#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvv s SER 4 N 0.00 -0.53 0.00 4.39 1.04 -1.26 -4.32 113.70 113.02 3kvv s SER 4 Ca 0.00 0.33 0.25 0.00 0.48 0.00 0.00 55.95 57.01 3kvv s SER 4 Cb 0.00 0.52 0.48 0.00 0.10 0.00 0.00 66.02 67.12 3kvv s SER 4 CO 0.00 -0.72 1.42 0.47 0.98 0.00 0.00 173.24 175.40 3kvv n ASP 5 N 0.46 2.58 -4.13 7.02 8.00 0.46 -4.92 116.55 126.03 3kvv n ASP 5 Ca -0.18 -1.85 -0.15 0.00 0.71 0.00 0.00 54.79 53.32 3kvv n ASP 5 Cb 0.60 -0.04 -0.11 0.00 -0.02 0.00 0.00 41.12 41.55 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 -1.93 0.82 0.17 2.53 -7.23 -1.23 -5.05 120.40 108.48 3kvv s VAL 6 Ca 0.32 -1.36 -0.01 0.00 -1.81 0.00 0.00 61.98 59.12 3kvv s VAL 6 Cb 0.20 -1.02 -0.12 0.00 0.56 0.00 0.00 36.38 36.01 3kvv s VAL 6 CO 0.31 -0.42 1.41 0.15 -0.31 0.00 0.00 175.10 176.24 3kvv h PHE 7 N 4.07 0.53 0.00 2.82 3.57 -1.94 -3.35 116.94 122.64 3kvv h PHE 7 Ca -0.38 -0.24 -0.37 0.00 3.53 0.00 0.00 57.97 60.51 3kvv h PHE 7 Cb 1.19 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.79 3kvv h PHE 7 CO 0.64 1.01 -2.35 0.72 -2.23 0.00 0.00 178.31 176.10 3kvv n HIS 8 N -3.81 0.00 0.21 0.41 8.25 -1.26 -4.70 115.22 114.32 3kvv n HIS 8 Ca -0.05 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.50 3kvv n HIS 8 Cb 0.73 -0.90 0.33 0.00 1.12 0.00 0.00 29.99 31.27 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 -0.26 0.00 -1.26 2.41 3.38 -1.93 -3.45 115.31 114.20 3kvv h LEU 9 Ca -0.56 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.19 3kvv h LEU 9 Cb 1.73 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.57 3kvv h LEU 9 CO -0.17 0.24 -0.43 0.61 0.09 0.00 0.00 178.44 178.79 3kvv n GLY 10 N 0.55 0.02 3.18 0.83 0.00 -1.25 -4.67 105.19 103.84 3kvv n GLY 10 Ca 0.01 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.70 2.25 0.27 0.99 1.43 -1.26 -4.78 118.68 112.88 3kvv s LEU 11 Ca 0.21 -0.58 0.08 0.00 -1.03 0.00 0.00 54.13 52.82 3kvv s LEU 11 Cb -0.09 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 3kvv s LEU 11 CO 0.43 -0.03 0.09 0.42 0.23 0.00 0.00 176.35 177.50 3kvv s THR 12 N -1.13 3.82 0.25 5.49 -4.23 -1.26 -0.40 115.64 118.18 3kvv s THR 12 Ca 0.00 -1.68 -0.06 0.00 -1.18 0.00 0.00 61.69 58.77 3kvv s THR 12 Cb -0.09 -3.08 0.26 0.00 1.34 0.00 0.00 72.50 70.92 3kvv s THR 12 CO 0.02 -0.35 1.93 0.50 -0.54 0.00 0.00 174.62 176.18 3kvv h LYS 13 N 1.69 1.30 -0.76 3.99 3.64 -1.97 -2.30 116.57 122.15 3kvv h LYS 13 Ca -0.46 -0.08 0.07 0.00 -1.27 0.00 0.00 60.65 58.91 3kvv h LYS 13 Cb 1.25 -0.29 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 3kvv h LYS 13 CO 0.61 0.86 0.50 -0.91 -2.27 0.00 0.00 179.45 178.24 3kvv h ASN 14 N 1.33 0.69 -0.98 4.20 2.35 -1.96 -2.01 115.58 119.20 3kvv h ASN 14 Ca 0.36 0.01 0.18 0.00 -0.55 0.00 0.00 56.30 56.30 3kvv h ASN 14 Cb -0.14 -0.14 -0.10 0.00 0.05 0.00 0.00 38.32 37.99 3kvv h ASN 14 CO -0.08 0.44 0.61 0.44 -1.65 0.00 0.00 177.43 177.20 3kvv h ASP 15 N 0.79 0.72 1.35 5.81 3.32 -1.82 -1.32 116.42 125.27 3kvv h ASP 15 Ca 0.33 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.46 3kvv h ASP 15 Cb 0.28 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3kvv h ASP 15 CO -0.12 0.28 0.00 -0.07 -1.72 0.00 0.00 179.24 177.62 3kvv h LEU 16 N 0.72 0.00 -0.48 1.55 3.38 -1.44 -3.47 115.31 115.57 3kvv h LEU 16 Ca 0.55 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 58.05 3kvv h LEU 16 Cb 0.91 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.57 3kvv h LEU 16 CO -0.32 0.00 -0.71 0.00 0.09 0.00 0.00 178.44 177.50 3kvv n GLN 17 N -2.54 -4.25 -0.43 1.13 6.02 -0.50 -1.32 117.38 115.49 3kvv n GLN 17 Ca 0.04 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 3kvv n GLN 17 Cb 0.39 -5.31 0.00 0.00 1.02 0.00 0.00 30.24 26.33 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 -1.45 0.75 3.72 1.08 0.00 -1.26 -4.83 105.19 103.19 3kvv n GLY 18 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.71 1.60 -0.29 4.61 0.00 -0.43 -4.92 120.51 120.37 3kvv n ALA 19 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3kvv n ALA 19 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.14 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 0.02 0.00 -5.05 0.00 -2.24 -1.26 -4.29 114.28 101.45 3kvv n THR 20 Ca 0.05 -0.31 -0.28 0.00 -2.27 0.00 0.00 64.05 61.24 3kvv n THR 20 Cb 0.39 1.29 -0.16 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.27 2.04 -0.00 3.22 0.20 -1.26 0.08 118.68 122.68 3kvv s LEU 21 Ca 0.00 -0.39 0.03 0.00 0.69 0.00 0.00 54.13 54.46 3kvv s LEU 21 Cb 0.00 -1.10 -0.01 0.00 -0.43 0.00 0.00 46.19 44.66 3kvv s LEU 21 CO 0.00 0.26 -0.09 0.00 -0.29 0.00 0.00 176.35 176.23 3kvv s ALA 22 N -0.49 0.74 -0.23 5.97 0.00 -0.03 -1.72 121.76 126.01 3kvv s ALA 22 Ca 0.08 -0.40 -0.09 0.00 0.00 0.00 0.00 51.96 51.55 3kvv s ALA 22 Cb -0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 3kvv s ALA 22 CO -0.01 0.18 0.11 0.42 0.00 0.00 0.00 175.76 176.46 3kvv s ILE 23 N -0.26 4.90 -0.49 0.00 1.01 -0.00 -1.12 121.20 125.25 3kvv s ILE 23 Ca 0.03 0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.74 3kvv s ILE 23 Cb -0.04 -3.27 0.13 0.00 0.01 0.00 0.00 42.46 39.29 3kvv s ILE 23 CO -0.00 0.37 0.24 0.68 0.00 0.00 0.00 174.94 176.22 3kvv s VAL 24 N 1.09 2.34 0.75 2.92 -7.23 -0.13 -1.35 120.40 118.79 3kvv s VAL 24 Ca 0.06 -3.09 -0.12 0.00 -1.81 0.00 0.00 61.98 57.02 3kvv s VAL 24 Cb -0.14 -2.64 0.04 0.00 0.56 0.00 0.00 36.38 34.20 3kvv s VAL 24 CO 0.04 -0.80 1.11 -2.16 -0.31 0.00 0.00 175.10 172.98 3kvv s PRO 25 N -0.06 2.49 0.04 4.82 0.04 -1.24 -3.44 135.00 137.64 3kvv s PRO 25 Ca 0.16 0.48 0.05 0.00 0.04 0.00 0.00 61.00 61.74 3kvv s PRO 25 Cb -0.25 -1.98 -0.24 0.00 0.04 0.00 0.00 34.50 32.07 3kvv s PRO 25 CO -0.01 -1.30 0.98 0.78 0.04 0.00 0.00 177.00 177.49 3kvv h GLY 26 N -0.85 0.10 -6.66 0.56 0.00 -1.85 -1.37 103.07 93.00 3kvv h GLY 26 Ca -0.46 -0.25 -0.61 0.00 0.00 0.00 0.00 47.33 46.01 3kvv h GLY 26 CO 0.62 0.22 -0.22 -0.35 0.00 0.00 0.00 176.54 176.81 3kvv s ASP 27 N -6.64 6.37 0.42 0.19 -1.08 -1.26 -1.67 116.67 113.00 3kvv s ASP 27 Ca -0.04 0.44 0.14 0.00 -0.52 0.00 0.00 52.55 52.57 3kvv s ASP 27 Cb 0.08 -2.22 1.02 0.00 -1.46 0.00 0.00 42.92 40.34 3kvv s ASP 27 CO 0.83 -0.10 1.92 -0.65 0.52 0.00 0.00 175.17 177.69 3kvv h PRO 28 N 7.59 0.44 0.00 4.34 0.11 -1.88 -1.65 132.00 140.95 3kvv h PRO 28 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3kvv h PRO 28 Cb 1.16 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3kvv h PRO 28 CO 0.70 0.29 0.00 -0.25 -0.21 0.00 0.00 178.00 178.53 3kvv n ASP 29 N -4.48 0.43 0.00 -2.05 9.92 -1.26 -2.51 116.55 116.59 3kvv n ASP 29 Ca 0.14 0.59 0.12 0.00 -0.53 0.00 0.00 54.79 55.11 3kvv n ASP 29 Cb 0.49 -0.69 0.19 0.00 -0.64 0.00 0.00 41.12 40.48 3kvv n ASP 29 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3kvv n ARG 30 N -1.96 0.01 -0.11 -1.24 0.63 -0.62 -4.24 116.66 109.13 3kvv n ARG 30 Ca 0.03 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.86 3kvv n ARG 30 Cb 0.24 -1.50 -0.02 0.00 0.45 0.00 0.00 32.46 31.63 3kvv n ARG 30 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3kvv h VAL 31 N 0.00 1.21 -0.57 5.15 2.07 -1.58 -1.77 116.25 120.75 3kvv h VAL 31 Ca 0.00 -0.67 -0.11 0.00 0.82 0.00 0.00 66.70 66.74 3kvv h VAL 31 Cb 0.51 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3kvv h VAL 31 CO 0.00 0.23 -0.07 -0.08 0.02 0.00 0.00 177.57 177.67 3kvv h GLU 32 N 0.37 1.05 -0.93 1.57 4.81 -1.78 -2.18 114.58 117.50 3kvv h GLU 32 Ca 0.10 -0.37 0.11 0.00 -0.13 0.00 0.00 59.36 59.08 3kvv h GLU 32 Cb 0.25 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.48 3kvv h GLU 32 CO -0.00 1.07 0.56 0.87 -0.73 0.00 0.00 179.01 180.78 3kvv h LYS 33 N 0.94 0.87 -0.04 1.92 1.57 -1.69 -1.69 116.57 118.45 3kvv h LYS 33 Ca 0.15 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3kvv h LYS 33 Cb 0.64 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3kvv h LYS 33 CO 0.04 0.58 -0.21 0.82 -0.57 0.00 0.00 179.45 180.11 3kvv h ILE 34 N 0.90 1.46 -0.29 1.86 2.04 -1.09 -3.27 117.51 119.12 3kvv h ILE 34 Ca 0.46 -1.67 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 3kvv h ILE 34 Cb 0.46 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 3kvv h ILE 34 CO -0.27 0.47 0.14 0.00 0.00 0.00 0.00 178.15 178.48 3kvv h ALA 35 N 0.39 1.70 0.00 1.87 0.00 -1.15 -2.16 119.26 119.92 3kvv h ALA 35 Ca -0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3kvv h ALA 35 Cb 0.86 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3kvv h ALA 35 CO 0.04 0.25 -0.21 0.00 0.00 0.00 0.00 179.25 179.33 3kvv h ALA 36 N 1.76 1.50 0.00 0.00 0.00 -1.37 -0.20 119.26 120.95 3kvv h ALA 36 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kvv h ALA 36 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kvv h ALA 36 CO -0.01 0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.78 3kvv n LEU 37 N -4.07 0.52 -4.78 0.00 7.99 -0.81 -4.76 117.00 111.10 3kvv n LEU 37 Ca -0.02 0.65 -0.25 0.00 -0.01 0.00 0.00 56.01 56.38 3kvv n LEU 37 Cb 0.28 -0.60 -0.06 0.00 -0.11 0.00 0.00 43.42 42.93 3kvv n LEU 37 CO 0.35 -0.58 -0.12 -0.04 -1.51 0.00 0.00 177.39 175.50 3kvv s MET 38 N -3.29 2.26 0.39 3.23 -1.94 -0.09 -5.11 119.30 114.75 3kvv s MET 38 Ca 0.03 -1.86 -0.24 0.00 -1.71 0.00 0.00 55.69 51.92 3kvv s MET 38 Cb 0.08 -2.02 -0.10 0.00 2.01 0.00 0.00 34.83 34.81 3kvv s MET 38 CO 0.32 -0.20 0.99 -0.51 -0.01 0.00 0.00 175.02 175.62 3kvv s ASP 39 N -3.97 6.94 -1.34 3.03 1.01 -0.51 -4.27 116.67 117.55 3kvv s ASP 39 Ca 0.39 1.89 -0.03 0.00 0.71 0.00 0.00 52.55 55.51 3kvv s ASP 39 Cb 0.02 -2.57 -0.00 0.00 1.01 0.00 0.00 42.92 41.38 3kvv s ASP 39 CO 0.22 -0.36 0.54 0.29 0.21 0.00 0.00 175.17 176.07 3kvv n LYS 40 N -0.09 -3.37 -2.14 8.23 5.02 -1.26 0.49 118.16 125.03 3kvv n LYS 40 Ca 0.05 0.46 -0.41 0.00 -2.02 0.00 0.00 58.31 56.40 3kvv n LYS 40 Cb 0.51 -4.62 -0.02 0.00 -0.02 0.00 0.00 35.03 30.87 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 -6.32 4.38 -0.09 1.97 0.04 -1.26 -4.30 135.00 129.41 3kvv s PRO 41 Ca 0.07 2.18 -0.05 0.00 0.04 0.00 0.00 61.00 63.24 3kvv s PRO 41 Cb -0.03 -3.09 0.04 0.00 0.04 0.00 0.00 34.50 31.47 3kvv s PRO 41 CO 0.87 -0.17 0.22 0.54 0.04 0.00 0.00 177.00 178.50 3kvv s VAL 42 N -1.06 -0.03 0.08 -0.36 0.11 -0.01 -4.98 120.40 114.14 3kvv s VAL 42 Ca 0.49 0.12 -0.31 0.00 -2.93 0.00 0.00 61.98 59.36 3kvv s VAL 42 Cb -0.39 -0.34 -0.07 0.00 -1.53 0.00 0.00 36.38 34.05 3kvv s VAL 42 CO 0.51 0.05 1.43 -0.75 -3.33 0.00 0.00 175.10 173.01 3kvv s LYS 43 N 1.01 4.29 -0.24 1.54 2.20 -1.26 -1.18 119.74 126.10 3kvv s LYS 43 Ca -0.07 2.08 -0.07 0.00 -0.36 0.00 0.00 55.97 57.55 3kvv s LYS 43 Cb -0.09 -3.37 -0.17 0.00 -1.51 0.00 0.00 37.83 32.70 3kvv s LYS 43 CO -0.06 -0.51 -0.16 1.28 -0.36 0.00 0.00 175.35 175.54 3kvv n LEU 44 N 4.49 2.50 -3.56 5.43 4.77 0.51 -4.92 117.00 126.22 3kvv n LEU 44 Ca 0.12 0.12 -0.07 0.00 -0.03 0.00 0.00 56.01 56.15 3kvv n LEU 44 Cb 0.42 -0.91 -0.02 0.00 -2.33 0.00 0.00 43.42 40.58 3kvv n LEU 44 CO 0.59 0.75 0.75 0.00 -1.33 0.00 0.00 177.39 178.15 3kvv s ALA 45 N -2.51 -1.85 -0.29 -1.18 0.00 -1.00 -5.00 121.76 109.93 3kvv s ALA 45 Ca -0.34 0.93 0.01 0.00 0.00 0.00 0.00 51.96 52.56 3kvv s ALA 45 Cb 0.10 0.38 0.18 0.00 0.00 0.00 0.00 23.12 23.78 3kvv s ALA 45 CO 0.58 -0.75 0.53 0.45 0.00 0.00 0.00 175.76 176.58 3kvv s SER 46 N -2.54 -0.93 -0.01 0.00 0.15 -1.26 -0.89 113.70 108.23 3kvv s SER 46 Ca 0.07 0.38 0.01 0.00 0.70 0.00 0.00 55.95 57.10 3kvv s SER 46 Cb -0.01 1.80 0.01 0.00 -1.71 0.00 0.00 66.02 66.11 3kvv s SER 46 CO -0.06 -0.29 -0.02 -1.00 1.20 0.00 0.00 173.24 173.07 3kvv s HIS 47 N 2.75 0.31 0.00 3.44 3.76 -0.51 -4.99 115.29 120.05 3kvv s HIS 47 Ca 0.15 -0.03 0.00 0.00 -0.15 0.00 0.00 55.06 55.02 3kvv s HIS 47 Cb -0.13 -0.29 0.00 0.00 1.11 0.00 0.00 32.58 33.27 3kvv s HIS 47 CO -0.23 -0.06 0.00 0.54 -0.85 0.00 0.00 174.74 174.14 3kvv n ARG 48 N 3.51 0.00 -0.03 1.40 1.74 -1.26 -0.88 116.66 121.14 3kvv n ARG 48 Ca -0.19 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.95 3kvv n ARG 48 Cb 0.55 0.00 0.29 0.00 -1.02 0.00 0.00 32.46 32.28 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 1.19 -3.51 5.56 0.00 -1.26 -4.73 120.64 131.90 3kvv n GLU 49 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 57.16 56.45 3kvv n GLU 49 Cb 0.00 -1.20 -0.09 0.00 0.00 0.00 0.00 31.44 30.15 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 -1.92 3.29 -0.15 -1.84 0.40 -0.06 -3.94 117.98 113.76 3kvv s PHE 50 Ca 0.18 -1.24 -0.03 0.00 -0.60 0.00 0.00 56.93 55.25 3kvv s PHE 50 Cb 0.09 -3.04 -0.02 0.00 0.51 0.00 0.00 43.02 40.56 3kvv s PHE 50 CO 0.14 -0.82 -0.06 0.99 0.70 0.00 0.00 175.22 176.17 3kvv s THR 51 N 1.53 3.62 -0.10 0.64 2.01 -1.26 -1.42 115.64 120.66 3kvv s THR 51 Ca 0.03 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.61 3kvv s THR 51 Cb -0.23 -2.58 0.01 0.00 0.01 0.00 0.00 72.50 69.71 3kvv s THR 51 CO 0.04 0.50 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.41 3kvv s THR 52 N 0.44 1.58 0.12 -0.82 2.01 -0.07 -1.39 115.64 117.52 3kvv s THR 52 Ca -0.05 -0.72 0.11 0.00 0.31 0.00 0.00 61.69 61.33 3kvv s THR 52 Cb -0.15 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 3kvv s THR 52 CO 0.03 0.46 -0.25 0.26 -0.69 0.00 0.00 174.62 174.43 3kvv s TRP 53 N 0.75 2.35 0.18 4.92 0.52 0.32 -0.36 118.94 127.62 3kvv s TRP 53 Ca -0.11 -0.36 0.06 0.00 0.02 0.00 0.00 56.10 55.71 3kvv s TRP 53 Cb -0.16 -1.28 -0.04 0.00 -1.15 0.00 0.00 33.47 30.85 3kvv s TRP 53 CO 0.02 0.33 0.09 0.50 0.02 0.00 0.00 176.95 177.92 3kvv s ARG 54 N -2.02 2.73 0.03 4.98 3.52 -0.32 -0.59 118.95 127.28 3kvv s ARG 54 Ca 0.14 -0.98 -0.01 0.00 -0.13 0.00 0.00 55.73 54.76 3kvv s ARG 54 Cb -0.10 -2.53 0.00 0.00 -1.56 0.00 0.00 34.95 30.76 3kvv s ARG 54 CO 0.06 0.46 0.06 0.00 -0.81 0.00 0.00 175.30 175.08 3kvv n ALA 55 N -0.36 -0.14 -3.26 6.12 0.00 0.03 -0.83 120.51 122.07 3kvv n ALA 55 Ca -0.09 -0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.08 3kvv n ALA 55 Cb 0.55 0.09 -0.15 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.01 0.32 -0.15 0.00 2.12 0.18 -0.95 118.70 118.21 3kvv s GLU 56 Ca 0.01 -0.03 -0.02 0.00 0.36 0.00 0.00 54.97 55.30 3kvv s GLU 56 Cb -0.00 -0.39 0.04 0.00 0.26 0.00 0.00 34.13 34.04 3kvv s GLU 56 CO 0.01 -0.03 -0.00 -1.17 -0.54 0.00 0.00 175.26 173.53 3kvv s LEU 57 N 0.47 1.13 -1.57 2.70 2.96 0.13 -1.43 118.68 123.08 3kvv s LEU 57 Ca -0.05 -0.54 -0.11 0.00 -0.22 0.00 0.00 54.13 53.22 3kvv s LEU 57 Cb -0.08 -0.65 0.09 0.00 0.50 0.00 0.00 46.19 46.05 3kvv s LEU 57 CO -0.01 -0.23 0.69 0.47 -1.32 0.00 0.00 176.35 175.95 3kvv n ASP 58 N 5.02 -2.49 -0.01 3.68 10.43 -1.26 -0.59 116.55 131.33 3kvv n ASP 58 Ca -0.09 -0.97 -0.00 0.00 2.57 0.00 0.00 54.79 56.30 3kvv n ASP 58 Cb 0.48 -3.07 -0.00 0.00 1.84 0.00 0.00 41.12 40.37 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 -1.65 0.46 3.41 0.44 0.00 -1.26 -5.02 105.19 101.56 3kvv n GLY 59 Ca -0.07 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.37 3.00 0.25 1.61 -0.14 0.24 -5.09 119.74 119.24 3kvv s LYS 60 Ca 0.00 -0.70 -0.30 0.00 -1.36 0.00 0.00 55.97 53.62 3kvv s LYS 60 Cb 0.00 -2.51 -0.09 0.00 -1.68 0.00 0.00 37.83 33.55 3kvv s LYS 60 CO 0.00 0.38 1.18 -1.25 -0.76 0.00 0.00 175.35 174.90 3kvv s PRO 61 N -0.10 4.53 0.02 -1.68 0.04 -1.26 0.21 135.00 136.76 3kvv s PRO 61 Ca -0.02 1.91 0.01 0.00 0.04 0.00 0.00 61.00 62.94 3kvv s PRO 61 Cb -0.14 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 3kvv s PRO 61 CO 0.04 0.02 -0.05 0.08 0.04 0.00 0.00 177.00 177.13 3kvv s VAL 62 N -0.74 0.29 0.00 -0.36 1.01 -0.13 -4.34 120.40 116.14 3kvv s VAL 62 Ca 0.48 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 3kvv s VAL 62 Cb -0.34 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 3kvv s VAL 62 CO 0.42 -0.31 0.13 -0.63 0.00 0.00 0.00 175.10 174.70 3kvv s ILE 63 N -1.07 5.03 -0.14 2.22 -1.09 -0.70 -0.79 121.20 124.66 3kvv s ILE 63 Ca -0.09 -0.33 0.01 0.00 -2.23 0.00 0.00 60.65 58.01 3kvv s ILE 63 Cb -0.08 -3.33 0.02 0.00 -1.58 0.00 0.00 42.46 37.49 3kvv s ILE 63 CO -0.00 0.32 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.17 3kvv s VAL 64 N -1.27 1.71 -0.02 2.92 1.01 0.24 -0.82 120.40 124.17 3kvv s VAL 64 Ca 0.25 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3kvv s VAL 64 Cb -0.12 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.71 3kvv s VAL 64 CO 0.17 0.48 0.01 0.00 0.00 0.00 0.00 175.10 175.76 3kvv s SER 66 N 0.96 6.99 -0.03 0.00 1.04 -0.48 -3.63 113.70 118.55 3kvv s SER 66 Ca -0.09 1.82 0.21 0.00 0.48 0.00 0.00 55.95 58.36 3kvv s SER 66 Cb -0.13 -2.56 -0.32 0.00 0.10 0.00 0.00 66.02 63.11 3kvv s SER 66 CO -0.02 -0.32 0.46 0.35 0.98 0.00 0.00 173.24 174.69 3kvv n THR 67 N -0.17 0.00 -0.21 2.02 -2.24 -0.51 -4.39 114.28 108.77 3kvv n THR 67 Ca 0.05 -0.47 0.03 0.00 -2.27 0.00 0.00 64.05 61.39 3kvv n THR 67 Cb 0.52 0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.78 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 1.33 -1.60 3.72 3.38 0.00 -0.67 -3.19 105.19 108.15 3kvv n GLY 68 Ca -0.04 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.53 4.78 0.00 -0.61 1.01 -1.26 -4.69 121.20 118.90 3kvv s ILE 69 Ca 0.00 2.01 0.00 0.00 0.00 0.00 0.00 60.65 62.66 3kvv s ILE 69 Cb 0.00 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.17 3kvv s ILE 69 CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.76 3kvv n GLY 70 N 2.73 2.23 0.35 6.18 0.00 -1.25 -4.58 105.19 110.86 3kvv n GLY 70 Ca 0.04 -1.77 0.13 0.00 0.00 0.00 0.00 46.02 44.43 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 1.79 0.92 -0.02 0.00 -1.86 -2.11 103.07 101.80 3kvv h GLY 71 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 3kvv h GLY 71 CO 0.00 -0.07 -0.16 -2.55 0.00 0.00 0.00 176.54 173.77 3kvv h PRO 72 N 0.76 0.64 -0.19 4.80 0.11 -1.94 0.23 132.00 136.42 3kvv h PRO 72 Ca 0.58 -0.29 -0.15 0.00 0.11 0.00 0.00 66.00 66.26 3kvv h PRO 72 Cb 0.91 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3kvv h PRO 72 CO -0.38 0.87 -0.50 0.66 -0.21 0.00 0.00 178.00 178.44 3kvv h SER 73 N 0.40 0.58 -0.49 -2.05 4.64 -1.78 -2.84 113.55 112.01 3kvv h SER 73 Ca 0.07 -0.29 0.07 0.00 -0.47 0.00 0.00 61.79 61.16 3kvv h SER 73 Cb 0.68 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.55 3kvv h SER 73 CO 0.05 0.98 0.18 0.74 -0.87 0.00 0.00 176.83 177.91 3kvv h THR 74 N 0.42 0.84 -0.53 2.95 2.02 -1.14 -2.52 112.91 114.95 3kvv h THR 74 Ca 0.02 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 3kvv h THR 74 Cb 1.02 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 3kvv h THR 74 CO 0.09 0.07 0.22 0.77 0.37 0.00 0.00 175.52 177.03 3kvv h SER 75 N 0.36 0.69 -0.10 4.18 4.64 -0.33 -0.61 113.55 122.38 3kvv h SER 75 Ca 0.24 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3kvv h SER 75 Cb 0.24 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3kvv h SER 75 CO -0.24 0.62 0.05 0.40 -0.87 0.00 0.00 176.83 176.79 3kvv h ILE 76 N 0.75 1.12 -0.42 0.95 2.04 -1.25 -1.76 117.51 118.95 3kvv h ILE 76 Ca 0.18 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 3kvv h ILE 76 Cb 0.14 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3kvv h ILE 76 CO -0.02 0.11 0.14 0.00 0.00 0.00 0.00 178.15 178.38 3kvv h ALA 77 N 0.91 0.55 -0.28 1.87 0.00 -1.02 -1.13 119.26 120.16 3kvv h ALA 77 Ca 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3kvv h ALA 77 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kvv h ALA 77 CO -0.00 0.18 0.06 0.28 0.00 0.00 0.00 179.25 179.77 3kvv h VAL 78 N 0.53 1.22 -0.06 0.00 2.07 -1.15 -1.07 116.25 117.78 3kvv h VAL 78 Ca 0.14 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.94 3kvv h VAL 78 Cb 0.24 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3kvv h VAL 78 CO -0.01 0.24 -0.04 -0.08 0.02 0.00 0.00 177.57 177.70 3kvv h GLU 79 N 0.29 -0.04 -0.35 1.57 4.57 -1.17 -0.37 114.58 119.08 3kvv h GLU 79 Ca 0.09 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.15 3kvv h GLU 79 Cb 0.30 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 3kvv h GLU 79 CO 0.00 -0.03 -0.29 0.93 -1.18 0.00 0.00 179.01 178.45 3kvv h GLU 80 N -0.04 0.73 -0.78 1.92 5.08 -1.16 -1.30 114.58 119.04 3kvv h GLU 80 Ca 0.04 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 3kvv h GLU 80 Cb 0.10 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 3kvv h GLU 80 CO -0.09 0.93 0.37 -0.07 -1.00 0.00 0.00 179.01 179.15 3kvv h LEU 81 N 0.63 1.02 -0.82 1.33 3.38 -1.10 -2.12 115.31 117.63 3kvv h LEU 81 Ca 0.08 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kvv h LEU 81 Cb 0.81 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 3kvv h LEU 81 CO 0.07 0.88 0.52 0.00 0.09 0.00 0.00 178.44 180.00 3kvv h ALA 82 N 1.19 1.05 -0.59 1.53 0.00 -0.65 -0.71 119.26 121.07 3kvv h ALA 82 Ca 0.27 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3kvv h ALA 82 Cb 0.13 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3kvv h ALA 82 CO -0.03 0.48 0.39 1.96 0.00 0.00 0.00 179.25 182.05 3kvv h GLN 83 N 1.12 0.68 -0.00 0.00 4.20 -0.89 -1.29 115.11 118.93 3kvv h GLN 83 Ca 0.30 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3kvv h GLN 83 Cb -0.09 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.54 3kvv h GLN 83 CO -0.06 0.45 -0.08 1.28 -0.67 0.00 0.00 178.83 179.75 3kvv n LEU 84 N -4.46 0.47 0.00 1.46 4.77 -0.41 -4.90 117.00 113.92 3kvv n LEU 84 Ca 0.07 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3kvv n LEU 84 Cb 0.13 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3kvv n LEU 84 CO 0.35 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3kvv n GLY 85 N 1.23 0.87 3.74 -0.72 0.00 -0.49 -4.84 105.19 104.98 3kvv n GLY 85 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 3.08 0.00 -0.61 -1.09 -0.41 -4.51 121.20 115.66 3kvv s ILE 86 Ca 0.00 0.88 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 3kvv s ILE 86 Cb 0.00 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 3kvv s ILE 86 CO 0.00 0.13 0.00 0.54 -1.23 0.00 0.00 174.94 174.38 3kvv n ARG 87 N 2.64 3.24 -4.53 2.79 5.12 0.11 -4.25 116.66 121.79 3kvv n ARG 87 Ca 0.07 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.75 3kvv n ARG 87 Cb 0.42 -0.71 -0.16 0.00 -1.16 0.00 0.00 32.46 30.85 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 -1.36 1.03 -0.12 0.55 2.01 -0.82 -0.96 115.64 115.98 3kvv s THR 88 Ca 0.00 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.58 3kvv s THR 88 Cb 0.00 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.58 3kvv s THR 88 CO 0.00 0.33 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.73 3kvv s PHE 89 N 0.56 2.12 -0.28 4.92 0.40 0.74 -0.85 117.98 125.60 3kvv s PHE 89 Ca -0.12 -1.03 -0.01 0.00 -0.60 0.00 0.00 56.93 55.17 3kvv s PHE 89 Cb -0.14 -1.51 0.05 0.00 0.51 0.00 0.00 43.02 41.92 3kvv s PHE 89 CO 0.03 -0.52 -0.04 -0.51 0.70 0.00 0.00 175.22 174.87 3kvv s LEU 90 N 1.01 3.59 0.03 -0.37 1.43 -0.27 -1.34 118.68 122.76 3kvv s LEU 90 Ca -0.05 -1.20 -0.27 0.00 -1.03 0.00 0.00 54.13 51.58 3kvv s LEU 90 Cb -0.15 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 3kvv s LEU 90 CO -0.03 -0.21 0.84 -0.60 0.23 0.00 0.00 176.35 176.58 3kvv s ARG 91 N 1.23 4.54 -0.19 1.70 3.52 -0.49 -0.95 118.95 128.31 3kvv s ARG 91 Ca -0.05 1.18 0.01 0.00 -0.13 0.00 0.00 55.73 56.75 3kvv s ARG 91 Cb -0.19 -3.40 0.03 0.00 -1.56 0.00 0.00 34.95 29.83 3kvv s ARG 91 CO -0.03 0.17 -0.15 -1.50 -0.81 0.00 0.00 175.30 172.97 3kvv s ILE 92 N 0.30 1.89 0.34 4.11 -1.16 -1.22 -1.14 121.20 124.33 3kvv s ILE 92 Ca 0.43 -1.00 0.04 0.00 -0.51 0.00 0.00 60.65 59.61 3kvv s ILE 92 Cb -0.21 -1.82 -0.02 0.00 0.61 0.00 0.00 42.46 41.03 3kvv s ILE 92 CO 0.25 0.36 0.16 0.61 -2.81 0.00 0.00 174.94 173.51 3kvv n GLY 93 N 4.64 3.26 3.70 1.50 0.00 -0.35 -3.96 105.19 113.98 3kvv n GLY 93 Ca -0.18 -2.04 -0.26 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.98 3.94 0.06 2.61 -4.23 -1.26 -1.30 115.64 112.47 3kvv s THR 94 Ca 0.22 -1.35 -0.15 0.00 -1.18 0.00 0.00 61.69 59.24 3kvv s THR 94 Cb 0.01 -3.00 0.03 0.00 1.34 0.00 0.00 72.50 70.88 3kvv s THR 94 CO 0.16 -0.13 0.34 0.42 -0.54 0.00 0.00 174.62 174.87 3kvv s THR 95 N -1.77 0.08 -0.26 3.99 -4.23 -0.91 -4.85 115.64 107.70 3kvv s THR 95 Ca 0.29 -0.65 -0.09 0.00 -1.18 0.00 0.00 61.69 60.06 3kvv s THR 95 Cb -0.09 -1.03 -0.04 0.00 1.34 0.00 0.00 72.50 72.68 3kvv s THR 95 CO 0.20 -0.36 0.11 -0.83 -0.54 0.00 0.00 174.62 173.21 3kvv s GLY 96 N -2.27 1.83 0.43 3.99 0.00 -1.04 -1.46 107.32 108.80 3kvv s GLY 96 Ca -0.02 -1.11 -0.22 0.00 0.00 0.00 0.00 44.72 43.37 3kvv s GLY 96 CO -0.06 0.57 0.99 0.00 0.00 0.00 0.00 173.10 174.60 3kvv s ALA 97 N 1.64 3.01 0.00 3.20 0.00 -0.30 -0.85 121.76 128.46 3kvv s ALA 97 Ca 0.07 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.55 3kvv s ALA 97 Cb -0.15 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3kvv s ALA 97 CO 0.06 -0.05 0.85 0.44 0.00 0.00 0.00 175.76 177.06 3kvv n ILE 98 N -0.53 0.72 -4.35 0.00 -5.35 -0.31 -0.26 119.36 109.27 3kvv n ILE 98 Ca 0.07 -0.80 -0.34 0.00 -0.27 0.00 0.00 62.75 61.41 3kvv n ILE 98 Cb 0.52 0.66 -0.11 0.00 -1.74 0.00 0.00 39.64 38.97 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 -0.72 3.61 0.41 6.28 -1.52 -1.25 -4.82 119.66 121.65 3kvv s GLN 99 Ca 0.00 -0.48 0.11 0.00 -1.95 0.00 0.00 55.36 53.03 3kvv s GLN 99 Cb 0.00 -2.93 0.93 0.00 -0.22 0.00 0.00 33.01 30.79 3kvv s GLN 99 CO 0.00 0.31 1.98 -1.35 -0.25 0.00 0.00 175.29 175.98 3kvv h PRO 100 N 6.48 0.51 0.00 2.91 0.11 -1.97 -1.85 132.00 138.19 3kvv h PRO 100 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3kvv h PRO 100 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kvv h PRO 100 CO 0.63 0.34 0.00 -2.39 -0.21 0.00 0.00 178.00 176.36 3kvv n HIS 101 N -4.48 0.00 -3.60 0.65 1.44 -1.26 -4.67 115.22 103.30 3kvv n HIS 101 Ca 0.10 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.41 3kvv n HIS 101 Cb 0.30 -0.17 -0.11 0.00 0.12 0.00 0.00 29.99 30.13 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 -2.35 4.98 0.14 0.61 1.01 -0.70 -5.09 121.20 119.81 3kvv s ILE 102 Ca 0.28 -0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 3kvv s ILE 102 Cb 0.16 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 3kvv s ILE 102 CO 0.33 0.08 0.37 0.20 0.00 0.00 0.00 174.94 175.92 3kvv s ASN 103 N 1.68 6.48 0.22 3.58 0.01 -1.26 -4.88 114.94 120.77 3kvv s ASN 103 Ca 0.06 0.57 -0.32 0.00 -0.71 0.00 0.00 52.86 52.46 3kvv s ASN 103 Cb -0.17 -2.08 -0.14 0.00 0.41 0.00 0.00 41.25 39.27 3kvv s ASN 103 CO 0.09 0.05 1.32 0.52 -1.51 0.00 0.00 177.10 177.56 3kvv n VAL 104 N 0.06 0.96 0.00 1.60 0.31 -1.26 -1.22 118.33 118.77 3kvv n VAL 104 Ca -0.03 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3kvv n VAL 104 Cb 0.52 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 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 2.08 3.37 3.78 2.92 0.00 -0.72 -5.01 105.19 111.61 3kvv n GLY 105 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.89 4.64 -0.08 1.61 1.01 -0.36 -4.76 116.67 117.84 3kvv s ASP 106 Ca 0.00 1.80 0.03 0.00 0.71 0.00 0.00 52.55 55.09 3kvv s ASP 106 Cb 0.00 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 3kvv s ASP 106 CO 0.00 -1.94 -0.16 0.68 0.21 0.00 0.00 175.17 173.96 3kvv s VAL 107 N -2.91 2.88 -0.14 -1.27 -7.23 0.33 -1.51 120.40 110.55 3kvv s VAL 107 Ca 0.61 -0.76 -0.02 0.00 -1.81 0.00 0.00 61.98 60.00 3kvv s VAL 107 Cb -0.17 -2.15 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 3kvv s VAL 107 CO 0.55 0.56 -0.08 -0.76 -0.31 0.00 0.00 175.10 175.07 3kvv s LEU 108 N -0.24 2.98 -0.19 1.32 1.43 0.05 -1.58 118.68 122.45 3kvv s LEU 108 Ca 0.01 -0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 3kvv s LEU 108 Cb -0.13 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 3kvv s LEU 108 CO 0.03 0.16 -0.01 -0.69 0.23 0.00 0.00 176.35 176.07 3kvv s VAL 109 N 0.38 3.94 -0.20 -1.59 1.01 -0.30 -1.03 120.40 122.61 3kvv s VAL 109 Ca -0.07 -0.32 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 3kvv s VAL 109 Cb -0.15 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 3kvv s VAL 109 CO 0.04 0.44 0.49 -0.89 0.00 0.00 0.00 175.10 175.18 3kvv s THR 110 N 0.84 5.13 0.06 3.92 2.01 -0.68 -1.81 115.64 125.12 3kvv s THR 110 Ca 0.00 0.89 0.03 0.00 0.31 0.00 0.00 61.69 62.92 3kvv s THR 110 Cb -0.14 -3.81 -0.25 0.00 0.01 0.00 0.00 72.50 68.31 3kvv s THR 110 CO 0.02 0.20 1.08 0.71 -0.69 0.00 0.00 174.62 175.93 3kvv h THR 111 N 5.10 1.44 -1.88 -0.82 1.35 -1.43 -3.41 112.91 113.26 3kvv h THR 111 Ca -0.34 -3.11 0.19 0.00 -0.55 0.00 0.00 66.41 62.60 3kvv h THR 111 Cb 1.16 2.80 -0.16 0.00 -1.73 0.00 0.00 68.15 70.22 3kvv h THR 111 CO 0.73 0.86 0.66 0.00 -0.25 0.00 0.00 175.52 177.52 3kvv s ALA 112 N -2.66 -1.95 0.04 6.62 0.00 -1.26 -1.14 121.76 121.41 3kvv s ALA 112 Ca -0.03 1.18 0.07 0.00 0.00 0.00 0.00 51.96 53.18 3kvv s ALA 112 Cb 0.08 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 3kvv s ALA 112 CO 0.84 -0.70 -0.20 -1.12 0.00 0.00 0.00 175.76 174.58 3kvv s SER 113 N -2.42 2.42 0.05 0.00 0.01 -0.33 -1.92 113.70 111.51 3kvv s SER 113 Ca 0.08 -0.51 -0.31 0.00 1.31 0.00 0.00 55.95 56.53 3kvv s SER 113 Cb -0.01 -0.20 -0.07 0.00 0.21 0.00 0.00 66.02 65.96 3kvv s SER 113 CO -0.06 0.16 1.40 -0.69 0.41 0.00 0.00 173.24 174.46 3kvv s VAL 114 N -0.78 3.54 -1.15 3.43 1.01 0.16 -4.36 120.40 122.24 3kvv s VAL 114 Ca 0.07 1.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.90 3kvv s VAL 114 Cb -0.09 -3.65 0.13 0.00 0.00 0.00 0.00 36.38 32.78 3kvv s VAL 114 CO 0.02 0.03 1.43 -0.13 0.00 0.00 0.00 175.10 176.45 3kvv s ARG 115 N 1.88 3.93 -0.49 2.72 0.52 -1.26 -1.55 118.95 124.70 3kvv s ARG 115 Ca 0.65 -2.18 0.02 0.00 -0.52 0.00 0.00 55.73 53.70 3kvv s ARG 115 Cb -0.34 -5.15 0.59 0.00 0.52 0.00 0.00 34.95 30.56 3kvv s ARG 115 CO 0.28 -1.90 1.93 1.28 0.02 0.00 0.00 175.30 176.91 3kvv n LEU 116 N 6.65 6.90 -4.64 2.53 4.77 -0.35 -4.94 117.00 127.92 3kvv n LEU 116 Ca 0.36 -3.73 -0.29 0.00 -0.03 0.00 0.00 56.01 52.33 3kvv n LEU 116 Cb 0.45 -0.87 -0.10 0.00 -2.33 0.00 0.00 43.42 40.57 3kvv n LEU 116 CO 0.63 1.15 -0.27 1.51 -1.33 0.00 0.00 177.39 179.08 3kvv s ASP 117 N -1.35 3.76 -0.19 -1.43 -4.77 -1.21 -1.70 116.67 109.79 3kvv s ASP 117 Ca 0.57 -1.47 0.11 0.00 -3.30 0.00 0.00 52.55 48.47 3kvv s ASP 117 Cb 0.47 -0.06 -0.19 0.00 -1.09 0.00 0.00 42.92 42.05 3kvv s ASP 117 CO 0.07 -0.60 -0.02 0.61 0.70 0.00 0.00 175.17 175.93 3kvv n GLY 118 N -1.03 -0.69 0.23 2.12 0.00 -1.26 -4.65 105.19 99.92 3kvv n GLY 118 Ca -0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.64 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 0.59 1.04 -0.86 4.61 0.00 -1.97 -2.69 119.26 119.97 3kvv h ALA 119 Ca -0.48 -0.37 0.15 0.00 0.00 0.00 0.00 54.91 54.21 3kvv h ALA 119 Cb 1.97 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.58 3kvv h ALA 119 CO -0.01 0.58 0.56 0.66 0.00 0.00 0.00 179.25 181.05 3kvv h SER 120 N 0.42 0.58 0.60 0.00 4.64 -1.85 -0.70 113.55 117.24 3kvv h SER 120 Ca 0.05 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3kvv h SER 120 Cb 0.74 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3kvv h SER 120 CO 0.06 0.29 0.00 -0.07 -0.87 0.00 0.00 176.83 176.24 3kvv h LEU 121 N 0.61 0.00 0.00 5.97 3.38 -1.59 -1.20 115.31 122.47 3kvv h LEU 121 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3kvv h LEU 121 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3kvv h LEU 121 CO -0.18 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.76 3kvv n HIS 122 N -2.94 0.00 -0.03 1.13 8.25 -0.27 -3.92 115.22 117.44 3kvv n HIS 122 Ca -0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 3kvv n HIS 122 Cb 0.21 -0.39 -0.04 0.00 1.12 0.00 0.00 29.99 30.89 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 -1.39 0.00 -3.66 4.41 3.01 -0.55 -5.06 117.46 114.22 3kvv n PHE 123 Ca 0.10 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.41 3kvv n PHE 123 Cb 0.27 -0.27 -0.08 0.00 -0.01 0.00 0.00 39.48 39.39 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 -2.14 -1.28 0.87 4.37 0.00 -0.64 -5.01 121.76 117.93 3kvv s ALA 124 Ca -0.05 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 3kvv s ALA 124 Cb 0.02 -0.27 0.12 0.00 0.00 0.00 0.00 23.12 22.99 3kvv s ALA 124 CO 0.20 -0.29 1.10 -1.25 0.00 0.00 0.00 175.76 175.52 3kvv s PRO 125 N -0.74 1.42 0.48 0.00 0.04 -1.26 -3.91 135.00 131.03 3kvv s PRO 125 Ca -0.08 1.16 0.21 0.00 0.04 0.00 0.00 61.00 62.33 3kvv s PRO 125 Cb -0.03 -1.80 1.23 0.00 0.04 0.00 0.00 34.50 33.94 3kvv s PRO 125 CO 0.05 -2.22 1.95 1.25 0.04 0.00 0.00 177.00 178.07 3kvv h LEU 126 N -1.55 0.19 -1.94 -3.56 5.85 -1.93 -0.90 115.31 111.48 3kvv h LEU 126 Ca -0.46 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3kvv h LEU 126 Cb 1.26 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3kvv h LEU 126 CO 0.49 0.10 0.00 1.05 -0.34 0.00 0.00 178.44 179.74 3kvv h GLU 127 N 0.21 0.00 -6.58 1.25 9.09 -2.03 -3.43 114.58 113.09 3kvv h GLU 127 Ca 0.32 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 59.21 3kvv h GLU 127 Cb 0.98 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.08 3kvv h GLU 127 CO -0.06 0.00 0.49 0.12 0.05 0.00 0.00 179.01 179.61 3kvv s PHE 128 N -3.79 3.55 0.17 2.06 2.19 -0.34 -4.99 117.98 116.81 3kvv s PHE 128 Ca -0.01 1.51 -0.30 0.00 0.33 0.00 0.00 56.93 58.46 3kvv s PHE 128 Cb 0.10 -3.31 -0.07 0.00 -1.31 0.00 0.00 43.02 38.43 3kvv s PHE 128 CO 0.44 -0.78 1.02 -1.25 1.83 0.00 0.00 175.22 176.48 3kvv s PRO 129 N 0.21 4.68 -1.43 10.12 0.04 -1.26 -4.93 135.00 142.43 3kvv s PRO 129 Ca 0.53 1.58 -0.14 0.00 0.04 0.00 0.00 61.00 63.01 3kvv s PRO 129 Cb -0.29 -3.31 0.05 0.00 0.04 0.00 0.00 34.50 30.99 3kvv s PRO 129 CO 0.32 0.20 2.16 0.00 0.04 0.00 0.00 177.00 179.73 3kvv n ALA 130 N 2.35 5.39 -2.85 8.56 0.00 -1.26 -4.74 120.51 127.97 3kvv n ALA 130 Ca 0.02 -3.92 -0.36 0.00 0.00 0.00 0.00 53.44 49.18 3kvv n ALA 130 Cb 0.47 -3.49 -0.06 0.00 0.00 0.00 0.00 19.45 16.37 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 3.00 5.27 0.54 0.00 0.11 -1.26 -1.18 120.40 126.87 3kvv s VAL 131 Ca 0.47 0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 59.39 3kvv s VAL 131 Cb 0.13 -3.32 -0.07 0.00 -1.53 0.00 0.00 36.38 31.59 3kvv s VAL 131 CO -0.07 0.55 1.01 0.00 -3.33 0.00 0.00 175.10 173.26 3kvv s ALA 132 N -1.07 2.95 0.35 1.54 0.00 -0.29 -4.69 121.76 120.54 3kvv s ALA 132 Ca 0.17 0.28 -0.28 0.00 0.00 0.00 0.00 51.96 52.13 3kvv s ALA 132 Cb -0.12 -3.16 -0.11 0.00 0.00 0.00 0.00 23.12 19.73 3kvv s ALA 132 CO 0.07 -0.42 1.40 0.34 0.00 0.00 0.00 175.76 177.15 3kvv s ASP 133 N -2.88 6.56 0.15 0.00 2.15 0.24 -4.92 116.67 117.97 3kvv s ASP 133 Ca 0.61 2.86 -0.11 0.00 0.43 0.00 0.00 52.55 56.34 3kvv s ASP 133 Cb -0.12 -2.66 -0.01 0.00 -0.30 0.00 0.00 42.92 39.83 3kvv s ASP 133 CO 0.32 -0.70 1.53 0.15 -0.17 0.00 0.00 175.17 176.29 3kvv h PHE 134 N 3.25 1.08 -0.59 -5.34 3.04 -1.96 -1.11 116.94 115.31 3kvv h PHE 134 Ca -0.50 -0.27 -0.06 0.00 3.98 0.00 0.00 57.97 61.13 3kvv h PHE 134 Cb 1.23 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 39.47 3kvv h PHE 134 CO 0.55 1.07 0.14 0.93 -2.02 0.00 0.00 178.31 178.98 3kvv h GLU 135 N 0.77 0.95 -0.06 1.11 5.08 -1.96 -0.60 114.58 119.88 3kvv h GLU 135 Ca 0.10 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3kvv h GLU 135 Cb 0.78 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3kvv h GLU 135 CO 0.06 0.88 0.01 0.00 -1.00 0.00 0.00 179.01 178.97 3kvv h THR 137 N -0.12 0.98 -0.24 0.00 2.02 -1.15 -1.18 112.91 113.21 3kvv h THR 137 Ca 0.02 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 67.02 3kvv h THR 137 Cb 0.24 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 3kvv h THR 137 CO 0.00 0.11 0.05 0.74 0.37 0.00 0.00 175.52 176.79 3kvv h THR 138 N 0.61 0.89 -0.90 3.16 2.02 -1.00 -0.48 112.91 117.21 3kvv h THR 138 Ca 0.26 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.41 3kvv h THR 138 Cb 0.14 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 3kvv h THR 138 CO -0.16 0.03 0.59 0.00 0.37 0.00 0.00 175.52 176.35 3kvv h ALA 139 N 1.18 1.17 -0.44 6.16 0.00 -0.79 0.47 119.26 127.01 3kvv h ALA 139 Ca 0.11 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3kvv h ALA 139 Cb 0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3kvv h ALA 139 CO -0.14 0.48 -0.18 -0.07 0.00 0.00 0.00 179.25 179.34 3kvv h LEU 140 N 1.17 0.86 -0.05 0.00 3.38 -0.81 0.11 115.31 119.97 3kvv h LEU 140 Ca 0.35 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3kvv h LEU 140 Cb -0.05 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.46 3kvv h LEU 140 CO -0.10 1.03 -0.09 0.58 0.09 0.00 0.00 178.44 179.95 3kvv h VAL 141 N 0.75 1.42 -0.93 1.22 2.07 -0.63 -1.21 116.25 118.94 3kvv h VAL 141 Ca 0.11 -1.39 0.08 0.00 0.82 0.00 0.00 66.70 66.32 3kvv h VAL 141 Cb 0.70 2.23 -0.06 0.00 -1.52 0.00 0.00 31.29 32.63 3kvv h VAL 141 CO 0.05 0.38 0.60 -0.33 0.02 0.00 0.00 177.57 178.30 3kvv h GLU 142 N -0.35 0.99 -0.38 1.57 5.08 -0.91 -1.87 114.58 118.71 3kvv h GLU 142 Ca 0.00 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3kvv h GLU 142 Cb 0.66 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3kvv h GLU 142 CO 0.02 0.66 -0.10 0.00 -1.00 0.00 0.00 179.01 178.58 3kvv h ALA 143 N 1.51 0.52 -0.48 3.43 0.00 -0.66 -1.87 119.26 121.72 3kvv h ALA 143 Ca 0.41 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kvv h ALA 143 Cb 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3kvv h ALA 143 CO -0.17 0.39 0.13 0.00 0.00 0.00 0.00 179.25 179.60 3kvv h ALA 144 N 0.83 1.33 0.00 0.00 0.00 -0.87 -1.70 119.26 118.86 3kvv h ALA 144 Ca 0.09 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3kvv h ALA 144 Cb 0.62 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kvv h ALA 144 CO 0.04 0.48 -0.47 -0.22 0.00 0.00 0.00 179.25 179.08 3kvv h LYS 145 N 0.69 0.00 -0.45 0.00 3.64 -1.27 -1.39 116.57 117.80 3kvv h LYS 145 Ca 0.16 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 3kvv h LYS 145 Cb 0.24 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3kvv h LYS 145 CO -0.00 0.47 -0.08 1.03 -2.27 0.00 0.00 179.45 178.59 3kvv h SER 146 N 0.00 0.77 -0.13 4.20 0.87 -0.45 -2.71 113.55 116.10 3kvv h SER 146 Ca -0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 3kvv h SER 146 Cb 1.07 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 3kvv h SER 146 CO 0.06 0.89 0.00 2.30 -0.53 0.00 0.00 176.83 179.55 3kvv n ILE 147 N -4.18 0.14 -2.72 2.23 -5.35 -1.06 -4.98 119.36 103.44 3kvv n ILE 147 Ca 0.02 -0.57 -0.14 0.00 -0.27 0.00 0.00 62.75 61.79 3kvv n ILE 147 Cb 0.35 1.36 0.02 0.00 -1.74 0.00 0.00 39.64 39.64 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 1.39 -0.08 3.81 3.28 0.00 -0.73 -5.02 105.19 107.84 3kvv n GLY 148 Ca 0.15 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.93 2.63 -0.39 4.61 0.00 -0.60 -5.00 121.76 120.07 3kvv s ALA 149 Ca 0.19 0.20 -0.28 0.00 0.00 0.00 0.00 51.96 52.06 3kvv s ALA 149 Cb -0.08 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.85 3kvv s ALA 149 CO 0.23 -1.21 1.06 0.99 0.00 0.00 0.00 175.76 176.83 3kvv s THR 150 N -2.86 4.41 -0.03 0.00 2.01 -1.26 -4.80 115.64 113.11 3kvv s THR 150 Ca 0.60 1.39 0.07 0.00 0.31 0.00 0.00 61.69 64.06 3kvv s THR 150 Cb -0.15 -4.47 -0.02 0.00 0.01 0.00 0.00 72.50 67.87 3kvv s THR 150 CO 0.50 -0.70 -0.24 -0.89 -0.69 0.00 0.00 174.62 172.60 3kvv s THR 151 N 3.91 1.94 -0.02 -0.82 2.01 -1.26 -0.52 115.64 120.89 3kvv s THR 151 Ca 0.44 -1.03 0.07 0.00 0.31 0.00 0.00 61.69 61.47 3kvv s THR 151 Cb -0.10 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 3kvv s THR 151 CO 0.22 0.55 -0.21 -1.00 -0.69 0.00 0.00 174.62 173.49 3kvv s HIS 152 N -0.43 1.90 -0.09 4.92 3.76 -0.61 -4.98 115.29 119.75 3kvv s HIS 152 Ca 0.05 -0.36 0.04 0.00 -0.15 0.00 0.00 55.06 54.65 3kvv s HIS 152 Cb -0.11 -1.22 -0.00 0.00 1.11 0.00 0.00 32.58 32.36 3kvv s HIS 152 CO 0.00 -0.03 -0.23 0.08 -0.85 0.00 0.00 174.74 173.71 3kvv s VAL 153 N -0.50 1.96 -3.85 -0.90 1.01 -1.26 -1.15 120.40 115.71 3kvv s VAL 153 Ca 0.08 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3kvv s VAL 153 Cb -0.08 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.60 3kvv s VAL 153 CO -0.01 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3kvv n GLY 154 N 3.45 -0.51 3.84 4.51 0.00 -0.75 -4.96 105.19 110.77 3kvv n GLY 154 Ca -0.19 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.04 4.88 0.03 1.61 1.01 -1.26 -1.03 120.40 122.59 3kvv s VAL 155 Ca 0.00 0.87 0.08 0.00 0.00 0.00 0.00 61.98 62.93 3kvv s VAL 155 Cb 0.00 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 3kvv s VAL 155 CO 0.00 0.36 -0.24 -0.89 0.00 0.00 0.00 175.10 174.32 3kvv s THR 156 N -1.33 1.96 -0.21 3.92 2.01 -0.81 -0.83 115.64 120.34 3kvv s THR 156 Ca 0.34 -1.26 -0.16 0.00 0.31 0.00 0.00 61.69 60.92 3kvv s THR 156 Cb -0.16 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 3kvv s THR 156 CO 0.18 0.36 0.40 0.00 -0.69 0.00 0.00 174.62 174.88 3kvv s ALA 157 N -0.75 3.56 -0.31 7.40 0.00 0.03 0.39 121.76 132.08 3kvv s ALA 157 Ca 0.10 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 3kvv s ALA 157 Cb -0.09 -2.66 0.05 0.00 0.00 0.00 0.00 23.12 20.42 3kvv s ALA 157 CO 0.01 -0.38 0.02 0.45 0.00 0.00 0.00 175.76 175.86 3kvv s SER 158 N 1.16 4.93 -0.09 0.00 0.15 -0.59 -1.72 113.70 117.53 3kvv s SER 158 Ca 0.19 -1.33 -0.03 0.00 0.70 0.00 0.00 55.95 55.48 3kvv s SER 158 Cb -0.15 -1.72 -0.03 0.00 -1.71 0.00 0.00 66.02 62.40 3kvv s SER 158 CO 0.08 -0.28 0.01 -0.55 1.20 0.00 0.00 173.24 173.70 3kvv s SER 159 N 1.29 5.33 0.00 5.45 0.15 0.08 -1.21 113.70 124.80 3kvv s SER 159 Ca -0.04 0.16 0.20 0.00 0.70 0.00 0.00 55.95 56.97 3kvv s SER 159 Cb -0.20 -1.55 1.05 0.00 -1.71 0.00 0.00 66.02 63.61 3kvv s SER 159 CO -0.01 0.37 1.60 0.47 1.20 0.00 0.00 173.24 176.86 3kvv n ASP 160 N 2.22 0.00 -4.08 5.45 9.92 -0.69 -4.37 116.55 125.00 3kvv n ASP 160 Ca -0.19 -0.19 -0.13 0.00 -0.53 0.00 0.00 54.79 53.75 3kvv n ASP 160 Cb 0.54 -0.20 -0.11 0.00 -0.64 0.00 0.00 41.12 40.71 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 -2.39 0.61 0.04 -3.53 2.01 -1.26 -5.02 115.64 106.09 3kvv s THR 161 Ca 0.22 -1.16 0.05 0.00 0.31 0.00 0.00 61.69 61.10 3kvv s THR 161 Cb 0.13 -0.73 -0.24 0.00 0.01 0.00 0.00 72.50 71.67 3kvv s THR 161 CO 0.28 -0.40 0.99 0.15 -0.69 0.00 0.00 174.62 174.95 3kvv h PHE 162 N 4.36 0.16 0.00 4.92 3.57 -1.96 -3.38 116.94 124.61 3kvv h PHE 162 Ca -0.36 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.02 3kvv h PHE 162 Cb 1.20 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3kvv h PHE 162 CO 0.64 1.13 0.00 0.66 -2.23 0.00 0.00 178.31 178.51 3kvv n TYR 163 N -3.31 0.00 -0.08 0.41 4.02 -1.26 -4.31 117.16 112.62 3kvv n TYR 163 Ca -0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.77 3kvv n TYR 163 Cb 1.00 0.00 0.23 0.00 -0.02 0.00 0.00 39.34 40.55 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 0.72 0.00 -0.72 0.13 -1.87 -0.85 132.00 129.41 3kvv h PRO 164 Ca 0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3kvv h PRO 164 Cb 0.00 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.02 3kvv h PRO 164 CO 0.00 0.68 0.00 0.41 -0.23 0.00 0.00 178.00 178.86 3kvv n GLY 165 N -0.85 -1.24 0.93 1.56 0.00 -1.26 -1.09 105.19 103.23 3kvv n GLY 165 Ca 0.03 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.20 3kvv n GLY 165 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kvv n GLN 166 N -2.18 3.08 -4.03 1.61 6.02 -0.83 -4.92 117.38 116.14 3kvv n GLN 166 Ca 0.02 -2.66 -0.29 0.00 -0.01 0.00 0.00 57.00 54.06 3kvv n GLN 166 Cb 0.22 -1.73 -0.02 0.00 1.02 0.00 0.00 30.24 29.73 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 -0.08 -3.49 -2.94 -1.09 2.13 -0.25 -4.91 120.64 110.00 3kvv n GLU 167 Ca 0.19 0.42 -0.40 0.00 0.66 0.00 0.00 57.16 58.03 3kvv n GLU 167 Cb 0.79 -4.80 -0.05 0.00 0.27 0.00 0.00 31.44 27.65 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 -6.67 4.53 0.00 5.31 0.52 -0.38 -4.95 118.95 117.31 3kvv s ARG 168 Ca 0.29 1.13 0.12 0.00 -0.52 0.00 0.00 55.73 56.75 3kvv s ARG 168 Cb -0.15 -3.36 -0.08 0.00 0.52 0.00 0.00 34.95 31.87 3kvv s ARG 168 CO 0.89 0.27 0.60 0.66 0.02 0.00 0.00 175.30 177.75 3kvv n TYR 169 N 2.79 0.00 -1.62 -0.53 4.02 -1.26 -4.46 117.16 116.10 3kvv n TYR 169 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.46 3kvv n TYR 169 Cb 0.50 0.00 -0.01 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 -0.85 5.81 -3.65 7.72 5.75 -1.26 -4.18 116.55 125.88 3kvv n ASP 170 Ca 0.03 -2.77 -0.23 0.00 -0.01 0.00 0.00 54.79 51.82 3kvv n ASP 170 Cb 0.22 -1.61 -0.08 0.00 -1.03 0.00 0.00 41.12 38.63 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 2.55 0.23 0.20 2.12 -4.23 -1.26 -5.01 115.64 110.23 3kvv s THR 171 Ca 0.55 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.95 3kvv s THR 171 Cb 0.15 -2.39 0.13 0.00 1.34 0.00 0.00 72.50 71.72 3kvv s THR 171 CO -0.07 0.00 1.82 0.22 -0.54 0.00 0.00 174.62 176.04 3kvv h TYR 172 N 1.93 0.95 0.02 3.99 5.03 -1.99 -3.02 116.97 123.88 3kvv h TYR 172 Ca -0.29 -0.02 -0.28 0.00 2.58 0.00 0.00 58.73 60.73 3kvv h TYR 172 Cb 1.25 -0.30 -0.04 0.00 1.55 0.00 0.00 36.73 39.19 3kvv h TYR 172 CO 1.74 0.67 -1.51 0.66 -1.32 0.00 0.00 178.16 178.40 3kvv h SER 173 N 0.95 0.08 -0.13 -2.11 4.64 -1.97 -3.48 113.55 111.54 3kvv h SER 173 Ca 0.25 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 3kvv h SER 173 Cb 0.02 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3kvv h SER 173 CO -0.04 1.11 -0.05 0.61 -0.87 0.00 0.00 176.83 177.59 3kvv n GLY 174 N 1.54 0.53 3.32 -0.77 0.00 -1.14 -5.00 105.19 103.66 3kvv n GLY 174 Ca -0.13 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.44 1.29 -0.03 1.61 1.70 -1.26 -4.89 118.95 115.92 3kvv s ARG 175 Ca 0.00 -1.63 0.02 0.00 -0.47 0.00 0.00 55.73 53.65 3kvv s ARG 175 Cb 0.00 -0.64 0.01 0.00 -0.57 0.00 0.00 34.95 33.75 3kvv s ARG 175 CO 0.00 -0.05 -0.07 0.08 -1.08 0.00 0.00 175.30 174.18 3kvv s VAL 176 N -3.38 0.65 0.67 4.99 1.01 -1.26 -4.93 120.40 118.14 3kvv s VAL 176 Ca 0.26 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 3kvv s VAL 176 Cb 0.05 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 3kvv s VAL 176 CO 0.07 0.22 0.97 0.55 0.00 0.00 0.00 175.10 176.91 3kvv n VAL 177 N 3.54 3.35 -0.29 2.92 3.14 -1.26 -4.65 118.33 125.08 3kvv n VAL 177 Ca -0.20 -0.44 0.09 0.00 -2.96 0.00 0.00 64.34 60.83 3kvv n VAL 177 Cb 0.53 -1.13 0.24 0.00 -1.06 0.00 0.00 33.84 32.43 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 0.08 0.46 -0.80 1.45 2.43 -2.00 -1.45 114.38 114.56 3kvv h ARG 178 Ca -0.48 -0.03 0.13 0.00 -0.81 0.00 0.00 59.98 58.79 3kvv h ARG 178 Cb 1.35 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.74 3kvv h ARG 178 CO 0.49 0.31 0.52 1.25 -1.51 0.00 0.00 179.97 181.03 3kvv h HIS 179 N 0.48 0.67 -0.02 2.20 2.76 -2.02 -2.49 115.15 116.72 3kvv h HIS 179 Ca 0.49 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.68 3kvv h HIS 179 Cb 0.81 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.55 3kvv h HIS 179 CO -0.14 0.27 -0.20 1.19 -1.30 0.00 0.00 177.93 177.75 3kvv n PHE 180 N -4.51 0.00 -2.12 5.26 3.01 -0.58 -4.79 117.46 113.73 3kvv n PHE 180 Ca 0.15 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.19 3kvv n PHE 180 Cb 0.45 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.89 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 -2.05 4.29 0.00 -1.08 -0.14 -0.94 -1.80 119.74 118.02 3kvv s LYS 181 Ca 0.22 2.13 0.00 0.00 -1.36 0.00 0.00 55.97 56.96 3kvv s LYS 181 Cb 0.17 -3.30 0.00 0.00 -1.68 0.00 0.00 37.83 33.02 3kvv s LYS 181 CO 0.39 -0.51 0.00 0.41 -0.76 0.00 0.00 175.35 174.88 3kvv n GLY 182 N 3.60 0.43 0.19 -3.33 0.00 -1.26 -4.91 105.19 99.91 3kvv n GLY 182 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 0.73 -0.91 1.61 4.64 -1.66 -2.85 113.55 115.10 3kvv h SER 183 Ca 0.00 -0.51 0.03 0.00 -0.47 0.00 0.00 61.79 60.84 3kvv h SER 183 Cb 0.23 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.05 3kvv h SER 183 CO 0.00 1.29 0.59 -0.03 -0.87 0.00 0.00 176.83 177.81 3kvv h MET 184 N 0.39 1.13 -0.48 4.77 -1.53 -1.91 -1.03 114.93 116.27 3kvv h MET 184 Ca -0.06 -0.07 -0.08 0.00 -3.44 0.00 0.00 59.70 56.06 3kvv h MET 184 Cb 1.44 -0.25 -0.02 0.00 -0.55 0.00 0.00 31.60 32.21 3kvv h MET 184 CO 0.16 0.75 -0.01 1.49 0.14 0.00 0.00 176.91 179.43 3kvv h GLU 185 N 1.16 0.80 0.13 0.39 4.81 -1.96 -0.28 114.58 119.63 3kvv h GLU 185 Ca 0.36 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3kvv h GLU 185 Cb -0.03 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3kvv h GLU 185 CO -0.11 0.81 -0.06 1.49 -0.73 0.00 0.00 179.01 180.41 3kvv h GLU 186 N 0.74 -0.17 -0.64 1.92 4.57 -1.11 -1.03 114.58 118.86 3kvv h GLU 186 Ca 0.14 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.29 3kvv h GLU 186 Cb 0.47 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 3kvv h GLU 186 CO 0.02 -0.06 0.21 -1.49 -1.18 0.00 0.00 179.01 176.51 3kvv h TRP 187 N -0.25 0.98 -0.38 0.92 -0.00 -0.99 -1.14 115.95 115.10 3kvv h TRP 187 Ca -0.02 -0.08 0.04 0.00 -0.00 0.00 0.00 58.89 58.83 3kvv h TRP 187 Cb 0.19 -0.29 -0.04 0.00 -0.00 0.00 0.00 29.16 29.03 3kvv h TRP 187 CO -0.05 0.78 0.17 1.96 -0.00 0.00 0.00 178.44 181.30 3kvv h GLN 188 N 0.93 0.34 0.00 0.49 4.20 -0.91 -1.15 115.11 119.01 3kvv h GLN 188 Ca 0.21 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 3kvv h GLN 188 Cb 0.25 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 3kvv h GLN 188 CO -0.01 0.22 -0.15 0.00 -0.67 0.00 0.00 178.83 178.22 3kvv h ALA 189 N 1.22 1.75 -0.16 3.87 0.00 -0.54 -2.17 119.26 123.22 3kvv h ALA 189 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kvv h ALA 189 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kvv h ALA 189 CO -0.14 0.19 0.00 -1.33 0.00 0.00 0.00 179.25 177.97 3kvv n MET 190 N -4.36 1.52 -0.78 0.00 2.81 -0.49 -4.90 117.12 110.92 3kvv n MET 190 Ca -0.03 -0.79 0.00 0.00 -1.81 0.00 0.00 57.70 55.07 3kvv n MET 190 Cb 0.22 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 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 0.97 0.63 3.73 3.03 0.00 -0.82 -5.01 105.19 107.72 3kvv n GLY 191 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3kvv n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kvv s VAL 192 N -2.09 2.29 0.06 1.61 1.01 -0.51 -4.65 120.40 118.12 3kvv s VAL 192 Ca 0.00 0.22 -0.13 0.00 0.00 0.00 0.00 61.98 62.07 3kvv s VAL 192 Cb 0.00 -3.14 -0.29 0.00 0.00 0.00 0.00 36.38 32.94 3kvv s VAL 192 CO 0.00 0.02 1.10 0.24 0.00 0.00 0.00 175.10 176.47 3kvv h MET 193 N 6.05 0.57 -2.42 2.72 0.00 -1.31 -3.42 114.93 117.11 3kvv h MET 193 Ca -0.44 -0.79 0.13 0.00 0.00 0.00 0.00 59.70 58.59 3kvv h MET 193 Cb 1.21 0.27 -0.11 0.00 0.00 0.00 0.00 31.60 32.97 3kvv h MET 193 CO 0.88 1.36 0.44 0.54 0.00 0.00 0.00 176.91 180.13 3kvv s ASN 194 N -7.41 -0.29 -0.09 1.22 4.22 -1.26 -1.17 114.94 110.17 3kvv s ASN 194 Ca -0.09 -0.24 -0.01 0.00 -2.14 0.00 0.00 52.86 50.39 3kvv s ASN 194 Cb 0.06 0.48 -0.03 0.00 1.28 0.00 0.00 41.25 43.03 3kvv s ASN 194 CO 0.93 -0.84 -0.03 -0.31 -2.04 0.00 0.00 177.10 174.81 3kvv s TYR 195 N -3.31 3.05 0.03 1.54 1.51 -0.03 -0.79 117.35 119.35 3kvv s TYR 195 Ca 0.09 0.03 -0.00 0.00 -1.01 0.00 0.00 57.07 56.17 3kvv s TYR 195 Cb -0.02 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 3kvv s TYR 195 CO -0.03 0.31 0.04 -0.85 -1.11 0.00 0.00 175.55 173.92 3kvv n GLU 196 N 2.46 0.06 0.00 -0.62 -0.00 -0.70 -2.49 120.64 119.36 3kvv n GLU 196 Ca -0.18 -0.24 0.00 0.00 -0.00 0.00 0.00 57.16 56.74 3kvv n GLU 196 Cb 0.53 0.23 0.00 0.00 -0.00 0.00 0.00 31.44 32.20 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 -0.05 1.47 0.00 3.44 2.81 -1.26 -0.74 117.12 122.79 3kvv n MET 197 Ca 0.00 -1.02 0.00 0.00 -1.81 0.00 0.00 57.70 54.87 3kvv n MET 197 Cb 0.05 -0.88 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 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 -0.28 3.29 -0.07 0.03 4.71 -1.26 -3.41 120.64 123.66 3kvv n GLU 198 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.09 3kvv n GLU 198 Cb 0.24 -0.62 0.14 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 0.70 -0.63 1.62 4.64 -1.94 -1.68 113.55 116.26 3kvv h SER 199 Ca 0.00 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3kvv h SER 199 Cb 0.00 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.87 3kvv h SER 199 CO 0.00 0.88 0.41 0.00 -0.87 0.00 0.00 176.83 177.25 3kvv h ALA 200 N 1.18 0.80 -0.01 5.18 0.00 -1.87 0.20 119.26 124.74 3kvv h ALA 200 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kvv h ALA 200 Cb 0.65 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kvv h ALA 200 CO 0.05 0.24 0.00 1.15 0.00 0.00 0.00 179.25 180.69 3kvv h THR 201 N 0.86 1.23 0.04 0.00 2.02 -1.88 -1.80 112.91 113.38 3kvv h THR 201 Ca 0.23 -0.68 0.01 0.00 0.77 0.00 0.00 66.41 66.74 3kvv h THR 201 Cb -0.09 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3kvv h THR 201 CO -0.05 0.18 -0.09 0.25 0.37 0.00 0.00 175.52 176.18 3kvv h LEU 202 N -0.27 -0.23 -0.62 2.58 5.85 -1.02 -0.86 115.31 120.74 3kvv h LEU 202 Ca 0.00 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 3kvv h LEU 202 Cb 0.29 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3kvv h LEU 202 CO 0.00 -0.13 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.59 3kvv h LEU 203 N -0.17 0.78 -0.03 2.25 3.38 -0.65 -2.01 115.31 118.86 3kvv h LEU 203 Ca 0.02 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3kvv h LEU 203 Cb 0.19 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3kvv h LEU 203 CO -0.06 1.04 -0.04 0.74 0.09 0.00 0.00 178.44 180.21 3kvv h THR 204 N 0.64 1.39 -0.14 0.22 2.02 -1.21 -0.29 112.91 115.53 3kvv h THR 204 Ca 0.07 -1.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.02 3kvv h THR 204 Cb 0.84 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.37 3kvv h THR 204 CO 0.07 0.33 0.00 0.00 0.37 0.00 0.00 175.52 176.29 3kvv h MET 205 N -0.39 0.19 0.14 6.66 -0.00 -1.16 -2.14 114.93 118.24 3kvv h MET 205 Ca 0.00 -0.02 -0.22 0.00 -0.00 0.00 0.00 59.70 59.47 3kvv h MET 205 Cb 0.55 -0.04 0.02 0.00 -0.00 0.00 0.00 31.60 32.13 3kvv h MET 205 CO 0.01 0.21 -0.99 0.00 -0.00 0.00 0.00 176.91 176.14 3kvv h ALA 207 N 0.06 1.15 -0.39 0.00 0.00 -0.87 -1.55 119.26 117.65 3kvv h ALA 207 Ca -0.19 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kvv h ALA 207 Cb 1.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3kvv h ALA 207 CO 0.14 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.35 3kvv n SER 208 N -3.39 3.42 -0.06 0.00 3.41 -0.82 -4.29 113.62 111.88 3kvv n SER 208 Ca -0.01 -1.99 0.01 0.00 -0.26 0.00 0.00 58.87 56.62 3kvv n SER 208 Cb 0.23 -0.25 0.01 0.00 -0.26 0.00 0.00 64.21 63.94 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 1.46 1.04 -1.08 4.33 6.02 -0.81 -5.01 117.38 123.34 3kvv n GLN 209 Ca 0.20 -1.03 -0.03 0.00 -0.01 0.00 0.00 57.00 56.13 3kvv n GLN 209 Cb 0.60 -0.73 -0.01 0.00 1.02 0.00 0.00 30.24 31.12 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 -0.27 0.60 3.86 1.08 0.00 -1.05 -5.03 105.19 104.38 3kvv n GLY 210 Ca 0.01 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.61 4.21 -0.04 0.99 1.43 -0.65 -5.06 118.68 118.95 3kvv s LEU 211 Ca 0.00 0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 53.21 3kvv s LEU 211 Cb 0.00 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.69 3kvv s LEU 211 CO 0.00 0.27 0.46 -0.13 0.23 0.00 0.00 176.35 177.18 3kvv s ARG 212 N -1.83 4.14 -0.03 1.70 0.52 -0.13 -4.06 118.95 119.26 3kvv s ARG 212 Ca 0.25 0.48 -0.04 0.00 -0.52 0.00 0.00 55.73 55.91 3kvv s ARG 212 Cb -0.12 -3.31 0.01 0.00 0.52 0.00 0.00 34.95 32.04 3kvv s ARG 212 CO 0.16 0.47 0.10 0.00 0.02 0.00 0.00 175.30 176.04 3kvv s ALA 213 N -0.39 -0.23 0.30 2.13 0.00 -1.26 -0.18 121.76 122.13 3kvv s ALA 213 Ca 0.25 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.39 3kvv s ALA 213 Cb -0.17 -0.10 -0.06 0.00 0.00 0.00 0.00 23.12 22.80 3kvv s ALA 213 CO 0.13 -0.08 0.07 0.20 0.00 0.00 0.00 175.76 176.08 3kvv s GLY 214 N -0.29 1.95 -0.14 0.00 0.00 -0.45 -0.59 107.32 107.80 3kvv s GLY 214 Ca -0.04 -1.99 -0.05 0.00 0.00 0.00 0.00 44.72 42.64 3kvv s GLY 214 CO 0.00 -1.74 0.29 -0.29 0.00 0.00 0.00 173.10 171.36 3kvv s MET 215 N -3.94 0.18 0.05 2.90 1.75 -1.26 -1.40 119.30 117.58 3kvv s MET 215 Ca 0.37 0.80 0.04 0.00 -1.25 0.00 0.00 55.69 55.64 3kvv s MET 215 Cb 0.08 0.02 -0.02 0.00 2.84 0.00 0.00 34.83 37.75 3kvv s MET 215 CO 0.15 -0.28 -0.12 0.54 -0.65 0.00 0.00 175.02 174.65 3kvv s VAL 216 N 2.46 0.91 -0.00 10.11 0.11 -0.29 -1.68 120.40 132.01 3kvv s VAL 216 Ca 0.01 -1.06 -0.12 0.00 -2.93 0.00 0.00 61.98 57.88 3kvv s VAL 216 Cb -0.12 -0.88 0.01 0.00 -1.53 0.00 0.00 36.38 33.87 3kvv s VAL 216 CO -0.09 -0.16 0.24 0.00 -3.33 0.00 0.00 175.10 171.76 3kvv s ALA 217 N -1.06 -0.59 -0.12 1.54 0.00 -0.19 -1.21 121.76 120.12 3kvv s ALA 217 Ca -0.02 0.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.90 3kvv s ALA 217 Cb -0.09 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 3kvv s ALA 217 CO 0.01 -0.25 0.38 0.20 0.00 0.00 0.00 175.76 176.10 3kvv s GLY 218 N -1.40 2.32 -0.23 0.00 0.00 -0.42 -0.77 107.32 106.82 3kvv s GLY 218 Ca -0.14 -0.32 -0.29 0.00 0.00 0.00 0.00 44.72 43.98 3kvv s GLY 218 CO 0.03 0.52 1.43 0.14 0.00 0.00 0.00 173.10 175.21 3kvv s VAL 219 N 0.29 3.97 -0.92 1.40 1.01 -0.57 -2.13 120.40 123.46 3kvv s VAL 219 Ca 0.21 1.12 0.12 0.00 0.00 0.00 0.00 61.98 63.44 3kvv s VAL 219 Cb -0.14 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 3kvv s VAL 219 CO 0.08 -0.32 0.64 2.30 0.00 0.00 0.00 175.10 177.80 3kvv n ILE 220 N 6.06 0.00 -3.57 2.22 -5.35 -0.54 -1.75 119.36 116.42 3kvv n ILE 220 Ca 0.16 -0.31 -0.12 0.00 -0.27 0.00 0.00 62.75 62.21 3kvv n ILE 220 Cb 0.45 1.09 -0.04 0.00 -1.74 0.00 0.00 39.64 39.40 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 -1.81 0.04 -0.17 7.28 0.11 -1.23 -4.85 120.40 119.77 3kvv s VAL 221 Ca 0.08 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.79 3kvv s VAL 221 Cb 0.10 -1.06 0.03 0.00 -1.53 0.00 0.00 36.38 33.92 3kvv s VAL 221 CO 0.39 -0.19 -0.14 0.21 -3.33 0.00 0.00 175.10 172.04 3kvv s ASN 222 N -2.49 3.00 0.00 3.54 3.84 -1.26 -1.15 114.94 120.42 3kvv s ASN 222 Ca -0.00 -0.65 0.08 0.00 0.21 0.00 0.00 52.86 52.50 3kvv s ASN 222 Cb 0.00 -1.26 0.47 0.00 -0.55 0.00 0.00 41.25 39.92 3kvv s ASN 222 CO -0.09 -0.07 0.94 0.54 -2.79 0.00 0.00 177.10 175.63 3kvv n ARG 223 N 4.71 0.52 -0.00 0.43 5.12 0.64 -2.42 116.66 125.66 3kvv n ARG 223 Ca -0.17 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.76 3kvv n ARG 223 Cb 0.49 -1.24 -0.02 0.00 -1.16 0.00 0.00 32.46 30.53 3kvv n ARG 223 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3kvv n THR 224 N -0.74 0.05 0.00 0.55 -2.24 -1.26 -5.03 114.28 105.61 3kvv n THR 224 Ca 0.06 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3kvv n THR 224 Cb 0.03 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 -1.74 0.00 0.00 -0.78 6.02 -1.02 -5.06 117.38 114.80 3kvv n GLN 225 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3kvv n GLN 225 Cb 0.23 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.49 3kvv n GLN 225 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3kvv n ASN 230 N 0.00 0.00 0.20 1.08 5.15 -1.26 -4.84 115.26 115.59 3kvv n ASN 230 Ca 0.00 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.12 3kvv n ASN 230 Cb 0.00 0.00 0.50 0.00 -0.53 0.00 0.00 39.78 39.75 3kvv n ASN 230 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kvv h ALA 231 N 0.00 1.00 0.21 5.20 0.00 -2.00 -2.64 119.26 121.03 3kvv h ALA 231 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 3kvv h ALA 231 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.82 3kvv h ALA 231 CO 0.00 0.00 -1.41 1.49 0.00 0.00 0.00 179.25 179.33 3kvv h GLU 232 N 0.00 0.45 -0.79 0.00 4.81 -2.04 -3.31 114.58 113.70 3kvv h GLU 232 Ca 0.00 -0.77 -0.01 0.00 -0.13 0.00 0.00 59.36 58.45 3kvv h GLU 232 Cb 0.60 0.29 -0.04 0.00 0.63 0.00 0.00 28.75 30.22 3kvv h GLU 232 CO 0.00 1.37 0.44 1.15 -0.73 0.00 0.00 179.01 181.24 3kvv h THR 233 N 0.01 1.23 -0.56 0.32 2.02 -1.97 -1.33 112.91 112.63 3kvv h THR 233 Ca -0.26 -0.56 0.16 0.00 0.77 0.00 0.00 66.41 66.53 3kvv h THR 233 Cb 2.03 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 3kvv h THR 233 CO 0.22 0.25 0.47 0.24 0.37 0.00 0.00 175.52 177.07 3kvv h MET 234 N 1.10 0.00 0.20 6.66 2.86 -1.56 0.28 114.93 124.48 3kvv h MET 234 Ca 0.28 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.60 3kvv h MET 234 Cb 0.01 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.69 3kvv h MET 234 CO -0.05 0.00 -1.47 0.87 1.06 0.00 0.00 176.91 177.32 3kvv h LYS 235 N 0.00 0.43 -0.29 1.72 1.57 -1.35 -2.96 116.57 115.69 3kvv h LYS 235 Ca 0.27 -0.73 -0.19 0.00 -1.87 0.00 0.00 60.65 58.13 3kvv h LYS 235 Cb 1.20 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.78 3kvv h LYS 235 CO -0.00 1.34 -0.56 0.37 -0.57 0.00 0.00 179.45 180.03 3kvv h GLN 236 N 0.12 0.88 -0.15 3.15 4.15 -0.71 -2.60 115.11 119.94 3kvv h GLN 236 Ca -0.24 -0.57 -0.01 0.00 0.77 0.00 0.00 58.65 58.61 3kvv h GLN 236 Cb 2.10 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.85 3kvv h GLN 236 CO 0.23 1.20 0.07 1.15 -1.93 0.00 0.00 178.83 179.56 3kvv h THR 237 N 0.67 1.13 -0.35 2.39 2.02 -0.67 -1.46 112.91 116.63 3kvv h THR 237 Ca 0.01 -0.37 0.08 0.00 0.77 0.00 0.00 66.41 66.90 3kvv h THR 237 Cb 1.17 1.10 -0.08 0.00 -1.74 0.00 0.00 68.15 68.60 3kvv h THR 237 CO 0.12 0.12 -0.20 -0.08 0.37 0.00 0.00 175.52 175.85 3kvv h GLU 238 N 0.12 -0.14 -0.77 6.66 4.81 -1.52 -0.20 114.58 123.53 3kvv h GLU 238 Ca 0.05 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3kvv h GLU 238 Cb 0.13 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 3kvv h GLU 238 CO -0.01 -0.09 0.46 0.77 -0.73 0.00 0.00 179.01 179.41 3kvv h SER 239 N -0.15 0.92 -0.51 1.04 0.02 -1.31 0.18 113.55 113.74 3kvv h SER 239 Ca 0.18 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3kvv h SER 239 Cb 0.42 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3kvv h SER 239 CO -0.44 0.71 0.32 -0.74 -1.14 0.00 0.00 176.83 175.55 3kvv h HIS 240 N 1.06 0.65 -0.20 3.45 2.76 -0.30 -2.11 115.15 120.47 3kvv h HIS 240 Ca 0.28 0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 58.28 3kvv h HIS 240 Cb -0.04 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 28.70 3kvv h HIS 240 CO 0.00 0.43 -0.57 0.00 -1.30 0.00 0.00 177.93 176.49 3kvv h ALA 241 N 1.17 0.63 -0.57 5.26 0.00 -0.08 -2.94 119.26 122.73 3kvv h ALA 241 Ca 0.18 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3kvv h ALA 241 Cb -0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3kvv h ALA 241 CO -0.04 0.69 0.32 0.28 0.00 0.00 0.00 179.25 180.50 3kvv h VAL 242 N 0.47 1.19 -0.57 0.00 2.07 -0.56 -2.17 116.25 116.67 3kvv h VAL 242 Ca 0.00 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 3kvv h VAL 242 Cb 1.13 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3kvv h VAL 242 CO 0.11 0.20 0.09 0.11 0.02 0.00 0.00 177.57 178.10 3kvv h LYS 243 N 0.77 0.92 -0.42 1.57 1.57 -1.33 -2.32 116.57 117.34 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 0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3kvv h LYS 243 CO -0.03 0.86 0.17 0.82 -0.57 0.00 0.00 179.45 180.70 3kvv h ILE 244 N 0.87 1.20 -0.08 1.86 2.04 -1.33 -0.69 117.51 121.38 3kvv h ILE 244 Ca 0.18 -0.60 -0.13 0.00 1.00 0.00 0.00 64.86 65.31 3kvv h ILE 244 Cb 0.39 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3kvv h ILE 244 CO 0.01 0.22 -0.52 1.62 0.00 0.00 0.00 178.15 179.48 3kvv h VAL 245 N 0.54 1.36 -0.25 1.67 3.04 -1.20 0.16 116.25 121.57 3kvv h VAL 245 Ca 0.14 -1.78 -0.06 0.00 -1.01 0.00 0.00 66.70 63.99 3kvv h VAL 245 Cb 0.18 1.87 -0.01 0.00 -2.01 0.00 0.00 31.29 31.33 3kvv h VAL 245 CO -0.01 0.53 -0.06 0.58 -1.01 0.00 0.00 177.57 177.59 3kvv h VAL 246 N 0.17 1.28 -0.75 1.51 2.07 -1.34 -0.42 116.25 118.77 3kvv h VAL 246 Ca 0.00 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 3kvv h VAL 246 Cb 0.97 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 3kvv h VAL 246 CO 0.08 0.34 0.43 -0.08 0.02 0.00 0.00 177.57 178.35 3kvv h GLU 247 N 0.23 1.03 -0.39 1.57 4.57 -0.82 -1.99 114.58 118.78 3kvv h GLU 247 Ca 0.06 -0.10 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 3kvv h GLU 247 Cb 0.53 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3kvv h GLU 247 CO 0.03 0.74 -0.04 0.00 -1.18 0.00 0.00 179.01 178.56 3kvv h ALA 248 N 1.43 0.52 -0.79 2.92 0.00 -0.56 -2.82 119.26 119.97 3kvv h ALA 248 Ca 0.27 -0.28 0.14 0.00 0.00 0.00 0.00 54.91 55.03 3kvv h ALA 248 Cb -0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.56 3kvv h ALA 248 CO -0.05 0.34 0.37 0.00 0.00 0.00 0.00 179.25 179.91 3kvv h ALA 249 N 0.86 1.15 0.00 0.00 0.00 -0.59 -0.15 119.26 120.53 3kvv h ALA 249 Ca 0.10 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kvv h ALA 249 Cb 0.53 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3kvv h ALA 249 CO 0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 179.25 179.09 3kvv h ARG 250 N 0.54 0.00 -0.00 0.00 3.08 -1.11 -1.10 114.38 115.79 3kvv h ARG 250 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 3kvv h ARG 250 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3kvv h ARG 250 CO -0.37 0.06 -0.26 0.54 -1.07 0.00 0.00 179.97 178.87 3kvv n ARG 251 N -3.96 0.47 -0.03 0.04 1.74 -0.09 -3.82 116.66 111.01 3kvv n ARG 251 Ca -0.03 -0.23 0.05 0.00 -0.77 0.00 0.00 57.85 56.88 3kvv n ARG 251 Cb 0.15 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.15 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 -1.07 2.01 0.00 0.55 4.77 -0.43 -5.04 117.00 117.80 3kvv n LEU 252 Ca 0.10 -1.19 0.10 0.00 -0.03 0.00 0.00 56.01 54.99 3kvv n LEU 252 Cb 0.32 -0.04 0.58 0.00 -2.33 0.00 0.00 43.42 41.95 3kvv n LEU 252 CO 0.28 0.42 0.78 0.18 -1.33 0.00 0.00 177.39 177.72