#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvv n ASP 5 N 0.00 0.69 -4.19 4.04 8.00 0.27 -4.91 116.55 120.44 3kvv n ASP 5 Ca 0.00 -0.86 -0.12 0.00 0.71 0.00 0.00 54.79 54.52 3kvv n ASP 5 Cb 0.00 -0.02 -0.10 0.00 -0.02 0.00 0.00 41.12 40.98 3kvv n ASP 5 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3kvv s VAL 6 N -2.32 0.88 0.26 2.53 -7.23 -1.24 -5.06 120.40 108.22 3kvv s VAL 6 Ca 0.33 -1.90 0.06 0.00 -1.81 0.00 0.00 61.98 58.66 3kvv s VAL 6 Cb 0.20 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 35.48 3kvv s VAL 6 CO 0.44 -0.77 1.61 0.15 -0.31 0.00 0.00 175.10 176.22 3kvv h PHE 7 N 3.05 0.23 0.00 2.82 3.57 -1.95 -3.39 116.94 121.26 3kvv h PHE 7 Ca -0.36 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 60.97 3kvv h PHE 7 Cb 1.18 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 3kvv h PHE 7 CO 0.62 0.70 -1.32 0.72 -2.23 0.00 0.00 178.31 176.80 3kvv n HIS 8 N -3.90 0.00 0.45 0.41 8.25 -1.26 -4.79 115.22 114.39 3kvv n HIS 8 Ca -0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.57 3kvv n HIS 8 Cb 0.58 -0.21 0.45 0.00 1.12 0.00 0.00 29.99 31.93 3kvv n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3kvv h LEU 9 N -0.04 0.00 -1.92 2.41 3.38 -1.94 -3.44 115.31 113.75 3kvv h LEU 9 Ca -0.13 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.50 3kvv h LEU 9 Cb 1.18 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.07 3kvv h LEU 9 CO -0.03 0.00 -0.81 0.61 0.09 0.00 0.00 178.44 178.29 3kvv n GLY 10 N 0.60 -0.52 3.13 0.83 0.00 -1.26 -4.72 105.19 103.25 3kvv n GLY 10 Ca 0.03 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 3kvv n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvv s LEU 11 N -6.28 2.33 0.31 0.99 1.43 -1.26 -4.78 118.68 111.42 3kvv s LEU 11 Ca 0.11 -0.69 0.09 0.00 -1.03 0.00 0.00 54.13 52.61 3kvv s LEU 11 Cb -0.02 -0.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.89 3kvv s LEU 11 CO 0.76 -0.22 0.08 0.42 0.23 0.00 0.00 176.35 177.62 3kvv s THR 12 N -1.91 3.19 0.30 5.49 -4.23 -1.26 -0.57 115.64 116.65 3kvv s THR 12 Ca -0.02 -1.78 -0.02 0.00 -1.18 0.00 0.00 61.69 58.70 3kvv s THR 12 Cb -0.06 -2.93 0.25 0.00 1.34 0.00 0.00 72.50 71.10 3kvv s THR 12 CO 0.00 -0.26 1.96 0.50 -0.54 0.00 0.00 174.62 176.29 3kvv h LYS 13 N 1.69 1.05 -0.98 3.99 3.64 -1.96 -1.31 116.57 122.68 3kvv h LYS 13 Ca -0.44 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 58.97 3kvv h LYS 13 Cb 1.25 -0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 32.77 3kvv h LYS 13 CO 0.62 0.71 0.63 -0.91 -2.27 0.00 0.00 179.45 178.23 3kvv h ASN 14 N 1.07 0.94 -0.67 4.20 2.35 -1.95 -2.16 115.58 119.35 3kvv h ASN 14 Ca 0.29 0.03 0.15 0.00 -0.55 0.00 0.00 56.30 56.21 3kvv h ASN 14 Cb -0.10 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.07 3kvv h ASN 14 CO -0.06 0.55 0.46 0.44 -1.65 0.00 0.00 177.43 177.16 3kvv h ASP 15 N 1.03 0.27 1.71 5.81 3.32 -1.63 -0.70 116.42 126.22 3kvv h ASP 15 Ca 0.46 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.48 3kvv h ASP 15 Cb 0.36 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3kvv h ASP 15 CO -0.21 0.14 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.20 3kvv h LEU 16 N 0.29 0.00 -0.63 1.55 3.38 -1.45 -3.48 115.31 114.97 3kvv h LEU 16 Ca 0.33 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.87 3kvv h LEU 16 Cb 0.87 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.68 3kvv h LEU 16 CO -0.08 0.19 -0.69 0.00 0.09 0.00 0.00 178.44 177.94 3kvv n GLN 17 N -3.16 -6.70 -0.68 1.13 6.02 -0.27 -2.15 117.38 111.57 3kvv n GLN 17 Ca 0.03 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 57.77 3kvv n GLN 17 Cb 0.58 -5.72 0.00 0.00 1.02 0.00 0.00 30.24 26.12 3kvv n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kvv n GLY 18 N -1.83 0.81 3.67 1.08 0.00 -1.26 -4.81 105.19 102.84 3kvv n GLY 18 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3kvv n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvv n ALA 19 N 0.05 0.86 -0.20 4.61 0.00 -0.91 -4.91 120.51 120.00 3kvv n ALA 19 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3kvv n ALA 19 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.26 3kvv n ALA 19 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kvv n THR 20 N 0.40 0.09 -4.75 0.00 -2.24 -1.26 -4.29 114.28 102.23 3kvv n THR 20 Ca 0.06 -0.45 -0.25 0.00 -2.27 0.00 0.00 64.05 61.15 3kvv n THR 20 Cb 0.35 1.13 -0.16 0.00 -2.10 0.00 0.00 70.33 69.55 3kvv n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3kvv s LEU 21 N -0.09 1.92 -0.04 3.22 0.20 -1.26 0.07 118.68 122.69 3kvv s LEU 21 Ca 0.00 -0.31 0.04 0.00 0.69 0.00 0.00 54.13 54.54 3kvv s LEU 21 Cb 0.00 -0.88 -0.00 0.00 -0.43 0.00 0.00 46.19 44.88 3kvv s LEU 21 CO 0.00 0.15 -0.15 0.00 -0.29 0.00 0.00 176.35 176.06 3kvv s ALA 22 N -0.03 1.33 -0.18 5.97 0.00 -0.22 -1.73 121.76 126.90 3kvv s ALA 22 Ca -0.01 -0.57 -0.15 0.00 0.00 0.00 0.00 51.96 51.22 3kvv s ALA 22 Cb -0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 3kvv s ALA 22 CO 0.01 0.23 0.36 0.42 0.00 0.00 0.00 175.76 176.78 3kvv s ILE 23 N 0.13 5.25 -0.46 0.00 1.01 0.91 -1.21 121.20 126.83 3kvv s ILE 23 Ca -0.05 0.65 0.03 0.00 0.00 0.00 0.00 60.65 61.28 3kvv s ILE 23 Cb -0.11 -3.69 0.13 0.00 0.01 0.00 0.00 42.46 38.80 3kvv s ILE 23 CO 0.02 0.32 0.24 0.68 0.00 0.00 0.00 174.94 176.20 3kvv s VAL 24 N 0.88 1.77 0.67 2.92 -7.23 0.71 -1.71 120.40 118.41 3kvv s VAL 24 Ca 0.18 -2.76 -0.11 0.00 -1.81 0.00 0.00 61.98 57.49 3kvv s VAL 24 Cb -0.14 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 3kvv s VAL 24 CO 0.06 -0.86 1.05 -2.16 -0.31 0.00 0.00 175.10 172.89 3kvv s PRO 25 N 0.19 3.14 0.06 4.82 0.04 -1.24 -3.50 135.00 138.51 3kvv s PRO 25 Ca 0.17 0.83 -0.16 0.00 0.04 0.00 0.00 61.00 61.88 3kvv s PRO 25 Cb -0.25 -2.02 -0.18 0.00 0.04 0.00 0.00 34.50 32.09 3kvv s PRO 25 CO -0.00 -0.92 1.24 0.78 0.04 0.00 0.00 177.00 178.13 3kvv h GLY 26 N -0.58 0.68 -6.05 0.56 0.00 -1.83 0.02 103.07 95.86 3kvv h GLY 26 Ca -0.44 -1.00 -0.60 0.00 0.00 0.00 0.00 47.33 45.29 3kvv h GLY 26 CO 0.59 0.89 0.15 -0.35 0.00 0.00 0.00 176.54 177.83 3kvv s ASP 27 N -6.88 6.68 0.53 0.19 -1.08 -1.26 -1.21 116.67 113.64 3kvv s ASP 27 Ca -0.12 0.83 0.25 0.00 -0.52 0.00 0.00 52.55 52.99 3kvv s ASP 27 Cb 0.06 -2.35 1.39 0.00 -1.46 0.00 0.00 42.92 40.56 3kvv s ASP 27 CO 0.86 -0.31 1.99 -0.65 0.52 0.00 0.00 175.17 177.59 3kvv h PRO 28 N 7.57 0.01 0.00 4.34 0.11 -1.88 -1.38 132.00 140.77 3kvv h PRO 28 Ca -0.30 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3kvv h PRO 28 Cb 1.14 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kvv h PRO 28 CO 0.78 0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 178.32 3kvv n ASP 29 N -4.38 0.08 0.07 -2.05 9.92 -1.26 -2.69 116.55 116.25 3kvv n ASP 29 Ca 0.10 0.51 0.12 0.00 -0.53 0.00 0.00 54.79 54.99 3kvv n ASP 29 Cb 0.61 -0.53 0.18 0.00 -0.64 0.00 0.00 41.12 40.73 3kvv n ASP 29 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3kvv h ARG 30 N 0.00 0.00 0.05 -1.24 2.43 -1.66 -3.39 114.38 110.57 3kvv h ARG 30 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3kvv h ARG 30 Cb 0.48 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3kvv h ARG 30 CO 0.00 0.00 -0.08 0.28 -1.51 0.00 0.00 179.97 178.66 3kvv h VAL 31 N 0.00 0.82 -0.67 0.20 2.07 -1.58 -1.88 116.25 115.21 3kvv h VAL 31 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3kvv h VAL 31 Cb 0.77 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3kvv h VAL 31 CO 0.00 0.00 0.33 -0.08 0.02 0.00 0.00 177.57 177.84 3kvv h GLU 32 N -0.16 0.95 -0.75 1.57 4.81 -1.78 -1.45 114.58 117.76 3kvv h GLU 32 Ca 0.01 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 3kvv h GLU 32 Cb 0.17 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3kvv h GLU 32 CO -0.04 0.72 0.38 0.87 -0.73 0.00 0.00 179.01 180.21 3kvv h LYS 33 N 0.95 1.07 -0.05 1.92 1.57 -1.66 0.49 116.57 120.87 3kvv h LYS 33 Ca 0.23 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3kvv h LYS 33 Cb 0.08 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 3kvv h LYS 33 CO -0.03 0.83 -0.02 0.82 -0.57 0.00 0.00 179.45 180.47 3kvv h ILE 34 N 1.05 1.32 -0.34 1.86 2.04 -0.91 -3.07 117.51 119.47 3kvv h ILE 34 Ca 0.26 -1.01 0.04 0.00 1.00 0.00 0.00 64.86 65.15 3kvv h ILE 34 Cb 0.09 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 3kvv h ILE 34 CO -0.04 0.27 0.23 0.00 0.00 0.00 0.00 178.15 178.62 3kvv h ALA 35 N 0.61 1.93 0.00 1.87 0.00 -1.05 -1.11 119.26 121.51 3kvv h ALA 35 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kvv h ALA 35 Cb 0.45 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kvv h ALA 35 CO 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 179.25 179.25 3kvv h ALA 36 N 1.81 1.42 0.00 0.00 0.00 -0.80 -0.76 119.26 120.94 3kvv h ALA 36 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kvv h ALA 36 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kvv h ALA 36 CO -0.03 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.54 3kvv n LEU 37 N -3.74 0.20 0.00 0.00 7.99 -0.42 -4.86 117.00 116.18 3kvv n LEU 37 Ca -0.03 0.53 -0.15 0.00 -0.01 0.00 0.00 56.01 56.36 3kvv n LEU 37 Cb 0.12 -0.48 -0.01 0.00 -0.11 0.00 0.00 43.42 42.94 3kvv n LEU 37 CO 0.28 -0.17 -0.00 0.23 -1.51 0.00 0.00 177.39 176.22 3kvv n MET 38 N -1.70 1.14 -3.33 3.23 2.81 -0.29 -5.12 117.12 113.85 3kvv n MET 38 Ca 0.05 -1.83 -0.34 0.00 -1.81 0.00 0.00 57.70 53.77 3kvv n MET 38 Cb 0.29 0.27 -0.06 0.00 -0.71 0.00 0.00 33.22 33.02 3kvv n MET 38 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3kvv s ASP 39 N -2.63 6.76 -1.41 7.83 1.01 -0.14 -4.50 116.67 123.59 3kvv s ASP 39 Ca 0.12 1.07 -0.03 0.00 0.71 0.00 0.00 52.55 54.42 3kvv s ASP 39 Cb -0.01 -2.28 0.02 0.00 1.01 0.00 0.00 42.92 41.66 3kvv s ASP 39 CO 0.08 -0.01 0.59 0.29 0.21 0.00 0.00 175.17 176.33 3kvv n LYS 40 N 0.27 -4.06 -2.31 8.23 5.02 -1.26 0.53 118.16 124.59 3kvv n LYS 40 Ca -0.02 0.49 -0.41 0.00 -2.02 0.00 0.00 58.31 56.36 3kvv n LYS 40 Cb 0.52 -4.88 -0.03 0.00 -0.02 0.00 0.00 35.03 30.61 3kvv n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kvv s PRO 41 N -6.39 4.46 0.00 1.97 0.04 -1.26 -4.45 135.00 129.37 3kvv s PRO 41 Ca 0.12 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.12 3kvv s PRO 41 Cb -0.06 -3.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.26 3kvv s PRO 41 CO 0.86 -0.12 -0.02 0.54 0.04 0.00 0.00 177.00 178.30 3kvv s VAL 42 N -0.18 0.11 0.01 -0.36 0.11 0.34 -4.99 120.40 115.44 3kvv s VAL 42 Ca 0.53 -0.23 -0.30 0.00 -2.93 0.00 0.00 61.98 59.05 3kvv s VAL 42 Cb -0.34 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 3kvv s VAL 42 CO 0.39 -0.08 0.97 -0.75 -3.33 0.00 0.00 175.10 172.30 3kvv s LYS 43 N -0.33 4.57 -0.25 1.54 2.20 -1.26 -0.75 119.74 125.46 3kvv s LYS 43 Ca -0.03 1.40 -0.02 0.00 -0.36 0.00 0.00 55.97 56.97 3kvv s LYS 43 Cb -0.02 -3.45 -0.17 0.00 -1.51 0.00 0.00 37.83 32.68 3kvv s LYS 43 CO -0.00 -0.02 -0.19 1.28 -0.36 0.00 0.00 175.35 176.06 3kvv n LEU 44 N 3.79 2.74 -3.61 5.43 4.77 0.65 -4.92 117.00 125.85 3kvv n LEU 44 Ca 0.05 -0.01 -0.05 0.00 -0.03 0.00 0.00 56.01 55.97 3kvv n LEU 44 Cb 0.51 -0.91 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 3kvv n LEU 44 CO 0.52 0.85 0.80 0.00 -1.33 0.00 0.00 177.39 178.23 3kvv s ALA 45 N -2.52 -1.87 -0.26 -1.18 0.00 -1.02 -5.00 121.76 109.92 3kvv s ALA 45 Ca -0.35 0.80 -0.02 0.00 0.00 0.00 0.00 51.96 52.40 3kvv s ALA 45 Cb 0.10 0.39 0.14 0.00 0.00 0.00 0.00 23.12 23.75 3kvv s ALA 45 CO 0.59 -0.83 0.41 0.45 0.00 0.00 0.00 175.76 176.38 3kvv s SER 46 N -2.64 0.09 -0.00 0.00 0.15 -1.26 -0.94 113.70 109.10 3kvv s SER 46 Ca 0.09 0.19 0.01 0.00 0.70 0.00 0.00 55.95 56.94 3kvv s SER 46 Cb -0.00 1.23 -0.00 0.00 -1.71 0.00 0.00 66.02 65.53 3kvv s SER 46 CO -0.04 -0.31 -0.04 -1.00 1.20 0.00 0.00 173.24 173.06 3kvv s HIS 47 N 2.58 0.34 0.00 3.44 3.76 -0.36 -4.99 115.29 120.05 3kvv s HIS 47 Ca 0.13 -0.06 0.00 0.00 -0.15 0.00 0.00 55.06 54.98 3kvv s HIS 47 Cb -0.15 -0.22 0.00 0.00 1.11 0.00 0.00 32.58 33.32 3kvv s HIS 47 CO -0.19 -0.01 0.00 0.54 -0.85 0.00 0.00 174.74 174.23 3kvv n ARG 48 N 3.03 0.00 -0.16 1.40 1.74 -1.26 -0.03 116.66 121.38 3kvv n ARG 48 Ca -0.13 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 56.99 3kvv n ARG 48 Cb 0.58 0.00 0.12 0.00 -1.02 0.00 0.00 32.46 32.14 3kvv n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3kvv n GLU 49 N 14.00 1.70 -3.40 5.56 0.00 -1.26 -4.74 120.64 132.51 3kvv n GLU 49 Ca 0.00 -0.95 -0.44 0.00 0.00 0.00 0.00 57.16 55.77 3kvv n GLU 49 Cb 0.00 -1.28 -0.06 0.00 0.00 0.00 0.00 31.44 30.09 3kvv n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3kvv s PHE 50 N -1.65 3.30 -0.15 -1.84 0.40 0.95 -3.77 117.98 115.22 3kvv s PHE 50 Ca 0.17 -1.41 -0.02 0.00 -0.60 0.00 0.00 56.93 55.07 3kvv s PHE 50 Cb 0.10 -3.60 -0.02 0.00 0.51 0.00 0.00 43.02 40.00 3kvv s PHE 50 CO 0.11 -0.98 -0.07 0.99 0.70 0.00 0.00 175.22 175.97 3kvv s THR 51 N 1.53 3.53 -0.08 0.64 2.01 -1.26 -1.22 115.64 120.79 3kvv s THR 51 Ca 0.04 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.59 3kvv s THR 51 Cb -0.28 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 69.70 3kvv s THR 51 CO 0.02 0.50 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.37 3kvv s THR 52 N 0.49 1.66 0.22 -0.82 2.01 -0.11 -1.54 115.64 117.55 3kvv s THR 52 Ca -0.06 -0.80 0.10 0.00 0.31 0.00 0.00 61.69 61.25 3kvv s THR 52 Cb -0.15 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 3kvv s THR 52 CO 0.03 0.47 -0.20 0.26 -0.69 0.00 0.00 174.62 174.50 3kvv s TRP 53 N 0.41 2.11 0.05 4.92 0.52 0.22 -0.26 118.94 126.91 3kvv s TRP 53 Ca -0.15 -0.40 0.08 0.00 0.02 0.00 0.00 56.10 55.64 3kvv s TRP 53 Cb -0.16 -0.99 -0.03 0.00 -1.15 0.00 0.00 33.47 31.14 3kvv s TRP 53 CO 0.06 0.52 -0.21 0.50 0.02 0.00 0.00 176.95 177.85 3kvv s ARG 54 N -3.13 1.95 0.00 4.98 3.52 0.07 -1.43 118.95 124.91 3kvv s ARG 54 Ca 0.23 -1.04 0.00 0.00 -0.13 0.00 0.00 55.73 54.79 3kvv s ARG 54 Cb -0.05 -2.12 0.00 0.00 -1.56 0.00 0.00 34.95 31.22 3kvv s ARG 54 CO 0.11 0.53 0.00 0.00 -0.81 0.00 0.00 175.30 175.12 3kvv n ALA 55 N 1.54 0.00 -3.61 6.12 0.00 -0.65 -0.50 120.51 123.41 3kvv n ALA 55 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 3kvv n ALA 55 Cb 0.52 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.81 3kvv n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3kvv s GLU 56 N -1.57 0.86 -0.18 0.00 2.12 0.19 -1.59 118.70 118.51 3kvv s GLU 56 Ca 0.00 -0.12 0.01 0.00 0.36 0.00 0.00 54.97 55.22 3kvv s GLU 56 Cb 0.00 -0.85 0.04 0.00 0.26 0.00 0.00 34.13 33.58 3kvv s GLU 56 CO 0.00 -0.07 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.37 3kvv s LEU 57 N 0.87 2.08 -1.53 2.70 2.96 0.12 -0.97 118.68 124.92 3kvv s LEU 57 Ca -0.12 -0.77 -0.08 0.00 -0.22 0.00 0.00 54.13 52.94 3kvv s LEU 57 Cb -0.14 -1.19 0.07 0.00 0.50 0.00 0.00 46.19 45.42 3kvv s LEU 57 CO 0.00 -0.13 0.62 0.47 -1.32 0.00 0.00 176.35 175.99 3kvv n ASP 58 N 4.72 -1.90 -0.94 3.68 10.43 -1.26 -0.64 116.55 130.64 3kvv n ASP 58 Ca -0.15 -0.98 -0.12 0.00 2.57 0.00 0.00 54.79 56.10 3kvv n ASP 58 Cb 0.47 -3.04 -0.05 0.00 1.84 0.00 0.00 41.12 40.35 3kvv n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3kvv n GLY 59 N -1.74 1.26 3.43 0.44 0.00 -1.26 -5.00 105.19 102.33 3kvv n GLY 59 Ca -0.13 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 3kvv n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kvv s LYS 60 N -2.92 3.01 0.25 1.61 -0.14 0.18 -5.09 119.74 116.65 3kvv s LYS 60 Ca 0.00 -0.67 -0.30 0.00 -1.36 0.00 0.00 55.97 53.64 3kvv s LYS 60 Cb 0.00 -2.54 -0.09 0.00 -1.68 0.00 0.00 37.83 33.51 3kvv s LYS 60 CO 0.00 0.41 1.22 -1.25 -0.76 0.00 0.00 175.35 174.97 3kvv s PRO 61 N -0.16 4.48 0.07 -1.68 0.04 -1.26 0.13 135.00 136.62 3kvv s PRO 61 Ca -0.00 1.98 0.04 0.00 0.04 0.00 0.00 61.00 63.05 3kvv s PRO 61 Cb -0.13 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 3kvv s PRO 61 CO 0.03 -0.06 -0.11 0.08 0.04 0.00 0.00 177.00 176.99 3kvv s VAL 62 N -0.64 0.86 -0.06 -0.36 1.01 -0.62 -4.41 120.40 116.18 3kvv s VAL 62 Ca 0.50 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3kvv s VAL 62 Cb -0.35 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3kvv s VAL 62 CO 0.42 -0.38 -0.04 -0.63 0.00 0.00 0.00 175.10 174.48 3kvv s ILE 63 N -1.68 3.97 -0.20 2.22 -1.09 -0.71 -1.63 121.20 122.08 3kvv s ILE 63 Ca -0.02 -0.43 0.01 0.00 -2.23 0.00 0.00 60.65 57.98 3kvv s ILE 63 Cb -0.08 -2.66 0.03 0.00 -1.58 0.00 0.00 42.46 38.17 3kvv s ILE 63 CO 0.01 0.56 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.42 3kvv s VAL 64 N -0.88 2.17 -0.03 2.92 1.01 -0.51 -0.06 120.40 125.01 3kvv s VAL 64 Ca 0.14 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 3kvv s VAL 64 Cb -0.11 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.30 3kvv s VAL 64 CO 0.03 0.40 0.06 0.00 0.00 0.00 0.00 175.10 175.59 3kvv s SER 66 N 1.58 7.00 -0.01 0.00 1.04 -0.59 -3.73 113.70 119.01 3kvv s SER 66 Ca -0.03 1.65 0.22 0.00 0.48 0.00 0.00 55.95 58.27 3kvv s SER 66 Cb -0.12 -2.52 -0.26 0.00 0.10 0.00 0.00 66.02 63.21 3kvv s SER 66 CO -0.03 -0.27 0.73 0.35 0.98 0.00 0.00 173.24 175.00 3kvv n THR 67 N -0.31 0.01 -1.71 2.02 -2.24 -0.01 -4.35 114.28 107.69 3kvv n THR 67 Ca 0.05 -0.22 0.08 0.00 -2.27 0.00 0.00 64.05 61.69 3kvv n THR 67 Cb 0.53 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 69.29 3kvv n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kvv n GLY 68 N 1.39 -1.93 3.74 3.38 0.00 -0.35 -3.15 105.19 108.28 3kvv n GLY 68 Ca 0.01 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 3kvv n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kvv s ILE 69 N -1.23 4.87 0.00 -0.61 1.01 -1.26 -4.67 121.20 119.31 3kvv s ILE 69 Ca 0.00 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.12 3kvv s ILE 69 Cb 0.00 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.43 3kvv s ILE 69 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.90 3kvv n GLY 70 N 2.61 2.29 0.35 6.18 0.00 -1.25 -4.58 105.19 110.78 3kvv n GLY 70 Ca -0.03 -1.77 0.09 0.00 0.00 0.00 0.00 46.02 44.31 3kvv n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kvv h GLY 71 N 0.00 1.65 0.87 -0.02 0.00 -1.86 -2.12 103.07 101.59 3kvv h GLY 71 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 3kvv h GLY 71 CO 0.00 0.04 0.06 -2.55 0.00 0.00 0.00 176.54 174.09 3kvv h PRO 72 N 0.84 0.31 -0.14 4.80 0.11 -1.94 0.23 132.00 136.22 3kvv h PRO 72 Ca 0.52 -0.07 -0.17 0.00 0.11 0.00 0.00 66.00 66.40 3kvv h PRO 72 Cb 0.68 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 3kvv h PRO 72 CO -0.33 0.41 -0.61 0.66 -0.21 0.00 0.00 178.00 177.93 3kvv h SER 73 N 0.15 0.54 -0.64 -2.05 4.64 -1.79 -2.77 113.55 111.64 3kvv h SER 73 Ca 0.06 -0.31 0.06 0.00 -0.47 0.00 0.00 61.79 61.13 3kvv h SER 73 Cb 0.23 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 62.11 3kvv h SER 73 CO -0.00 1.02 0.34 0.74 -0.87 0.00 0.00 176.83 178.06 3kvv h THR 74 N 0.36 0.95 -0.34 2.95 2.02 -1.25 -1.91 112.91 115.68 3kvv h THR 74 Ca -0.01 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 3kvv h THR 74 Cb 1.16 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3kvv h THR 74 CO 0.11 0.12 0.09 0.77 0.37 0.00 0.00 175.52 176.97 3kvv h SER 75 N 0.64 0.44 -0.08 4.18 4.64 -0.27 -0.80 113.55 122.30 3kvv h SER 75 Ca 0.29 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 3kvv h SER 75 Cb 0.19 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3kvv h SER 75 CO -0.19 0.45 -0.07 0.40 -0.87 0.00 0.00 176.83 176.55 3kvv h ILE 76 N 0.48 1.36 0.01 0.95 2.04 -1.18 -2.11 117.51 119.06 3kvv h ILE 76 Ca 0.12 -1.19 0.02 0.00 1.00 0.00 0.00 64.86 64.80 3kvv h ILE 76 Cb 0.18 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 3kvv h ILE 76 CO -0.00 0.33 -0.09 0.00 0.00 0.00 0.00 178.15 178.39 3kvv h ALA 77 N 0.58 -0.11 -0.39 1.87 0.00 -0.94 -1.44 119.26 118.83 3kvv h ALA 77 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kvv h ALA 77 Cb 0.57 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3kvv h ALA 77 CO 0.02 -0.59 0.26 0.28 0.00 0.00 0.00 179.25 179.22 3kvv h VAL 78 N -0.17 1.10 0.11 0.00 2.07 -1.23 -0.04 116.25 118.09 3kvv h VAL 78 Ca 0.03 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3kvv h VAL 78 Cb 0.21 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3kvv h VAL 78 CO -0.09 0.10 -0.08 -0.08 0.02 0.00 0.00 177.57 177.44 3kvv h GLU 79 N 0.53 -0.18 -0.34 1.57 4.57 -1.23 -0.09 114.58 119.41 3kvv h GLU 79 Ca 0.14 0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.19 3kvv h GLU 79 Cb -0.06 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 3kvv h GLU 79 CO -0.03 -0.12 -0.36 0.93 -1.18 0.00 0.00 179.01 178.25 3kvv h GLU 80 N -0.19 0.77 -0.91 1.92 5.08 -1.17 -0.51 114.58 119.58 3kvv h GLU 80 Ca -0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3kvv h GLU 80 Cb 0.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3kvv h GLU 80 CO -0.00 1.00 0.57 -0.07 -1.00 0.00 0.00 179.01 179.51 3kvv h LEU 81 N 0.64 1.07 -0.98 1.33 3.38 -0.88 -2.39 115.31 117.49 3kvv h LEU 81 Ca 0.06 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3kvv h LEU 81 Cb 0.90 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3kvv h LEU 81 CO 0.08 0.81 0.36 0.00 0.09 0.00 0.00 178.44 179.78 3kvv h ALA 82 N 1.31 1.20 0.00 1.53 0.00 -0.50 -1.04 119.26 121.76 3kvv h ALA 82 Ca 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3kvv h ALA 82 Cb -0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 3kvv h ALA 82 CO -0.07 0.61 -0.08 1.96 0.00 0.00 0.00 179.25 181.67 3kvv h GLN 83 N 1.08 0.00 -0.02 0.00 4.20 -0.65 -2.38 115.11 117.34 3kvv h GLN 83 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3kvv h GLN 83 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3kvv h GLN 83 CO -0.03 0.08 -0.08 1.28 -0.67 0.00 0.00 178.83 179.41 3kvv n LEU 84 N -4.20 1.81 0.00 1.46 4.77 -0.76 -4.94 117.00 115.14 3kvv n LEU 84 Ca -0.03 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3kvv n LEU 84 Cb 0.17 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3kvv n LEU 84 CO 0.33 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3kvv n GLY 85 N 1.26 1.34 3.73 -0.72 0.00 -0.85 -4.83 105.19 105.12 3kvv n GLY 85 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3kvv n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kvv s ILE 86 N -2.00 3.17 0.00 -0.61 -1.09 -0.47 -4.54 121.20 115.67 3kvv s ILE 86 Ca 0.00 0.91 0.00 0.00 -2.23 0.00 0.00 60.65 59.33 3kvv s ILE 86 Cb 0.00 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 3kvv s ILE 86 CO 0.00 0.11 0.00 0.54 -1.23 0.00 0.00 174.94 174.36 3kvv n ARG 87 N 3.12 0.39 -4.92 2.79 5.12 0.11 -4.20 116.66 119.07 3kvv n ARG 87 Ca 0.08 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.72 3kvv n ARG 87 Cb 0.42 -0.97 -0.16 0.00 -1.16 0.00 0.00 32.46 30.59 3kvv n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3kvv s THR 88 N -1.90 1.59 -0.07 0.55 2.01 -0.73 -1.21 115.64 115.87 3kvv s THR 88 Ca 0.00 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.25 3kvv s THR 88 Cb 0.00 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.14 3kvv s THR 88 CO 0.00 0.45 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.90 3kvv s PHE 89 N 0.28 1.57 -0.23 4.92 0.40 0.97 -1.05 117.98 124.84 3kvv s PHE 89 Ca -0.11 -0.62 0.02 0.00 -0.60 0.00 0.00 56.93 55.62 3kvv s PHE 89 Cb -0.15 -1.15 0.05 0.00 0.51 0.00 0.00 43.02 42.28 3kvv s PHE 89 CO 0.05 -0.32 -0.13 -0.51 0.70 0.00 0.00 175.22 175.01 3kvv s LEU 90 N 0.76 2.88 0.02 -0.37 1.43 -0.35 -1.33 118.68 121.72 3kvv s LEU 90 Ca -0.13 -1.11 -0.22 0.00 -1.03 0.00 0.00 54.13 51.64 3kvv s LEU 90 Cb -0.16 -1.46 -0.06 0.00 0.03 0.00 0.00 46.19 44.55 3kvv s LEU 90 CO 0.03 -0.14 0.66 -0.60 0.23 0.00 0.00 176.35 176.53 3kvv s ARG 91 N 1.21 4.38 -0.14 1.70 3.52 -0.47 -0.21 118.95 128.95 3kvv s ARG 91 Ca -0.04 0.86 0.01 0.00 -0.13 0.00 0.00 55.73 56.44 3kvv s ARG 91 Cb -0.18 -3.34 0.02 0.00 -1.56 0.00 0.00 34.95 29.89 3kvv s ARG 91 CO -0.08 0.37 -0.18 -1.50 -0.81 0.00 0.00 175.30 173.10 3kvv s ILE 92 N -0.25 1.80 0.23 4.11 -1.16 -1.23 -1.38 121.20 123.32 3kvv s ILE 92 Ca 0.34 -0.80 0.04 0.00 -0.51 0.00 0.00 60.65 59.71 3kvv s ILE 92 Cb -0.19 -1.63 -0.01 0.00 0.61 0.00 0.00 42.46 41.23 3kvv s ILE 92 CO 0.20 0.50 0.14 0.61 -2.81 0.00 0.00 174.94 173.58 3kvv n GLY 93 N 4.37 3.42 3.49 1.50 0.00 -0.46 -4.00 105.19 113.52 3kvv n GLY 93 Ca -0.19 -1.90 -0.27 0.00 0.00 0.00 0.00 46.02 43.66 3kvv n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kvv s THR 94 N -2.71 2.75 0.08 2.61 -4.23 -1.26 -0.76 115.64 112.12 3kvv s THR 94 Ca 0.20 -1.88 -0.18 0.00 -1.18 0.00 0.00 61.69 58.65 3kvv s THR 94 Cb 0.01 -2.35 0.04 0.00 1.34 0.00 0.00 72.50 71.54 3kvv s THR 94 CO 0.14 -0.13 0.44 0.42 -0.54 0.00 0.00 174.62 174.95 3kvv s THR 95 N -1.73 0.05 -0.31 3.99 -4.23 -0.79 -4.85 115.64 107.78 3kvv s THR 95 Ca 0.23 -0.44 -0.11 0.00 -1.18 0.00 0.00 61.69 60.19 3kvv s THR 95 Cb -0.08 -1.04 -0.03 0.00 1.34 0.00 0.00 72.50 72.69 3kvv s THR 95 CO 0.13 -0.24 0.19 -0.83 -0.54 0.00 0.00 174.62 173.33 3kvv s GLY 96 N -2.34 1.92 0.44 3.99 0.00 -1.14 -1.38 107.32 108.82 3kvv s GLY 96 Ca -0.02 -1.26 -0.22 0.00 0.00 0.00 0.00 44.72 43.22 3kvv s GLY 96 CO -0.06 0.70 1.06 0.00 0.00 0.00 0.00 173.10 174.80 3kvv s ALA 97 N 1.71 2.98 0.00 3.20 0.00 0.68 -1.72 121.76 128.62 3kvv s ALA 97 Ca 0.06 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3kvv s ALA 97 Cb -0.17 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3kvv s ALA 97 CO 0.09 -0.33 0.81 0.44 0.00 0.00 0.00 175.76 176.78 3kvv n ILE 98 N -0.47 0.65 -4.36 0.00 -5.35 -0.09 -0.94 119.36 108.80 3kvv n ILE 98 Ca 0.07 -0.78 -0.34 0.00 -0.27 0.00 0.00 62.75 61.43 3kvv n ILE 98 Cb 0.50 0.70 -0.11 0.00 -1.74 0.00 0.00 39.64 39.00 3kvv n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3kvv s GLN 99 N -0.65 3.40 0.53 6.28 -1.52 -1.25 -4.82 119.66 121.62 3kvv s GLN 99 Ca 0.00 -0.46 0.24 0.00 -1.95 0.00 0.00 55.36 53.20 3kvv s GLN 99 Cb 0.00 -2.89 1.45 0.00 -0.22 0.00 0.00 33.01 31.35 3kvv s GLN 99 CO 0.00 0.45 2.11 -1.35 -0.25 0.00 0.00 175.29 176.25 3kvv h PRO 100 N 6.03 0.00 0.00 2.91 0.11 -1.97 -2.01 132.00 137.08 3kvv h PRO 100 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kvv h PRO 100 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kvv h PRO 100 CO 0.60 0.09 0.00 -2.39 -0.21 0.00 0.00 178.00 176.09 3kvv n HIS 101 N -3.90 0.00 -3.68 0.65 1.44 -1.26 -4.72 115.22 103.75 3kvv n HIS 101 Ca -0.02 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.32 3kvv n HIS 101 Cb 0.19 -0.08 -0.12 0.00 0.12 0.00 0.00 29.99 30.09 3kvv n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3kvv s ILE 102 N -2.17 4.74 0.07 0.61 1.01 -0.76 -5.09 121.20 119.62 3kvv s ILE 102 Ca 0.41 -0.03 -0.15 0.00 0.00 0.00 0.00 60.65 60.88 3kvv s ILE 102 Cb 0.21 -3.24 -0.06 0.00 0.01 0.00 0.00 42.46 39.38 3kvv s ILE 102 CO 0.38 0.30 0.48 0.20 0.00 0.00 0.00 174.94 176.30 3kvv s ASN 103 N 1.68 6.84 0.06 3.58 0.01 -1.26 -4.89 114.94 120.95 3kvv s ASN 103 Ca 0.07 1.03 -0.37 0.00 -0.71 0.00 0.00 52.86 52.88 3kvv s ASN 103 Cb -0.15 -2.27 -0.17 0.00 0.41 0.00 0.00 41.25 39.06 3kvv s ASN 103 CO 0.07 0.23 1.34 0.52 -1.51 0.00 0.00 177.10 177.75 3kvv n VAL 104 N 1.36 0.02 0.00 1.60 0.31 -1.26 -0.47 118.33 119.89 3kvv n VAL 104 Ca -0.10 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 3kvv n VAL 104 Cb 0.52 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 3kvv n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kvv n GLY 105 N 2.55 3.15 3.59 2.92 0.00 0.42 -5.00 105.19 112.81 3kvv n GLY 105 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3kvv n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kvv s ASP 106 N -1.15 2.06 -0.09 1.61 1.01 0.38 -4.67 116.67 115.83 3kvv s ASP 106 Ca 0.00 1.65 0.04 0.00 0.71 0.00 0.00 52.55 54.95 3kvv s ASP 106 Cb 0.00 -2.31 -0.01 0.00 1.01 0.00 0.00 42.92 41.61 3kvv s ASP 106 CO 0.00 -3.55 -0.20 0.68 0.21 0.00 0.00 175.17 172.30 3kvv s VAL 107 N -2.64 2.44 -0.14 -1.27 -7.23 -0.46 -1.66 120.40 109.45 3kvv s VAL 107 Ca 0.67 -0.90 -0.02 0.00 -1.81 0.00 0.00 61.98 59.92 3kvv s VAL 107 Cb -0.23 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 3kvv s VAL 107 CO 0.61 0.56 -0.08 -0.76 -0.31 0.00 0.00 175.10 175.11 3kvv s LEU 108 N 0.05 2.99 -0.18 1.32 1.43 -0.18 -1.75 118.68 122.36 3kvv s LEU 108 Ca -0.08 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 52.75 3kvv s LEU 108 Cb -0.15 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 3kvv s LEU 108 CO 0.05 0.18 0.01 -0.69 0.23 0.00 0.00 176.35 176.13 3kvv s VAL 109 N 0.30 4.23 -0.26 -1.59 1.01 -0.14 -1.25 120.40 122.70 3kvv s VAL 109 Ca -0.07 -0.23 -0.14 0.00 0.00 0.00 0.00 61.98 61.55 3kvv s VAL 109 Cb -0.15 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3kvv s VAL 109 CO 0.04 0.46 0.31 -0.89 0.00 0.00 0.00 175.10 175.02 3kvv s THR 110 N 0.52 5.23 0.04 3.92 2.01 -0.65 -1.66 115.64 125.06 3kvv s THR 110 Ca -0.00 0.45 -0.03 0.00 0.31 0.00 0.00 61.69 62.41 3kvv s THR 110 Cb -0.14 -3.64 -0.28 0.00 0.01 0.00 0.00 72.50 68.46 3kvv s THR 110 CO 0.02 0.21 1.01 0.71 -0.69 0.00 0.00 174.62 175.88 3kvv h THR 111 N 5.29 1.33 -2.50 -0.82 1.35 -1.29 -3.41 112.91 112.87 3kvv h THR 111 Ca -0.34 -2.94 0.08 0.00 -0.55 0.00 0.00 66.41 62.66 3kvv h THR 111 Cb 1.17 2.85 -0.14 0.00 -1.73 0.00 0.00 68.15 70.30 3kvv h THR 111 CO 0.63 0.85 0.41 0.00 -0.25 0.00 0.00 175.52 177.16 3kvv s ALA 112 N -2.64 -1.74 0.08 6.62 0.00 -1.26 -0.99 121.76 121.84 3kvv s ALA 112 Ca -0.06 0.78 0.09 0.00 0.00 0.00 0.00 51.96 52.77 3kvv s ALA 112 Cb 0.07 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.73 3kvv s ALA 112 CO 0.87 -0.74 -0.25 -1.12 0.00 0.00 0.00 175.76 174.51 3kvv s SER 113 N -2.60 3.02 0.04 0.00 0.01 0.04 -1.90 113.70 112.31 3kvv s SER 113 Ca 0.05 -0.64 -0.30 0.00 1.31 0.00 0.00 55.95 56.36 3kvv s SER 113 Cb -0.01 -0.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 3kvv s SER 113 CO -0.09 0.19 1.16 -0.69 0.41 0.00 0.00 173.24 174.23 3kvv s VAL 114 N -0.93 4.19 -1.01 3.43 1.01 0.11 -4.32 120.40 122.87 3kvv s VAL 114 Ca 0.11 1.57 -0.16 0.00 0.00 0.00 0.00 61.98 63.49 3kvv s VAL 114 Cb -0.10 -4.00 0.16 0.00 0.00 0.00 0.00 36.38 32.43 3kvv s VAL 114 CO 0.04 0.11 1.19 -0.13 0.00 0.00 0.00 175.10 176.31 3kvv s ARG 115 N 1.14 3.77 -0.43 2.72 0.52 -1.26 -1.70 118.95 123.72 3kvv s ARG 115 Ca 0.57 -2.12 0.05 0.00 -0.52 0.00 0.00 55.73 53.71 3kvv s ARG 115 Cb -0.28 -4.91 0.59 0.00 0.52 0.00 0.00 34.95 30.88 3kvv s ARG 115 CO 0.28 -1.71 1.78 1.28 0.02 0.00 0.00 175.30 176.95 3kvv n LEU 116 N 5.92 6.05 -4.65 2.53 4.77 -0.42 -4.96 117.00 126.24 3kvv n LEU 116 Ca 0.27 -3.78 -0.29 0.00 -0.03 0.00 0.00 56.01 52.18 3kvv n LEU 116 Cb 0.47 -0.78 -0.10 0.00 -2.33 0.00 0.00 43.42 40.68 3kvv n LEU 116 CO 0.52 1.20 -0.28 1.51 -1.33 0.00 0.00 177.39 179.02 3kvv s ASP 117 N -1.80 3.83 -0.18 -1.43 -4.77 -1.21 -1.75 116.67 109.35 3kvv s ASP 117 Ca 0.54 -1.47 0.13 0.00 -3.30 0.00 0.00 52.55 48.45 3kvv s ASP 117 Cb 0.46 -0.07 -0.20 0.00 -1.09 0.00 0.00 42.92 42.03 3kvv s ASP 117 CO 0.06 -0.60 0.01 0.61 0.70 0.00 0.00 175.17 175.95 3kvv n GLY 118 N -1.04 -0.74 0.22 2.12 0.00 -1.26 -4.62 105.19 99.87 3kvv n GLY 118 Ca -0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 3kvv n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvv h ALA 119 N 0.68 1.24 -0.36 4.61 0.00 -1.98 -2.29 119.26 121.16 3kvv h ALA 119 Ca -0.47 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.16 3kvv h ALA 119 Cb 2.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 3kvv h ALA 119 CO 0.01 0.51 0.24 0.66 0.00 0.00 0.00 179.25 180.67 3kvv h SER 120 N 0.26 0.26 0.80 0.00 4.64 -1.86 -0.48 113.55 117.17 3kvv h SER 120 Ca 0.04 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3kvv h SER 120 Cb 0.64 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3kvv h SER 120 CO 0.05 0.18 0.00 -0.07 -0.87 0.00 0.00 176.83 176.11 3kvv h LEU 121 N 0.30 0.00 -0.13 5.97 3.38 -1.54 -1.36 115.31 121.94 3kvv h LEU 121 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3kvv h LEU 121 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3kvv h LEU 121 CO -0.03 0.00 -0.06 1.41 0.09 0.00 0.00 178.44 179.85 3kvv n HIS 122 N -2.60 0.00 -0.02 1.13 8.25 -0.19 -3.85 115.22 117.94 3kvv n HIS 122 Ca 0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.45 3kvv n HIS 122 Cb 0.25 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 3kvv n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3kvv n PHE 123 N -1.07 0.00 -3.58 4.41 3.01 -0.57 -5.08 117.46 114.59 3kvv n PHE 123 Ca 0.15 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.45 3kvv n PHE 123 Cb 0.25 -0.18 -0.07 0.00 -0.01 0.00 0.00 39.48 39.47 3kvv n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kvv s ALA 124 N -2.09 -1.62 0.84 4.37 0.00 -0.87 -5.00 121.76 117.39 3kvv s ALA 124 Ca -0.03 1.36 -0.11 0.00 0.00 0.00 0.00 51.96 53.19 3kvv s ALA 124 Cb 0.01 -0.30 0.10 0.00 0.00 0.00 0.00 23.12 22.93 3kvv s ALA 124 CO 0.14 -0.34 1.10 -1.25 0.00 0.00 0.00 175.76 175.41 3kvv s PRO 125 N -0.76 1.67 0.51 0.00 0.04 -1.26 -3.98 135.00 131.21 3kvv s PRO 125 Ca -0.08 1.17 0.22 0.00 0.04 0.00 0.00 61.00 62.35 3kvv s PRO 125 Cb -0.02 -1.83 1.31 0.00 0.04 0.00 0.00 34.50 34.00 3kvv s PRO 125 CO 0.07 -2.06 2.01 1.25 0.04 0.00 0.00 177.00 178.31 3kvv h LEU 126 N -1.43 0.07 -0.98 -3.56 5.85 -1.94 -1.42 115.31 111.90 3kvv h LEU 126 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3kvv h LEU 126 Cb 1.25 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3kvv h LEU 126 CO 0.50 0.04 0.00 1.05 -0.34 0.00 0.00 178.44 179.69 3kvv h GLU 127 N 0.08 0.00 -6.58 1.25 9.09 -2.03 -3.43 114.58 112.97 3kvv h GLU 127 Ca 0.23 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 59.11 3kvv h GLU 127 Cb 0.79 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.90 3kvv h GLU 127 CO -0.02 0.00 0.49 0.12 0.05 0.00 0.00 179.01 179.65 3kvv s PHE 128 N -3.43 3.55 0.19 2.06 2.19 -0.54 -5.00 117.98 117.01 3kvv s PHE 128 Ca 0.03 1.51 -0.30 0.00 0.33 0.00 0.00 56.93 58.50 3kvv s PHE 128 Cb 0.09 -3.31 -0.08 0.00 -1.31 0.00 0.00 43.02 38.41 3kvv s PHE 128 CO 0.40 -0.77 1.00 -1.25 1.83 0.00 0.00 175.22 176.43 3kvv s PRO 129 N 0.24 4.73 -1.43 10.12 0.04 -1.26 -4.94 135.00 142.50 3kvv s PRO 129 Ca 0.53 1.56 -0.14 0.00 0.04 0.00 0.00 61.00 62.99 3kvv s PRO 129 Cb -0.29 -3.30 0.06 0.00 0.04 0.00 0.00 34.50 31.01 3kvv s PRO 129 CO 0.32 0.30 2.16 0.00 0.04 0.00 0.00 177.00 179.82 3kvv n ALA 130 N 2.04 5.43 -2.79 8.56 0.00 -1.26 -4.75 120.51 127.74 3kvv n ALA 130 Ca 0.00 -3.94 -0.36 0.00 0.00 0.00 0.00 53.44 49.15 3kvv n ALA 130 Cb 0.47 -3.47 -0.08 0.00 0.00 0.00 0.00 19.45 16.38 3kvv n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kvv s VAL 131 N 2.87 4.97 0.55 0.00 0.11 -1.26 -0.78 120.40 126.86 3kvv s VAL 131 Ca 0.46 0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 59.35 3kvv s VAL 131 Cb 0.13 -3.15 -0.06 0.00 -1.53 0.00 0.00 36.38 31.77 3kvv s VAL 131 CO -0.07 0.59 1.04 0.00 -3.33 0.00 0.00 175.10 173.33 3kvv s ALA 132 N -0.78 2.84 0.21 1.54 0.00 -0.16 -4.67 121.76 120.74 3kvv s ALA 132 Ca 0.13 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.17 3kvv s ALA 132 Cb -0.12 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 3kvv s ALA 132 CO 0.03 -0.58 1.38 0.34 0.00 0.00 0.00 175.76 176.94 3kvv s ASP 133 N -2.68 6.77 0.21 0.00 2.15 0.05 -4.92 116.67 118.25 3kvv s ASP 133 Ca 0.63 2.51 -0.09 0.00 0.43 0.00 0.00 52.55 56.03 3kvv s ASP 133 Cb -0.15 -2.61 0.20 0.00 -0.30 0.00 0.00 42.92 40.06 3kvv s ASP 133 CO 0.32 -0.62 1.86 0.15 -0.17 0.00 0.00 175.17 176.70 3kvv h PHE 134 N 5.44 0.88 -0.46 -5.34 3.04 -1.95 -0.84 116.94 117.70 3kvv h PHE 134 Ca -0.45 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.49 3kvv h PHE 134 Cb 1.21 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 39.41 3kvv h PHE 134 CO 0.62 0.51 0.15 0.93 -2.02 0.00 0.00 178.31 178.50 3kvv h GLU 135 N 0.92 0.71 -0.54 1.11 5.08 -1.96 0.28 114.58 120.19 3kvv h GLU 135 Ca 0.29 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3kvv h GLU 135 Cb -0.00 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3kvv h GLU 135 CO -0.10 0.68 0.23 0.00 -1.00 0.00 0.00 179.01 178.81 3kvv h THR 137 N 0.73 1.22 -0.30 0.00 2.02 -1.01 -0.82 112.91 114.75 3kvv h THR 137 Ca 0.18 -0.75 0.02 0.00 0.77 0.00 0.00 66.41 66.63 3kvv h THR 137 Cb 0.17 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3kvv h THR 137 CO -0.02 0.26 0.15 0.74 0.37 0.00 0.00 175.52 177.02 3kvv h THR 138 N 0.51 0.99 -0.89 3.16 2.02 -0.71 -1.49 112.91 116.50 3kvv h THR 138 Ca 0.13 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.23 3kvv h THR 138 Cb 0.28 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 3kvv h THR 138 CO -0.00 0.06 0.58 0.00 0.37 0.00 0.00 175.52 176.53 3kvv h ALA 139 N 1.16 1.43 -0.36 6.16 0.00 -0.59 -1.20 119.26 125.85 3kvv h ALA 139 Ca 0.13 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3kvv h ALA 139 Cb 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3kvv h ALA 139 CO -0.09 0.50 -0.36 -0.07 0.00 0.00 0.00 179.25 179.23 3kvv h LEU 140 N 1.13 0.89 -0.17 0.00 3.38 -0.74 -1.34 115.31 118.47 3kvv h LEU 140 Ca 0.35 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3kvv h LEU 140 Cb -0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3kvv h LEU 140 CO -0.10 1.15 -0.05 0.58 0.09 0.00 0.00 178.44 180.12 3kvv h VAL 141 N 0.70 1.29 -0.86 1.22 2.07 -0.99 -1.53 116.25 118.16 3kvv h VAL 141 Ca 0.06 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3kvv h VAL 141 Cb 0.93 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 3kvv h VAL 141 CO 0.09 0.31 0.55 -0.33 0.02 0.00 0.00 177.57 178.20 3kvv h GLU 142 N 0.03 1.14 -0.10 1.57 5.08 -1.23 0.31 114.58 121.38 3kvv h GLU 142 Ca 0.04 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3kvv h GLU 142 Cb 0.49 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3kvv h GLU 142 CO 0.02 0.77 0.05 0.00 -1.00 0.00 0.00 179.01 178.85 3kvv h ALA 143 N 1.30 0.12 -0.56 3.43 0.00 -1.22 0.21 119.26 122.54 3kvv h ALA 143 Ca 0.31 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.24 3kvv h ALA 143 Cb -0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 3kvv h ALA 143 CO -0.06 -0.33 0.20 0.00 0.00 0.00 0.00 179.25 179.06 3kvv h ALA 144 N 0.94 0.71 -0.50 0.00 0.00 -0.94 -1.03 119.26 118.44 3kvv h ALA 144 Ca 0.03 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3kvv h ALA 144 Cb 0.10 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3kvv h ALA 144 CO -0.00 -0.20 0.30 -0.22 0.00 0.00 0.00 179.25 179.12 3kvv h LYS 145 N 0.38 0.57 -0.51 0.00 3.64 -0.62 -1.77 116.57 118.26 3kvv h LYS 145 Ca 0.28 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.73 3kvv h LYS 145 Cb 0.33 -0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 31.93 3kvv h LYS 145 CO -0.28 0.38 -0.03 1.03 -2.27 0.00 0.00 179.45 178.27 3kvv h SER 146 N 0.59 -0.28 -0.24 4.20 0.87 0.69 -1.82 113.55 117.55 3kvv h SER 146 Ca 0.20 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 3kvv h SER 146 Cb 0.03 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3kvv h SER 146 CO -0.10 -0.10 0.00 2.30 -0.53 0.00 0.00 176.83 178.40 3kvv n ILE 147 N -5.27 0.31 -1.29 2.23 -5.35 -0.79 -4.95 119.36 104.26 3kvv n ILE 147 Ca 0.06 -0.48 -0.09 0.00 -0.27 0.00 0.00 62.75 61.97 3kvv n ILE 147 Cb 0.28 0.57 -0.04 0.00 -1.74 0.00 0.00 39.64 38.71 3kvv n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kvv n GLY 148 N 1.25 0.99 3.79 3.28 0.00 -0.69 -5.01 105.19 108.81 3kvv n GLY 148 Ca 0.17 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 3kvv n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvv s ALA 149 N -2.32 2.81 -0.15 4.61 0.00 -1.05 -4.98 121.76 120.68 3kvv s ALA 149 Ca 0.00 0.61 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 3kvv s ALA 149 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 3kvv s ALA 149 CO 0.00 -0.50 1.31 0.99 0.00 0.00 0.00 175.76 177.56 3kvv s THR 150 N -2.03 4.19 -0.01 0.00 2.01 -1.26 -4.77 115.64 113.77 3kvv s THR 150 Ca 0.68 1.45 0.04 0.00 0.31 0.00 0.00 61.69 64.16 3kvv s THR 150 Cb -0.18 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 3kvv s THR 150 CO 0.25 -0.12 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.03 3kvv s THR 151 N 3.50 1.04 0.00 -0.82 2.01 -1.26 -1.36 115.64 118.75 3kvv s THR 151 Ca 0.57 -0.56 0.06 0.00 0.31 0.00 0.00 61.69 62.07 3kvv s THR 151 Cb -0.23 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 3kvv s THR 151 CO 0.17 0.30 -0.20 -1.00 -0.69 0.00 0.00 174.62 173.19 3kvv s HIS 152 N -0.30 1.79 -0.12 4.92 3.76 -0.72 -4.99 115.29 119.63 3kvv s HIS 152 Ca 0.05 -0.35 0.03 0.00 -0.15 0.00 0.00 55.06 54.64 3kvv s HIS 152 Cb -0.05 -1.13 -0.00 0.00 1.11 0.00 0.00 32.58 32.51 3kvv s HIS 152 CO -0.00 0.00 -0.22 0.08 -0.85 0.00 0.00 174.74 173.75 3kvv s VAL 153 N -0.56 2.22 -2.91 -0.90 1.01 -1.26 -0.96 120.40 117.04 3kvv s VAL 153 Ca 0.08 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.11 3kvv s VAL 153 Cb -0.08 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.43 3kvv s VAL 153 CO -0.00 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3kvv n GLY 154 N 3.66 -0.54 3.85 4.51 0.00 -0.66 -4.96 105.19 111.05 3kvv n GLY 154 Ca -0.19 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 3kvv n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kvv s VAL 155 N -3.15 4.98 -0.00 1.61 1.01 -1.26 -0.77 120.40 122.81 3kvv s VAL 155 Ca 0.00 0.73 0.07 0.00 0.00 0.00 0.00 61.98 62.78 3kvv s VAL 155 Cb 0.00 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 3kvv s VAL 155 CO 0.00 0.37 -0.23 -0.89 0.00 0.00 0.00 175.10 174.34 3kvv s THR 156 N -1.32 1.86 -0.24 3.92 2.01 -0.80 -0.78 115.64 120.29 3kvv s THR 156 Ca 0.32 -1.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.08 3kvv s THR 156 Cb -0.15 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 3kvv s THR 156 CO 0.17 0.47 0.52 0.00 -0.69 0.00 0.00 174.62 175.09 3kvv s ALA 157 N -0.60 3.58 -0.30 7.40 0.00 0.06 0.05 121.76 131.94 3kvv s ALA 157 Ca 0.09 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.49 3kvv s ALA 157 Cb -0.09 -2.86 0.05 0.00 0.00 0.00 0.00 23.12 20.21 3kvv s ALA 157 CO -0.00 -0.65 0.01 0.45 0.00 0.00 0.00 175.76 175.57 3kvv s SER 158 N 1.42 4.91 -0.03 0.00 0.15 -0.69 -1.79 113.70 117.67 3kvv s SER 158 Ca 0.22 -1.22 0.02 0.00 0.70 0.00 0.00 55.95 55.67 3kvv s SER 158 Cb -0.16 -1.73 -0.03 0.00 -1.71 0.00 0.00 66.02 62.39 3kvv s SER 158 CO 0.09 -0.26 -0.07 -0.55 1.20 0.00 0.00 173.24 173.65 3kvv s SER 159 N 1.28 4.58 0.00 5.45 0.15 -0.18 -1.30 113.70 123.68 3kvv s SER 159 Ca -0.04 -0.09 0.19 0.00 0.70 0.00 0.00 55.95 56.70 3kvv s SER 159 Cb -0.19 -1.10 0.87 0.00 -1.71 0.00 0.00 66.02 63.89 3kvv s SER 159 CO -0.01 0.33 1.59 0.47 1.20 0.00 0.00 173.24 176.81 3kvv n ASP 160 N 1.93 0.00 -4.21 5.45 9.92 -0.72 -4.37 116.55 124.55 3kvv n ASP 160 Ca -0.17 0.26 -0.20 0.00 -0.53 0.00 0.00 54.79 54.15 3kvv n ASP 160 Cb 0.53 -0.39 -0.12 0.00 -0.64 0.00 0.00 41.12 40.50 3kvv n ASP 160 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3kvv s THR 161 N -2.78 1.28 0.09 -3.53 2.01 -1.26 -5.01 115.64 106.43 3kvv s THR 161 Ca 0.13 -1.42 0.04 0.00 0.31 0.00 0.00 61.69 60.75 3kvv s THR 161 Cb 0.12 -1.25 -0.23 0.00 0.01 0.00 0.00 72.50 71.15 3kvv s THR 161 CO 0.31 -0.22 1.16 0.15 -0.69 0.00 0.00 174.62 175.33 3kvv h PHE 162 N 4.12 0.14 0.00 4.92 3.57 -1.96 -3.38 116.94 124.35 3kvv h PHE 162 Ca -0.42 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 60.98 3kvv h PHE 162 Cb 1.19 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.92 3kvv h PHE 162 CO 0.63 1.09 0.00 0.66 -2.23 0.00 0.00 178.31 178.46 3kvv n TYR 163 N -3.37 0.00 0.11 0.41 4.02 -1.26 -4.23 117.16 112.84 3kvv n TYR 163 Ca -0.05 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.84 3kvv n TYR 163 Cb 0.98 0.00 0.28 0.00 -0.02 0.00 0.00 39.34 40.57 3kvv n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3kvv h PRO 164 N 0.00 0.19 0.00 -0.72 0.13 -1.88 -0.84 132.00 128.88 3kvv h PRO 164 Ca 0.00 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3kvv h PRO 164 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 3kvv h PRO 164 CO 0.00 0.53 0.00 0.78 -0.23 0.00 0.00 178.00 179.08 3kvv h GLY 165 N 1.13 0.00 -2.14 1.56 0.00 -1.86 0.27 103.07 102.02 3kvv h GLY 165 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3kvv h GLY 165 CO 0.05 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.53 3kvv n GLN 166 N -2.88 3.42 -4.10 4.80 6.02 -0.75 -4.92 117.38 118.98 3kvv n GLN 166 Ca -0.00 -2.79 -0.29 0.00 -0.01 0.00 0.00 57.00 53.90 3kvv n GLN 166 Cb 0.20 -1.85 -0.04 0.00 1.02 0.00 0.00 30.24 29.58 3kvv n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3kvv n GLU 167 N 0.11 -2.77 -3.00 -1.09 2.13 0.08 -4.92 120.64 111.17 3kvv n GLU 167 Ca 0.22 0.33 -0.40 0.00 0.66 0.00 0.00 57.16 57.97 3kvv n GLU 167 Cb 0.88 -4.49 -0.05 0.00 0.27 0.00 0.00 31.44 28.06 3kvv n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3kvv s ARG 168 N -6.81 4.47 0.00 5.31 0.52 -0.40 -4.97 118.95 117.07 3kvv s ARG 168 Ca 0.19 1.01 0.14 0.00 -0.52 0.00 0.00 55.73 56.54 3kvv s ARG 168 Cb -0.10 -3.39 -0.06 0.00 0.52 0.00 0.00 34.95 31.92 3kvv s ARG 168 CO 0.92 0.22 0.72 0.66 0.02 0.00 0.00 175.30 177.84 3kvv n TYR 169 N 3.10 0.00 -1.47 -0.53 4.02 -1.26 -4.44 117.16 116.57 3kvv n TYR 169 Ca -0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.47 3kvv n TYR 169 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.81 3kvv n TYR 169 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3kvv n ASP 170 N -0.58 6.75 -3.98 7.72 5.75 -1.26 -4.21 116.55 126.74 3kvv n ASP 170 Ca 0.05 -2.68 -0.22 0.00 -0.01 0.00 0.00 54.79 51.93 3kvv n ASP 170 Cb 0.27 -1.60 -0.09 0.00 -1.03 0.00 0.00 41.12 38.68 3kvv n ASP 170 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3kvv s THR 171 N 2.61 0.44 0.12 2.12 -4.23 -1.26 -5.02 115.64 110.42 3kvv s THR 171 Ca 0.60 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.90 3kvv s THR 171 Cb 0.16 -2.45 -0.06 0.00 1.34 0.00 0.00 72.50 71.49 3kvv s THR 171 CO -0.07 0.00 1.70 0.22 -0.54 0.00 0.00 174.62 175.93 3kvv h TYR 172 N 2.01 -0.14 0.01 3.99 5.03 -1.99 -3.03 116.97 122.86 3kvv h TYR 172 Ca -0.33 0.01 -0.23 0.00 2.58 0.00 0.00 58.73 60.76 3kvv h TYR 172 Cb 1.26 0.08 -0.03 0.00 1.55 0.00 0.00 36.73 39.59 3kvv h TYR 172 CO 1.31 -0.10 -1.15 0.66 -1.32 0.00 0.00 178.16 177.56 3kvv h SER 173 N -0.05 0.04 -0.40 -2.11 4.64 -1.97 -3.47 113.55 110.22 3kvv h SER 173 Ca 0.07 -0.05 -0.17 0.00 -0.47 0.00 0.00 61.79 61.17 3kvv h SER 173 Cb 0.16 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.16 3kvv h SER 173 CO -0.16 1.04 -0.16 0.61 -0.87 0.00 0.00 176.83 177.30 3kvv n GLY 174 N 1.41 1.00 3.29 -0.77 0.00 -1.15 -5.00 105.19 103.97 3kvv n GLY 174 Ca -0.04 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.44 3kvv n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kvv s ARG 175 N -2.49 1.25 -0.04 1.61 1.70 -1.26 -4.91 118.95 114.80 3kvv s ARG 175 Ca 0.00 -1.62 0.02 0.00 -0.47 0.00 0.00 55.73 53.66 3kvv s ARG 175 Cb 0.00 -0.47 0.01 0.00 -0.57 0.00 0.00 34.95 33.92 3kvv s ARG 175 CO 0.00 -0.11 -0.09 0.08 -1.08 0.00 0.00 175.30 174.10 3kvv s VAL 176 N -3.52 0.85 0.54 4.99 1.01 -1.26 -4.92 120.40 118.09 3kvv s VAL 176 Ca 0.27 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 3kvv s VAL 176 Cb 0.06 -0.77 -0.06 0.00 0.00 0.00 0.00 36.38 35.61 3kvv s VAL 176 CO 0.07 0.27 1.22 0.55 0.00 0.00 0.00 175.10 177.21 3kvv n VAL 177 N 3.52 3.64 -0.31 2.92 3.14 -1.26 -4.62 118.33 125.37 3kvv n VAL 177 Ca -0.21 -0.50 0.15 0.00 -2.96 0.00 0.00 64.34 60.83 3kvv n VAL 177 Cb 0.53 -1.47 0.33 0.00 -1.06 0.00 0.00 33.84 32.17 3kvv n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3kvv h ARG 178 N 1.20 0.21 -0.18 1.45 2.43 -2.00 0.24 114.38 117.73 3kvv h ARG 178 Ca -0.49 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.72 3kvv h ARG 178 Cb 1.32 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 3kvv h ARG 178 CO 0.55 0.14 0.14 1.25 -1.51 0.00 0.00 179.97 180.54 3kvv h HIS 179 N 0.21 0.00 -0.02 2.20 2.76 -2.03 -2.51 115.15 115.78 3kvv h HIS 179 Ca 0.59 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.76 3kvv h HIS 179 Cb 1.24 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.20 3kvv h HIS 179 CO -0.23 0.00 -0.34 1.19 -1.30 0.00 0.00 177.93 177.25 3kvv n PHE 180 N -4.35 0.00 -2.16 5.26 3.01 0.05 -4.82 117.46 114.45 3kvv n PHE 180 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.05 3kvv n PHE 180 Cb 0.27 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.71 3kvv n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kvv s LYS 181 N -2.09 4.29 0.00 -1.08 -0.14 -0.95 -2.06 119.74 117.72 3kvv s LYS 181 Ca 0.17 2.06 0.00 0.00 -1.36 0.00 0.00 55.97 56.84 3kvv s LYS 181 Cb 0.15 -3.40 0.00 0.00 -1.68 0.00 0.00 37.83 32.90 3kvv s LYS 181 CO 0.45 -0.52 0.00 0.41 -0.76 0.00 0.00 175.35 174.93 3kvv n GLY 182 N 3.61 0.51 0.24 -3.33 0.00 -1.26 -4.93 105.19 100.02 3kvv n GLY 182 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 3kvv n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kvv h SER 183 N 0.00 0.95 -0.49 1.61 4.64 -1.73 -2.88 113.55 115.65 3kvv h SER 183 Ca 0.00 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 3kvv h SER 183 Cb 0.14 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 3kvv h SER 183 CO 0.00 1.35 0.31 -0.03 -0.87 0.00 0.00 176.83 177.59 3kvv h MET 184 N 0.61 0.65 -0.26 4.77 -1.53 -1.92 -1.26 114.93 116.00 3kvv h MET 184 Ca -0.01 -0.05 -0.04 0.00 -3.44 0.00 0.00 59.70 56.16 3kvv h MET 184 Cb 1.24 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 32.14 3kvv h MET 184 CO 0.13 0.45 -0.02 1.49 0.14 0.00 0.00 176.91 179.11 3kvv h GLU 185 N 0.65 0.39 0.00 0.39 4.81 -1.97 -0.21 114.58 118.65 3kvv h GLU 185 Ca 0.18 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3kvv h GLU 185 Cb -0.05 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3kvv h GLU 185 CO -0.04 0.43 -0.00 1.49 -0.73 0.00 0.00 179.01 180.16 3kvv h GLU 186 N 0.38 -0.01 -0.61 1.92 4.57 -1.15 -1.20 114.58 118.49 3kvv h GLU 186 Ca 0.08 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 3kvv h GLU 186 Cb 0.28 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 3kvv h GLU 186 CO 0.01 0.20 0.20 -1.49 -1.18 0.00 0.00 179.01 176.75 3kvv h TRP 187 N -0.21 0.94 -0.49 0.92 -0.00 -0.85 -1.78 115.95 114.48 3kvv h TRP 187 Ca -0.00 -0.07 0.03 0.00 -0.00 0.00 0.00 58.89 58.84 3kvv h TRP 187 Cb 0.21 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.16 29.06 3kvv h TRP 187 CO -0.01 0.75 0.29 1.96 -0.00 0.00 0.00 178.44 181.43 3kvv h GLN 188 N 0.90 0.55 -0.03 0.49 4.20 -0.91 -1.46 115.11 118.85 3kvv h GLN 188 Ca 0.20 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 3kvv h GLN 188 Cb 0.25 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3kvv h GLN 188 CO -0.01 0.37 -0.23 0.00 -0.67 0.00 0.00 178.83 178.29 3kvv h ALA 189 N 1.23 1.58 -0.18 3.87 0.00 -0.76 -1.96 119.26 123.04 3kvv h ALA 189 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kvv h ALA 189 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kvv h ALA 189 CO -0.10 0.31 0.00 -1.33 0.00 0.00 0.00 179.25 178.13 3kvv n MET 190 N -4.25 1.53 -0.95 0.00 2.81 -0.71 -4.91 117.12 110.63 3kvv n MET 190 Ca -0.02 -0.81 0.00 0.00 -1.81 0.00 0.00 57.70 55.06 3kvv n MET 190 Cb 0.29 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 31.54 3kvv n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kvv n GLY 191 N 0.94 0.75 3.71 3.03 0.00 -0.74 -5.01 105.19 107.87 3kvv n GLY 191 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3kvv n GLY 191 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kvv n VAL 192 N -2.48 1.03 0.11 1.61 0.31 -0.62 -4.68 118.33 113.60 3kvv n VAL 192 Ca 0.00 -0.26 -0.19 0.00 -0.01 0.00 0.00 64.34 63.88 3kvv n VAL 192 Cb 0.00 -1.72 -0.15 0.00 -0.91 0.00 0.00 33.84 31.06 3kvv n VAL 192 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 3kvv h MET 193 N 4.43 0.36 -2.14 5.55 0.00 -1.29 -3.42 114.93 118.41 3kvv h MET 193 Ca -0.46 -0.61 0.18 0.00 0.00 0.00 0.00 59.70 58.82 3kvv h MET 193 Cb 1.25 0.23 -0.11 0.00 0.00 0.00 0.00 31.60 32.96 3kvv h MET 193 CO 0.77 1.27 0.56 0.54 0.00 0.00 0.00 176.91 180.04 3kvv s ASN 194 N -7.25 -0.21 -0.03 1.22 4.22 -1.26 -0.91 114.94 110.71 3kvv s ASN 194 Ca -0.08 -0.23 0.02 0.00 -2.14 0.00 0.00 52.86 50.44 3kvv s ASN 194 Cb 0.06 0.39 -0.03 0.00 1.28 0.00 0.00 41.25 42.95 3kvv s ASN 194 CO 0.89 -0.70 -0.08 -0.31 -2.04 0.00 0.00 177.10 174.87 3kvv s TYR 195 N -3.07 2.89 0.00 1.54 1.51 -0.70 -0.77 117.35 118.76 3kvv s TYR 195 Ca 0.10 -0.02 0.00 0.00 -1.01 0.00 0.00 57.07 56.14 3kvv s TYR 195 Cb -0.00 -1.66 0.00 0.00 -0.11 0.00 0.00 41.96 40.19 3kvv s TYR 195 CO -0.02 0.34 0.00 -0.85 -1.11 0.00 0.00 175.55 173.91 3kvv n GLU 196 N 1.92 0.00 0.00 -0.62 -0.00 -0.74 -2.88 120.64 118.33 3kvv n GLU 196 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 3kvv n GLU 196 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 3kvv n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3kvv n MET 197 N 0.00 0.97 0.00 3.44 2.81 -1.26 -1.01 117.12 122.06 3kvv n MET 197 Ca 0.00 -0.80 0.00 0.00 -1.81 0.00 0.00 57.70 55.09 3kvv n MET 197 Cb 0.00 -0.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 3kvv n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3kvv n GLU 198 N -0.18 2.94 -0.16 0.03 4.71 -1.26 -3.28 120.64 123.44 3kvv n GLU 198 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 3kvv n GLU 198 Cb 0.30 -0.70 0.15 0.00 -1.01 0.00 0.00 31.44 30.18 3kvv n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3kvv h SER 199 N 0.00 0.85 -0.46 1.62 4.64 -1.94 -1.47 113.55 116.78 3kvv h SER 199 Ca 0.00 -0.17 0.02 0.00 -0.47 0.00 0.00 61.79 61.17 3kvv h SER 199 Cb 0.00 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.83 3kvv h SER 199 CO 0.00 0.85 0.27 0.00 -0.87 0.00 0.00 176.83 177.08 3kvv h ALA 200 N 1.26 0.59 0.01 5.18 0.00 -1.87 0.15 119.26 124.57 3kvv h ALA 200 Ca 0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kvv h ALA 200 Cb 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kvv h ALA 200 CO 0.01 -0.05 -0.01 1.15 0.00 0.00 0.00 179.25 180.35 3kvv h THR 201 N 0.54 1.25 0.13 0.00 2.02 -1.86 -2.01 112.91 112.97 3kvv h THR 201 Ca 0.19 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.58 3kvv h THR 201 Cb 0.03 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 3kvv h THR 201 CO -0.09 0.21 -0.22 0.25 0.37 0.00 0.00 175.52 176.03 3kvv h LEU 202 N -0.36 -0.62 -0.53 2.58 5.85 -1.05 -0.87 115.31 120.31 3kvv h LEU 202 Ca -0.00 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 3kvv h LEU 202 Cb 0.35 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3kvv h LEU 202 CO 0.00 -0.31 0.06 -0.07 -0.34 0.00 0.00 178.44 177.78 3kvv h LEU 203 N -0.43 0.86 -0.05 2.25 3.38 -0.75 -1.78 115.31 118.79 3kvv h LEU 203 Ca 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3kvv h LEU 203 Cb 0.44 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kvv h LEU 203 CO -0.11 0.92 0.01 0.74 0.09 0.00 0.00 178.44 180.08 3kvv h THR 204 N 0.77 1.22 -0.51 0.22 2.02 -1.29 0.25 112.91 115.59 3kvv h THR 204 Ca 0.16 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 3kvv h THR 204 Cb 0.44 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 3kvv h THR 204 CO 0.01 0.19 0.26 0.00 0.37 0.00 0.00 175.52 176.35 3kvv h MET 205 N -0.18 0.71 -0.00 6.66 -0.00 -1.12 -1.92 114.93 119.08 3kvv h MET 205 Ca 0.01 -0.08 -0.07 0.00 -0.00 0.00 0.00 59.70 59.57 3kvv h MET 205 Cb 0.29 -0.14 0.01 0.00 -0.00 0.00 0.00 31.60 31.76 3kvv h MET 205 CO 0.00 0.54 -0.27 0.00 -0.00 0.00 0.00 176.91 177.18 3kvv h ALA 207 N 0.26 1.64 -0.48 0.00 0.00 -0.86 -1.39 119.26 118.43 3kvv h ALA 207 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kvv h ALA 207 Cb 1.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3kvv h ALA 207 CO 0.05 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 3kvv n SER 208 N -4.07 3.15 -0.18 0.00 3.41 -0.73 -4.19 113.62 111.02 3kvv n SER 208 Ca -0.03 -1.96 0.01 0.00 -0.26 0.00 0.00 58.87 56.63 3kvv n SER 208 Cb 0.13 -0.32 0.01 0.00 -0.26 0.00 0.00 64.21 63.77 3kvv n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kvv n GLN 209 N 1.25 0.39 -1.25 4.33 6.02 -0.83 -5.01 117.38 122.29 3kvv n GLN 209 Ca 0.20 -0.92 -0.08 0.00 -0.01 0.00 0.00 57.00 56.19 3kvv n GLN 209 Cb 0.53 -0.62 -0.03 0.00 1.02 0.00 0.00 30.24 31.13 3kvv n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kvv n GLY 210 N -0.15 0.96 3.90 1.08 0.00 -0.96 -5.02 105.19 105.00 3kvv n GLY 210 Ca 0.01 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 3kvv n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvv s LEU 211 N -1.78 4.37 -0.05 0.99 1.43 -0.59 -5.05 118.68 118.00 3kvv s LEU 211 Ca 0.00 0.35 -0.19 0.00 -1.03 0.00 0.00 54.13 53.26 3kvv s LEU 211 Cb 0.00 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.53 3kvv s LEU 211 CO 0.00 0.26 0.53 -0.13 0.23 0.00 0.00 176.35 177.23 3kvv s ARG 212 N -1.97 4.27 0.02 1.70 0.52 -0.35 -3.95 118.95 119.19 3kvv s ARG 212 Ca 0.28 0.59 0.00 0.00 -0.52 0.00 0.00 55.73 56.08 3kvv s ARG 212 Cb -0.13 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 31.97 3kvv s ARG 212 CO 0.19 0.32 -0.03 0.00 0.02 0.00 0.00 175.30 175.81 3kvv s ALA 213 N 0.03 0.15 0.16 2.13 0.00 -1.26 -0.02 121.76 122.96 3kvv s ALA 213 Ca 0.28 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 51.83 3kvv s ALA 213 Cb -0.17 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 3kvv s ALA 213 CO 0.14 -0.08 0.05 0.20 0.00 0.00 0.00 175.76 176.07 3kvv s GLY 214 N -0.96 1.14 -0.12 0.00 0.00 -0.44 -0.77 107.32 106.18 3kvv s GLY 214 Ca -0.10 -1.55 -0.05 0.00 0.00 0.00 0.00 44.72 43.02 3kvv s GLY 214 CO -0.01 -1.43 0.25 -0.29 0.00 0.00 0.00 173.10 171.63 3kvv s MET 215 N -4.02 0.16 0.04 2.90 0.00 -1.26 -1.36 119.30 115.75 3kvv s MET 215 Ca 0.26 0.64 0.03 0.00 0.00 0.00 0.00 55.69 56.62 3kvv s MET 215 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 34.83 34.79 3kvv s MET 215 CO 0.04 -0.23 -0.08 0.54 0.00 0.00 0.00 175.02 175.28 3kvv s VAL 216 N 1.91 0.60 -0.02 10.11 0.11 -0.48 -1.64 120.40 131.00 3kvv s VAL 216 Ca -0.03 -0.93 -0.16 0.00 -2.93 0.00 0.00 61.98 57.93 3kvv s VAL 216 Cb -0.11 -0.63 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 3kvv s VAL 216 CO -0.08 -0.25 0.33 0.00 -3.33 0.00 0.00 175.10 171.77 3kvv s ALA 217 N -1.10 -0.84 -0.14 1.54 0.00 -0.38 -1.35 121.76 119.48 3kvv s ALA 217 Ca -0.06 0.40 -0.13 0.00 0.00 0.00 0.00 51.96 52.17 3kvv s ALA 217 Cb -0.08 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 3kvv s ALA 217 CO 0.00 -0.26 0.28 0.20 0.00 0.00 0.00 175.76 175.98 3kvv s GLY 218 N -1.27 2.22 -0.28 0.00 0.00 0.06 -1.01 107.32 107.05 3kvv s GLY 218 Ca -0.13 -0.46 -0.29 0.00 0.00 0.00 0.00 44.72 43.84 3kvv s GLY 218 CO 0.04 0.30 1.29 0.14 0.00 0.00 0.00 173.10 174.87 3kvv s VAL 219 N 0.13 4.17 -0.48 1.40 1.01 -0.66 -1.89 120.40 124.08 3kvv s VAL 219 Ca 0.17 1.34 0.10 0.00 0.00 0.00 0.00 61.98 63.59 3kvv s VAL 219 Cb -0.13 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 3kvv s VAL 219 CO 0.05 -0.42 0.44 2.30 0.00 0.00 0.00 175.10 177.46 3kvv n ILE 220 N 6.08 0.00 -3.80 2.22 -5.35 -0.48 -0.44 119.36 117.59 3kvv n ILE 220 Ca 0.15 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.25 3kvv n ILE 220 Cb 0.46 0.98 -0.09 0.00 -1.74 0.00 0.00 39.64 39.25 3kvv n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3kvv s VAL 221 N -2.00 0.07 -0.24 7.28 0.11 -1.18 -4.97 120.40 119.47 3kvv s VAL 221 Ca 0.04 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.49 3kvv s VAL 221 Cb 0.08 -0.59 0.04 0.00 -1.53 0.00 0.00 36.38 34.37 3kvv s VAL 221 CO 0.43 -0.33 -0.10 0.21 -3.33 0.00 0.00 175.10 171.98 3kvv s ASN 222 N -1.45 4.13 0.64 3.54 3.84 -1.26 -0.23 114.94 124.15 3kvv s ASN 222 Ca -0.13 -0.99 0.43 0.00 0.21 0.00 0.00 52.86 52.38 3kvv s ASN 222 Cb -0.05 -1.60 2.33 0.00 -0.55 0.00 0.00 41.25 41.38 3kvv s ASN 222 CO 0.02 -0.12 2.32 0.03 -2.79 0.00 0.00 177.10 176.56 3kvv h ARG 223 N 7.93 0.00 0.00 0.43 2.47 -1.37 -1.07 114.38 122.78 3kvv h ARG 223 Ca -0.31 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 3kvv h ARG 223 Cb 1.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 3kvv h ARG 223 CO 0.56 0.00 -1.15 0.25 0.56 0.00 0.00 179.97 180.18 3kvv n THR 224 N -3.03 0.08 0.00 2.04 -2.24 -1.26 -5.09 114.28 104.78 3kvv n THR 224 Ca -0.03 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3kvv n THR 224 Cb 0.08 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3kvv n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvv n GLN 225 N -1.85 0.00 -2.57 -0.78 6.02 -0.41 -5.06 117.38 112.74 3kvv n GLN 225 Ca 0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.98 3kvv n GLN 225 Cb 0.42 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.66 3kvv n GLN 225 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 3kvv n LYS 235 N 0.00 -3.38 0.00 -1.09 -0.00 -1.26 -4.87 118.16 107.56 3kvv n LYS 235 Ca 0.00 2.56 0.00 0.00 -0.00 0.00 0.00 58.31 60.87 3kvv n LYS 235 Cb 0.00 -3.39 0.00 0.00 -0.00 0.00 0.00 35.03 31.64 3kvv n LYS 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kvv n GLN 236 N 1.99 3.96 -1.45 -1.58 0.00 -1.26 -5.00 117.38 114.04 3kvv n GLN 236 Ca -0.17 0.00 -0.16 0.00 0.00 0.00 0.00 57.00 56.67 3kvv n GLN 236 Cb 0.26 -0.55 -0.07 0.00 0.00 0.00 0.00 30.24 29.89 3kvv n GLN 236 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 3kvv n THR 237 N -0.88 0.00 -0.17 -0.39 -2.24 -1.26 -4.73 114.28 104.61 3kvv n THR 237 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 3kvv n THR 237 Cb 0.00 -1.69 0.07 0.00 -2.10 0.00 0.00 70.33 66.61 3kvv n THR 237 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3kvv h GLU 238 N 0.00 0.14 -0.07 -0.78 4.81 -1.95 -0.79 114.58 115.94 3kvv h GLU 238 Ca -0.33 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.91 3kvv h GLU 238 Cb 1.20 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 3kvv h GLU 238 CO 0.48 0.09 0.05 0.77 -0.73 0.00 0.00 179.01 179.67 3kvv h SER 239 N 0.14 0.00 -0.09 1.04 0.02 -1.99 -0.49 113.55 112.18 3kvv h SER 239 Ca 0.26 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.17 3kvv h SER 239 Cb 0.40 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 3kvv h SER 239 CO -0.42 0.00 -0.13 -0.74 -1.14 0.00 0.00 176.83 174.41 3kvv h HIS 240 N 0.00 0.30 -0.51 3.45 2.76 -1.54 -2.68 115.15 116.93 3kvv h HIS 240 Ca 0.03 -0.10 -0.07 0.00 -2.20 0.00 0.00 60.37 58.03 3kvv h HIS 240 Cb 0.14 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 3kvv h HIS 240 CO 0.00 0.71 0.04 0.00 -1.30 0.00 0.00 177.93 177.38 3kvv h ALA 241 N 0.54 1.11 -0.60 5.26 0.00 -0.76 -3.02 119.26 121.79 3kvv h ALA 241 Ca 0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3kvv h ALA 241 Cb 0.68 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3kvv h ALA 241 CO 0.03 0.57 0.25 0.28 0.00 0.00 0.00 179.25 180.39 3kvv h VAL 242 N 0.78 1.22 -0.75 0.00 2.07 -1.10 -1.29 116.25 117.18 3kvv h VAL 242 Ca 0.16 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 3kvv h VAL 242 Cb 0.42 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3kvv h VAL 242 CO 0.01 0.27 0.27 0.11 0.02 0.00 0.00 177.57 178.25 3kvv h LYS 243 N 0.83 1.15 -0.36 1.57 1.57 -1.43 -2.14 116.57 117.76 3kvv h LYS 243 Ca 0.20 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3kvv h LYS 243 Cb 0.18 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3kvv h LYS 243 CO -0.02 0.96 0.16 0.82 -0.57 0.00 0.00 179.45 180.80 3kvv h ILE 244 N 1.10 1.18 -0.31 1.86 2.04 -1.37 -0.77 117.51 121.25 3kvv h ILE 244 Ca 0.25 -0.52 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 3kvv h ILE 244 Cb 0.27 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3kvv h ILE 244 CO -0.01 0.19 -0.09 1.62 0.00 0.00 0.00 178.15 179.86 3kvv h VAL 245 N 0.44 1.22 -0.33 1.67 3.04 -1.07 0.20 116.25 121.42 3kvv h VAL 245 Ca 0.12 -0.95 -0.11 0.00 -1.01 0.00 0.00 66.70 64.75 3kvv h VAL 245 Cb 0.15 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.50 3kvv h VAL 245 CO -0.01 0.32 -0.21 0.58 -1.01 0.00 0.00 177.57 177.24 3kvv h VAL 246 N 0.48 1.29 -0.61 1.51 2.07 -1.25 -0.77 116.25 118.97 3kvv h VAL 246 Ca 0.09 -1.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.21 3kvv h VAL 246 Cb 0.45 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3kvv h VAL 246 CO 0.02 0.44 0.13 -0.08 0.02 0.00 0.00 177.57 178.10 3kvv h GLU 247 N 0.49 0.96 -0.32 1.57 4.57 -0.76 -1.44 114.58 119.65 3kvv h GLU 247 Ca 0.07 -0.22 -0.04 0.00 -1.18 0.00 0.00 59.36 57.99 3kvv h GLU 247 Cb 0.76 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 3kvv h GLU 247 CO 0.06 0.87 0.05 0.00 -1.18 0.00 0.00 179.01 178.80 3kvv h ALA 248 N 1.22 0.43 -0.78 2.92 0.00 -0.51 -2.59 119.26 119.94 3kvv h ALA 248 Ca 0.19 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.04 3kvv h ALA 248 Cb 0.36 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 3kvv h ALA 248 CO 0.00 0.13 0.37 0.00 0.00 0.00 0.00 179.25 179.75 3kvv h ALA 249 N 0.89 1.13 -0.64 0.00 0.00 -0.73 -1.00 119.26 118.90 3kvv h ALA 249 Ca 0.10 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.18 3kvv h ALA 249 Cb 0.35 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3kvv h ALA 249 CO 0.01 -0.13 0.30 0.00 0.00 0.00 0.00 179.25 179.43 3kvv h ARG 250 N 0.55 0.52 0.00 0.00 3.08 -0.90 0.10 114.38 117.74 3kvv h ARG 250 Ca 0.42 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.44 3kvv h ARG 250 Cb 0.58 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3kvv h ARG 250 CO -0.36 0.35 0.00 0.54 -1.07 0.00 0.00 179.97 179.43 3kvv n ARG 251 N -4.90 0.19 0.00 0.04 1.74 -0.42 -3.06 116.66 110.26 3kvv n ARG 251 Ca 0.09 0.44 0.08 0.00 -0.77 0.00 0.00 57.85 57.70 3kvv n ARG 251 Cb 0.24 -1.89 0.01 0.00 -1.02 0.00 0.00 32.46 29.80 3kvv n ARG 251 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kvv n LEU 252 N -2.26 1.76 0.00 0.55 4.77 -0.02 -5.06 117.00 116.75 3kvv n LEU 252 Ca 0.02 -0.79 0.03 0.00 -0.03 0.00 0.00 56.01 55.24 3kvv n LEU 252 Cb 0.21 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.51 3kvv n LEU 252 CO 0.19 0.33 0.44 0.18 -1.33 0.00 0.00 177.39 177.20