0.00 175.29 175.84 2vka n GLY 35 N 1.08 4.83 0.26 0.00 0.00 -1.26 -4.56 105.19 105.54 2vka n GLY 35 Ca 0.43 -1.87 -0.01 0.00 0.00 0.00 0.00 46.02 44.57 2vka n GLY 35 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2vka h GLU 36 N 0.00 0.60 -0.52 1.61 4.57 -1.97 -1.80 114.58 117.07 2vka h GLU 36 Ca 0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2vka h GLU 36 Cb 0.00 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 2vka h GLU 36 CO 0.00 0.40 0.27 0.93 -1.18 0.00 0.00 179.01 179.43 2vka h GLU 37 N 0.62 0.74 -0.32 1.92 3.07 -1.93 0.26 114.58 118.94 2vka h GLU 37 Ca 0.31 -0.10 0.03 0.00 -0.50 0.00 0.00 59.36 59.10 2vka h GLU 37 Cb 0.26 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.00 2vka h GLU 37 CO -0.22 0.59 0.13 0.28 -1.40 0.00 0.00 179.01 178.40 2vka h VAL 38 N 0.69 0.95 -0.59 3.13 2.07 -1.75 -1.06 116.25 119.70 2vka h VAL 38 Ca 0.18 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2vka h VAL 38 Cb 0.08 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2vka h VAL 38 CO -0.03 0.05 0.38 0.45 0.02 0.00 0.00 177.57 178.45 2vka h HIS 39 N 0.29 0.74 -0.85 1.57 3.86 -0.42 -0.60 115.15 119.74 2vka h HIS 39 Ca 0.14 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 2vka h HIS 39 Cb 0.08 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.26 2vka h HIS 39 CO -0.12 0.48 0.42 0.93 0.86 0.00 0.00 177.93 180.50 2vka h GLU 40 N 0.79 1.22 -0.13 2.45 5.08 -0.39 -1.03 114.58 122.58 2vka h GLU 40 Ca 0.21 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 2vka h GLU 40 Cb -0.08 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 2vka h GLU 40 CO -0.04 0.93 -0.55 0.77 -1.00 0.00 0.00 179.01 179.11 2vka h SER 41 N 1.21 0.43 -0.23 1.42 0.02 -0.79 -0.56 113.55 115.05 2vka h SER 41 Ca 0.29 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2vka h SER 41 Cb 0.11 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2vka h SER 41 CO -0.04 0.89 -0.04 0.25 -1.14 0.00 0.00 176.83 176.76 2vka h LEU 42 N 0.29 0.43 -0.87 5.07 5.85 -0.79 -2.53 115.31 122.76 2vka h LEU 42 Ca 0.00 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.45 2vka h LEU 42 Cb 1.06 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.91 2vka h LEU 42 CO 0.09 0.68 0.53 -0.09 -0.34 0.00 0.00 178.44 179.31 2vka h ARG 43 N 0.17 0.89 -0.89 1.25 2.43 -1.03 -2.57 114.38 114.63 2vka h ARG 43 Ca 0.06 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 2vka h ARG 43 Cb 0.49 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 2vka h ARG 43 CO 0.02 0.59 0.58 1.25 -1.51 0.00 0.00 179.97 180.90 2vka h LEU 44 N 0.91 0.92 -0.83 3.80 5.85 -0.89 -1.65 115.31 123.43 2vka h LEU 44 Ca 0.41 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.20 2vka h LEU 44 Cb 0.29 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 2vka h LEU 44 CO -0.22 0.61 0.49 0.71 -0.34 0.00 0.00 178.44 179.69 2vka h THR 45 N 1.06 0.96 -0.15 1.05 1.35 -1.03 -0.12 112.91 116.03 2vka h THR 45 Ca 0.37 -0.29 -0.10 0.00 -0.55 0.00 0.00 66.41 65.84 2vka h THR 45 Cb 0.11 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.57 2vka h THR 45 CO -0.12 0.16 -0.28 0.15 -0.25 0.00 0.00 175.52 175.17 2vka h PHE 46 N 0.85 0.57 0.00 4.73 3.57 -1.46 -0.94 116.94 124.26 2vka h PHE 46 Ca 0.38 -0.20 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 2vka h PHE 46 Cb 0.28 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2vka h PHE 46 CO -0.05 0.91 -0.27 0.45 -2.23 0.00 0.00 178.31 177.12 2vka h HIS 47 N 0.06 0.00 0.33 0.41 3.86 -1.08 0.27 115.15 119.00 2vka h HIS 47 Ca 0.01 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 2vka h HIS 47 Cb 0.88 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.35 2vka h HIS 47 CO 0.10 0.27 -0.16 0.22 0.86 0.00 0.00 177.93 179.22 2vka h ASP 48 N 0.00 -0.38 -0.22 2.45 3.58 -1.06 -3.39 116.42 117.41 2vka h ASP 48 Ca -0.00 -0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.29 2vka h ASP 48 Cb 0.63 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.76 2vka h ASP 48 CO 0.04 0.09 -0.04 0.00 -2.88 0.00 0.00 179.24 176.44 2vka h ALA 49 N -0.87 1.30 0.00 -0.78 0.00 -0.79 -2.99 119.26 115.13 2vka h ALA 49 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2vka h ALA 49 Cb 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2vka h ALA 49 CO 0.07 0.47 0.00 1.51 0.00 0.00 0.00 179.25 181.31 2vka n ILE 50 N -4.25 0.77 -1.21 0.00 0.13 0.05 -4.03 119.36 110.83 2vka n ILE 50 Ca 0.01 0.16 -0.38 0.00 -1.10 0.00 0.00 62.75 61.44 2vka n ILE 50 Cb 0.28 -0.94 -0.03 0.00 -0.84 0.00 0.00 39.64 38.11 2vka n ILE 50 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2vka n GLY 51 N 0.34 3.22 3.28 4.50 0.00 -1.13 -4.71 105.19 110.69 2vka n GLY 51 Ca 0.04 -1.27 -0.06 0.00 0.00 0.00 0.00 46.02 44.72 2vka n GLY 51 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2vka s PHE 52 N 4.07 -0.99 -0.16 1.61 5.36 -1.26 -1.90 117.98 124.72 2vka s PHE 52 Ca 0.52 1.61 -0.04 0.00 -0.96 0.00 0.00 56.93 58.06 2vka s PHE 52 Cb 0.14 0.39 0.08 0.00 -0.34 0.00 0.00 43.02 43.29 2vka s PHE 52 CO 0.03 -0.59 0.23 0.45 -1.46 0.00 0.00 175.22 173.87 2vka s SER 53 N 2.69 0.92 0.27 6.13 0.15 -0.68 -4.48 113.70 118.69 2vka s SER 53 Ca 0.02 0.14 -0.02 0.00 0.70 0.00 0.00 55.95 56.80 2vka s SER 53 Cb -0.13 0.47 0.61 0.00 -1.71 0.00 0.00 66.02 65.26 2vka s SER 53 CO -0.15 -0.28 1.63 -0.65 1.20 0.00 0.00 173.24 174.99 2vka h PRO 54 N 8.31 0.14 0.00 5.44 0.11 -1.85 0.30 132.00 144.46 2vka h PRO 54 Ca -0.15 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.74 2vka h PRO 54 Cb 1.13 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 2vka h PRO 54 CO 0.21 0.10 -1.05 0.00 -0.21 0.00 0.00 178.00 177.05 2vka h THR 55 N 0.15 1.53 0.00 -1.15 1.03 -1.96 -3.38 112.91 109.13 2vka h THR 55 Ca 0.50 -3.23 -0.17 0.00 -0.01 0.00 0.00 66.41 63.50 2vka h THR 55 Cb 0.97 2.75 -0.03 0.00 -1.07 0.00 0.00 68.15 70.77 2vka h THR 55 CO -0.69 0.87 -1.98 0.18 -0.01 0.00 0.00 175.52 173.90 2vka n LEU 56 N -3.30 0.00 0.00 0.00 4.77 -1.01 -5.12 117.00 112.34 2vka n LEU 56 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2vka n LEU 56 Cb 0.93 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 42.26 2vka n LEU 56 CO 0.46 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2vka n GLY 57 N 1.79 -0.84 0.00 -0.72 0.00 0.10 -4.86 105.19 100.66 2vka n GLY 57 Ca -0.17 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.77 2vka n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vka n GLY 58 N 0.00 0.17 1.45 -0.02 0.00 -1.26 -1.68 105.19 103.85 2vka n GLY 58 Ca 0.00 -1.40 0.06 0.00 0.00 0.00 0.00 46.02 44.68 2vka n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vka n GLY 59 N 0.97 2.41 7.00 -0.02 0.00 -1.21 -4.49 105.19 109.86 2vka n GLY 59 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2vka n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vka n GLY 60 N 0.69 4.09 3.44 -0.02 0.00 -0.80 -4.11 105.19 108.49 2vka n GLY 60 Ca 0.21 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 2vka n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vka n ALA 61 N 12.57 3.92 -0.59 4.61 0.00 0.54 -3.95 120.51 137.61 2vka n ALA 61 Ca 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.39 2vka n ALA 61 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 19.45 16.12 2vka n ALA 61 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2vka n ASP 62 N 6.79 0.39 0.00 0.00 5.75 -1.26 -4.82 116.55 123.40 2vka n ASP 62 Ca 0.43 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 54.23 2vka n ASP 62 Cb 0.44 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 2vka n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vka n GLY 63 N 0.01 0.65 0.24 6.12 0.00 -1.26 -2.81 105.19 108.14 2vka n GLY 63 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2vka n GLY 63 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2vka h SER 64 N 0.00 0.23 0.27 1.61 4.64 -1.88 0.11 113.55 118.53 2vka h SER 64 Ca 0.00 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 2vka h SER 64 Cb 0.00 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2vka h SER 64 CO 0.00 0.37 -0.13 -0.29 -0.87 0.00 0.00 176.83 175.91 2vka h ILE 65 N 0.23 0.73 0.00 0.95 2.10 -1.89 0.25 117.51 119.87 2vka h ILE 65 Ca 0.05 -0.50 -0.19 0.00 1.08 0.00 0.00 64.86 65.30 2vka h ILE 65 Cb 0.34 1.30 -0.03 0.00 -1.09 0.00 0.00 36.82 37.35 2vka h ILE 65 CO 0.02 0.12 -1.05 0.40 -1.08 0.00 0.00 178.15 176.56 2vka h ILE 66 N 0.00 0.93 -0.89 2.19 2.04 -1.75 -3.22 117.51 116.82 2vka h ILE 66 Ca -0.00 -2.10 0.03 0.00 1.00 0.00 0.00 64.86 63.79 2vka h ILE 66 Cb 0.29 2.16 -0.05 0.00 -0.74 0.00 0.00 36.82 38.48 2vka h ILE 66 CO 0.02 0.32 0.58 0.00 0.00 0.00 0.00 178.15 179.07 2vka h ALA 67 N -0.48 1.44 -1.12 1.87 0.00 -0.91 -2.59 119.26 117.47 2vka h ALA 67 Ca -0.28 -0.04 -0.59 0.00 0.00 0.00 0.00 54.91 53.99 2vka h ALA 67 Cb 1.20 -0.32 -0.41 0.00 0.00 0.00 0.00 17.79 18.27 2vka h ALA 67 CO -0.17 0.48 -0.56 1.19 0.00 0.00 0.00 179.25 180.19 2vka n PHE 68 N -4.44 3.09 -0.01 0.00 3.72 0.85 -4.84 117.46 115.83 2vka n PHE 68 Ca 0.12 -2.67 0.02 0.00 -0.05 0.00 0.00 57.45 54.87 2vka n PHE 68 Cb 0.10 -0.35 0.37 0.00 -0.94 0.00 0.00 39.48 38.66 2vka n PHE 68 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 2vka h ASP 69 N 2.39 0.50 -0.92 4.37 2.03 -1.47 -1.45 116.42 121.88 2vka h ASP 69 Ca 0.37 -0.04 0.16 0.00 -0.73 0.00 0.00 57.03 56.79 2vka h ASP 69 Cb 1.13 -0.13 -0.08 0.00 -0.83 0.00 0.00 39.33 39.43 2vka h ASP 69 CO 0.89 0.43 0.59 0.74 -1.03 0.00 0.00 179.24 180.86 2vka h THR 70 N 0.57 0.80 0.00 1.15 2.02 -1.88 -0.77 112.91 114.80 2vka h THR 70 Ca 0.14 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 2vka h THR 70 Cb 0.06 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.51 2vka h THR 70 CO -0.02 0.13 -0.27 0.40 0.37 0.00 0.00 175.52 176.13 2vka h ILE 71 N 0.69 0.21 -0.18 3.11 1.08 -1.72 -3.38 117.51 117.33 2vka h ILE 71 Ca 0.48 -1.19 -0.12 0.00 -0.39 0.00 0.00 64.86 63.64 2vka h ILE 71 Cb 0.80 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 2vka h ILE 71 CO -0.24 0.07 -0.41 -0.33 -0.69 0.00 0.00 178.15 176.56 2vka h GLU 72 N -1.00 0.41 0.00 2.37 5.08 -1.14 -0.98 114.58 119.32 2vka h GLU 72 Ca -0.02 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2vka h GLU 72 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2vka h GLU 72 CO -0.01 0.75 0.00 0.25 -1.00 0.00 0.00 179.01 179.00 2vka n THR 73 N -4.03 0.35 0.33 1.13 -2.24 -0.31 -2.05 114.28 107.47 2vka n THR 73 Ca -0.02 0.09 0.14 0.00 -2.27 0.00 0.00 64.05 61.99 2vka n THR 73 Cb 0.50 -0.73 0.43 0.00 -2.10 0.00 0.00 70.33 68.43 2vka n THR 73 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2vka h ASN 74 N 0.00 0.00 -3.05 3.42 -0.00 -1.34 -3.45 115.58 111.16 2vka h ASN 74 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 56.30 55.77 2vka h ASN 74 Cb 0.23 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.56 2vka h ASN 74 CO 0.00 0.00 0.68 -0.36 -0.00 0.00 0.00 177.43 177.75 2vka s PHE 75 N -3.37 3.27 0.29 0.67 0.08 -0.87 -4.93 117.98 113.12 2vka s PHE 75 Ca 0.05 1.05 0.04 0.00 0.12 0.00 0.00 56.93 58.19 2vka s PHE 75 Cb 0.08 -3.59 0.67 0.00 -0.57 0.00 0.00 43.02 39.60 2vka s PHE 75 CO 0.58 -2.02 1.80 -1.00 -0.10 0.00 0.00 175.22 174.47 2vka h PRO 76 N 6.91 0.81 0.00 0.24 0.13 -1.89 0.58 132.00 138.79 2vka h PRO 76 Ca -0.41 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2vka h PRO 76 Cb 1.21 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2vka h PRO 76 CO 0.85 0.54 0.00 0.00 -0.23 0.00 0.00 178.00 179.16 2vka h ALA 77 N 1.61 1.00 -0.47 -0.56 0.00 -1.91 -1.91 119.26 117.01 2vka h ALA 77 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 2vka h ALA 77 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2vka h ALA 77 CO -0.34 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.00 2vka n ASN 78 N -2.59 3.54 -4.65 0.00 3.02 0.20 -4.96 115.26 109.81 2vka n ASN 78 Ca -0.01 -2.31 -0.49 0.00 -0.03 0.00 0.00 54.58 51.74 2vka n ASN 78 Cb 0.11 -0.49 -0.05 0.00 -0.61 0.00 0.00 39.78 38.75 2vka n ASN 78 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vka n ALA 79 N 0.75 0.58 0.00 5.41 0.00 -0.72 -1.37 120.51 125.15 2vka n ALA 79 Ca 0.18 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.07 2vka n ALA 79 Cb 0.67 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2vka n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vka n GLY 80 N 3.34 2.26 0.18 0.00 0.00 -1.26 -4.89 105.19 104.82 2vka n GLY 80 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 2vka n GLY 80 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2vka h ILE 81 N 0.00 0.57 -1.01 -0.61 2.10 -1.60 -3.19 117.51 113.76 2vka h ILE 81 Ca 0.00 -1.60 0.24 0.00 1.08 0.00 0.00 64.86 64.58 2vka h ILE 81 Cb 0.00 2.12 -0.11 0.00 -1.09 0.00 0.00 36.82 37.74 2vka h ILE 81 CO 0.00 0.30 0.62 -2.24 -1.08 0.00 0.00 178.15 175.75 2vka h ASP 82 N 0.00 0.62 0.01 2.19 3.04 -1.91 -1.48 116.42 118.88 2vka h ASP 82 Ca -0.00 0.11 0.01 0.00 -3.24 0.00 0.00 57.03 53.91 2vka h ASP 82 Cb 1.10 0.01 -0.02 0.00 -1.04 0.00 0.00 39.33 39.38 2vka h ASP 82 CO 0.04 0.13 -0.09 -0.08 -2.04 0.00 0.00 179.24 177.20 2vka h GLU 83 N 0.55 -0.15 -0.01 4.15 4.81 -1.95 0.98 114.58 122.96 2vka h GLU 83 Ca 0.62 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.69 2vka h GLU 83 Cb 1.26 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 2vka h GLU 83 CO -0.40 -0.10 -0.75 0.97 -0.73 0.00 0.00 179.01 178.00 2vka h ILE 84 N -0.15 1.49 -0.12 2.32 6.09 -1.70 -1.52 117.51 123.92 2vka h ILE 84 Ca 0.03 -2.43 0.01 0.00 -1.37 0.00 0.00 64.86 61.10 2vka h ILE 84 Cb 0.19 2.32 -0.01 0.00 0.47 0.00 0.00 36.82 39.79 2vka h ILE 84 CO -0.08 0.70 0.06 0.58 -3.07 0.00 0.00 178.15 176.34 2vka h VAL 85 N 0.07 1.00 -0.49 2.19 2.07 -1.03 -0.63 116.25 119.43 2vka h VAL 85 Ca -0.02 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.52 2vka h VAL 85 Cb 1.32 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 2vka h VAL 85 CO 0.11 0.02 0.17 -1.28 0.02 0.00 0.00 177.57 176.62 2vka h SER 86 N 0.13 0.17 -0.37 0.57 0.87 -0.67 -1.76 113.55 112.50 2vka h SER 86 Ca 0.05 0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.59 2vka h SER 86 Cb 0.01 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2vka h SER 86 CO -0.03 0.13 -0.04 0.00 -0.53 0.00 0.00 176.83 176.35 2vka h ALA 87 N 1.33 1.07 0.00 6.23 0.00 -1.05 -3.25 119.26 123.59 2vka h ALA 87 Ca 0.24 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 2vka h ALA 87 Cb 0.25 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2vka h ALA 87 CO -0.24 0.58 -0.96 1.96 0.00 0.00 0.00 179.25 180.59 2vka h GLN 88 N 0.71 0.00 -0.86 0.00 4.20 -0.80 -3.39 115.11 114.97 2vka h GLN 88 Ca 0.13 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.86 2vka h GLN 88 Cb 0.50 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.23 2vka h GLN 88 CO 0.03 0.78 0.57 -0.22 -0.67 0.00 0.00 178.83 179.32 2vka h LYS 89 N 0.00 1.11 -0.60 1.46 3.64 -1.36 -1.79 116.57 119.03 2vka h LYS 89 Ca -0.04 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2vka h LYS 89 Cb 1.68 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 33.22 2vka h LYS 89 CO 0.10 0.73 0.36 -1.35 -2.27 0.00 0.00 179.45 177.02 2vka h PRO 90 N 1.14 0.81 -0.29 1.90 0.11 -1.76 -0.14 132.00 133.77 2vka h PRO 90 Ca 0.33 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.37 2vka h PRO 90 Cb -0.08 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.84 2vka h PRO 90 CO -0.09 0.57 0.19 0.74 -0.21 0.00 0.00 178.00 179.21 2vka h PHE 91 N 0.82 0.37 -0.36 0.65 -1.00 -1.56 0.15 116.94 116.00 2vka h PHE 91 Ca 0.22 0.01 0.01 0.00 2.81 0.00 0.00 57.97 61.02 2vka h PHE 91 Cb -0.03 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.38 2vka h PHE 91 CO 0.00 0.24 0.22 0.28 -1.61 0.00 0.00 178.31 177.43 2vka h VAL 92 N 0.40 1.04 -0.73 -0.55 2.07 -1.07 -1.10 116.25 116.31 2vka h VAL 92 Ca 0.11 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 2vka h VAL 92 Cb -0.04 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 2vka h VAL 92 CO -0.02 0.08 0.34 0.00 0.02 0.00 0.00 177.57 177.99 2vka h ALA 93 N 1.16 0.95 -0.53 1.67 0.00 -0.80 -3.18 119.26 118.52 2vka h ALA 93 Ca 0.14 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2vka h ALA 93 Cb -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2vka h ALA 93 CO -0.06 0.53 -0.05 -0.22 0.00 0.00 0.00 179.25 179.44 2vka h LYS 94 N 1.04 0.98 -6.40 0.00 3.64 -0.45 -3.46 116.57 111.92 2vka h LYS 94 Ca 0.25 -0.34 -0.53 0.00 -1.27 0.00 0.00 60.65 58.77 2vka h LYS 94 Cb 0.14 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2vka h LYS 94 CO -0.03 1.01 -0.16 -1.01 -2.27 0.00 0.00 179.45 176.99 2vka s HIS 95 N -4.93 1.40 -0.55 1.91 3.76 -0.44 -5.05 115.29 111.41 2vka s HIS 95 Ca -0.12 -0.79 0.06 0.00 -0.15 0.00 0.00 55.06 54.06 2vka s HIS 95 Cb 0.12 -2.09 0.35 0.00 1.11 0.00 0.00 32.58 32.07 2vka s HIS 95 CO 0.85 -0.95 0.94 0.27 -0.85 0.00 0.00 174.74 175.00 2vka n ASN 96 N -2.10 4.14 -4.31 1.40 6.94 -1.26 -4.87 115.26 115.21 2vka n ASN 96 Ca 0.10 -3.62 -0.21 0.00 -0.02 0.00 0.00 54.58 50.83 2vka n ASN 96 Cb 0.63 -0.56 -0.11 0.00 -2.36 0.00 0.00 39.78 37.38 2vka n ASN 96 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 2vka s ILE 97 N -4.37 1.68 0.76 1.53 -4.36 -1.26 -5.13 121.20 110.05 2vka s ILE 97 Ca 0.48 -1.85 -0.12 0.00 -0.26 0.00 0.00 60.65 58.89 2vka s ILE 97 Cb 0.30 -1.75 0.06 0.00 1.25 0.00 0.00 42.46 42.31 2vka s ILE 97 CO -0.14 -0.33 1.12 -0.94 0.24 0.00 0.00 174.94 174.89 2vka s SER 98 N -2.59 4.33 0.29 4.36 1.04 -1.26 -4.80 113.70 115.07 2vka s SER 98 Ca 0.14 2.02 -0.01 0.00 0.48 0.00 0.00 55.95 58.57 2vka s SER 98 Cb -0.06 -2.55 0.47 0.00 0.10 0.00 0.00 66.02 63.99 2vka s SER 98 CO 0.06 -2.16 1.93 0.00 0.98 0.00 0.00 173.24 174.04 2vka h ALA 99 N -0.83 1.45 -0.45 5.32 0.00 -1.91 0.03 119.26 122.88 2vka h ALA 99 Ca -0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2vka h ALA 99 Cb 1.25 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2vka h ALA 99 CO 0.50 0.44 0.21 0.78 0.00 0.00 0.00 179.25 181.18 2vka h GLY 100 N 1.10 0.70 0.97 0.00 0.00 -1.84 -1.40 103.07 102.60 2vka h GLY 100 Ca 0.37 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2vka h GLY 100 CO -0.12 0.34 0.23 -0.55 0.00 0.00 0.00 176.54 176.44 2vka h ASP 101 N 0.58 0.60 -0.22 0.19 3.32 -1.78 -3.12 116.42 116.01 2vka h ASP 101 Ca 0.15 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2vka h ASP 101 Cb 0.13 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2vka h ASP 101 CO -0.02 0.56 0.12 0.15 -1.72 0.00 0.00 179.24 178.32 2vka h PHE 102 N 0.61 0.31 -0.23 4.55 3.57 -0.72 0.26 116.94 125.29 2vka h PHE 102 Ca 0.16 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.69 2vka h PHE 102 Cb 0.11 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 2vka h PHE 102 CO -0.01 0.29 -0.06 0.82 -2.23 0.00 0.00 178.31 177.12 2vka h ILE 103 N 0.24 0.77 -0.53 1.41 2.04 -1.30 0.53 117.51 120.67 2vka h ILE 103 Ca 0.08 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.86 2vka h ILE 103 Cb 0.09 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2vka h ILE 103 CO -0.01 0.00 0.04 1.56 0.00 0.00 0.00 178.15 179.74 2vka h GLN 104 N -0.00 0.91 -0.04 2.37 1.08 -1.46 -0.83 115.11 117.15 2vka h GLN 104 Ca 0.11 -0.27 -0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2vka h GLN 104 Cb 0.17 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2vka h GLN 104 CO -0.23 0.91 0.02 0.35 -0.95 0.00 0.00 178.83 178.93 2vka h PHE 105 N 0.79 0.05 -0.84 2.96 3.57 -0.61 -1.22 116.94 121.64 2vka h PHE 105 Ca 0.16 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.66 2vka h PHE 105 Cb 0.47 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 2vka h PHE 105 CO 0.03 0.14 0.56 0.00 -2.23 0.00 0.00 178.31 176.81 2vka h ALA 106 N 0.91 1.06 -0.56 2.41 0.00 0.11 -0.02 119.26 123.17 2vka h ALA 106 Ca 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2vka h ALA 106 Cb 0.11 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2vka h ALA 106 CO -0.00 0.47 0.29 0.78 0.00 0.00 0.00 179.25 180.79 2vka h GLY 107 N 1.14 0.85 0.80 0.00 0.00 -0.94 0.11 103.07 105.02 2vka h GLY 107 Ca 0.31 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 2vka h GLY 107 CO -0.07 0.38 -0.04 0.00 0.00 0.00 0.00 176.54 176.81 2vka h ALA 108 N 1.13 0.26 -0.41 3.60 0.00 -0.96 -1.66 119.26 121.22 2vka h ALA 108 Ca 0.20 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2vka h ALA 108 Cb 0.07 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2vka h ALA 108 CO -0.03 0.03 0.12 0.28 0.00 0.00 0.00 179.25 179.65 2vka h VAL 109 N 0.09 0.84 -0.05 0.00 2.07 -0.94 -2.41 116.25 115.84 2vka h VAL 109 Ca 0.05 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.51 2vka h VAL 109 Cb 0.48 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 2vka h VAL 109 CO 0.02 0.05 -0.17 1.23 0.02 0.00 0.00 177.57 178.72 2vka h GLY 110 N 0.27 -0.17 0.94 2.17 0.00 -0.78 -2.34 103.07 103.15 2vka h GLY 110 Ca 0.20 0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.80 2vka h GLY 110 CO -0.22 -0.16 0.51 -2.08 0.00 0.00 0.00 176.54 174.59 2vka h VAL 111 N -0.25 1.01 0.00 4.60 2.07 -1.26 -1.68 116.25 120.73 2vka h VAL 111 Ca 0.07 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 2vka h VAL 111 Cb 0.34 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2vka h VAL 111 CO -0.20 0.15 -0.00 0.77 0.02 0.00 0.00 177.57 178.31 2vka h SER 112 N 0.80 0.00 0.63 0.57 4.64 -0.89 -1.47 113.55 117.82 2vka h SER 112 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2vka h SER 112 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2vka h SER 112 CO -0.12 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.43 2vka n ASN 113 N -3.18 0.00 -4.56 4.97 3.02 -0.63 -3.73 115.26 111.15 2vka n ASN 113 Ca -0.03 0.01 -0.36 0.00 -0.03 0.00 0.00 54.58 54.17 2vka n ASN 113 Cb 0.07 -0.33 -0.11 0.00 -0.61 0.00 0.00 39.78 38.80 2vka n ASN 113 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vka n PRO 115 N 4.48 2.10 -0.01 0.00 -0.02 -1.26 -0.24 135.00 140.05 2vka n PRO 115 Ca -0.16 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2vka n PRO 115 Cb 0.52 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2vka n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vka n GLY 116 N 0.92 2.24 3.64 -1.23 0.00 -0.39 -0.75 105.19 109.61 2vka n GLY 116 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2vka n GLY 116 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vka s GLY 117 N -2.00 1.62 0.22 -0.02 0.00 0.67 -4.82 107.32 102.99 2vka s GLY 117 Ca 0.00 -1.06 0.06 0.00 0.00 0.00 0.00 44.72 43.72 2vka s GLY 117 CO 0.00 -0.16 -0.08 -1.34 0.00 0.00 0.00 173.10 171.52 2vka s VAL 118 N -3.15 1.46 -0.56 1.40 -7.23 -1.26 -4.73 120.40 106.32 2vka s VAL 118 Ca 0.72 -2.12 -0.22 0.00 -1.81 0.00 0.00 61.98 58.55 2vka s VAL 118 Cb -0.08 -2.20 0.06 0.00 0.56 0.00 0.00 36.38 34.72 2vka s VAL 118 CO 0.55 -0.47 0.84 -0.13 -0.31 0.00 0.00 175.10 175.58 2vka s ARG 119 N -3.74 3.21 0.06 4.82 0.52 -1.26 -3.96 118.95 118.60 2vka s ARG 119 Ca 0.25 -0.62 -0.31 0.00 -0.52 0.00 0.00 55.73 54.53 2vka s ARG 119 Cb 0.03 -4.11 -0.08 0.00 0.52 0.00 0.00 34.95 31.31 2vka s ARG 119 CO 0.08 -1.48 1.56 0.42 0.02 0.00 0.00 175.30 175.90 2vka s ILE 120 N 3.52 3.22 0.17 1.52 1.01 -1.26 -4.95 121.20 124.42 2vka s ILE 120 Ca 0.23 0.68 -0.33 0.00 0.00 0.00 0.00 60.65 61.23 2vka s ILE 120 Cb -0.16 -3.44 -0.16 0.00 0.01 0.00 0.00 42.46 38.72 2vka s ILE 120 CO 0.15 0.00 1.20 -2.65 0.00 0.00 0.00 174.94 173.64 2vka n PRO 121 N 5.39 1.21 -4.22 2.79 -0.02 -1.26 -4.93 135.00 133.95 2vka n PRO 121 Ca 0.15 0.43 -0.24 0.00 -2.02 0.00 0.00 63.50 61.82 2vka n PRO 121 Cb 0.41 -1.96 -0.17 0.00 -0.02 0.00 0.00 33.50 31.77 2vka n PRO 121 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2vka s PHE 122 N -0.10 1.18 -0.07 6.00 5.36 -1.26 -4.71 117.98 124.37 2vka s PHE 122 Ca 0.74 -0.45 0.04 0.00 -0.96 0.00 0.00 56.93 56.29 2vka s PHE 122 Cb -0.85 -0.96 -0.02 0.00 -0.34 0.00 0.00 43.02 40.85 2vka s PHE 122 CO 0.51 -0.31 -0.18 -0.06 -1.46 0.00 0.00 175.22 173.72 2vka s PHE 123 N 1.11 2.63 -0.13 10.12 0.40 -1.26 -0.04 117.98 130.82 2vka s PHE 123 Ca -0.07 -0.51 -0.06 0.00 -0.60 0.00 0.00 56.93 55.69 2vka s PHE 123 Cb -0.14 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.67 2vka s PHE 123 CO -0.01 -0.08 0.10 -1.17 0.70 0.00 0.00 175.22 174.76 2vka s LEU 124 N -0.21 4.13 0.00 -0.37 2.96 0.96 -4.76 118.68 121.38 2vka s LEU 124 Ca -0.01 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 2vka s LEU 124 Cb -0.13 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.55 2vka s LEU 124 CO 0.03 0.36 0.00 0.61 -1.32 0.00 0.00 176.35 176.03 2vka n GLY 125 N 2.31 0.60 3.73 7.98 0.00 -1.26 -0.61 105.19 117.93 2vka n GLY 125 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2vka n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vka n ARG 126 N 0.00 2.67 -1.58 1.61 1.74 -1.26 -4.96 116.66 114.88 2vka n ARG 126 Ca 0.00 0.96 -0.32 0.00 -0.77 0.00 0.00 57.85 57.72 2vka n ARG 126 Cb 0.00 -2.76 0.06 0.00 -1.02 0.00 0.00 32.46 28.74 2vka n ARG 126 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2vka s PRO 127 N 0.23 2.66 0.30 5.56 0.04 -1.26 -4.60 135.00 137.93 2vka s PRO 127 Ca 0.69 1.25 -0.28 0.00 0.04 0.00 0.00 61.00 62.71 2vka s PRO 127 Cb -0.52 -1.94 -0.14 0.00 0.04 0.00 0.00 34.50 31.95 2vka s PRO 127 CO 0.42 -1.34 1.04 -0.25 0.04 0.00 0.00 177.00 176.90 2vka n ASP 128 N -2.86 1.46 -4.67 6.66 8.00 -1.26 -4.81 116.55 119.07 2vka n ASP 128 Ca 0.09 1.17 -0.39 0.00 0.71 0.00 0.00 54.79 56.38 2vka n ASP 128 Cb 0.53 -1.31 0.03 0.00 -0.02 0.00 0.00 41.12 40.35 2vka n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vka n ALA 129 N 0.19 0.86 -0.03 2.24 0.00 -1.12 -4.95 120.51 117.70 2vka n ALA 129 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2vka n ALA 129 Cb 0.33 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.56 2vka n ALA 129 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2vka n VAL 130 N -0.97 0.00 -3.69 0.00 0.24 -1.26 -5.03 118.33 107.62 2vka n VAL 130 Ca 0.10 -0.48 -0.14 0.00 -2.04 0.00 0.00 64.34 61.78 2vka n VAL 130 Cb 0.43 1.03 -0.08 0.00 -1.47 0.00 0.00 33.84 33.75 2vka n VAL 130 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2vka s ALA 131 N -0.20 -1.12 0.52 2.33 0.00 -1.26 -5.15 121.76 116.88 2vka s ALA 131 Ca 0.00 0.86 -0.19 0.00 0.00 0.00 0.00 51.96 52.63 2vka s ALA 131 Cb 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 23.12 22.85 2vka s ALA 131 CO 0.00 -0.27 1.08 0.00 0.00 0.00 0.00 175.76 176.57 2vka s ALA 132 N -0.80 2.77 0.36 0.00 0.00 -1.26 -4.67 121.76 118.16 2vka s ALA 132 Ca -0.09 0.68 -0.28 0.00 0.00 0.00 0.00 51.96 52.27 2vka s ALA 132 Cb -0.03 -3.30 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 2vka s ALA 132 CO 0.04 -0.58 1.49 0.45 0.00 0.00 0.00 175.76 177.16 2vka n SER 133 N -1.23 3.68 -4.52 0.00 2.88 -1.26 -4.51 113.62 108.66 2vka n SER 133 Ca 0.10 1.21 -0.34 0.00 -1.33 0.00 0.00 58.87 58.51 2vka n SER 133 Cb 0.52 -1.60 0.10 0.00 -0.75 0.00 0.00 64.21 62.48 2vka n SER 133 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2vka n PRO 134 N 0.79 0.09 -1.60 -1.46 -0.02 -1.26 -4.95 135.00 126.59 2vka n PRO 134 Ca 0.03 0.09 -0.32 0.00 -2.02 0.00 0.00 63.50 61.28 2vka n PRO 134 Cb 0.38 -2.02 0.06 0.00 -0.02 0.00 0.00 33.50 31.90 2vka n PRO 134 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2vka s ASP 135 N -1.82 5.09 -1.05 2.55 2.15 -1.26 -4.33 116.67 117.99 2vka s ASP 135 Ca 0.65 1.83 -0.03 0.00 0.43 0.00 0.00 52.55 55.43 2vka s ASP 135 Cb -0.29 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.81 2vka s ASP 135 CO 0.59 -1.64 0.35 1.57 -0.17 0.00 0.00 175.17 175.86 2vka n HIS 136 N -2.86 -1.21 0.55 -5.34 -0.00 -1.26 -4.91 115.22 100.19 2vka n HIS 136 Ca 0.09 0.30 0.06 0.00 0.46 0.00 0.00 57.72 58.63 2vka n HIS 136 Cb 0.53 -3.28 0.04 0.00 -0.12 0.00 0.00 29.99 27.16 2vka n HIS 136 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2vka n LEU 137 N -2.64 1.91 -4.46 0.27 4.77 -1.26 -4.97 117.00 110.62 2vka n LEU 137 Ca -0.09 -0.94 -0.36 0.00 -0.03 0.00 0.00 56.01 54.59 2vka n LEU 137 Cb 0.59 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.55 2vka n LEU 137 CO 0.30 0.36 -0.28 -0.69 -1.33 0.00 0.00 177.39 175.74 2vka s VAL 138 N -1.22 4.31 0.60 4.08 1.01 -1.26 -4.74 120.40 123.17 2vka s VAL 138 Ca 0.14 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 2vka s VAL 138 Cb 0.11 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2vka s VAL 138 CO 0.20 0.36 1.13 -2.65 0.00 0.00 0.00 175.10 174.14 2vka n PRO 139 N 4.76 1.12 -4.33 2.72 -0.02 -1.26 -4.89 135.00 133.11 2vka n PRO 139 Ca -0.16 0.43 -0.26 0.00 -2.02 0.00 0.00 63.50 61.49 2vka n PRO 139 Cb 0.51 -2.34 -0.13 0.00 -0.02 0.00 0.00 33.50 31.53 2vka n PRO 139 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2vka s GLU 140 N -2.92 1.24 0.00 -0.52 2.56 -1.26 -5.00 118.70 112.80 2vka s GLU 140 Ca 0.76 -1.25 0.12 0.00 0.00 0.00 0.00 54.97 54.61 2vka s GLU 140 Cb -0.41 -1.60 0.54 0.00 2.00 0.00 0.00 34.13 34.66 2vka s GLU 140 CO 0.46 0.37 1.39 -0.35 -0.56 0.00 0.00 175.26 176.57 2vka n PRO 141 N 0.98 0.02 -0.28 4.30 -0.04 -1.26 -1.57 135.00 137.15 2vka n PRO 141 Ca -0.19 0.28 0.10 0.00 -0.04 0.00 0.00 63.50 63.65 2vka n PRO 141 Cb 0.53 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.75 2vka n PRO 141 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2vka n PHE 142 N -1.48 0.73 -2.89 0.54 1.16 -1.26 -1.46 117.46 112.80 2vka n PHE 142 Ca 0.03 -0.45 -0.34 0.00 -1.87 0.00 0.00 57.45 54.83 2vka n PHE 142 Cb 0.14 -0.01 -0.07 0.00 -1.61 0.00 0.00 39.48 37.94 2vka n PHE 142 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2vka s ASP 143 N -1.07 6.97 0.85 5.98 1.01 -0.61 -4.95 116.67 124.86 2vka s ASP 143 Ca 0.39 1.62 -0.11 0.00 0.71 0.00 0.00 52.55 55.16 2vka s ASP 143 Cb 0.21 -2.51 0.10 0.00 1.01 0.00 0.00 42.92 41.73 2vka s ASP 143 CO 0.28 -0.27 1.10 -0.94 0.21 0.00 0.00 175.17 175.55 2vka s SER 144 N -2.09 3.78 0.16 0.27 1.04 -1.26 -4.67 113.70 110.94 2vka s SER 144 Ca 0.58 1.85 -0.16 0.00 0.48 0.00 0.00 55.95 58.69 2vka s SER 144 Cb -0.11 -2.46 0.10 0.00 0.10 0.00 0.00 66.02 63.65 2vka s SER 144 CO 0.16 -2.50 1.68 0.58 0.98 0.00 0.00 173.24 174.14 2vka h VAL 145 N -1.45 0.66 -0.61 5.02 2.07 -1.95 -1.49 116.25 118.50 2vka h VAL 145 Ca -0.45 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.14 2vka h VAL 145 Cb 1.25 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 2vka h VAL 145 CO 0.49 0.01 0.25 0.44 0.02 0.00 0.00 177.57 178.78 2vka h ASP 146 N 0.05 0.28 -0.45 0.57 3.32 -1.99 0.17 116.42 118.37 2vka h ASP 146 Ca 0.19 0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 2vka h ASP 146 Cb 0.28 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2vka h ASP 146 CO -0.36 0.17 -0.03 -1.28 -1.72 0.00 0.00 179.24 176.02 2vka h SER 147 N 0.45 0.80 -0.30 6.45 0.87 -1.86 -1.03 113.55 118.93 2vka h SER 147 Ca 0.30 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2vka h SER 147 Cb 0.34 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2vka h SER 147 CO -0.28 0.93 0.15 0.40 -0.53 0.00 0.00 176.83 177.50 2vka h ILE 148 N 0.65 1.14 -0.34 2.23 2.04 -0.77 -1.23 117.51 121.24 2vka h ILE 148 Ca 0.12 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 2vka h ILE 148 Cb 0.54 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2vka h ILE 148 CO 0.03 0.14 -0.07 -0.07 0.00 0.00 0.00 178.15 178.18 2vka h LEU 149 N 0.35 0.53 -0.18 1.44 3.38 -0.62 0.18 115.31 120.40 2vka h LEU 149 Ca 0.10 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2vka h LEU 149 Cb 0.09 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2vka h LEU 149 CO -0.01 0.65 -0.18 0.00 0.09 0.00 0.00 178.44 178.99 2vka h ALA 150 N 1.41 0.26 0.45 1.53 0.00 -1.01 0.27 119.26 122.16 2vka h ALA 150 Ca 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2vka h ALA 150 Cb 0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2vka h ALA 150 CO 0.02 0.18 -0.27 -0.09 0.00 0.00 0.00 179.25 179.09 2vka h ARG 151 N 0.09 -0.66 -0.75 0.00 9.65 -1.01 0.35 114.38 122.05 2vka h ARG 151 Ca 0.03 0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.99 2vka h ARG 151 Cb 0.72 0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 29.40 2vka h ARG 151 CO 0.04 -0.44 0.47 0.52 2.80 0.00 0.00 179.97 183.37 2vka h MET 152 N -0.68 0.89 -0.81 0.20 2.86 -0.97 -2.33 114.93 114.09 2vka h MET 152 Ca -0.05 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 2vka h MET 152 Cb 0.56 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 31.96 2vka h MET 152 CO 0.05 0.59 0.51 0.78 1.06 0.00 0.00 176.91 179.90 2vka h GLY 153 N 0.91 1.18 1.43 8.32 0.00 -0.27 -0.46 103.07 114.19 2vka h GLY 153 Ca 0.31 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2vka h GLY 153 CO -0.12 0.29 0.36 -1.80 0.00 0.00 0.00 176.54 175.27 2vka h ASP 154 N 0.96 0.66 0.72 0.19 3.58 -0.41 -1.58 116.42 120.55 2vka h ASP 154 Ca 0.33 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.76 2vka h ASP 154 Cb 0.08 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.96 2vka h ASP 154 CO -0.14 0.50 -0.08 0.00 -2.88 0.00 0.00 179.24 176.64 2vka n ALA 155 N -2.45 2.59 0.00 -0.78 0.00 -0.89 -4.53 120.51 114.44 2vka n ALA 155 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2vka n ALA 155 Cb 0.06 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2vka n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vka n GLY 156 N 1.40 1.34 3.55 0.00 0.00 -0.59 -5.05 105.19 105.84 2vka n GLY 156 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2vka n GLY 156 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vka s PHE 157 N -2.00 3.18 0.87 1.61 0.40 -0.24 -4.96 117.98 116.84 2vka s PHE 157 Ca 0.00 -0.10 -0.11 0.00 -0.60 0.00 0.00 56.93 56.13 2vka s PHE 157 Cb 0.00 -2.26 0.12 0.00 0.51 0.00 0.00 43.02 41.39 2vka s PHE 157 CO 0.00 -0.16 1.11 -1.54 0.70 0.00 0.00 175.22 175.33 2vka s SER 158 N 1.39 3.48 0.29 1.36 1.04 -1.26 -2.75 113.70 117.25 2vka s SER 158 Ca 0.06 1.93 0.03 0.00 0.48 0.00 0.00 55.95 58.45 2vka s SER 158 Cb -0.15 -2.49 0.66 0.00 0.10 0.00 0.00 66.02 64.14 2vka s SER 158 CO 0.06 -2.71 1.78 -0.65 0.98 0.00 0.00 173.24 172.70 2vka h PRO 159 N -1.59 0.75 -0.51 4.02 0.11 -1.94 -1.70 132.00 131.14 2vka h PRO 159 Ca -0.45 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2vka h PRO 159 Cb 1.26 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2vka h PRO 159 CO 0.47 0.49 0.09 -0.39 -0.21 0.00 0.00 178.00 178.45 2vka h VAL 160 N 0.77 1.23 0.00 3.15 -1.51 -1.92 -2.64 116.25 115.33 2vka h VAL 160 Ca 0.54 -0.86 -0.08 0.00 -1.23 0.00 0.00 66.70 65.06 2vka h VAL 160 Cb 0.77 0.74 -0.01 0.00 -2.13 0.00 0.00 31.29 30.67 2vka h VAL 160 CO -0.36 0.31 -0.39 -0.33 -1.23 0.00 0.00 177.57 175.57 2vka h GLU 161 N 0.77 0.00 -0.31 5.19 5.08 -1.68 -0.74 114.58 122.88 2vka h GLU 161 Ca 0.16 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2vka h GLU 161 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2vka h GLU 161 CO 0.00 0.39 0.10 0.28 -1.00 0.00 0.00 179.01 178.78 2vka h VAL 162 N 0.00 1.20 -0.47 3.13 2.07 -1.11 -1.20 116.25 119.87 2vka h VAL 162 Ca -0.00 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.87 2vka h VAL 162 Cb 0.81 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2vka h VAL 162 CO 0.05 0.22 0.28 0.58 0.02 0.00 0.00 177.57 178.73 2vka h VAL 163 N 0.35 1.06 -0.34 2.57 2.07 -1.06 -2.17 116.25 118.72 2vka h VAL 163 Ca 0.10 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.48 2vka h VAL 163 Cb 0.25 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 2vka h VAL 163 CO -0.00 0.10 0.04 -0.50 0.02 0.00 0.00 177.57 177.23 2vka h TRP 164 N 0.57 0.06 -0.37 1.57 6.55 -1.00 -2.66 115.95 120.67 2vka h TRP 164 Ca 0.18 0.02 -0.02 0.00 0.95 0.00 0.00 58.89 60.02 2vka h TRP 164 Cb 0.00 0.02 -0.02 0.00 -0.86 0.00 0.00 29.16 28.31 2vka h TRP 164 CO -0.06 -0.01 0.14 -0.07 -1.05 0.00 0.00 178.44 177.38 2vka h LEU 165 N 0.15 0.48 0.00 -4.49 3.38 -1.06 -2.56 115.31 111.21 2vka h LEU 165 Ca 0.16 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2vka h LEU 165 Cb 0.20 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2vka h LEU 165 CO -0.24 0.45 0.00 0.18 0.09 0.00 0.00 178.44 178.92 2vka n LEU 166 N -4.38 0.00 0.13 1.67 4.77 -0.83 -1.85 117.00 116.51 2vka n LEU 166 Ca 0.02 0.30 0.19 0.00 -0.03 0.00 0.00 56.01 56.50 2vka n LEU 166 Cb 0.15 -0.30 0.77 0.00 -2.33 0.00 0.00 43.42 41.70 2vka n LEU 166 CO 0.37 -0.16 1.17 0.00 -1.33 0.00 0.00 177.39 177.44 2vka h ALA 167 N 2.65 1.99 -0.95 -1.18 0.00 -1.44 -0.92 119.26 119.42 2vka h ALA 167 Ca 0.00 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.15 2vka h ALA 167 Cb 0.14 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 2vka h ALA 167 CO 0.00 -0.57 0.65 0.66 0.00 0.00 0.00 179.25 180.00 2vka h SER 168 N 0.00 0.20 0.59 0.00 4.64 -1.61 -0.90 113.55 116.47 2vka h SER 168 Ca 0.16 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2vka h SER 168 Cb 0.95 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2vka h SER 168 CO -0.00 0.06 0.00 1.41 -0.87 0.00 0.00 176.83 177.43 2vka n HIS 169 N -4.39 0.00 0.30 4.77 -0.00 -0.35 -1.62 115.22 113.92 2vka n HIS 169 Ca 0.21 0.00 0.18 0.00 -0.00 0.00 0.00 57.72 58.11 2vka n HIS 169 Cb 0.90 -0.48 0.88 0.00 -0.00 0.00 0.00 29.99 31.28 2vka n HIS 169 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2vka h SER 170 N 0.00 0.00 -2.06 0.41 0.87 -1.33 -3.33 113.55 108.11 2vka h SER 170 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 2vka h SER 170 Cb 0.29 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 61.85 2vka h SER 170 CO 0.00 0.00 -0.99 2.30 -0.53 0.00 0.00 176.83 177.61 2vka n ILE 171 N -2.83 0.22 -3.57 2.23 -5.35 -0.64 -4.20 119.36 105.22 2vka n ILE 171 Ca -0.01 -4.43 -0.16 0.00 -0.27 0.00 0.00 62.75 57.88 2vka n ILE 171 Cb 0.14 -1.72 -0.06 0.00 -1.74 0.00 0.00 39.64 36.26 2vka n ILE 171 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2vka s ALA 172 N -1.75 -1.78 0.15 -1.28 0.00 -1.25 -4.64 121.76 111.19 2vka s ALA 172 Ca 0.37 1.66 -0.01 0.00 0.00 0.00 0.00 51.96 53.98 2vka s ALA 172 Cb 0.20 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2vka s ALA 172 CO -0.09 -0.35 0.08 0.00 0.00 0.00 0.00 175.76 175.40 2vka s ALA 173 N -0.44 0.91 -0.08 0.00 0.00 -1.26 -1.24 121.76 119.65 2vka s ALA 173 Ca -0.05 -1.51 0.03 0.00 0.00 0.00 0.00 51.96 50.42 2vka s ALA 173 Cb -0.02 0.97 -0.02 0.00 0.00 0.00 0.00 23.12 24.05 2vka s ALA 173 CO 0.05 -0.51 -0.15 0.00 0.00 0.00 0.00 175.76 175.15 2vka s ALA 174 N -4.07 2.61 -0.10 0.00 0.00 -0.47 -4.91 121.76 114.82 2vka s ALA 174 Ca 0.27 -0.96 0.09 0.00 0.00 0.00 0.00 51.96 51.36 2vka s ALA 174 Cb 0.07 -1.02 -0.12 0.00 0.00 0.00 0.00 23.12 22.05 2vka s ALA 174 CO 0.04 0.44 0.04 -0.25 0.00 0.00 0.00 175.76 176.03 2vka n ASP 175 N 2.76 2.56 -0.05 0.00 8.00 -1.26 -1.17 116.55 127.38 2vka n ASP 175 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 2vka n ASP 175 Cb 0.52 0.75 -0.15 0.00 -0.02 0.00 0.00 41.12 42.22 2vka n ASP 175 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2vka n LYS 176 N -2.36 0.76 -0.05 -1.24 4.76 -1.26 -3.77 118.16 115.00 2vka n LYS 176 Ca -0.16 -0.10 -0.08 0.00 -2.87 0.00 0.00 58.31 55.10 2vka n LYS 176 Cb 0.82 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.50 2vka n LYS 176 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2vka h VAL 177 N 0.00 0.92 -3.00 -0.18 2.07 -1.94 -3.34 116.25 110.78 2vka h VAL 177 Ca -0.27 -0.06 -0.59 0.00 0.82 0.00 0.00 66.70 66.61 2vka h VAL 177 Cb 1.58 0.74 -0.40 0.00 -1.52 0.00 0.00 31.29 31.69 2vka h VAL 177 CO 0.01 0.03 -0.76 -0.62 0.02 0.00 0.00 177.57 176.25 2vka s ASP 178 N -5.30 3.74 0.00 0.57 -1.08 -1.26 -4.70 116.67 108.64 2vka s ASP 178 Ca -0.13 -2.04 0.09 0.00 -0.52 0.00 0.00 52.55 49.95 2vka s ASP 178 Cb 0.10 -0.84 0.44 0.00 -1.46 0.00 0.00 42.92 41.16 2vka s ASP 178 CO 0.69 -0.35 1.24 -0.81 0.52 0.00 0.00 175.17 176.46 2vka n PRO 179 N 4.30 0.07 0.23 4.34 -0.04 -1.25 -1.71 135.00 140.95 2vka n PRO 179 Ca 0.03 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 2vka n PRO 179 Cb 0.39 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.72 2vka n PRO 179 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2vka h SER 180 N 0.00 0.00 -1.87 3.54 4.64 -1.95 -3.36 113.55 114.55 2vka h SER 180 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 2vka h SER 180 Cb 0.12 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.81 2vka h SER 180 CO 0.00 0.07 -0.96 2.30 -0.87 0.00 0.00 176.83 177.37 2vka n ILE 181 N -3.14 1.37 -1.81 0.95 -5.35 -0.69 -5.06 119.36 105.63 2vka n ILE 181 Ca 0.02 -4.70 -0.36 0.00 -0.27 0.00 0.00 62.75 57.45 2vka n ILE 181 Cb 0.46 -0.60 0.06 0.00 -1.74 0.00 0.00 39.64 37.81 2vka n ILE 181 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2vka s PRO 182 N -3.02 2.68 -0.12 6.28 0.04 -1.25 -2.93 135.00 136.69 2vka s PRO 182 Ca 0.42 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2vka s PRO 182 Cb 0.35 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 33.00 2vka s PRO 182 CO -0.09 -1.43 0.00 0.41 0.04 0.00 0.00 177.00 175.92 2vka n GLY 183 N 0.52 0.49 3.68 0.56 0.00 -0.32 -4.95 105.19 105.17 2vka n GLY 183 Ca 0.14 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2vka n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vka s THR 184 N -1.92 4.14 0.61 2.61 2.01 -1.15 -4.79 115.64 117.15 2vka s THR 184 Ca 0.00 1.45 -0.12 0.00 0.31 0.00 0.00 61.69 63.33 2vka s THR 184 Cb 0.00 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2vka s THR 184 CO 0.00 -0.05 1.02 -2.16 -0.69 0.00 0.00 174.62 172.75 2vka s PRO 185 N 2.71 3.63 0.41 4.92 0.04 -1.26 -1.36 135.00 144.08 2vka s PRO 185 Ca 0.58 0.78 0.22 0.00 0.04 0.00 0.00 61.00 62.62 2vka s PRO 185 Cb -0.25 -2.09 0.64 0.00 0.04 0.00 0.00 34.50 32.84 2vka s PRO 185 CO 0.21 -0.54 1.70 0.74 0.04 0.00 0.00 177.00 179.15 2vka h PHE 186 N -0.16 0.00 -4.21 0.56 0.04 -1.37 -1.40 116.94 110.40 2vka h PHE 186 Ca -0.44 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 59.95 2vka h PHE 186 Cb 1.19 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.20 2vka h PHE 186 CO 0.66 0.25 -0.57 0.16 -0.60 0.00 0.00 178.31 178.21 2vka s ASP 187 N -6.23 1.21 0.00 2.17 1.47 -1.26 -4.78 116.67 109.25 2vka s ASP 187 Ca 0.02 -1.53 0.26 0.00 1.18 0.00 0.00 52.55 52.48 2vka s ASP 187 Cb 0.09 0.39 1.32 0.00 -0.34 0.00 0.00 42.92 44.38 2vka s ASP 187 CO 0.66 -0.89 1.88 -1.54 0.68 0.00 0.00 175.17 175.96 2vka n SER 188 N -0.82 0.00 -3.20 2.11 3.41 -1.26 -3.95 113.62 109.91 2vka n SER 188 Ca 0.02 -0.13 -0.23 0.00 -0.26 0.00 0.00 58.87 58.27 2vka n SER 188 Cb 0.65 -0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 64.28 2vka n SER 188 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2vka n THR 189 N -1.27 0.62 0.30 6.66 -2.24 -1.26 -4.93 114.28 112.16 2vka n THR 189 Ca 0.13 -4.64 0.08 0.00 -2.27 0.00 0.00 64.05 57.34 2vka n THR 189 Cb 0.20 -1.45 0.36 0.00 -2.10 0.00 0.00 70.33 67.34 2vka n THR 189 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2vka n PRO 190 N 0.75 0.09 -0.69 -0.78 -0.04 -1.25 -1.41 135.00 131.66 2vka n PRO 190 Ca 0.25 0.43 0.08 0.00 -0.04 0.00 0.00 63.50 64.22 2vka n PRO 190 Cb 0.52 -1.70 0.36 0.00 -0.04 0.00 0.00 33.50 32.63 2vka n PRO 190 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2vka n GLY 191 N -0.55 3.07 2.85 0.55 0.00 -1.26 -4.11 105.19 105.73 2vka n GLY 191 Ca 0.01 -0.90 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 2vka n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vka s VAL 192 N -2.37 0.50 -0.80 1.61 1.01 -0.50 -4.11 120.40 115.75 2vka s VAL 192 Ca 0.50 -0.04 -0.22 0.00 0.00 0.00 0.00 61.98 62.22 2vka s VAL 192 Cb 0.36 -0.57 0.08 0.00 0.00 0.00 0.00 36.38 36.25 2vka s VAL 192 CO 0.18 0.24 1.13 0.12 0.00 0.00 0.00 175.10 176.77 2vka s PHE 193 N 1.33 2.72 0.34 5.22 5.36 0.07 -4.57 117.98 128.45 2vka s PHE 193 Ca -0.05 -0.76 -0.02 0.00 -0.96 0.00 0.00 56.93 55.14 2vka s PHE 193 Cb -0.13 -4.40 0.01 0.00 -0.34 0.00 0.00 43.02 38.16 2vka s PHE 193 CO -0.02 -1.71 0.48 -0.40 -1.46 0.00 0.00 175.22 172.11 2vka n ASP 194 N 7.80 -1.34 -0.28 6.13 5.68 -1.26 -4.31 116.55 128.96 2vka n ASP 194 Ca 0.10 -2.78 0.14 0.00 -0.50 0.00 0.00 54.79 51.76 2vka n ASP 194 Cb 0.48 2.48 0.69 0.00 -1.14 0.00 0.00 41.12 43.63 2vka n ASP 194 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2vka n SER 195 N -1.64 0.86 -0.35 -1.12 3.41 -1.26 -4.25 113.62 109.28 2vka n SER 195 Ca 0.00 -1.31 0.10 0.00 -0.26 0.00 0.00 58.87 57.41 2vka n SER 195 Cb 0.56 -0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.79 2vka n SER 195 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2vka h GLN 196 N 1.34 0.84 -0.58 4.33 1.08 -1.94 -1.27 115.11 118.91 2vka h GLN 196 Ca 0.00 -0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.22 2vka h GLN 196 Cb 0.28 -0.19 -0.06 0.00 -0.05 0.00 0.00 27.48 27.47 2vka h GLN 196 CO 0.00 0.55 0.25 0.35 -0.95 0.00 0.00 178.83 179.04 2vka h PHE 197 N 0.86 0.45 0.00 2.96 3.57 -1.89 0.12 116.94 123.02 2vka h PHE 197 Ca 0.53 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.97 2vka h PHE 197 Cb 0.70 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 2vka h PHE 197 CO -0.00 0.17 -0.40 0.74 -2.23 0.00 0.00 178.31 176.58 2vka h PHE 198 N 0.47 0.00 0.05 0.41 -1.00 -1.56 -1.89 116.94 113.43 2vka h PHE 198 Ca 0.27 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.05 2vka h PHE 198 Cb 0.27 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.83 2vka h PHE 198 CO -0.13 0.40 -0.03 0.82 -1.61 0.00 0.00 178.31 177.77 2vka h ILE 199 N 0.00 1.28 -0.00 -0.55 2.04 -1.00 -3.35 117.51 115.93 2vka h ILE 199 Ca -0.00 -1.50 -0.17 0.00 1.00 0.00 0.00 64.86 64.19 2vka h ILE 199 Cb 0.93 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 39.20 2vka h ILE 199 CO 0.05 0.36 -0.81 -0.33 0.00 0.00 0.00 178.15 177.42 2vka h GLU 200 N -0.78 0.05 0.00 2.37 5.08 -0.91 -1.97 114.58 118.41 2vka h GLU 200 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2vka h GLU 200 Cb 0.64 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2vka h GLU 200 CO 0.01 0.83 0.00 1.79 -1.00 0.00 0.00 179.01 180.64 2vka h THR 201 N 0.03 0.00 0.00 1.13 1.35 -1.52 -2.70 112.91 111.19 2vka h THR 201 Ca -0.02 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 2vka h THR 201 Cb 1.42 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2vka h THR 201 CO 0.11 0.00 -0.47 1.67 -0.25 0.00 0.00 175.52 176.57 2vka n GLN 202 N -2.72 0.04 -2.12 4.72 -0.06 -0.74 -4.81 117.38 111.69 2vka n GLN 202 Ca -0.01 0.01 -0.33 0.00 -2.00 0.00 0.00 57.00 54.67 2vka n GLN 202 Cb 0.15 -1.52 0.01 0.00 -4.06 0.00 0.00 30.24 24.81 2vka n GLN 202 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2vka s LEU 203 N -3.14 3.58 0.22 1.69 1.43 -1.02 -0.38 118.68 121.05 2vka s LEU 203 Ca 0.11 1.91 -0.32 0.00 -1.03 0.00 0.00 54.13 54.80 2vka s LEU 203 Cb 0.17 -4.55 -0.13 0.00 0.03 0.00 0.00 46.19 41.71 2vka s LEU 203 CO 0.69 -1.18 1.54 0.29 0.23 0.00 0.00 176.35 177.92 2vka n LYS 204 N -1.80 2.30 -1.83 1.70 5.02 -0.02 -4.74 118.16 118.78 2vka n LYS 204 Ca 0.09 0.82 -0.41 0.00 -2.02 0.00 0.00 58.31 56.80 2vka n LYS 204 Cb 0.52 -2.56 -0.01 0.00 -0.02 0.00 0.00 35.03 32.96 2vka n LYS 204 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2vka s GLY 205 N 0.63 2.71 0.00 0.72 0.00 -1.26 -4.19 107.32 105.93 2vka s GLY 205 Ca 0.71 1.54 0.00 0.00 0.00 0.00 0.00 44.72 46.97 2vka s GLY 205 CO 0.44 2.31 0.00 0.54 0.00 0.00 0.00 173.10 176.38 2vka n ARG 206 N 0.99 2.52 -3.83 2.90 1.74 0.71 -4.90 116.66 116.79 2vka n ARG 206 Ca 0.03 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.05 2vka n ARG 206 Cb 0.39 -0.96 -0.01 0.00 -1.02 0.00 0.00 32.46 30.86 2vka n ARG 206 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2vka s LEU 207 N -4.13 -0.18 -0.16 0.55 0.05 -0.72 -4.97 118.68 109.12 2vka s LEU 207 Ca 0.00 -0.66 -0.05 0.00 0.05 0.00 0.00 54.13 53.47 2vka s LEU 207 Cb 0.00 2.59 -0.04 0.00 -2.05 0.00 0.00 46.19 46.69 2vka s LEU 207 CO 0.00 -1.29 0.02 -0.36 -0.55 0.00 0.00 176.35 174.17 2vka s PHE 208 N -3.42 3.17 0.29 3.48 0.08 -1.26 -0.48 117.98 119.83 2vka s PHE 208 Ca 0.13 -0.03 0.24 0.00 0.12 0.00 0.00 56.93 57.38 2vka s PHE 208 Cb -0.05 -2.00 1.10 0.00 -0.57 0.00 0.00 43.02 41.51 2vka s PHE 208 CO 0.07 0.14 1.92 -1.00 -0.10 0.00 0.00 175.22 176.25 2vka h PRO 209 N 6.47 0.00 0.00 0.24 0.13 -1.82 -3.44 132.00 133.58 2vka h PRO 209 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2vka h PRO 209 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2vka h PRO 209 CO 0.66 0.21 0.00 0.41 -0.23 0.00 0.00 178.00 179.05 2vka n GLY 210 N -0.26 2.26 3.90 1.56 0.00 -1.26 -5.02 105.19 106.37 2vka n GLY 210 Ca -0.01 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 2vka n GLY 210 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vka s THR 211 N 2.35 4.67 -1.19 2.61 -4.23 -1.26 -5.02 115.64 113.57 2vka s THR 211 Ca 0.00 0.36 0.23 0.00 -1.18 0.00 0.00 61.69 61.10 2vka s THR 211 Cb 0.00 -3.81 -0.08 0.00 1.34 0.00 0.00 72.50 69.95 2vka s THR 211 CO 0.00 -0.88 1.16 0.00 -0.54 0.00 0.00 174.62 174.36 2vka n ALA 212 N -2.45 4.05 -1.16 3.99 0.00 -1.26 -4.54 120.51 119.14 2vka n ALA 212 Ca 0.03 -0.50 0.01 0.00 0.00 0.00 0.00 53.44 52.97 2vka n ALA 212 Cb 0.55 -0.93 0.25 0.00 0.00 0.00 0.00 19.45 19.32 2vka n ALA 212 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2vka n ASP 213 N -1.25 3.61 -4.74 0.00 5.75 -1.26 -5.02 116.55 113.64 2vka n ASP 213 Ca 0.06 -3.32 -0.40 0.00 -0.01 0.00 0.00 54.79 51.12 2vka n ASP 213 Cb 0.35 -0.62 -0.05 0.00 -1.03 0.00 0.00 41.12 39.77 2vka n ASP 213 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2vka s ASN 214 N -1.94 7.21 0.26 -1.12 0.01 -1.26 -5.00 114.94 113.10 2vka s ASN 214 Ca 0.46 1.45 -0.30 0.00 -0.71 0.00 0.00 52.86 53.76 2vka s ASN 214 Cb 0.39 -2.47 -0.11 0.00 0.41 0.00 0.00 41.25 39.46 2vka s ASN 214 CO 0.07 -0.02 1.56 -0.75 -1.51 0.00 0.00 177.10 176.45 2vka s LYS 215 N 0.11 4.17 0.00 -0.60 2.20 -1.26 -2.53 119.74 121.84 2vka s LYS 215 Ca 0.40 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.49 2vka s LYS 215 Cb -0.20 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 2vka s LYS 215 CO 0.23 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 175.05 2vka n GLY 216 N 2.54 0.64 3.35 5.54 0.00 -1.26 -4.86 105.19 111.14 2vka n GLY 216 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2vka n GLY 216 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2vka s GLU 217 N -0.01 3.07 0.29 1.61 2.12 -1.05 -0.64 118.70 124.10 2vka s GLU 217 Ca 0.00 -0.75 0.05 0.00 0.36 0.00 0.00 54.97 54.63 2vka s GLU 217 Cb 0.00 -2.47 -0.02 0.00 0.26 0.00 0.00 34.13 31.90 2vka s GLU 217 CO 0.00 0.30 0.42 0.00 -0.54 0.00 0.00 175.26 175.44 2vka s ALA 218 N 0.10 4.04 0.28 6.30 0.00 0.42 -4.65 121.76 128.25 2vka s ALA 218 Ca -0.08 -1.31 -0.30 0.00 0.00 0.00 0.00 51.96 50.28 2vka s ALA 218 Cb -0.15 -1.74 -0.13 0.00 0.00 0.00 0.00 23.12 21.10 2vka s ALA 218 CO 0.05 0.10 1.33 1.04 0.00 0.00 0.00 175.76 178.28 2vka n GLN 219 N -1.54 2.03 -3.48 0.00 6.02 -1.26 -4.20 117.38 114.94 2vka n GLN 219 Ca -0.05 0.72 -0.28 0.00 -0.01 0.00 0.00 57.00 57.37 2vka n GLN 219 Cb 0.57 -2.32 -0.03 0.00 1.02 0.00 0.00 30.24 29.48 2vka n GLN 219 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2vka s SER 220 N -0.01 6.43 0.00 1.08 0.15 0.36 -4.49 113.70 117.22 2vka s SER 220 Ca 0.62 0.60 0.30 0.00 0.70 0.00 0.00 55.95 58.18 2vka s SER 220 Cb -0.62 -2.10 1.55 0.00 -1.71 0.00 0.00 66.02 63.14 2vka s SER 220 CO 0.56 -0.12 2.05 -0.81 1.20 0.00 0.00 173.24 176.11 2vka n PRO 221 N -0.75 0.75 -3.76 5.44 -0.04 -1.26 -0.21 135.00 135.17 2vka n PRO 221 Ca -0.03 -0.11 -0.13 0.00 -0.04 0.00 0.00 63.50 63.19 2vka n PRO 221 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 2vka n PRO 221 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2vka s LEU 222 N -2.33 0.68 0.27 1.53 1.43 -1.26 -4.77 118.68 114.24 2vka s LEU 222 Ca 0.36 0.69 -0.00 0.00 -1.03 0.00 0.00 54.13 54.14 2vka s LEU 222 Cb 0.21 1.16 0.62 0.00 0.03 0.00 0.00 46.19 48.21 2vka s LEU 222 CO 0.43 -0.12 1.66 -0.61 0.23 0.00 0.00 176.35 177.94 2vka h GLN 223 N 5.66 0.23 -0.77 1.70 5.75 -1.96 -2.50 115.11 123.21 2vka h GLN 223 Ca -0.27 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.17 2vka h GLN 223 Cb 1.19 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.66 2vka h GLN 223 CO 0.29 0.15 0.06 0.41 -2.65 0.00 0.00 178.83 177.10 2vka n GLY 224 N -1.37 2.61 3.05 2.39 0.00 -1.26 -4.62 105.19 105.99 2vka n GLY 224 Ca 0.19 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 2vka n GLY 224 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2vka s GLU 225 N -2.12 0.56 0.00 1.61 2.12 -0.94 -4.19 118.70 115.74 2vka s GLU 225 Ca 0.35 -0.64 0.07 0.00 0.36 0.00 0.00 54.97 55.11 2vka s GLU 225 Cb 0.27 -0.41 -0.03 0.00 0.26 0.00 0.00 34.13 34.22 2vka s GLU 225 CO 0.10 0.09 -0.22 -1.50 -0.54 0.00 0.00 175.26 173.19 2vka s ILE 226 N -1.03 2.48 -0.12 -3.70 2.07 -0.53 -4.54 121.20 115.83 2vka s ILE 226 Ca -0.06 -1.10 0.03 0.00 -1.41 0.00 0.00 60.65 58.12 2vka s ILE 226 Cb -0.08 -1.95 0.00 0.00 0.13 0.00 0.00 42.46 40.56 2vka s ILE 226 CO 0.00 0.48 -0.23 -0.60 -1.91 0.00 0.00 174.94 172.69 2vka s ARG 227 N -0.97 3.06 0.30 3.50 3.52 -1.26 -4.35 118.95 122.74 2vka s ARG 227 Ca 0.12 -0.86 -0.26 0.00 -0.13 0.00 0.00 55.73 54.60 2vka s ARG 227 Cb -0.10 -2.36 -0.10 0.00 -1.56 0.00 0.00 34.95 30.83 2vka s ARG 227 CO 0.01 0.12 0.92 -0.51 -0.81 0.00 0.00 175.30 175.03 2vka s LEU 228 N 0.50 4.39 0.26 -0.88 1.43 -1.26 -0.44 118.68 122.68 2vka s LEU 228 Ca -0.15 1.80 -0.05 0.00 -1.03 0.00 0.00 54.13 54.71 2vka s LEU 228 Cb -0.17 -3.90 0.30 0.00 0.03 0.00 0.00 46.19 42.45 2vka s LEU 228 CO 0.05 -0.02 1.87 -0.61 0.23 0.00 0.00 176.35 177.87 2vka h GLN 229 N 3.36 1.13 -0.20 1.70 5.75 -0.97 -0.79 115.11 125.10 2vka h GLN 229 Ca -0.47 -0.14 0.03 0.00 -0.15 0.00 0.00 58.65 57.93 2vka h GLN 229 Cb 1.19 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 29.49 2vka h GLN 229 CO 0.65 0.85 -0.01 0.66 -2.65 0.00 0.00 178.83 178.33 2vka h SER 230 N 1.14 -0.11 -0.30 -0.69 4.64 -1.49 0.25 113.55 116.99 2vka h SER 230 Ca 0.28 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.64 2vka h SER 230 Cb 0.06 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2vka h SER 230 CO -0.04 -0.03 0.15 0.44 -0.87 0.00 0.00 176.83 176.48 2vka h ASP 231 N 0.04 0.39 -0.57 4.97 3.32 -1.81 -0.58 116.42 122.20 2vka h ASP 231 Ca 0.09 -0.12 0.10 0.00 0.02 0.00 0.00 57.03 57.12 2vka h ASP 231 Cb 0.13 -0.10 -0.11 0.00 0.22 0.00 0.00 39.33 39.46 2vka h ASP 231 CO -0.17 0.40 -0.35 -0.74 -1.72 0.00 0.00 179.24 176.66 2vka h HIS 232 N 0.36 -0.97 -0.36 4.55 2.76 -0.91 -1.45 115.15 119.11 2vka h HIS 232 Ca 0.10 0.07 -0.10 0.00 -2.20 0.00 0.00 60.37 58.25 2vka h HIS 232 Cb 0.11 0.51 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 2vka h HIS 232 CO -0.02 -0.39 -0.14 -0.07 -1.30 0.00 0.00 177.93 176.01 2vka h LEU 233 N -0.18 0.76 -1.02 0.26 3.38 -0.78 -3.25 115.31 114.48 2vka h LEU 233 Ca 0.22 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2vka h LEU 233 Cb 0.55 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2vka h LEU 233 CO -0.66 0.98 0.21 -0.07 0.09 0.00 0.00 178.44 178.98 2vka h LEU 234 N 0.53 0.84 -2.60 1.67 3.38 -0.93 0.26 115.31 118.46 2vka h LEU 234 Ca 0.09 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2vka h LEU 234 Cb 0.68 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2vka h LEU 234 CO 0.05 0.78 0.00 0.00 0.09 0.00 0.00 178.44 179.36 2vka h ALA 235 N 1.34 1.00 0.00 1.53 0.00 -1.31 -3.25 119.26 118.56 2vka h ALA 235 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2vka h ALA 235 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2vka h ALA 235 CO -0.01 0.00 -0.87 0.54 0.00 0.00 0.00 179.25 178.91 2vka n ARG 236 N -2.91 1.45 -2.39 0.00 1.74 -0.44 -4.55 116.66 109.56 2vka n ARG 236 Ca -0.02 -0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.63 2vka n ARG 236 Cb 0.08 -0.95 -0.03 0.00 -1.02 0.00 0.00 32.46 30.54 2vka n ARG 236 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2vka s ASP 237 N -2.00 7.10 0.58 0.55 -1.08 0.78 -4.80 116.67 117.80 2vka s ASP 237 Ca -0.00 2.23 0.29 0.00 -0.52 0.00 0.00 52.55 54.55 2vka s ASP 237 Cb 0.01 -2.61 1.46 0.00 -1.46 0.00 0.00 42.92 40.33 2vka s ASP 237 CO 0.08 -0.35 1.89 -0.65 0.52 0.00 0.00 175.17 176.66 2vka h PRO 238 N 5.13 0.00 -0.02 4.34 0.11 -1.90 0.21 132.00 139.86 2vka h PRO 238 Ca -0.45 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 2vka h PRO 238 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2vka h PRO 238 CO 0.74 0.00 -0.59 1.96 -0.21 0.00 0.00 178.00 179.90 2vka h GLN 239 N 0.00 0.08 0.00 1.05 4.20 -1.93 -3.38 115.11 115.13 2vka h GLN 239 Ca 0.26 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2vka h GLN 239 Cb 1.30 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.09 2vka h GLN 239 CO -0.00 0.65 -0.31 0.25 -0.67 0.00 0.00 178.83 178.75 2vka n THR 240 N -3.85 0.00 -0.19 -0.54 -2.24 -0.59 -4.82 114.28 102.04 2vka n THR 240 Ca -0.02 -0.19 -0.07 0.00 -2.27 0.00 0.00 64.05 61.50 2vka n THR 240 Cb 0.60 0.71 0.02 0.00 -2.10 0.00 0.00 70.33 69.56 2vka n THR 240 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vka h ALA 241 N 0.00 0.70 -0.44 6.98 0.00 -0.68 -1.01 119.26 124.81 2vka h ALA 241 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2vka h ALA 241 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2vka h ALA 241 CO 0.00 0.24 -0.08 0.00 0.00 0.00 0.00 179.25 179.41 2vka h GLU 243 N 0.70 0.58 -0.21 0.00 4.57 -1.83 -1.50 114.58 116.88 2vka h GLU 243 Ca 0.12 -0.26 0.06 0.00 -1.18 0.00 0.00 59.36 58.10 2vka h GLU 243 Cb 0.54 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.05 2vka h GLU 243 CO 0.03 0.83 -0.30 2.35 -1.18 0.00 0.00 179.01 180.75 2vka h TRP 244 N 0.32 -0.82 -0.00 0.92 2.91 -1.11 -2.32 115.95 115.85 2vka h TRP 244 Ca 0.06 0.04 -0.05 0.00 1.13 0.00 0.00 58.89 60.08 2vka h TRP 244 Cb 0.67 0.39 -0.01 0.00 -0.51 0.00 0.00 29.16 29.70 2vka h TRP 244 CO 0.06 -0.37 -0.22 0.37 -1.03 0.00 0.00 178.44 177.25 2vka h GLN 245 N -0.33 0.00 0.00 2.65 4.15 -1.24 -2.62 115.11 117.72 2vka h GLN 245 Ca 0.12 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 2vka h GLN 245 Cb 0.52 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 2vka h GLN 245 CO -0.40 0.22 0.00 0.66 -1.93 0.00 0.00 178.83 177.38 2vka h SER 246 N 0.00 0.00 1.26 -0.69 4.64 -0.68 -1.13 113.55 116.95 2vka h SER 246 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2vka h SER 246 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 2vka h SER 246 CO 0.03 0.00 -0.77 -0.26 -0.87 0.00 0.00 176.83 174.96 2vka h PHE 247 N 0.00 0.00 -2.33 4.77 0.04 -1.45 -3.42 116.94 114.55 2vka h PHE 247 Ca 0.00 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.21 2vka h PHE 247 Cb 0.04 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.22 2vka h PHE 247 CO 0.00 0.24 1.10 0.28 -0.60 0.00 0.00 178.31 179.33 2vka n VAL 248 N -2.94 0.46 -3.49 -0.55 0.31 -0.43 -1.33 118.33 110.36 2vka n VAL 248 Ca -0.01 -0.08 -0.25 0.00 -0.01 0.00 0.00 64.34 63.98 2vka n VAL 248 Cb 0.65 -2.04 0.03 0.00 -0.91 0.00 0.00 33.84 31.58 2vka n VAL 248 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2vka n ASN 249 N 6.00 -5.28 -3.12 4.52 5.15 -1.26 -4.90 115.26 116.37 2vka n ASN 249 Ca 0.19 -0.51 -0.17 0.00 -0.60 0.00 0.00 54.58 53.49 2vka n ASN 249 Cb 0.35 -4.24 -0.02 0.00 -0.53 0.00 0.00 39.78 35.34 2vka n ASN 249 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2vka n ASN 250 N -2.67 0.76 -0.29 1.20 2.85 -0.44 -4.97 115.26 111.71 2vka n ASN 250 Ca -0.02 -3.00 0.06 0.00 -0.11 0.00 0.00 54.58 51.51 2vka n ASN 250 Cb 0.56 -0.51 0.28 0.00 1.24 0.00 0.00 39.78 41.35 2vka n ASN 250 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2vka h GLN 251 N 3.00 0.90 -0.90 1.20 5.75 -1.91 -1.88 115.11 121.26 2vka h GLN 251 Ca 0.07 -0.05 0.08 0.00 -0.15 0.00 0.00 58.65 58.60 2vka h GLN 251 Cb 1.00 -0.20 -0.07 0.00 1.07 0.00 0.00 27.48 29.28 2vka h GLN 251 CO 0.48 0.59 0.56 -1.35 -2.65 0.00 0.00 178.83 176.46 2vka h PRO 252 N 0.92 0.94 -0.12 -2.39 0.11 -1.96 0.19 132.00 129.69 2vka h PRO 252 Ca 0.41 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.40 2vka h PRO 252 Cb 0.36 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 2vka h PRO 252 CO -0.17 0.62 -0.18 -0.22 -0.21 0.00 0.00 178.00 177.84 2vka h LYS 253 N 0.97 0.34 -0.51 1.05 3.64 -1.83 -1.88 116.57 118.35 2vka h LYS 253 Ca 0.41 -0.20 0.10 0.00 -1.27 0.00 0.00 60.65 59.70 2vka h LYS 253 Cb 0.27 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.01 2vka h LYS 253 CO -0.21 0.78 -0.15 0.82 -2.27 0.00 0.00 179.45 178.42 2vka h ILE 254 N -0.07 0.46 0.20 2.00 2.04 -1.10 -0.99 117.51 120.06 2vka h ILE 254 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 2vka h ILE 254 Cb 0.74 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2vka h ILE 254 CO 0.04 0.00 -0.10 1.56 0.00 0.00 0.00 178.15 179.65 2vka h GLN 255 N -0.02 -0.26 0.00 2.37 4.20 -0.88 -0.41 115.11 120.11 2vka h GLN 255 Ca 0.24 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.98 2vka h GLN 255 Cb 0.40 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 2vka h GLN 255 CO -0.54 -0.14 -0.02 -0.97 -0.67 0.00 0.00 178.83 176.50 2vka h ASN 256 N -0.32 -0.06 0.48 1.46 -0.73 -1.16 -2.34 115.58 112.91 2vka h ASN 256 Ca -0.03 0.01 -0.20 0.00 1.87 0.00 0.00 56.30 57.95 2vka h ASN 256 Cb 0.25 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.85 2vka h ASN 256 CO 0.05 -0.03 -0.86 0.03 -0.37 0.00 0.00 177.43 176.25 2vka h ARG 257 N -0.04 0.27 -0.32 6.67 2.47 -1.17 -2.32 114.38 119.95 2vka h ARG 257 Ca 0.01 -0.27 -0.10 0.00 -1.26 0.00 0.00 59.98 58.36 2vka h ARG 257 Cb 0.05 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 2vka h ARG 257 CO -0.02 0.98 -0.18 0.35 0.56 0.00 0.00 179.97 181.66 2vka h PHE 258 N 0.16 0.79 -0.15 3.04 3.57 -1.09 -1.76 116.94 121.49 2vka h PHE 258 Ca -0.05 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.24 2vka h PHE 258 Cb 1.47 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 2vka h PHE 258 CO 0.04 0.91 0.05 0.00 -2.23 0.00 0.00 178.31 177.08 2vka h ALA 259 N 0.76 0.20 -0.38 2.41 0.00 -1.41 0.03 119.26 120.86 2vka h ALA 259 Ca 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2vka h ALA 259 Cb 0.72 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2vka h ALA 259 CO 0.05 -0.19 0.11 0.00 0.00 0.00 0.00 179.25 179.22 2vka h ALA 260 N 0.88 0.50 0.04 0.00 0.00 -1.48 -1.07 119.26 118.14 2vka h ALA 260 Ca 0.05 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.56 2vka h ALA 260 Cb 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2vka h ALA 260 CO -0.00 0.15 -1.01 1.15 0.00 0.00 0.00 179.25 179.54 2vka h THR 261 N 0.47 1.44 -0.68 0.00 2.02 -1.29 -2.06 112.91 112.82 2vka h THR 261 Ca 0.12 -2.65 0.03 0.00 0.77 0.00 0.00 66.41 64.69 2vka h THR 261 Cb 0.27 2.57 -0.04 0.00 -1.74 0.00 0.00 68.15 69.21 2vka h THR 261 CO -0.00 0.78 0.42 0.24 0.37 0.00 0.00 175.52 177.33 2vka h MET 262 N 0.17 0.80 -0.43 6.66 2.86 -0.98 0.08 114.93 124.08 2vka h MET 262 Ca -0.09 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.54 2vka h MET 262 Cb 1.67 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 33.12 2vka h MET 262 CO 0.17 0.53 0.20 1.03 1.06 0.00 0.00 176.91 179.90 2vka h SER 263 N 0.82 0.29 -0.62 1.22 0.87 -1.00 0.31 113.55 115.44 2vka h SER 263 Ca 0.27 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.89 2vka h SER 263 Cb 0.03 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 2vka h SER 263 CO -0.11 0.21 0.38 0.50 -0.53 0.00 0.00 176.83 177.27 2vka h LYS 264 N 0.41 0.73 -0.46 2.24 3.64 -1.06 -2.39 116.57 119.69 2vka h LYS 264 Ca 0.19 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2vka h LYS 264 Cb 0.11 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2vka h LYS 264 CO -0.15 0.48 0.06 1.98 -2.27 0.00 0.00 179.45 179.56 2vka h MET 265 N 0.75 0.77 0.00 1.90 4.05 -0.59 -2.13 114.93 119.68 2vka h MET 265 Ca 0.25 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2vka h MET 265 Cb 0.01 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 2vka h MET 265 CO -0.10 0.79 0.00 0.00 0.23 0.00 0.00 176.91 177.84 2vka h ALA 266 N 0.94 1.00 -0.23 0.39 0.00 -0.03 -2.52 119.26 118.81 2vka h ALA 266 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2vka h ALA 266 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2vka h ALA 266 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 2vka n LEU 267 N -2.75 2.63 -4.70 0.00 4.77 -0.83 -4.70 117.00 111.43 2vka n LEU 267 Ca -0.02 -1.55 -0.43 0.00 -0.03 0.00 0.00 56.01 53.98 2vka n LEU 267 Cb 0.06 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 2vka n LEU 267 CO 0.16 0.60 1.40 0.18 -1.33 0.00 0.00 177.39 178.39 2vka n LEU 268 N 0.71 3.83 0.00 2.23 4.77 -0.95 -0.47 117.00 127.12 2vka n LEU 268 Ca 0.11 1.03 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 2vka n LEU 268 Cb 0.40 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.96 2vka n LEU 268 CO 0.09 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 2vka n GLY 269 N 4.02 1.11 3.56 -0.72 0.00 -1.26 -0.34 105.19 111.56 2vka n GLY 269 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 2vka n GLY 269 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vka s GLN 270 N -0.31 1.84 -0.24 1.61 -1.52 0.38 -4.91 119.66 116.51 2vka s GLN 270 Ca 0.00 -2.01 0.00 0.00 -1.95 0.00 0.00 55.36 51.40 2vka s GLN 270 Cb 0.00 -1.46 0.06 0.00 -0.22 0.00 0.00 33.01 31.39 2vka s GLN 270 CO 0.00 -0.03 -0.03 0.34 -0.25 0.00 0.00 175.29 175.32 2vka s ASP 271 N -3.62 3.79 0.60 5.90 2.15 -1.26 -5.00 116.67 119.22 2vka s ASP 271 Ca 0.34 -1.21 0.35 0.00 0.43 0.00 0.00 52.55 52.46 2vka s ASP 271 Cb 0.08 -1.11 1.91 0.00 -0.30 0.00 0.00 42.92 43.50 2vka s ASP 271 CO 0.17 -0.26 2.23 0.07 -0.17 0.00 0.00 175.17 177.20 2vka h LYS 272 N 7.98 0.00 0.00 4.34 2.10 -1.94 -0.26 116.57 128.80 2vka h LYS 272 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 2vka h LYS 272 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 2vka h LYS 272 CO 0.41 0.03 0.00 1.79 -2.00 0.00 0.00 179.45 179.68 2vka h THR 273 N 0.00 0.00 -0.04 0.07 1.35 -2.02 -2.29 112.91 109.97 2vka h THR 273 Ca -0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2vka h THR 273 Cb 0.13 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 2vka h THR 273 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 2vka n LYS 274 N -2.52 1.84 -4.29 4.72 4.76 -0.11 -4.96 118.16 117.60 2vka n LYS 274 Ca 0.04 -1.22 -0.26 0.00 -2.87 0.00 0.00 58.31 54.00 2vka n LYS 274 Cb 0.37 -1.47 -0.08 0.00 -1.84 0.00 0.00 35.03 32.01 2vka n LYS 274 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2vka s LEU 275 N -1.94 3.03 -0.13 -0.35 1.43 -0.86 -4.94 118.68 114.91 2vka s LEU 275 Ca 0.35 -1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.27 2vka s LEU 275 Cb 0.20 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 2vka s LEU 275 CO 0.32 -0.52 -0.11 -0.63 0.23 0.00 0.00 176.35 175.64 2vka s ILE 276 N -2.64 3.23 -0.14 -0.59 1.01 0.22 -4.88 121.20 117.40 2vka s ILE 276 Ca 0.39 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 2vka s ILE 276 Cb 0.06 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 2vka s ILE 276 CO 0.21 0.52 1.44 -0.62 0.00 0.00 0.00 174.94 176.50 2vka s ASP 277 N 0.28 6.76 -0.14 3.58 -1.08 -1.26 -0.03 116.67 124.78 2vka s ASP 277 Ca -0.08 1.84 0.15 0.00 -0.52 0.00 0.00 52.55 53.94 2vka s ASP 277 Cb -0.15 -2.54 0.39 0.00 -1.46 0.00 0.00 42.92 39.16 2vka s ASP 277 CO 0.05 -0.90 1.19 0.00 0.52 0.00 0.00 175.17 176.03 2vka h SER 279 N 0.84 0.09 0.46 0.00 0.02 -1.78 -2.17 113.55 111.01 2vka h SER 279 Ca -0.05 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2vka h SER 279 Cb 1.22 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2vka h SER 279 CO 0.02 0.06 0.00 -0.90 -1.14 0.00 0.00 176.83 174.87 2vka n ASP 280 N -4.48 0.00 0.17 3.07 5.68 -1.26 -2.24 116.55 117.49 2vka n ASP 280 Ca 0.03 0.08 0.05 0.00 -0.50 0.00 0.00 54.79 54.45 2vka n ASP 280 Cb 0.26 -0.33 0.16 0.00 -1.14 0.00 0.00 41.12 40.07 2vka n ASP 280 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2vka h VAL 281 N 0.00 0.74 -3.05 2.12 2.07 -1.75 -3.45 116.25 112.92 2vka h VAL 281 Ca 0.00 -1.83 -0.53 0.00 0.82 0.00 0.00 66.70 65.16 2vka h VAL 281 Cb 0.23 2.21 0.04 0.00 -1.52 0.00 0.00 31.29 32.25 2vka h VAL 281 CO 0.00 0.39 0.80 -0.63 0.02 0.00 0.00 177.57 178.15 2vka s ILE 282 N -3.18 2.80 0.83 4.57 -1.09 -0.95 -4.96 121.20 119.21 2vka s ILE 282 Ca 0.03 0.61 -0.13 0.00 -2.23 0.00 0.00 60.65 58.93 2vka s ILE 282 Cb 0.08 -3.39 0.07 0.00 -1.58 0.00 0.00 42.46 37.64 2vka s ILE 282 CO 0.71 0.06 1.03 -2.65 -1.23 0.00 0.00 174.94 172.86 2vka n PRO 283 N 3.41 0.08 -2.43 2.79 -0.02 -1.26 -4.97 135.00 132.60 2vka n PRO 283 Ca 0.11 0.10 -0.43 0.00 -2.02 0.00 0.00 63.50 61.26 2vka n PRO 283 Cb 0.40 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 2vka n PRO 283 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2vka s THR 284 N -2.18 4.27 0.68 3.45 2.01 -1.26 -4.78 115.64 117.83 2vka s THR 284 Ca 0.70 1.52 -0.15 0.00 0.31 0.00 0.00 61.69 64.06 2vka s THR 284 Cb -0.28 -4.03 0.01 0.00 0.01 0.00 0.00 72.50 68.21 2vka s THR 284 CO 0.54 -0.19 1.16 -2.84 -0.69 0.00 0.00 174.62 172.60 2vka s PRO 285 N 3.61 2.57 0.76 4.92 0.02 -1.24 -4.93 135.00 140.70 2vka s PRO 285 Ca 0.55 1.58 -0.12 0.00 0.02 0.00 0.00 61.00 63.03 2vka s PRO 285 Cb -0.21 -1.90 0.06 0.00 0.02 0.00 0.00 34.50 32.46 2vka s PRO 285 CO 0.16 -1.47 1.11 -2.14 -0.33 0.00 0.00 177.00 174.33 2vka s PRO 286 N -3.93 2.20 0.41 5.54 0.02 -1.26 -4.92 135.00 133.06 2vka s PRO 286 Ca 0.71 1.31 -0.01 0.00 0.02 0.00 0.00 61.00 63.03 2vka s PRO 286 Cb -0.25 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.37 2vka s PRO 286 CO 0.42 -1.70 0.64 0.00 -0.33 0.00 0.00 177.00 176.02 2vka s ALA 287 N -2.68 3.65 0.67 -1.55 0.00 -1.26 -1.26 121.76 119.33 2vka s ALA 287 Ca 0.64 -0.87 -0.16 0.00 0.00 0.00 0.00 51.96 51.57 2vka s ALA 287 Cb -0.19 -2.22 0.01 0.00 0.00 0.00 0.00 23.12 20.71 2vka s ALA 287 CO 0.52 -0.21 1.17 -0.51 0.00 0.00 0.00 175.76 176.73 2vka s LEU 288 N -4.49 3.42 0.00 0.00 1.43 -1.26 -4.24 118.68 113.55 2vka s LEU 288 Ca 0.44 2.22 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 2vka s LEU 288 Cb -0.10 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.55 2vka s LEU 288 CO 0.38 -1.87 0.00 0.52 0.23 0.00 0.00 176.35 175.61 2vka n VAL 289 N -2.35 0.00 -3.92 -1.59 0.31 -1.26 -4.98 118.33 104.54 2vka n VAL 289 Ca 0.12 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.13 2vka n VAL 289 Cb 0.51 -0.50 -0.04 0.00 -0.91 0.00 0.00 33.84 32.90 2vka n VAL 289 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2vka s GLY 290 N -3.91 2.18 0.50 2.92 0.00 -1.26 -5.09 107.32 102.66 2vka s GLY 290 Ca 0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 44.72 43.73 2vka s GLY 290 CO 0.00 -0.74 1.01 0.00 0.00 0.00 0.00 173.10 173.37 2vka s ALA 291 N -1.42 2.93 0.54 3.20 0.00 -1.26 -5.03 121.76 120.73 2vka s ALA 291 Ca 0.31 0.42 -0.22 0.00 0.00 0.00 0.00 51.96 52.47 2vka s ALA 291 Cb -0.13 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 2vka s ALA 291 CO 0.23 -0.29 1.28 0.00 0.00 0.00 0.00 175.76 176.98 2vka n ALA 292 N -1.25 1.29 -3.39 0.00 0.00 -1.26 -5.03 120.51 110.88 2vka n ALA 292 Ca 0.08 0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.49 2vka n ALA 292 Cb 0.53 -2.30 -0.06 0.00 0.00 0.00 0.00 19.45 17.62 2vka n ALA 292 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2vka s HIS 293 N -1.31 -0.50 0.55 0.00 -3.43 -1.26 -4.74 115.29 104.60 2vka s HIS 293 Ca 0.71 0.72 -0.19 0.00 -0.80 0.00 0.00 55.06 55.50 2vka s HIS 293 Cb -0.43 0.35 -0.06 0.00 -1.43 0.00 0.00 32.58 31.01 2vka s HIS 293 CO 0.50 -0.60 1.11 -0.51 -2.00 0.00 0.00 174.74 173.23 2vka s LEU 294 N -1.58 3.72 0.63 5.38 1.43 -0.41 -4.96 118.68 122.89 2vka s LEU 294 Ca -0.09 2.10 -0.18 0.00 -1.03 0.00 0.00 54.13 54.94 2vka s LEU 294 Cb -0.01 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.59 2vka s LEU 294 CO 0.04 -1.18 0.81 -2.65 0.23 0.00 0.00 176.35 173.60 2vka n PRO 295 N -1.38 0.67 -1.96 1.29 -0.02 -1.26 -4.28 135.00 128.07 2vka n PRO 295 Ca 0.11 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.45 2vka n PRO 295 Cb 0.51 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 2vka n PRO 295 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vka s ALA 296 N -1.64 3.60 0.00 3.55 0.00 -1.26 -2.00 121.76 124.00 2vka s ALA 296 Ca 0.73 1.41 0.00 0.00 0.00 0.00 0.00 51.96 54.10 2vka s ALA 296 Cb -0.40 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.15 2vka s ALA 296 CO 0.50 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2vka n GLY 297 N 1.40 1.68 3.90 0.00 0.00 -1.26 -5.04 105.19 105.87 2vka n GLY 297 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2vka n GLY 297 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vka s PHE 298 N -3.03 3.47 0.27 1.61 0.40 -0.85 -5.12 117.98 114.73 2vka s PHE 298 Ca 0.00 0.68 0.04 0.00 -0.60 0.00 0.00 56.93 57.06 2vka s PHE 298 Cb 0.00 -2.13 -0.02 0.00 0.51 0.00 0.00 43.02 41.38 2vka s PHE 298 CO 0.00 0.20 0.16 -1.13 0.70 0.00 0.00 175.22 175.16 2vka n SER 299 N -0.72 0.23 -0.13 1.36 3.41 -1.26 -4.69 113.62 111.81 2vka n SER 299 Ca -0.01 -2.60 0.09 0.00 -0.26 0.00 0.00 58.87 56.09 2vka n SER 299 Cb 0.53 1.01 0.43 0.00 -0.26 0.00 0.00 64.21 65.93 2vka n SER 299 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2vka h LEU 300 N 0.00 0.51 -2.43 1.04 5.85 -1.96 -0.60 115.31 117.73 2vka h LEU 300 Ca -0.20 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2vka h LEU 300 Cb 0.88 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.81 2vka h LEU 300 CO 0.30 0.32 0.00 0.77 -0.34 0.00 0.00 178.44 179.49 2vka h SER 301 N 0.57 0.00 1.05 1.25 4.64 -2.03 -0.78 113.55 118.26 2vka h SER 301 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2vka h SER 301 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2vka h SER 301 CO -0.10 0.00 -0.28 0.47 -0.87 0.00 0.00 176.83 176.06 2vka n ASP 302 N -2.84 0.58 -4.73 4.97 8.00 -0.23 -4.86 116.55 117.45 2vka n ASP 302 Ca -0.02 0.30 -0.39 0.00 0.71 0.00 0.00 54.79 55.38 2vka n ASP 302 Cb 0.08 -0.28 -0.05 0.00 -0.02 0.00 0.00 41.12 40.85 2vka n ASP 302 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2vka s VAL 303 N -3.09 5.03 -1.14 2.53 1.01 -0.30 -0.84 120.40 123.60 2vka s VAL 303 Ca 0.10 1.35 -0.16 0.00 0.00 0.00 0.00 61.98 63.27 2vka s VAL 303 Cb 0.15 -4.00 0.14 0.00 0.00 0.00 0.00 36.38 32.67 2vka s VAL 303 CO 0.64 0.29 1.41 -1.61 0.00 0.00 0.00 175.10 175.83 2vka s GLU 304 N 0.59 3.93 0.13 2.72 2.02 0.49 -4.89 118.70 123.68 2vka s GLU 304 Ca 0.35 -2.21 -0.31 0.00 0.02 0.00 0.00 54.97 52.82 2vka s GLU 304 Cb -0.18 -5.12 -0.11 0.00 0.10 0.00 0.00 34.13 28.83 2vka s GLU 304 CO 0.17 -1.87 1.84 -0.65 0.02 0.00 0.00 175.26 174.77 2vka s GLN 305 N 2.44 4.13 0.00 1.61 -0.21 -1.26 -4.89 119.66 121.48 2vka s GLN 305 Ca 0.42 2.62 0.00 0.00 0.02 0.00 0.00 55.36 58.42 2vka s GLN 305 Cb -0.02 -3.56 0.00 0.00 1.00 0.00 0.00 33.01 30.43 2vka s GLN 305 CO -0.02 -0.85 0.78 0.00 -2.12 0.00 0.00 175.29 173.09 2vka n ALA 306 N 5.56 1.69 -3.45 6.09 0.00 -1.26 -4.96 120.51 124.18 2vka n ALA 306 Ca 0.18 -0.78 -0.38 0.00 0.00 0.00 0.00 53.44 52.46 2vka n ALA 306 Cb 0.38 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.72 2vka n ALA 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vka h ALA 308 N 8.24 1.37 -0.29 0.00 0.00 -1.98 -3.06 119.26 123.54 2vka h ALA 308 Ca -0.20 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2vka h ALA 308 Cb 1.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2vka h ALA 308 CO 0.69 0.52 -0.12 0.00 0.00 0.00 0.00 179.25 180.34 2vka h ALA 309 N 1.46 1.26 -3.07 0.00 0.00 -2.02 -3.44 119.26 113.45 2vka h ALA 309 Ca 0.24 -0.27 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 2vka h ALA 309 Cb 0.04 -0.13 -0.33 0.00 0.00 0.00 0.00 17.79 17.36 2vka h ALA 309 CO -0.04 0.49 -0.58 0.99 0.00 0.00 0.00 179.25 180.11 2vka s THR 310 N -4.74 -0.20 0.53 0.00 2.01 -1.16 -5.14 115.64 106.95 2vka s THR 310 Ca -0.07 0.26 -0.20 0.00 0.31 0.00 0.00 61.69 61.99 2vka s THR 310 Cb 0.15 -0.33 -0.06 0.00 0.01 0.00 0.00 72.50 72.27 2vka s THR 310 CO 0.77 0.11 1.16 -2.84 -0.69 0.00 0.00 174.62 173.13 2vka s PRO 311 N 1.85 3.38 0.27 4.92 0.02 -1.26 -4.53 135.00 139.65 2vka s PRO 311 Ca -0.03 1.71 -0.31 0.00 0.02 0.00 0.00 61.00 62.40 2vka s PRO 311 Cb -0.12 -2.10 -0.12 0.00 0.02 0.00 0.00 34.50 32.18 2vka s PRO 311 CO -0.07 -0.85 1.50 0.34 -0.33 0.00 0.00 177.00 177.59 2vka n PHE 312 N -1.14 2.50 -1.85 6.54 7.35 -1.26 -4.91 117.46 124.70 2vka n PHE 312 Ca 0.11 0.35 -0.36 0.00 -0.76 0.00 0.00 57.45 56.79 2vka n PHE 312 Cb 0.50 -2.53 0.05 0.00 0.35 0.00 0.00 39.48 37.85 2vka n PHE 312 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2vka s PRO 313 N -0.50 2.74 -0.43 -7.13 0.04 -1.26 -4.92 135.00 123.54 2vka s PRO 313 Ca 0.66 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 63.23 2vka s PRO 313 Cb -0.57 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.09 2vka s PRO 313 CO 0.49 -1.39 1.24 0.00 0.04 0.00 0.00 177.00 177.39 2vka s ALA 314 N -1.69 3.15 0.10 8.56 0.00 -1.26 -5.00 121.76 125.63 2vka s ALA 314 Ca 0.77 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.51 2vka s ALA 314 Cb -0.30 -3.89 -0.04 0.00 0.00 0.00 0.00 23.12 18.89 2vka s ALA 314 CO 0.37 -2.22 -0.15 -0.51 0.00 0.00 0.00 175.76 173.24 2vka s LEU 315 N 4.73 2.81 0.81 0.00 1.43 -1.26 -5.14 118.68 122.06 2vka s LEU 315 Ca 0.53 -0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 2vka s LEU 315 Cb -0.10 -1.64 0.08 0.00 0.03 0.00 0.00 46.19 44.55 2vka s LEU 315 CO 0.30 0.19 1.13 0.42 0.23 0.00 0.00 176.35 178.62 2vka s THR 316 N -1.14 2.65 0.00 5.49 -4.23 -1.26 -4.78 115.64 112.37 2vka s THR 316 Ca 0.19 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 2vka s THR 316 Cb -0.11 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.66 2vka s THR 316 CO 0.11 -0.27 0.37 0.00 -0.54 0.00 0.00 174.62 174.28