#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kgp s ASN 3 N 0.00 4.02 0.57 -3.46 0.01 -1.26 -5.01 114.94 109.81 1kgp s ASN 3 Ca 0.00 -0.34 0.27 0.00 -0.71 0.00 0.00 52.86 52.09 1kgp s ASN 3 Cb 0.00 -0.75 1.56 0.00 0.41 0.00 0.00 41.25 42.47 1kgp s ASN 3 CO 0.00 0.27 2.05 -0.08 -1.51 0.00 0.00 177.10 177.83 1kgp h GLU 4 N 4.61 0.00 -0.70 -0.60 4.81 -2.09 -1.63 114.58 118.98 1kgp h GLU 4 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1kgp h GLU 4 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1kgp h GLU 4 CO 0.49 0.00 0.00 2.48 -0.73 0.00 0.00 179.01 181.25 1kgp n TYR 5 N -3.94 1.21 -0.11 0.92 0.18 -1.26 -4.51 117.16 109.65 1kgp n TYR 5 Ca 0.04 -0.54 -0.11 0.00 1.88 0.00 0.00 57.90 59.18 1kgp n TYR 5 Cb 0.42 -0.11 -0.03 0.00 -0.38 0.00 0.00 39.34 39.24 1kgp n TYR 5 CO 0.00 0.00 0.00 -0.44 -2.08 0.00 0.00 176.86 174.34 1kgp h ASP 6 N 4.18 0.55 0.06 9.48 3.45 -1.71 -2.71 116.42 129.72 1kgp h ASP 6 Ca 0.00 -0.28 -0.00 0.00 0.43 0.00 0.00 57.03 57.17 1kgp h ASP 6 Cb 1.19 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.81 1kgp h ASP 6 CO 0.11 0.70 -0.03 -0.08 -1.57 0.00 0.00 179.24 178.37 1kgp h GLU 7 N 0.38 -0.07 -0.13 3.56 4.81 -1.80 -0.97 114.58 120.36 1kgp h GLU 7 Ca 0.10 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1kgp h GLU 7 Cb 0.40 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.73 1kgp h GLU 7 CO 0.01 -0.01 -0.35 -0.92 -0.73 0.00 0.00 179.01 177.01 1kgp h TYR 8 N -0.12 -0.97 -0.76 0.92 3.20 -1.85 0.22 116.97 117.61 1kgp h TYR 8 Ca -0.01 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.93 1kgp h TYR 8 Cb 0.10 0.45 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 1kgp h TYR 8 CO -0.06 -0.42 0.50 0.82 -1.64 0.00 0.00 178.16 177.36 1kgp h ILE 9 N -0.43 1.13 -0.12 1.81 2.04 -1.39 -0.43 117.51 120.12 1kgp h ILE 9 Ca 0.09 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 1kgp h ILE 9 Cb 0.57 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1kgp h ILE 9 CO -0.36 0.17 -0.35 0.00 0.00 0.00 0.00 178.15 177.61 1kgp h ALA 10 N 1.55 1.20 -0.01 1.87 0.00 -0.08 -2.82 119.26 120.97 1kgp h ALA 10 Ca 0.30 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1kgp h ALA 10 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1kgp h ALA 10 CO -0.08 0.54 -0.19 0.09 0.00 0.00 0.00 179.25 179.61 1kgp n ASN 11 N -4.08 0.79 -3.38 0.00 5.03 0.67 -4.44 115.26 109.85 1kgp n ASN 11 Ca -0.01 -0.75 -0.26 0.00 0.87 0.00 0.00 54.58 54.42 1kgp n ASN 11 Cb 0.43 0.04 -0.08 0.00 -1.02 0.00 0.00 39.78 39.15 1kgp n ASN 11 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1kgp n HIS 12 N -0.77 1.73 0.15 3.10 8.25 -0.30 -4.93 115.22 122.45 1kgp n HIS 12 Ca 0.13 -3.88 -0.00 0.00 -0.26 0.00 0.00 57.72 53.71 1kgp n HIS 12 Cb 0.32 -0.42 0.23 0.00 1.12 0.00 0.00 29.99 31.24 1kgp n HIS 12 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kgp h THR 13 N 2.99 1.38 -4.14 1.59 1.03 -1.78 -3.46 112.91 110.53 1kgp h THR 13 Ca 0.15 -1.84 -0.53 0.00 -0.01 0.00 0.00 66.41 64.18 1kgp h THR 13 Cb 0.77 1.99 0.13 0.00 -1.07 0.00 0.00 68.15 69.97 1kgp h THR 13 CO 0.65 0.53 0.43 -1.81 -0.01 0.00 0.00 175.52 175.30 1kgp s ASP 14 N -6.87 4.81 0.43 0.00 1.01 -1.26 -4.98 116.67 109.81 1kgp s ASP 14 Ca -0.02 2.31 -0.22 0.00 0.71 0.00 0.00 52.55 55.33 1kgp s ASP 14 Cb 0.13 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.39 1kgp s ASP 14 CO 0.75 -1.85 1.04 -2.84 0.21 0.00 0.00 175.17 172.48 1kgp s PRO 15 N -3.67 4.03 -0.04 8.23 0.02 -1.26 -5.00 135.00 137.30 1kgp s PRO 15 Ca 0.75 1.42 -0.23 0.00 0.02 0.00 0.00 61.00 62.95 1kgp s PRO 15 Cb -0.28 -2.35 -0.04 0.00 0.02 0.00 0.00 34.50 31.85 1kgp s PRO 15 CO 0.39 -0.24 0.70 0.08 -0.33 0.00 0.00 177.00 177.60 1kgp s VAL 16 N -1.82 4.99 0.01 3.83 1.01 -1.26 -5.04 120.40 122.11 1kgp s VAL 16 Ca 0.62 1.46 -0.05 0.00 0.00 0.00 0.00 61.98 64.01 1kgp s VAL 16 Cb -0.19 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 1kgp s VAL 16 CO 0.23 0.28 0.25 -0.54 0.00 0.00 0.00 175.10 175.32 1kgp s LYS 17 N 0.60 3.54 0.08 2.72 1.02 -1.26 -5.10 119.74 121.33 1kgp s LYS 17 Ca 0.37 -0.15 -0.07 0.00 0.02 0.00 0.00 55.97 56.15 1kgp s LYS 17 Cb -0.18 -3.08 -0.05 0.00 -0.52 0.00 0.00 37.83 34.00 1kgp s LYS 17 CO 0.19 0.65 0.35 0.00 -0.92 0.00 0.00 175.35 175.62 1kgp s ALA 18 N -1.32 3.80 0.30 5.17 0.00 -1.26 -5.05 121.76 123.39 1kgp s ALA 18 Ca 0.28 -0.52 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 1kgp s ALA 18 Cb -0.13 -2.14 -0.10 0.00 0.00 0.00 0.00 23.12 20.75 1kgp s ALA 18 CO 0.17 0.64 1.29 -1.50 0.00 0.00 0.00 175.76 176.36 1kgp s ILE 19 N -1.47 2.89 -0.27 0.00 2.07 -1.26 -5.00 121.20 118.16 1kgp s ILE 19 Ca 0.34 0.86 0.01 0.00 -1.41 0.00 0.00 60.65 60.46 1kgp s ILE 19 Cb -0.13 -3.55 0.08 0.00 0.13 0.00 0.00 42.46 38.99 1kgp s ILE 19 CO 0.20 0.19 -0.01 0.21 -1.91 0.00 0.00 174.94 173.63 1kgp s ASN 20 N -0.35 4.12 0.00 4.50 3.84 -1.26 -4.98 114.94 120.81 1kgp s ASN 20 Ca 0.50 -1.49 0.26 0.00 0.21 0.00 0.00 52.86 52.34 1kgp s ASN 20 Cb -0.38 -1.24 1.55 0.00 -0.55 0.00 0.00 41.25 40.63 1kgp s ASN 20 CO 0.48 -0.30 1.98 0.79 -2.79 0.00 0.00 177.10 177.26 1kgp n TRP 21 N 4.60 0.00 0.71 0.43 7.02 -1.26 -2.88 117.44 126.05 1kgp n TRP 21 Ca -0.07 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.54 1kgp n TRP 21 Cb 0.43 0.00 0.31 0.00 -2.42 0.00 0.00 31.31 29.63 1kgp n TRP 21 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1kgp n ASN 22 N -0.92 0.61 -3.88 -0.99 5.15 -1.26 -4.60 115.26 109.37 1kgp n ASN 22 Ca 0.19 0.25 -0.30 0.00 -0.60 0.00 0.00 54.58 54.12 1kgp n ASN 22 Cb 0.09 -0.19 -0.15 0.00 -0.53 0.00 0.00 39.78 39.00 1kgp n ASN 22 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1kgp s VAL 23 N -3.10 1.36 -0.42 3.44 1.01 -1.14 -5.10 120.40 116.45 1kgp s VAL 23 Ca 0.09 -1.35 -0.02 0.00 0.00 0.00 0.00 61.98 60.70 1kgp s VAL 23 Cb 0.14 -1.80 0.11 0.00 0.00 0.00 0.00 36.38 34.83 1kgp s VAL 23 CO 0.66 -0.33 0.20 -0.63 0.00 0.00 0.00 175.10 175.00 1kgp s ILE 24 N 1.43 3.19 0.23 2.22 -1.09 -1.26 -4.86 121.20 121.05 1kgp s ILE 24 Ca 0.01 -2.17 -0.07 0.00 -2.23 0.00 0.00 60.65 56.19 1kgp s ILE 24 Cb -0.18 -3.19 0.18 0.00 -1.58 0.00 0.00 42.46 37.68 1kgp s ILE 24 CO -0.11 -0.70 1.81 -0.65 -1.23 0.00 0.00 174.94 174.06 1kgp h PRO 25 N 7.91 0.71 -4.82 2.79 0.11 -1.99 -3.38 132.00 133.33 1kgp h PRO 25 Ca -0.11 -0.04 -0.66 0.00 0.11 0.00 0.00 66.00 65.29 1kgp h PRO 25 Cb 1.04 -0.16 -0.37 0.00 0.11 0.00 0.00 31.00 31.61 1kgp h PRO 25 CO 0.68 0.47 -0.80 0.34 -0.21 0.00 0.00 178.00 178.48 1kgp s ASP 26 N -5.60 4.38 0.60 -2.05 -1.08 -1.26 -4.99 116.67 106.67 1kgp s ASP 26 Ca -0.13 -1.37 0.35 0.00 -0.52 0.00 0.00 52.55 50.88 1kgp s ASP 26 Cb 0.18 -1.51 1.92 0.00 -1.46 0.00 0.00 42.92 42.05 1kgp s ASP 26 CO 0.77 -0.19 2.24 -0.33 0.52 0.00 0.00 175.17 178.18 1kgp h GLU 27 N 7.79 0.00 -0.85 4.34 5.08 -2.03 -2.35 114.58 126.57 1kgp h GLU 27 Ca -0.19 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1kgp h GLU 27 Cb 1.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 1kgp h GLU 27 CO 0.46 0.03 0.55 -0.22 -1.00 0.00 0.00 179.01 178.83 1kgp h LYS 28 N 0.00 0.96 -0.65 2.33 1.63 -1.96 -1.87 116.57 117.02 1kgp h LYS 28 Ca -0.00 -0.06 0.04 0.00 -0.85 0.00 0.00 60.65 59.78 1kgp h LYS 28 Cb 0.11 -0.22 -0.05 0.00 -0.60 0.00 0.00 32.23 31.48 1kgp h LYS 28 CO 0.00 0.64 0.39 -0.44 -3.45 0.00 0.00 179.45 176.59 1kgp h ASP 29 N 0.99 0.61 0.37 4.20 3.32 -1.82 0.41 116.42 124.51 1kgp h ASP 29 Ca 0.35 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.25 1kgp h ASP 29 Cb 0.13 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1kgp h ASP 29 CO -0.12 0.42 -0.69 0.25 -1.72 0.00 0.00 179.24 177.38 1kgp h LEU 30 N 0.74 0.34 -0.50 1.55 5.85 -1.60 -0.11 115.31 121.58 1kgp h LEU 30 Ca 0.27 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1kgp h LEU 30 Cb 0.08 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1kgp h LEU 30 CO -0.13 0.93 0.18 -0.33 -0.34 0.00 0.00 178.44 178.75 1kgp h GLU 31 N 0.20 0.76 -0.26 1.25 5.08 -0.80 -0.33 114.58 120.48 1kgp h GLU 31 Ca -0.02 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 1kgp h GLU 31 Cb 1.24 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1kgp h GLU 31 CO 0.11 0.69 -0.44 0.28 -1.00 0.00 0.00 179.01 178.66 1kgp h VAL 32 N 0.67 1.30 -0.47 3.13 2.07 -0.83 -1.35 116.25 120.77 1kgp h VAL 32 Ca 0.16 -1.63 0.03 0.00 0.82 0.00 0.00 66.70 66.08 1kgp h VAL 32 Cb 0.23 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1kgp h VAL 32 CO -0.01 0.52 0.26 -0.25 0.02 0.00 0.00 177.57 178.11 1kgp h TRP 33 N 0.49 0.48 -0.66 1.57 2.91 -0.85 -0.41 115.95 119.48 1kgp h TRP 33 Ca 0.02 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.00 1kgp h TRP 33 Cb 1.04 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 29.51 1kgp h TRP 33 CO 0.08 0.26 0.19 -0.44 -1.03 0.00 0.00 178.44 177.50 1kgp h ASP 34 N 0.52 0.98 -0.21 2.65 3.32 -0.98 -1.36 116.42 121.35 1kgp h ASP 34 Ca 0.20 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1kgp h ASP 34 Cb 0.06 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1kgp h ASP 34 CO -0.11 0.94 0.04 -0.09 -1.72 0.00 0.00 179.24 178.30 1kgp h ARG 35 N 0.97 0.34 -0.08 3.56 9.65 -0.88 -1.65 114.38 126.29 1kgp h ARG 35 Ca 0.21 -0.09 -0.02 0.00 -1.10 0.00 0.00 59.98 58.98 1kgp h ARG 35 Cb 0.33 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1kgp h ARG 35 CO -0.00 0.48 -0.03 -0.07 2.80 0.00 0.00 179.97 183.15 1kgp h LEU 36 N 0.14 0.17 -1.09 3.80 3.38 -0.99 -2.12 115.31 118.59 1kgp h LEU 36 Ca 0.06 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 1kgp h LEU 36 Cb 0.30 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1kgp h LEU 36 CO 0.00 0.52 -0.16 0.71 0.09 0.00 0.00 178.44 179.61 1kgp h THR 37 N -0.19 1.23 0.00 0.22 1.35 -1.33 -1.98 112.91 112.20 1kgp h THR 37 Ca 0.02 -1.06 -0.04 0.00 -0.55 0.00 0.00 66.41 64.78 1kgp h THR 37 Cb 0.46 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 1kgp h THR 37 CO 0.01 0.34 -0.20 1.23 -0.25 0.00 0.00 175.52 176.65 1kgp h GLY 38 N 0.94 0.00 -3.05 5.82 0.00 -1.22 -2.51 103.07 103.05 1kgp h GLY 38 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 1kgp h GLY 38 CO 0.03 0.00 0.05 0.70 0.00 0.00 0.00 176.54 177.32 1kgp n ASN 39 N -3.69 4.60 -4.74 0.19 3.02 -0.75 -4.98 115.26 108.91 1kgp n ASN 39 Ca -0.01 -2.78 -0.42 0.00 -0.03 0.00 0.00 54.58 51.34 1kgp n ASN 39 Cb 0.32 -0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 38.83 1kgp n ASN 39 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1kgp n PHE 40 N 0.37 2.68 -3.56 3.10 7.35 -0.95 -4.99 117.46 121.45 1kgp n PHE 40 Ca 0.24 0.47 -0.11 0.00 -0.76 0.00 0.00 57.45 57.29 1kgp n PHE 40 Cb 1.03 -2.49 -0.04 0.00 0.35 0.00 0.00 39.48 38.33 1kgp n PHE 40 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1kgp s TRP 41 N -0.95 -0.31 0.01 -5.13 1.48 -1.26 -5.13 118.94 107.64 1kgp s TRP 41 Ca 0.56 0.03 0.04 0.00 -1.06 0.00 0.00 56.10 55.67 1kgp s TRP 41 Cb -0.52 0.36 -0.01 0.00 -1.16 0.00 0.00 33.47 32.13 1kgp s TRP 41 CO 0.61 -0.75 -0.12 -0.51 -4.06 0.00 0.00 176.95 172.12 1kgp s LEU 42 N -2.78 2.07 0.54 -4.66 1.43 -1.26 -5.04 118.68 108.99 1kgp s LEU 42 Ca 0.02 -0.29 0.28 0.00 -1.03 0.00 0.00 54.13 53.10 1kgp s LEU 42 Cb 0.01 -0.58 1.44 0.00 0.03 0.00 0.00 46.19 47.08 1kgp s LEU 42 CO -0.12 0.10 1.96 1.55 0.23 0.00 0.00 176.35 180.06 1kgp h PRO 43 N 5.53 0.00 0.00 1.29 0.13 -1.96 -0.74 132.00 136.26 1kgp h PRO 43 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1kgp h PRO 43 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1kgp h PRO 43 CO 0.47 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.63 1kgp n GLU 44 N -4.28 0.10 0.18 0.86 4.71 -1.26 -1.56 120.64 119.38 1kgp n GLU 44 Ca 0.12 0.59 0.03 0.00 -0.01 0.00 0.00 57.16 57.89 1kgp n GLU 44 Cb 0.71 -1.81 0.33 0.00 -1.01 0.00 0.00 31.44 29.66 1kgp n GLU 44 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1kgp h LYS 45 N 0.00 0.00 -5.27 3.49 3.64 -1.56 -3.43 116.57 113.43 1kgp h LYS 45 Ca 0.00 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.77 1kgp h LYS 45 Cb 0.01 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 31.70 1kgp h LYS 45 CO 0.00 0.42 -0.52 0.42 -2.27 0.00 0.00 179.45 177.51 1kgp s ILE 46 N -3.84 5.19 -1.14 2.00 1.09 -0.60 -5.04 121.20 118.86 1kgp s ILE 46 Ca -0.01 0.11 -0.21 0.00 -1.10 0.00 0.00 60.65 59.44 1kgp s ILE 46 Cb 0.13 -3.36 0.06 0.00 -1.06 0.00 0.00 42.46 38.22 1kgp s ILE 46 CO 0.71 0.45 1.58 -2.16 -0.10 0.00 0.00 174.94 175.42 1kgp s PRO 47 N 0.38 3.76 0.41 2.79 0.04 -1.26 -4.82 135.00 136.29 1kgp s PRO 47 Ca 0.06 -1.51 0.17 0.00 0.04 0.00 0.00 61.00 59.77 1kgp s PRO 47 Cb -0.12 -5.44 0.87 0.00 0.04 0.00 0.00 34.50 29.86 1kgp s PRO 47 CO -0.01 -2.24 1.86 0.28 0.04 0.00 0.00 177.00 176.92 1kgp h VAL 48 N 6.25 1.01 -0.33 -0.36 2.07 -1.92 -3.08 116.25 119.90 1kgp h VAL 48 Ca 0.31 -1.18 0.10 0.00 0.82 0.00 0.00 66.70 66.75 1kgp h VAL 48 Cb 0.95 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1kgp h VAL 48 CO 1.44 0.31 0.38 0.77 0.02 0.00 0.00 177.57 180.50 1kgp h SER 49 N 0.00 0.00 0.50 0.57 4.64 -1.93 0.33 113.55 117.66 1kgp h SER 49 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kgp h SER 49 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1kgp h SER 49 CO 0.04 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.59 1kgp n ASN 50 N -3.66 0.00 -0.18 4.97 3.02 -1.16 -2.44 115.26 115.81 1kgp n ASN 50 Ca 0.05 0.33 0.13 0.00 -0.03 0.00 0.00 54.58 55.06 1kgp n ASN 50 Cb 0.54 -0.42 0.36 0.00 -0.61 0.00 0.00 39.78 39.64 1kgp n ASN 50 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1kgp n ASP 51 N -1.42 0.88 -0.31 6.41 8.00 0.12 -4.25 116.55 125.97 1kgp n ASP 51 Ca 0.06 -0.72 0.04 0.00 0.71 0.00 0.00 54.79 54.87 1kgp n ASP 51 Cb 0.18 0.15 0.19 0.00 -0.02 0.00 0.00 41.12 41.62 1kgp n ASP 51 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1kgp h ILE 52 N 0.90 0.91 -0.11 0.53 2.04 -1.62 -0.53 117.51 119.62 1kgp h ILE 52 Ca 0.00 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1kgp h ILE 52 Cb 0.50 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1kgp h ILE 52 CO 0.00 0.16 -0.05 1.56 0.00 0.00 0.00 178.15 179.82 1kgp h GLN 53 N 0.85 -0.03 -0.04 2.37 1.08 -1.83 -1.98 115.11 115.53 1kgp h GLN 53 Ca 0.43 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.47 1kgp h GLN 53 Cb 0.40 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1kgp h GLN 53 CO -0.26 -0.02 -0.69 0.66 -0.95 0.00 0.00 178.83 177.57 1kgp h SER 54 N -0.04 0.23 -0.71 1.46 4.64 -1.71 -3.11 113.55 114.30 1kgp h SER 54 Ca 0.06 -0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1kgp h SER 54 Cb 0.13 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.11 1kgp h SER 54 CO -0.14 0.84 0.46 -0.25 -0.87 0.00 0.00 176.83 176.88 1kgp h TRP 55 N 0.13 0.87 0.00 4.77 2.91 -0.89 -0.43 115.95 123.31 1kgp h TRP 55 Ca -0.02 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.03 1kgp h TRP 55 Cb 1.23 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 29.59 1kgp h TRP 55 CO 0.02 0.52 0.00 0.09 -1.03 0.00 0.00 178.44 178.04 1kgp n ASN 56 N -4.62 0.01 -1.15 2.65 3.02 -0.76 -1.41 115.26 112.99 1kgp n ASN 56 Ca 0.07 0.50 0.11 0.00 -0.03 0.00 0.00 54.58 55.23 1kgp n ASN 56 Cb 0.05 -0.50 0.25 0.00 -0.61 0.00 0.00 39.78 38.96 1kgp n ASN 56 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1kgp n LYS 57 N -1.51 2.56 -3.77 3.52 5.02 -0.18 -4.95 118.16 118.85 1kgp n LYS 57 Ca 0.02 -2.38 -0.34 0.00 -2.02 0.00 0.00 58.31 53.60 1kgp n LYS 57 Cb 0.12 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 1kgp n LYS 57 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1kgp s MET 58 N -1.21 3.56 0.82 1.97 -1.94 -0.50 -5.09 119.30 116.92 1kgp s MET 58 Ca 0.40 -0.12 -0.11 0.00 -1.71 0.00 0.00 55.69 54.15 1kgp s MET 58 Cb 0.22 -3.05 0.09 0.00 2.01 0.00 0.00 34.83 34.10 1kgp s MET 58 CO 0.30 0.63 1.09 0.95 -0.01 0.00 0.00 175.02 177.98 1kgp s THR 59 N -1.36 3.03 0.38 2.05 -4.23 -1.26 -4.79 115.64 109.46 1kgp s THR 59 Ca 0.30 0.33 0.05 0.00 -1.18 0.00 0.00 61.69 61.19 1kgp s THR 59 Cb -0.13 -2.78 0.27 0.00 1.34 0.00 0.00 72.50 71.20 1kgp s THR 59 CO 0.18 -0.44 2.02 -0.65 -0.54 0.00 0.00 174.62 175.20 1kgp h PRO 60 N -1.32 0.68 -0.44 3.99 0.11 -1.98 -0.86 132.00 132.18 1kgp h PRO 60 Ca -0.46 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 1kgp h PRO 60 Cb 1.25 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1kgp h PRO 60 CO 0.52 0.45 -0.12 1.96 -0.21 0.00 0.00 178.00 180.59 1kgp h GLN 61 N 0.70 0.80 -0.27 1.05 7.50 -1.98 -0.94 115.11 121.96 1kgp h GLN 61 Ca 0.21 -0.27 -0.12 0.00 0.50 0.00 0.00 58.65 58.97 1kgp h GLN 61 Cb -0.01 -0.06 -0.00 0.00 0.05 0.00 0.00 27.48 27.46 1kgp h GLN 61 CO -0.05 0.88 -0.29 0.93 -1.50 0.00 0.00 178.83 178.80 1kgp h GLU 62 N 0.72 0.68 -0.73 1.46 5.08 -1.69 -0.95 114.58 119.15 1kgp h GLU 62 Ca 0.12 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 1kgp h GLU 62 Cb 0.62 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1kgp h GLU 62 CO 0.04 0.98 0.21 1.96 -1.00 0.00 0.00 179.01 181.20 1kgp h GLN 63 N 0.41 1.14 -0.17 2.33 4.20 -1.07 -0.17 115.11 121.78 1kgp h GLN 63 Ca 0.04 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 1kgp h GLN 63 Cb 0.86 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1kgp h GLN 63 CO 0.07 0.98 0.02 1.25 -0.67 0.00 0.00 178.83 180.48 1kgp h LEU 64 N 1.09 0.27 -1.17 1.46 5.85 -1.11 -1.33 115.31 120.38 1kgp h LEU 64 Ca 0.23 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1kgp h LEU 64 Cb 0.32 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1kgp h LEU 64 CO -0.01 0.48 0.57 0.00 -0.34 0.00 0.00 178.44 179.14 1kgp h ALA 65 N 0.81 1.43 -0.28 1.25 0.00 -0.93 -1.07 119.26 120.47 1kgp h ALA 65 Ca 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1kgp h ALA 65 Cb 0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1kgp h ALA 65 CO 0.00 0.50 0.10 1.15 0.00 0.00 0.00 179.25 181.00 1kgp h THR 66 N 1.11 1.19 -0.43 0.00 2.02 -0.71 -1.37 112.91 114.71 1kgp h THR 66 Ca 0.33 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 1kgp h THR 66 Cb -0.04 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1kgp h THR 66 CO -0.09 0.20 0.26 0.24 0.37 0.00 0.00 175.52 176.50 1kgp h MET 67 N 0.29 0.59 -0.23 6.66 2.07 -0.69 -1.71 114.93 121.91 1kgp h MET 67 Ca 0.09 -0.05 -0.04 0.00 -2.07 0.00 0.00 59.70 57.63 1kgp h MET 67 Cb 0.21 -0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 29.81 1kgp h MET 67 CO -0.01 0.43 -0.02 0.00 1.07 0.00 0.00 176.91 178.39 1kgp h ARG 68 N 0.58 0.42 -0.30 1.72 3.08 -1.12 -1.57 114.38 117.18 1kgp h ARG 68 Ca 0.16 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1kgp h ARG 68 Cb -0.01 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1kgp h ARG 68 CO -0.03 0.62 0.19 0.28 -1.07 0.00 0.00 179.97 179.95 1kgp h VAL 69 N 0.17 1.06 -0.37 2.04 2.07 -1.17 -0.25 116.25 119.81 1kgp h VAL 69 Ca 0.06 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 1kgp h VAL 69 Cb 0.44 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1kgp h VAL 69 CO 0.02 0.07 -0.10 -0.26 0.02 0.00 0.00 177.57 177.31 1kgp h PHE 70 N 0.38 0.68 -0.23 1.57 0.04 -1.30 -0.87 116.94 117.22 1kgp h PHE 70 Ca 0.11 -0.11 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 1kgp h PHE 70 Cb -0.03 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 37.93 1kgp h PHE 70 CO -0.06 0.71 -0.40 1.15 -0.60 0.00 0.00 178.31 179.11 1kgp h THR 71 N 0.58 1.30 -0.37 -1.55 2.02 -0.94 0.88 112.91 114.83 1kgp h THR 71 Ca 0.11 -1.55 -0.10 0.00 0.77 0.00 0.00 66.41 65.64 1kgp h THR 71 Cb 0.52 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1kgp h THR 71 CO 0.03 0.49 -0.17 1.23 0.37 0.00 0.00 175.52 177.46 1kgp h GLY 72 N 1.07 0.75 0.99 2.16 0.00 -0.48 -1.05 103.07 106.51 1kgp h GLY 72 Ca 0.04 -0.59 -0.13 0.00 0.00 0.00 0.00 47.33 46.65 1kgp h GLY 72 CO 0.08 0.54 -0.31 1.41 0.00 0.00 0.00 176.54 178.25 1kgp h LEU 73 N 0.62 0.78 -1.15 3.11 3.38 -0.85 -2.34 115.31 118.86 1kgp h LEU 73 Ca 0.10 -0.48 0.06 0.00 0.09 0.00 0.00 57.88 57.64 1kgp h LEU 73 Cb 0.64 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1kgp h LEU 73 CO 0.05 1.10 0.59 0.74 0.09 0.00 0.00 178.44 181.01 1kgp h THR 74 N 0.48 1.09 -0.33 0.22 2.02 -0.56 -0.05 112.91 115.78 1kgp h THR 74 Ca 0.04 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 1kgp h THR 74 Cb 0.89 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1kgp h THR 74 CO 0.08 0.19 0.12 0.25 0.37 0.00 0.00 175.52 176.53 1kgp h LEU 75 N 1.05 0.47 -0.56 2.58 5.85 -1.00 -0.56 115.31 123.14 1kgp h LEU 75 Ca 0.38 -0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.80 1kgp h LEU 75 Cb 0.15 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1kgp h LEU 75 CO -0.13 0.52 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.27 1kgp h LEU 76 N 0.38 1.01 -1.32 2.25 3.38 -0.87 -2.17 115.31 117.97 1kgp h LEU 76 Ca 0.11 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1kgp h LEU 76 Cb 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1kgp h LEU 76 CO -0.01 1.14 -0.06 0.44 0.09 0.00 0.00 178.44 180.04 1kgp h ASP 77 N 0.88 0.36 -0.31 -0.43 3.32 -0.89 0.39 116.42 119.73 1kgp h ASP 77 Ca 0.13 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 1kgp h ASP 77 Cb 0.71 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1kgp h ASP 77 CO 0.05 0.47 -0.09 0.74 -1.72 0.00 0.00 179.24 178.69 1kgp h THR 78 N 0.37 1.28 -0.13 0.35 2.02 -0.82 -2.14 112.91 113.84 1kgp h THR 78 Ca 0.08 -1.14 -0.03 0.00 0.77 0.00 0.00 66.41 66.09 1kgp h THR 78 Cb 0.34 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1kgp h THR 78 CO 0.02 0.37 -0.02 0.40 0.37 0.00 0.00 175.52 176.65 1kgp h ILE 79 N 0.37 1.28 -0.99 3.11 2.04 -0.96 -1.84 117.51 120.53 1kgp h ILE 79 Ca 0.08 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.00 1kgp h ILE 79 Cb 0.58 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 38.26 1kgp h ILE 79 CO 0.03 0.27 0.64 -0.61 0.00 0.00 0.00 178.15 178.48 1kgp h GLN 80 N -0.05 1.31 -0.03 2.37 5.75 -0.97 0.26 115.11 123.75 1kgp h GLN 80 Ca 0.03 -0.09 -0.19 0.00 -0.15 0.00 0.00 58.65 58.25 1kgp h GLN 80 Cb 0.44 -0.29 0.01 0.00 1.07 0.00 0.00 27.48 28.71 1kgp h GLN 80 CO 0.01 0.88 -0.72 0.78 -2.65 0.00 0.00 178.83 177.13 1kgp h GLY 81 N 1.34 0.60 0.39 2.39 0.00 -1.36 0.73 103.07 107.17 1kgp h GLY 81 Ca 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1kgp h GLY 81 CO -0.07 0.88 -1.04 -1.30 0.00 0.00 0.00 176.54 175.01 1kgp n THR 82 N -4.10 0.07 0.00 4.70 -2.24 -0.70 -4.44 114.28 107.58 1kgp n THR 82 Ca -0.10 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1kgp n THR 82 Cb 0.73 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 1kgp n THR 82 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1kgp n VAL 83 N -1.77 0.04 0.17 2.28 0.31 0.59 -4.81 118.33 115.14 1kgp n VAL 83 Ca 0.03 0.01 -0.07 0.00 -0.01 0.00 0.00 64.34 64.30 1kgp n VAL 83 Cb 0.40 -1.16 -0.03 0.00 -0.91 0.00 0.00 33.84 32.14 1kgp n VAL 83 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1kgp h GLY 84 N 0.00 -0.45 0.55 2.92 0.00 -0.51 -2.09 103.07 103.49 1kgp h GLY 84 Ca 0.00 0.17 0.10 0.00 0.00 0.00 0.00 47.33 47.59 1kgp h GLY 84 CO 0.00 -0.16 0.54 0.00 0.00 0.00 0.00 176.54 176.92 1kgp h ALA 85 N -1.76 1.30 -0.81 3.60 0.00 0.24 -1.42 119.26 120.41 1kgp h ALA 85 Ca -0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1kgp h ALA 85 Cb 0.33 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1kgp h ALA 85 CO 0.07 0.19 0.42 0.82 0.00 0.00 0.00 179.25 180.75 1kgp h ILE 86 N 0.91 1.24 0.00 0.00 5.03 -1.77 -2.53 117.51 120.38 1kgp h ILE 86 Ca 0.43 -0.63 0.00 0.00 -0.12 0.00 0.00 64.86 64.54 1kgp h ILE 86 Cb 0.36 0.17 0.00 0.00 -3.03 0.00 0.00 36.82 34.32 1kgp h ILE 86 CO -0.24 0.28 0.00 0.77 -0.68 0.00 0.00 178.15 178.28 1kgp h SER 87 N 1.13 0.00 1.83 1.72 4.64 -0.52 -2.68 113.55 119.68 1kgp h SER 87 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1kgp h SER 87 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1kgp h SER 87 CO -0.04 0.00 -0.01 -0.07 -0.87 0.00 0.00 176.83 175.84 1kgp h LEU 88 N 0.00 0.00 0.02 5.97 3.38 -1.32 -3.38 115.31 119.98 1kgp h LEU 88 Ca 0.00 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1kgp h LEU 88 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1kgp h LEU 88 CO 0.00 0.00 -0.16 -0.07 0.09 0.00 0.00 178.44 178.30 1kgp h LEU 89 N 0.00 -0.45 -2.61 1.67 -0.00 -1.56 -3.04 115.31 109.31 1kgp h LEU 89 Ca 0.00 0.06 0.01 0.00 -0.00 0.00 0.00 57.88 57.95 1kgp h LEU 89 Cb 0.92 0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 41.77 1kgp h LEU 89 CO 0.00 -0.22 0.11 -0.65 -0.00 0.00 0.00 178.44 177.68 1kgp h PRO 90 N -0.27 0.00 -0.03 1.13 0.11 -1.80 -2.34 132.00 128.81 1kgp h PRO 90 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1kgp h PRO 90 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1kgp h PRO 90 CO -0.14 0.00 -0.09 -0.25 -0.21 0.00 0.00 178.00 177.31 1kgp n ASP 91 N -3.14 2.81 -4.62 -2.05 8.00 -1.15 -5.01 116.55 111.38 1kgp n ASP 91 Ca -0.02 -1.90 -0.46 0.00 0.71 0.00 0.00 54.79 53.11 1kgp n ASP 91 Cb 0.18 0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 1kgp n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kgp n ALA 92 N 1.09 0.16 0.03 2.24 0.00 -0.88 -4.91 120.51 118.23 1kgp n ALA 92 Ca 0.13 0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.91 1kgp n ALA 92 Cb 0.57 -2.13 0.09 0.00 0.00 0.00 0.00 19.45 17.98 1kgp n ALA 92 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1kgp h GLU 93 N 3.26 0.47 -4.67 0.00 4.39 -1.94 -3.46 114.58 112.63 1kgp h GLU 93 Ca -0.43 -0.29 -0.24 0.00 0.34 0.00 0.00 59.36 58.75 1kgp h GLU 93 Cb 1.31 0.03 -0.16 0.00 -0.10 0.00 0.00 28.75 29.84 1kgp h GLU 93 CO 0.69 0.88 -0.70 0.95 -1.16 0.00 0.00 179.01 179.67 1kgp s THR 94 N -3.99 0.70 0.26 1.13 -4.23 -1.26 -5.04 115.64 103.21 1kgp s THR 94 Ca -0.06 -1.82 0.21 0.00 -1.18 0.00 0.00 61.69 58.83 1kgp s THR 94 Cb 0.12 -1.54 0.18 0.00 1.34 0.00 0.00 72.50 72.60 1kgp s THR 94 CO 0.82 -0.80 1.85 0.24 -0.54 0.00 0.00 174.62 176.19 1kgp h MET 95 N 3.17 0.00 -0.31 3.99 2.86 -1.99 -2.53 114.93 120.12 1kgp h MET 95 Ca -0.35 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.19 1kgp h MET 95 Cb 1.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 1kgp h MET 95 CO 0.61 0.29 -0.22 0.45 1.06 0.00 0.00 176.91 179.10 1kgp h HIS 96 N 0.00 0.65 -0.50 -0.22 3.86 -1.96 -2.23 115.15 114.77 1kgp h HIS 96 Ca -0.00 -0.14 -0.06 0.00 -1.16 0.00 0.00 60.37 59.01 1kgp h HIS 96 Cb 0.70 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 1kgp h HIS 96 CO 0.00 0.76 0.04 1.49 0.86 0.00 0.00 177.93 181.08 1kgp h GLU 97 N 0.52 0.80 -0.46 2.45 4.81 -1.82 -2.19 114.58 118.69 1kgp h GLU 97 Ca 0.08 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1kgp h GLU 97 Cb 0.66 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1kgp h GLU 97 CO 0.05 0.78 0.22 0.93 -0.73 0.00 0.00 179.01 180.26 1kgp h GLU 98 N 0.75 0.66 -0.85 1.92 5.08 -1.19 -1.89 114.58 119.06 1kgp h GLU 98 Ca 0.15 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1kgp h GLU 98 Cb 0.40 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 1kgp h GLU 98 CO 0.01 0.56 0.54 0.00 -1.00 0.00 0.00 179.01 179.12 1kgp h ALA 99 N 1.07 1.15 -0.50 3.43 0.00 -0.99 -2.09 119.26 121.33 1kgp h ALA 99 Ca 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1kgp h ALA 99 Cb 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1kgp h ALA 99 CO -0.02 0.33 0.31 0.28 0.00 0.00 0.00 179.25 180.15 1kgp h VAL 100 N 1.01 1.15 -0.30 0.00 2.07 -0.98 -2.13 116.25 117.07 1kgp h VAL 100 Ca 0.36 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1kgp h VAL 100 Cb 0.09 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1kgp h VAL 100 CO -0.15 0.15 0.11 1.88 0.02 0.00 0.00 177.57 179.58 1kgp h TYR 101 N 0.67 0.41 -0.01 1.57 0.05 -0.73 -0.79 116.97 118.14 1kgp h TYR 101 Ca 0.18 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.86 1kgp h TYR 101 Cb -0.03 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 1kgp h TYR 101 CO -0.03 0.34 -0.41 1.79 -1.05 0.00 0.00 178.16 178.80 1kgp h THR 102 N 0.42 1.30 -0.24 -2.88 1.35 -0.76 -0.47 112.91 111.62 1kgp h THR 102 Ca 0.10 -1.41 -0.18 0.00 -0.55 0.00 0.00 66.41 64.38 1kgp h THR 102 Cb 0.11 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1kgp h THR 102 CO -0.01 0.40 -0.54 -1.13 -0.25 0.00 0.00 175.52 174.00 1kgp h ASN 103 N 0.02 0.90 -0.71 5.36 -0.73 -0.90 -2.68 115.58 116.84 1kgp h ASN 103 Ca -0.00 -0.55 -0.01 0.00 1.87 0.00 0.00 56.30 57.60 1kgp h ASN 103 Cb 0.73 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 39.03 1kgp h ASN 103 CO 0.05 1.29 0.40 0.40 -0.37 0.00 0.00 177.43 179.20 1kgp h ILE 104 N 0.55 1.21 -0.04 2.57 2.04 -0.77 -0.88 117.51 122.18 1kgp h ILE 104 Ca 0.00 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1kgp h ILE 104 Cb 1.15 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1kgp h ILE 104 CO 0.12 0.23 -0.05 0.00 0.00 0.00 0.00 178.15 178.44 1kgp h ALA 105 N 1.21 -0.02 0.08 1.87 0.00 -1.06 -1.53 119.26 119.81 1kgp h ALA 105 Ca 0.25 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1kgp h ALA 105 Cb 0.01 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1kgp h ALA 105 CO -0.04 -0.53 -0.06 0.35 0.00 0.00 0.00 179.25 178.97 1kgp h PHE 106 N -0.08 -0.14 0.00 0.00 3.57 -1.27 -2.78 116.94 116.24 1kgp h PHE 106 Ca 0.04 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1kgp h PHE 106 Cb 0.13 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 1kgp h PHE 106 CO -0.15 -0.09 -0.09 0.52 -2.23 0.00 0.00 178.31 176.27 1kgp h MET 107 N -0.14 0.00 -0.44 1.11 2.86 -1.02 0.21 114.93 117.51 1kgp h MET 107 Ca -0.01 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1kgp h MET 107 Cb 0.12 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1kgp h MET 107 CO 0.00 0.09 0.02 0.93 1.06 0.00 0.00 176.91 179.02 1kgp h GLU 108 N 0.00 0.70 -0.33 1.72 4.39 -1.02 0.17 114.58 120.20 1kgp h GLU 108 Ca -0.00 -0.17 -0.10 0.00 0.34 0.00 0.00 59.36 59.43 1kgp h GLU 108 Cb 0.18 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1kgp h GLU 108 CO 0.01 0.70 -0.23 0.77 -1.16 0.00 0.00 179.01 179.11 1kgp h SER 109 N 0.66 0.65 -0.52 1.42 0.02 -0.73 -0.86 113.55 114.19 1kgp h SER 109 Ca 0.14 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 1kgp h SER 109 Cb 0.38 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1kgp h SER 109 CO 0.01 0.87 0.13 0.58 -1.14 0.00 0.00 176.83 177.29 1kgp h VAL 110 N 0.57 1.24 -0.20 2.27 2.07 -0.35 -0.47 116.25 121.38 1kgp h VAL 110 Ca 0.08 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1kgp h VAL 110 Cb 0.69 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1kgp h VAL 110 CO 0.05 0.31 0.07 0.45 0.02 0.00 0.00 177.57 178.47 1kgp h HIS 111 N 0.73 0.13 -0.73 1.57 -0.00 -0.35 -0.37 115.15 116.14 1kgp h HIS 111 Ca 0.17 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.53 1kgp h HIS 111 Cb 0.32 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.67 1kgp h HIS 111 CO 0.02 0.07 0.39 0.00 -0.00 0.00 0.00 177.93 178.41 1kgp h ALA 112 N 1.12 0.93 -0.56 2.45 0.00 -0.99 -2.15 119.26 120.05 1kgp h ALA 112 Ca 0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1kgp h ALA 112 Cb 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1kgp h ALA 112 CO -0.08 0.45 0.14 -0.22 0.00 0.00 0.00 179.25 179.54 1kgp h LYS 113 N 1.00 0.86 -0.37 0.00 3.64 -0.72 -2.92 116.57 118.05 1kgp h LYS 113 Ca 0.26 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1kgp h LYS 113 Cb 0.04 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1kgp h LYS 113 CO -0.04 0.77 0.25 0.66 -2.27 0.00 0.00 179.45 178.82 1kgp h SER 114 N 0.83 0.36 -0.24 4.20 4.64 -0.39 -0.44 113.55 122.51 1kgp h SER 114 Ca 0.18 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.42 1kgp h SER 114 Cb 0.29 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1kgp h SER 114 CO -0.00 0.25 -0.10 1.88 -0.87 0.00 0.00 176.83 177.98 1kgp h TYR 115 N 0.42 0.69 -0.45 4.77 0.05 -1.42 -1.97 116.97 119.05 1kgp h TYR 115 Ca 0.15 -0.11 -0.10 0.00 0.05 0.00 0.00 58.73 58.72 1kgp h TYR 115 Cb 0.08 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 1kgp h TYR 115 CO -0.00 0.72 -0.12 0.77 -1.05 0.00 0.00 178.16 178.48 1kgp h SER 116 N 0.58 0.82 -0.78 3.88 0.02 -1.14 -0.58 113.55 116.34 1kgp h SER 116 Ca 0.11 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1kgp h SER 116 Cb 0.53 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1kgp h SER 116 CO 0.03 0.95 0.51 0.78 -1.14 0.00 0.00 176.83 177.97 1kgp h ASN 117 N 0.74 0.88 0.47 3.07 4.21 -0.93 0.89 115.58 124.91 1kgp h ASN 117 Ca 0.12 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.59 1kgp h ASN 117 Cb 0.62 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 1kgp h ASN 117 CO 0.04 0.63 -0.22 0.40 -1.29 0.00 0.00 177.43 176.99 1kgp h ILE 118 N 1.04 0.53 -0.50 2.81 2.04 -1.02 -2.77 117.51 119.64 1kgp h ILE 118 Ca 0.29 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 66.07 1kgp h ILE 118 Cb -0.09 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 36.54 1kgp h ILE 118 CO -0.08 0.03 0.13 -0.26 0.00 0.00 0.00 178.15 177.97 1kgp h PHE 119 N -0.73 0.22 0.00 1.37 0.04 -0.78 -1.68 116.94 115.38 1kgp h PHE 119 Ca -0.06 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 1kgp h PHE 119 Cb 0.53 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.66 1kgp h PHE 119 CO -0.02 0.03 -0.02 0.52 -0.60 0.00 0.00 178.31 178.22 1kgp h MET 120 N 0.28 0.00 0.17 1.51 2.86 -0.80 0.04 114.93 118.99 1kgp h MET 120 Ca 0.25 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.57 1kgp h MET 120 Cb 0.32 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.99 1kgp h MET 120 CO -0.30 0.02 -1.57 1.15 1.06 0.00 0.00 176.91 177.27 1kgp h THR 121 N 0.00 1.03 0.02 2.22 2.02 -1.04 -3.42 112.91 113.74 1kgp h THR 121 Ca -0.00 -2.49 -0.37 0.00 0.77 0.00 0.00 66.41 64.31 1kgp h THR 121 Cb 0.03 2.80 -0.06 0.00 -1.74 0.00 0.00 68.15 69.18 1kgp h THR 121 CO 0.00 0.80 -2.33 0.18 0.37 0.00 0.00 175.52 174.54 1kgp n LEU 122 N -3.74 2.06 -4.95 2.58 4.77 -0.73 -4.96 117.00 112.03 1kgp n LEU 122 Ca -0.23 -0.02 -0.24 0.00 -0.03 0.00 0.00 56.01 55.49 1kgp n LEU 122 Cb 1.01 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1kgp n LEU 122 CO 0.49 0.78 -0.01 0.00 -1.33 0.00 0.00 177.39 177.32 1kgp s ALA 123 N -2.52 3.89 0.49 -1.18 0.00 -0.01 -5.07 121.76 117.35 1kgp s ALA 123 Ca -0.25 -1.06 -0.15 0.00 0.00 0.00 0.00 51.96 50.50 1kgp s ALA 123 Cb 0.08 -1.85 -0.07 0.00 0.00 0.00 0.00 23.12 21.27 1kgp s ALA 123 CO 0.70 0.32 0.94 -1.54 0.00 0.00 0.00 175.76 176.17 1kgp s SER 124 N -3.64 6.59 0.42 0.00 1.04 -1.26 -4.73 113.70 112.12 1kgp s SER 124 Ca 0.36 1.47 0.11 0.00 0.48 0.00 0.00 55.95 58.36 1kgp s SER 124 Cb -0.10 -2.47 0.95 0.00 0.10 0.00 0.00 66.02 64.50 1kgp s SER 124 CO 0.30 -0.56 2.01 0.74 0.98 0.00 0.00 173.24 176.72 1kgp h THR 125 N 0.92 0.99 -0.64 2.02 2.02 -1.98 -1.25 112.91 114.98 1kgp h THR 125 Ca -0.47 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 1kgp h THR 125 Cb 1.19 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1kgp h THR 125 CO 0.62 0.09 0.18 -0.65 0.37 0.00 0.00 175.52 176.13 1kgp h PRO 126 N 0.48 1.02 -0.55 6.66 0.11 -1.99 -0.65 132.00 137.08 1kgp h PRO 126 Ca 0.23 -0.23 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 1kgp h PRO 126 Cb 0.27 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 1kgp h PRO 126 CO -0.06 0.91 0.23 1.96 -0.21 0.00 0.00 178.00 180.82 1kgp h GLN 127 N 0.94 0.82 0.17 1.05 4.20 -1.64 -1.21 115.11 119.45 1kgp h GLN 127 Ca 0.21 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1kgp h GLN 127 Cb 0.33 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1kgp h GLN 127 CO -0.00 0.71 -0.08 0.82 -0.67 0.00 0.00 178.83 179.60 1kgp h ILE 128 N 0.75 0.87 -0.66 2.54 2.04 -1.08 -0.54 117.51 121.44 1kgp h ILE 128 Ca 0.19 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1kgp h ILE 128 Cb 0.19 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1kgp h ILE 128 CO -0.02 0.04 0.34 0.78 0.00 0.00 0.00 178.15 179.29 1kgp h ASN 129 N -0.31 0.82 -0.61 1.72 2.35 -1.05 -1.20 115.58 117.29 1kgp h ASN 129 Ca -0.02 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 1kgp h ASN 129 Cb 0.24 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1kgp h ASN 129 CO 0.04 0.68 0.13 -0.33 -1.65 0.00 0.00 177.43 176.29 1kgp h GLU 130 N 0.92 1.02 -0.48 0.81 5.08 -0.95 -1.58 114.58 119.41 1kgp h GLU 130 Ca 0.23 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1kgp h GLU 130 Cb 0.05 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1kgp h GLU 130 CO -0.03 0.93 0.10 0.00 -1.00 0.00 0.00 179.01 179.00 1kgp h ALA 131 N 1.16 0.63 -0.22 3.43 0.00 -0.07 -0.10 119.26 124.09 1kgp h ALA 131 Ca 0.20 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1kgp h ALA 131 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1kgp h ALA 131 CO 0.01 0.34 -0.34 0.74 0.00 0.00 0.00 179.25 180.00 1kgp h PHE 132 N 0.66 0.55 -0.33 0.00 0.04 -1.09 -1.94 116.94 114.83 1kgp h PHE 132 Ca 0.15 -0.14 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 1kgp h PHE 132 Cb 0.36 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1kgp h PHE 132 CO 0.02 0.76 0.00 -0.09 -0.60 0.00 0.00 178.31 178.40 1kgp h ARG 133 N 0.40 0.57 -0.74 1.51 2.43 -1.06 -2.73 114.38 114.77 1kgp h ARG 133 Ca 0.05 -0.18 0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1kgp h ARG 133 Cb 0.79 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.23 1kgp h ARG 133 CO 0.06 0.70 0.43 2.35 -1.51 0.00 0.00 179.97 182.00 1kgp h TRP 134 N 0.38 0.79 -0.20 2.20 7.01 -0.80 -2.35 115.95 122.97 1kgp h TRP 134 Ca 0.09 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 1kgp h TRP 134 Cb 0.44 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.24 1kgp h TRP 134 CO 0.04 0.38 -0.01 0.66 -2.79 0.00 0.00 178.44 176.71 1kgp h SER 135 N 0.78 0.27 1.10 2.65 4.64 -1.12 -0.37 113.55 121.50 1kgp h SER 135 Ca 0.33 -0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 61.52 1kgp h SER 135 Cb 0.19 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1kgp h SER 135 CO -0.18 0.33 -0.45 -0.33 -0.87 0.00 0.00 176.83 175.33 1kgp h GLU 136 N 0.29 0.00 0.00 4.77 5.08 -1.13 -3.32 114.58 120.26 1kgp h GLU 136 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1kgp h GLU 136 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1kgp h GLU 136 CO 0.01 0.45 -1.15 0.39 -1.00 0.00 0.00 179.01 177.71 1kgp n GLU 137 N -3.40 0.76 -2.23 2.33 1.02 -0.90 -4.94 120.64 113.29 1kgp n GLU 137 Ca 0.01 -0.05 -0.43 0.00 -0.02 0.00 0.00 57.16 56.67 1kgp n GLU 137 Cb 0.62 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.61 1kgp n GLU 137 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1kgp s ASN 138 N -3.16 6.71 0.27 1.62 3.84 -0.20 -4.91 114.94 119.11 1kgp s ASN 138 Ca 0.03 1.79 -0.05 0.00 0.21 0.00 0.00 52.86 54.84 1kgp s ASN 138 Cb 0.14 -2.54 0.33 0.00 -0.55 0.00 0.00 41.25 38.63 1kgp s ASN 138 CO 0.78 -0.95 1.94 -0.33 -2.79 0.00 0.00 177.10 175.74 1kgp h GLU 139 N 9.26 1.25 -0.11 0.43 5.08 -1.92 -1.82 114.58 126.75 1kgp h GLU 139 Ca -0.32 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 57.79 1kgp h GLU 139 Cb 1.14 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1kgp h GLU 139 CO 0.98 0.82 -0.66 -0.91 -1.00 0.00 0.00 179.01 178.24 1kgp h ASN 140 N 1.28 0.50 -0.19 1.42 4.21 -1.92 -1.08 115.58 119.81 1kgp h ASN 140 Ca 0.36 -0.31 -0.12 0.00 1.21 0.00 0.00 56.30 57.44 1kgp h ASN 140 Cb -0.12 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 36.94 1kgp h ASN 140 CO -0.09 1.03 -0.35 0.25 -1.29 0.00 0.00 177.43 176.98 1kgp h LEU 141 N 0.31 0.63 -1.10 1.61 5.85 -1.87 -2.05 115.31 118.70 1kgp h LEU 141 Ca -0.02 -0.54 -0.05 0.00 0.84 0.00 0.00 57.88 58.11 1kgp h LEU 141 Cb 1.22 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1kgp h LEU 141 CO 0.12 1.06 0.13 1.56 -0.34 0.00 0.00 178.44 180.96 1kgp h GLN 142 N 0.23 0.77 -0.15 1.25 1.08 -1.34 -1.78 115.11 115.18 1kgp h GLN 142 Ca 0.01 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.02 1kgp h GLN 142 Cb 0.94 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.25 1kgp h GLN 142 CO 0.08 0.69 -0.08 -0.09 -0.95 0.00 0.00 178.83 178.48 1kgp h ARG 143 N 0.75 0.31 -0.70 1.46 2.43 -1.11 -0.34 114.38 117.18 1kgp h ARG 143 Ca 0.17 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1kgp h ARG 143 Cb 0.27 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1kgp h ARG 143 CO -0.00 0.64 0.40 1.57 -1.51 0.00 0.00 179.97 181.07 1kgp h LYS 144 N -0.03 0.97 -0.38 0.20 2.10 -1.27 0.30 116.57 118.47 1kgp h LYS 144 Ca 0.03 -0.11 -0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1kgp h LYS 144 Cb 0.55 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 31.67 1kgp h LYS 144 CO 0.02 0.71 0.22 0.00 -2.00 0.00 0.00 179.45 178.41 1kgp h ALA 145 N 1.20 0.48 0.00 0.07 0.00 -1.25 -2.54 119.26 117.22 1kgp h ALA 145 Ca 0.25 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1kgp h ALA 145 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1kgp h ALA 145 CO -0.04 -0.02 -0.50 0.87 0.00 0.00 0.00 179.25 179.56 1kgp h LYS 146 N 0.49 0.00 -0.30 0.00 1.57 -0.64 -1.65 116.57 116.04 1kgp h LYS 146 Ca 0.13 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1kgp h LYS 146 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1kgp h LYS 146 CO -0.02 0.50 0.02 0.82 -0.57 0.00 0.00 179.45 180.20 1kgp h ILE 147 N 0.00 1.25 -0.30 1.86 2.04 -0.77 -1.02 117.51 120.57 1kgp h ILE 147 Ca -0.00 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 64.92 1kgp h ILE 147 Cb 0.92 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1kgp h ILE 147 CO 0.06 0.28 -0.04 0.40 0.00 0.00 0.00 178.15 178.86 1kgp h ILE 148 N 0.32 1.27 0.00 -0.67 1.08 -1.35 -2.67 117.51 115.48 1kgp h ILE 148 Ca 0.09 -1.04 -0.01 0.00 -0.39 0.00 0.00 64.86 63.50 1kgp h ILE 148 Cb 0.39 1.35 -0.00 0.00 -3.07 0.00 0.00 36.82 35.48 1kgp h ILE 148 CO 0.01 0.33 -0.06 0.24 -0.69 0.00 0.00 178.15 177.98 1kgp h MET 149 N 0.34 0.00 -0.31 2.37 2.86 -1.27 -1.63 114.93 117.29 1kgp h MET 149 Ca 0.08 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 1kgp h MET 149 Cb 0.51 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1kgp h MET 149 CO 0.02 0.06 -0.06 0.66 1.06 0.00 0.00 176.91 178.66 1kgp h SER 150 N 0.00 0.47 0.48 1.22 4.64 -0.82 -1.26 113.55 118.29 1kgp h SER 150 Ca -0.00 -0.10 -0.29 0.00 -0.47 0.00 0.00 61.79 60.92 1kgp h SER 150 Cb 0.12 -0.13 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1kgp h SER 150 CO 0.01 0.59 -1.31 1.88 -0.87 0.00 0.00 176.83 177.12 1kgp h TYR 151 N 0.47 0.68 -0.09 4.77 0.05 -1.30 -2.91 116.97 118.64 1kgp h TYR 151 Ca 0.10 -0.49 -0.03 0.00 0.05 0.00 0.00 58.73 58.36 1kgp h TYR 151 Cb 0.40 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 1kgp h TYR 151 CO 0.01 1.38 -0.08 1.88 -1.05 0.00 0.00 178.16 180.30 1kgp h TYR 152 N 0.11 0.14 -0.05 4.88 0.05 -1.15 -1.05 116.97 119.90 1kgp h TYR 152 Ca -0.17 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.60 1kgp h TYR 152 Cb 2.02 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 39.72 1kgp h TYR 152 CO 0.09 0.22 0.00 0.09 -1.05 0.00 0.00 178.16 177.50 1kgp n ASN 153 N -4.37 1.38 -2.50 3.88 3.02 -0.50 -4.90 115.26 111.27 1kgp n ASN 153 Ca -0.01 -1.50 -0.05 0.00 -0.03 0.00 0.00 54.58 52.98 1kgp n ASN 153 Cb 0.20 -0.02 0.03 0.00 -0.61 0.00 0.00 39.78 39.38 1kgp n ASN 153 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kgp n GLY 154 N 1.14 0.02 0.20 7.41 0.00 -0.40 -5.05 105.19 108.52 1kgp n GLY 154 Ca 0.19 -1.86 0.07 0.00 0.00 0.00 0.00 46.02 44.41 1kgp n GLY 154 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kgp n ASP 155 N -3.06 2.52 -4.38 1.61 3.85 -1.26 -4.94 116.55 110.89 1kgp n ASP 155 Ca 0.04 -2.76 -0.41 0.00 -0.71 0.00 0.00 54.79 50.95 1kgp n ASP 155 Cb 0.13 -0.33 -0.11 0.00 -1.35 0.00 0.00 41.12 39.45 1kgp n ASP 155 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1kgp s ASP 156 N -2.19 5.76 0.18 -1.12 -1.08 -1.26 -4.99 116.67 111.97 1kgp s ASP 156 Ca 0.25 -1.00 -0.13 0.00 -0.52 0.00 0.00 52.55 51.15 1kgp s ASP 156 Cb 0.21 -2.03 0.16 0.00 -1.46 0.00 0.00 42.92 39.80 1kgp s ASP 156 CO 0.04 -0.39 1.76 -0.65 0.52 0.00 0.00 175.17 176.45 1kgp h PRO 157 N 8.45 0.40 -0.55 4.34 0.11 -1.96 -2.99 132.00 139.81 1kgp h PRO 157 Ca -0.25 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 1kgp h PRO 157 Cb 1.10 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1kgp h PRO 157 CO 0.67 0.27 0.04 -0.07 -0.21 0.00 0.00 178.00 178.70 1kgp h LEU 158 N 0.41 0.86 -1.50 2.35 3.38 -1.99 -2.60 115.31 116.23 1kgp h LEU 158 Ca 0.23 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1kgp h LEU 158 Cb 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1kgp h LEU 158 CO -0.21 0.90 -0.17 0.11 0.09 0.00 0.00 178.44 179.16 1kgp h LYS 159 N 0.84 0.11 -0.46 1.13 1.57 -1.93 -1.78 116.57 116.05 1kgp h LYS 159 Ca 0.17 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1kgp h LYS 159 Cb 0.44 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1kgp h LYS 159 CO 0.02 0.28 -0.05 0.87 -0.57 0.00 0.00 179.45 180.00 1kgp h LYS 160 N 0.10 0.78 -0.40 3.15 1.57 -1.36 -1.06 116.57 119.35 1kgp h LYS 160 Ca 0.02 -0.23 -0.14 0.00 -1.87 0.00 0.00 60.65 58.43 1kgp h LYS 160 Cb 0.37 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1kgp h LYS 160 CO 0.02 0.82 -0.32 0.87 -0.57 0.00 0.00 179.45 180.27 1kgp h LYS 161 N 0.72 0.89 -0.02 3.15 1.57 -1.23 -0.97 116.57 120.67 1kgp h LYS 161 Ca 0.13 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1kgp h LYS 161 Cb 0.51 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1kgp h LYS 161 CO 0.03 1.07 0.01 0.28 -0.57 0.00 0.00 179.45 180.27 1kgp h VAL 162 N 0.74 1.15 -0.61 0.50 2.07 -1.10 -0.85 116.25 118.15 1kgp h VAL 162 Ca 0.08 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.19 1kgp h VAL 162 Cb 0.89 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 1kgp h VAL 162 CO 0.08 0.12 0.34 0.00 0.02 0.00 0.00 177.57 178.13 1kgp h ALA 163 N 0.82 0.80 -0.55 1.67 0.00 -1.12 -0.38 119.26 120.50 1kgp h ALA 163 Ca 0.01 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1kgp h ALA 163 Cb 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1kgp h ALA 163 CO -0.00 0.03 0.07 0.77 0.00 0.00 0.00 179.25 180.12 1kgp h SER 164 N 0.65 0.85 -0.15 0.00 0.02 -1.04 -1.17 113.55 112.71 1kgp h SER 164 Ca 0.26 -0.19 -0.17 0.00 -0.84 0.00 0.00 61.79 60.86 1kgp h SER 164 Cb 0.13 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 1kgp h SER 164 CO -0.15 0.87 -0.53 0.74 -1.14 0.00 0.00 176.83 176.62 1kgp h THR 165 N 0.84 1.29 -0.15 -2.27 2.02 -0.52 -1.13 112.91 113.00 1kgp h THR 165 Ca 0.17 -1.74 -0.13 0.00 0.77 0.00 0.00 66.41 65.49 1kgp h THR 165 Cb 0.40 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1kgp h THR 165 CO 0.01 0.56 -0.46 -0.07 0.37 0.00 0.00 175.52 175.92 1kgp h LEU 166 N 0.57 0.41 -0.03 2.58 3.38 -0.97 0.57 115.31 121.82 1kgp h LEU 166 Ca 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1kgp h LEU 166 Cb 1.10 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1kgp h LEU 166 CO 0.11 0.81 -0.00 0.25 0.09 0.00 0.00 178.44 179.70 1kgp h LEU 167 N 0.31 0.05 -0.23 1.67 5.85 -1.05 -0.04 115.31 121.87 1kgp h LEU 167 Ca 0.02 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 1kgp h LEU 167 Cb 0.94 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 1kgp h LEU 167 CO 0.08 0.39 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.09 1kgp h GLU 168 N -0.29 0.50 0.00 1.25 4.39 -1.13 0.24 114.58 119.54 1kgp h GLU 168 Ca 0.01 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1kgp h GLU 168 Cb 0.37 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1kgp h GLU 168 CO 0.00 0.80 -0.84 0.43 -1.16 0.00 0.00 179.01 178.23 1kgp n SER 169 N -4.47 0.74 0.01 1.42 7.64 0.18 -3.65 113.62 115.49 1kgp n SER 169 Ca -0.05 0.14 -0.02 0.00 1.01 0.00 0.00 58.87 59.95 1kgp n SER 169 Cb 0.37 0.39 -0.01 0.00 -1.01 0.00 0.00 64.21 63.95 1kgp n SER 169 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1kgp n PHE 170 N -2.29 0.00 0.06 1.43 7.35 -0.11 -4.46 117.46 119.43 1kgp n PHE 170 Ca 0.02 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.58 1kgp n PHE 170 Cb 0.48 -0.09 -0.09 0.00 0.35 0.00 0.00 39.48 40.14 1kgp n PHE 170 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1kgp h LEU 171 N -0.12 -0.13 0.48 -2.13 3.38 -1.13 -2.76 115.31 112.90 1kgp h LEU 171 Ca -0.04 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1kgp h LEU 171 Cb 0.53 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1kgp h LEU 171 CO -0.02 0.25 -0.23 -0.26 0.09 0.00 0.00 178.44 178.26 1kgp h PHE 172 N -0.52 -0.59 -1.00 1.13 0.04 -1.13 -3.20 116.94 111.67 1kgp h PHE 172 Ca -0.02 -0.01 0.34 0.00 2.80 0.00 0.00 57.97 61.08 1kgp h PHE 172 Cb 0.42 0.20 -0.15 0.00 2.20 0.00 0.00 35.95 38.61 1kgp h PHE 172 CO 0.04 -0.37 0.57 -0.92 -0.60 0.00 0.00 178.31 177.03 1kgp h TYR 173 N -0.75 0.92 -0.71 -0.55 3.20 -1.72 0.15 116.97 117.51 1kgp h TYR 173 Ca -0.07 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1kgp h TYR 173 Cb 0.49 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 1kgp h TYR 173 CO 0.08 -0.22 0.45 0.77 -1.64 0.00 0.00 178.16 177.60 1kgp h SER 174 N 0.28 0.83 0.21 -2.11 0.02 -1.48 -1.94 113.55 109.37 1kgp h SER 174 Ca 0.75 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.66 1kgp h SER 174 Cb 1.75 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.08 1kgp h SER 174 CO -0.63 0.63 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1kgp n GLY 175 N -1.23 -0.66 0.13 -3.77 0.00 0.04 -1.93 105.19 97.76 1kgp n GLY 175 Ca 0.06 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1kgp n GLY 175 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1kgp n PHE 176 N -1.36 0.02 -0.00 1.61 3.72 -0.73 -3.90 117.46 116.82 1kgp n PHE 176 Ca 0.03 -0.01 -0.11 0.00 -0.05 0.00 0.00 57.45 57.31 1kgp n PHE 176 Cb 0.08 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.56 1kgp n PHE 176 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1kgp h TYR 177 N 0.57 0.12 0.00 1.38 5.03 -1.56 -2.85 116.97 119.67 1kgp h TYR 177 Ca 0.00 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.33 1kgp h TYR 177 Cb 0.12 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.34 1kgp h TYR 177 CO 0.01 0.15 -0.12 1.25 -1.32 0.00 0.00 178.16 178.13 1kgp h LEU 178 N 0.06 -0.34 -1.21 2.82 6.46 -1.84 0.03 115.31 121.28 1kgp h LEU 178 Ca 0.03 0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 57.76 1kgp h LEU 178 Cb 0.07 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1kgp h LEU 178 CO -0.01 -0.17 -0.39 1.55 -0.62 0.00 0.00 178.44 178.81 1kgp h PRO 179 N -0.20 0.01 -0.18 5.25 0.13 -1.80 -0.42 132.00 134.79 1kgp h PRO 179 Ca 0.04 -0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.95 1kgp h PRO 179 Cb 0.25 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.39 1kgp h PRO 179 CO -0.12 0.40 -0.73 0.52 -0.23 0.00 0.00 178.00 177.84 1kgp h MET 180 N 0.01 0.81 -0.20 0.86 2.86 -1.28 -0.57 114.93 117.41 1kgp h MET 180 Ca -0.00 -0.63 -0.06 0.00 -2.06 0.00 0.00 59.70 56.95 1kgp h MET 180 Cb 0.69 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1kgp h MET 180 CO 0.05 1.24 -0.09 -0.92 1.06 0.00 0.00 176.91 178.25 1kgp h TYR 181 N 0.55 0.47 -0.51 -0.22 3.20 -0.81 -1.53 116.97 118.12 1kgp h TYR 181 Ca -0.04 -0.12 0.01 0.00 3.14 0.00 0.00 58.73 61.72 1kgp h TYR 181 Cb 1.36 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 1kgp h TYR 181 CO 0.09 0.70 0.33 -0.07 -1.64 0.00 0.00 178.16 177.57 1kgp h LEU 182 N 0.10 0.55 -0.85 2.82 3.38 -1.09 -2.15 115.31 118.08 1kgp h LEU 182 Ca 0.04 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1kgp h LEU 182 Cb 0.58 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 1kgp h LEU 182 CO 0.03 0.40 0.49 -1.28 0.09 0.00 0.00 178.44 178.17 1kgp h SER 183 N 0.66 0.71 0.50 -0.43 0.87 -0.86 0.28 113.55 115.29 1kgp h SER 183 Ca 0.20 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1kgp h SER 183 Cb -0.04 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1kgp h SER 183 CO -0.06 0.40 0.00 -1.54 -0.53 0.00 0.00 176.83 175.10 1kgp n SER 184 N -4.73 0.57 -1.22 6.23 3.41 -0.59 -1.14 113.62 116.16 1kgp n SER 184 Ca 0.14 0.67 0.08 0.00 -0.26 0.00 0.00 58.87 59.50 1kgp n SER 184 Cb 0.28 -0.78 0.29 0.00 -0.26 0.00 0.00 64.21 63.75 1kgp n SER 184 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1kgp n ARG 185 N -2.16 3.49 -1.76 4.33 5.12 0.84 -4.95 116.66 121.56 1kgp n ARG 185 Ca 0.01 -2.77 -0.14 0.00 -1.93 0.00 0.00 57.85 53.02 1kgp n ARG 185 Cb 0.17 -1.83 -0.04 0.00 -1.16 0.00 0.00 32.46 29.60 1kgp n ARG 185 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1kgp n ALA 186 N 0.34 -0.30 -2.52 7.54 0.00 -0.29 -5.01 120.51 120.27 1kgp n ALA 186 Ca 0.22 0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.52 1kgp n ALA 186 Cb 0.86 -1.61 -0.12 0.00 0.00 0.00 0.00 19.45 18.58 1kgp n ALA 186 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1kgp s LYS 187 N -3.82 2.45 -1.44 0.00 1.02 -0.24 -4.68 119.74 113.03 1kgp s LYS 187 Ca 0.00 -0.75 -0.05 0.00 0.02 0.00 0.00 55.97 55.19 1kgp s LYS 187 Cb 0.00 -2.40 0.04 0.00 -0.52 0.00 0.00 37.83 34.95 1kgp s LYS 187 CO 0.00 0.60 0.64 1.28 -0.92 0.00 0.00 175.35 176.96 1kgp n LEU 188 N 1.92 -2.45 0.07 3.17 4.77 -1.26 -2.64 117.00 120.57 1kgp n LEU 188 Ca -0.16 -0.92 -0.02 0.00 -0.03 0.00 0.00 56.01 54.88 1kgp n LEU 188 Cb 0.52 -2.38 0.25 0.00 -2.33 0.00 0.00 43.42 39.48 1kgp n LEU 188 CO 0.27 0.41 0.74 0.71 -1.33 0.00 0.00 177.39 178.20 1kgp h THR 189 N -1.85 1.26 -0.06 -5.08 1.35 -1.91 -1.82 112.91 104.81 1kgp h THR 189 Ca -0.61 -1.25 -0.18 0.00 -0.55 0.00 0.00 66.41 63.82 1kgp h THR 189 Cb 1.37 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 1kgp h THR 189 CO 0.64 0.38 -0.74 0.78 -0.25 0.00 0.00 175.52 176.33 1kgp h ASN 190 N 0.30 0.44 -0.73 5.36 4.21 -1.89 -2.84 115.58 120.42 1kgp h ASN 190 Ca 0.04 -0.29 -0.06 0.00 1.21 0.00 0.00 56.30 57.20 1kgp h ASN 190 Cb 0.65 -0.13 -0.03 0.00 -1.12 0.00 0.00 38.32 37.69 1kgp h ASN 190 CO 0.05 1.03 0.21 0.74 -1.29 0.00 0.00 177.43 178.17 1kgp h THR 191 N 0.24 1.26 0.00 2.81 2.02 -1.85 -1.87 112.91 115.52 1kgp h THR 191 Ca -0.03 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 1kgp h THR 191 Cb 1.32 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1kgp h THR 191 CO 0.12 0.36 -0.04 0.00 0.37 0.00 0.00 175.52 176.34 1kgp h ALA 192 N 1.11 1.54 -0.26 6.16 0.00 -1.11 -0.92 119.26 125.78 1kgp h ALA 192 Ca 0.23 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 1kgp h ALA 192 Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1kgp h ALA 192 CO -0.00 0.05 -0.44 -0.44 0.00 0.00 0.00 179.25 178.42 1kgp h ASP 193 N 0.00 0.69 -0.24 0.00 3.32 -1.11 -0.45 116.42 118.63 1kgp h ASP 193 Ca -0.00 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 1kgp h ASP 193 Cb 0.10 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1kgp h ASP 193 CO 0.01 1.03 0.00 0.40 -1.72 0.00 0.00 179.24 178.96 1kgp h ILE 194 N 0.52 1.25 -0.90 0.35 2.04 -1.10 -2.35 117.51 117.32 1kgp h ILE 194 Ca 0.04 -0.90 0.09 0.00 1.00 0.00 0.00 64.86 65.09 1kgp h ILE 194 Cb 0.97 1.37 -0.07 0.00 -0.74 0.00 0.00 36.82 38.35 1kgp h ILE 194 CO 0.09 0.28 0.55 0.40 0.00 0.00 0.00 178.15 179.47 1kgp h ILE 195 N 0.20 0.95 -0.36 -0.67 1.08 -1.11 -0.70 117.51 116.89 1kgp h ILE 195 Ca 0.07 -0.32 -0.04 0.00 -0.39 0.00 0.00 64.86 64.18 1kgp h ILE 195 Cb 0.41 -0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.09 1kgp h ILE 195 CO 0.01 0.17 0.05 0.03 -0.69 0.00 0.00 178.15 177.73 1kgp h ARG 196 N 0.92 0.54 -0.21 2.37 3.08 -0.78 0.50 114.38 120.81 1kgp h ARG 196 Ca 0.43 -0.10 -0.16 0.00 0.07 0.00 0.00 59.98 60.22 1kgp h ARG 196 Cb 0.35 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1kgp h ARG 196 CO -0.23 0.53 -0.51 -0.07 -1.07 0.00 0.00 179.97 178.61 1kgp h LEU 197 N 0.53 0.65 -0.29 3.04 3.38 -0.73 -1.63 115.31 120.27 1kgp h LEU 197 Ca 0.12 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1kgp h LEU 197 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1kgp h LEU 197 CO 0.00 1.05 0.03 0.40 0.09 0.00 0.00 178.44 180.01 1kgp h ILE 198 N 0.46 1.24 -0.93 1.22 2.04 -0.26 -2.90 117.51 118.38 1kgp h ILE 198 Ca 0.02 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1kgp h ILE 198 Cb 1.05 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 1kgp h ILE 198 CO 0.10 0.27 0.54 0.40 0.00 0.00 0.00 178.15 179.47 1kgp h ILE 199 N 0.31 1.26 -0.77 -0.67 2.04 -0.85 0.35 117.51 119.18 1kgp h ILE 199 Ca 0.09 -0.60 0.12 0.00 1.00 0.00 0.00 64.86 65.47 1kgp h ILE 199 Cb 0.37 -0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.36 1kgp h ILE 199 CO 0.01 0.28 0.51 -0.09 0.00 0.00 0.00 178.15 178.86 1kgp h ARG 200 N 1.30 0.55 0.00 2.37 2.43 -1.16 0.74 114.38 120.61 1kgp h ARG 200 Ca 0.33 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1kgp h ARG 200 Cb -0.02 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1kgp h ARG 200 CO -0.06 0.36 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.27 1kgp h ASP 201 N 0.57 0.00 -1.00 -3.80 3.32 -1.10 -3.33 116.42 111.07 1kgp h ASP 201 Ca 0.37 -0.67 0.10 0.00 0.02 0.00 0.00 57.03 56.85 1kgp h ASP 201 Cb 0.66 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.13 1kgp h ASP 201 CO -0.14 0.87 0.63 -0.33 -1.72 0.00 0.00 179.24 178.55 1kgp h GLU 202 N -1.00 1.03 -0.84 3.56 4.39 -0.55 -1.10 114.58 120.08 1kgp h GLU 202 Ca -0.01 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1kgp h GLU 202 Cb 0.71 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 1kgp h GLU 202 CO -0.01 0.68 0.54 0.66 -1.16 0.00 0.00 179.01 179.72 1kgp h SER 203 N 1.06 0.97 0.04 1.42 4.64 -1.03 0.57 113.55 121.22 1kgp h SER 203 Ca 0.47 -0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 61.57 1kgp h SER 203 Cb 0.37 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1kgp h SER 203 CO -0.23 0.72 -0.69 0.58 -0.87 0.00 0.00 176.83 176.34 1kgp h VAL 204 N 1.14 1.33 0.32 0.95 2.07 -1.36 -2.28 116.25 118.42 1kgp h VAL 204 Ca 0.31 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 1kgp h VAL 204 Cb -0.11 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1kgp h VAL 204 CO -0.06 0.61 -0.15 0.45 0.02 0.00 0.00 177.57 178.43 1kgp h HIS 205 N 0.42 -0.40 -0.80 1.57 -0.00 -0.42 -0.27 115.15 115.25 1kgp h HIS 205 Ca -0.02 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.37 1kgp h HIS 205 Cb 1.27 0.13 -0.05 0.00 -0.00 0.00 0.00 27.41 28.76 1kgp h HIS 205 CO 0.06 -0.18 0.50 0.78 -0.00 0.00 0.00 177.93 179.10 1kgp h GLY 206 N -0.54 1.16 0.92 2.45 0.00 -0.97 -0.09 103.07 106.00 1kgp h GLY 206 Ca -0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1kgp h GLY 206 CO 0.07 0.31 -0.02 -1.82 0.00 0.00 0.00 176.54 175.09 1kgp h TYR 207 N 0.97 -0.04 -0.15 5.60 3.20 -1.27 -1.40 116.97 123.88 1kgp h TYR 207 Ca 0.32 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 1kgp h TYR 207 Cb 0.04 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1kgp h TYR 207 CO -0.03 0.05 0.03 -0.92 -1.64 0.00 0.00 178.16 175.65 1kgp h TYR 208 N -0.13 0.25 -0.41 -3.82 3.20 -0.80 0.06 116.97 115.33 1kgp h TYR 208 Ca -0.00 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.73 1kgp h TYR 208 Cb 0.11 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1kgp h TYR 208 CO -0.05 0.40 -0.17 0.82 -1.64 0.00 0.00 178.16 177.53 1kgp h ILE 209 N 0.03 1.26 -0.61 1.81 2.04 -1.08 -1.14 117.51 119.83 1kgp h ILE 209 Ca 0.05 -1.25 -0.05 0.00 1.00 0.00 0.00 64.86 64.61 1kgp h ILE 209 Cb 0.28 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1kgp h ILE 209 CO 0.00 0.42 0.17 1.23 0.00 0.00 0.00 178.15 179.98 1kgp h GLY 210 N 0.97 0.99 1.00 5.37 0.00 -1.15 -0.82 103.07 109.43 1kgp h GLY 210 Ca 0.11 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1kgp h GLY 210 CO 0.05 0.53 0.26 -1.82 0.00 0.00 0.00 176.54 175.56 1kgp h TYR 211 N 0.89 0.96 -0.35 5.60 3.20 -0.43 -1.41 116.97 125.44 1kgp h TYR 211 Ca 0.20 -0.07 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 1kgp h TYR 211 Cb 0.28 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1kgp h TYR 211 CO 0.02 0.75 -0.22 0.87 -1.64 0.00 0.00 178.16 177.94 1kgp h LYS 212 N 0.89 0.67 -0.12 1.82 1.79 -0.75 -2.16 116.57 118.71 1kgp h LYS 212 Ca 0.21 -0.26 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1kgp h LYS 212 Cb 0.19 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1kgp h LYS 212 CO -0.02 0.83 0.06 -0.92 -1.08 0.00 0.00 179.45 178.33 1kgp h TYR 213 N 0.59 0.17 -0.67 -1.35 3.20 -0.86 -1.83 116.97 116.22 1kgp h TYR 213 Ca 0.09 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.01 1kgp h TYR 213 Cb 0.69 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 1kgp h TYR 213 CO 0.03 0.21 0.38 1.96 -1.64 0.00 0.00 178.16 179.11 1kgp h GLN 214 N 0.08 0.69 -0.34 1.82 4.20 -1.01 0.20 115.11 120.76 1kgp h GLN 214 Ca 0.04 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1kgp h GLN 214 Cb 0.10 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1kgp h GLN 214 CO -0.01 0.46 0.20 1.96 -0.67 0.00 0.00 178.83 180.77 1kgp h GLN 215 N 0.71 0.46 0.08 1.46 4.20 -1.26 -1.75 115.11 119.02 1kgp h GLN 215 Ca 0.30 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 1kgp h GLN 215 Cb 0.17 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1kgp h GLN 215 CO -0.17 0.36 -0.04 0.78 -0.67 0.00 0.00 178.83 179.09 1kgp h GLY 216 N 0.43 -0.12 1.47 3.46 0.00 -0.76 -3.26 103.07 104.29 1kgp h GLY 216 Ca 0.12 0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.41 1kgp h GLY 216 CO -0.02 -0.04 -0.11 -0.24 0.00 0.00 0.00 176.54 176.13 1kgp h VAL 217 N -0.27 1.24 0.00 4.60 3.04 -0.93 -2.83 116.25 121.10 1kgp h VAL 217 Ca -0.01 -1.08 0.00 0.00 -1.01 0.00 0.00 66.70 64.60 1kgp h VAL 217 Cb 0.23 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1kgp h VAL 217 CO 0.02 0.36 0.00 0.11 -1.01 0.00 0.00 177.57 177.05 1kgp h LYS 218 N 0.58 0.00 -0.00 4.17 1.79 -1.36 -1.69 116.57 120.06 1kgp h LYS 218 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1kgp h LYS 218 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1kgp h LYS 218 CO 0.03 0.00 -0.31 1.63 -1.08 0.00 0.00 179.45 179.72 1kgp n LYS 219 N -2.72 0.07 -2.30 3.15 5.02 -1.07 -4.93 118.16 115.38 1kgp n LYS 219 Ca -0.02 -0.03 -0.25 0.00 -2.02 0.00 0.00 58.31 55.99 1kgp n LYS 219 Cb 0.09 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.67 1kgp n LYS 219 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1kgp s LEU 220 N -2.95 2.91 1.00 -0.35 1.43 -0.64 -5.06 118.68 115.02 1kgp s LEU 220 Ca 0.13 0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.42 1kgp s LEU 220 Cb 0.18 -2.94 0.19 0.00 0.03 0.00 0.00 46.19 43.66 1kgp s LEU 220 CO 0.63 -1.59 1.08 -0.94 0.23 0.00 0.00 176.35 175.76 1kgp s SER 221 N -4.53 2.33 0.26 2.29 1.04 -1.26 -4.74 113.70 109.08 1kgp s SER 221 Ca 0.61 1.73 -0.04 0.00 0.48 0.00 0.00 55.95 58.73 1kgp s SER 221 Cb -0.10 -2.35 0.31 0.00 0.10 0.00 0.00 66.02 63.98 1kgp s SER 221 CO 0.44 -3.39 1.84 -0.08 0.98 0.00 0.00 173.24 173.02 1kgp h GLU 222 N -2.07 1.03 -0.54 4.02 4.81 -1.97 -1.47 114.58 118.40 1kgp h GLU 222 Ca -0.52 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 58.51 1kgp h GLU 222 Cb 1.30 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 1kgp h GLU 222 CO 0.49 0.83 0.19 0.00 -0.73 0.00 0.00 179.01 179.79 1kgp h ALA 223 N 1.31 0.71 -0.18 2.92 0.00 -2.00 -2.24 119.26 119.77 1kgp h ALA 223 Ca 0.24 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1kgp h ALA 223 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1kgp h ALA 223 CO -0.02 0.34 -0.51 0.93 0.00 0.00 0.00 179.25 179.99 1kgp h GLU 224 N 0.74 0.50 -0.13 0.00 5.08 -1.84 -1.96 114.58 116.96 1kgp h GLU 224 Ca 0.18 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1kgp h GLU 224 Cb 0.24 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1kgp h GLU 224 CO -0.01 0.89 -0.20 1.96 -1.00 0.00 0.00 179.01 180.65 1kgp h GLN 225 N 0.39 0.22 -0.24 2.33 4.20 -1.13 -0.45 115.11 120.42 1kgp h GLN 225 Ca 0.02 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.50 1kgp h GLN 225 Cb 1.03 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.78 1kgp h GLN 225 CO 0.09 0.42 -0.53 0.93 -0.67 0.00 0.00 178.83 179.08 1kgp h GLU 226 N 0.20 0.71 -0.53 1.46 5.08 -1.07 -2.09 114.58 118.34 1kgp h GLU 226 Ca 0.04 -0.44 -0.12 0.00 -1.00 0.00 0.00 59.36 57.84 1kgp h GLU 226 Cb 0.48 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1kgp h GLU 226 CO 0.03 1.06 -0.13 0.93 -1.00 0.00 0.00 179.01 179.90 1kgp h GLU 227 N 0.55 1.02 -0.33 2.33 5.08 -0.80 -1.68 114.58 120.74 1kgp h GLU 227 Ca 0.02 -0.39 -0.12 0.00 -1.00 0.00 0.00 59.36 57.87 1kgp h GLU 227 Cb 1.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1kgp h GLU 227 CO 0.11 1.07 -0.28 1.88 -1.00 0.00 0.00 179.01 180.79 1kgp h TYR 228 N 0.90 0.79 -0.29 4.33 0.05 -1.02 -0.06 116.97 121.68 1kgp h TYR 228 Ca 0.14 -0.19 -0.04 0.00 0.05 0.00 0.00 58.73 58.68 1kgp h TYR 228 Cb 0.70 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 1kgp h TYR 228 CO 0.05 0.89 0.03 -0.22 -1.05 0.00 0.00 178.16 177.86 1kgp h LYS 229 N 0.60 0.49 -0.76 4.88 3.64 -1.27 -0.56 116.57 123.59 1kgp h LYS 229 Ca 0.08 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1kgp h LYS 229 Cb 0.78 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 1kgp h LYS 229 CO 0.06 0.61 0.50 0.00 -2.27 0.00 0.00 179.45 178.36 1kgp h ALA 230 N 0.86 0.97 -0.66 5.00 0.00 -1.06 -1.66 119.26 122.70 1kgp h ALA 230 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1kgp h ALA 230 Cb 0.37 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1kgp h ALA 230 CO 0.01 0.37 0.39 -0.92 0.00 0.00 0.00 179.25 179.10 1kgp h TYR 231 N 1.02 0.88 -0.33 0.00 5.03 -0.83 -0.24 116.97 122.50 1kgp h TYR 231 Ca 0.28 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.57 1kgp h TYR 231 Cb -0.10 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 37.87 1kgp h TYR 231 CO -0.02 0.60 0.15 1.15 -1.32 0.00 0.00 178.16 178.72 1kgp h THR 232 N 0.90 1.17 -0.39 1.81 2.02 -0.55 -0.75 112.91 117.12 1kgp h THR 232 Ca 0.24 -0.49 -0.11 0.00 0.77 0.00 0.00 66.41 66.82 1kgp h THR 232 Cb -0.01 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1kgp h THR 232 CO -0.04 0.17 -0.19 -0.26 0.37 0.00 0.00 175.52 175.57 1kgp h PHE 233 N 0.39 0.84 -0.56 3.16 -1.00 -1.18 -1.76 116.94 116.83 1kgp h PHE 233 Ca 0.11 -0.18 0.00 0.00 2.81 0.00 0.00 57.97 60.71 1kgp h PHE 233 Cb 0.14 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.46 1kgp h PHE 233 CO -0.01 0.88 0.36 -0.44 -1.61 0.00 0.00 178.31 177.49 1kgp h ASP 234 N 0.66 0.65 -0.75 2.17 3.45 -0.67 -0.23 116.42 121.71 1kgp h ASP 234 Ca 0.10 -0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.49 1kgp h ASP 234 Cb 0.69 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 39.26 1kgp h ASP 234 CO 0.05 0.48 0.31 0.25 -1.57 0.00 0.00 179.24 178.77 1kgp h LEU 235 N 0.75 1.02 -0.75 1.55 5.85 -0.92 -1.96 115.31 120.85 1kgp h LEU 235 Ca 0.20 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1kgp h LEU 235 Cb -0.07 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 1kgp h LEU 235 CO -0.04 0.90 0.31 -0.03 -0.34 0.00 0.00 178.44 179.24 1kgp h MET 236 N 1.07 1.11 -0.49 1.25 4.05 -0.87 0.15 114.93 121.20 1kgp h MET 236 Ca 0.25 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1kgp h MET 236 Cb 0.19 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 1kgp h MET 236 CO -0.02 0.90 0.29 1.88 0.23 0.00 0.00 176.91 180.19 1kgp h TYR 237 N 1.07 0.66 -0.39 1.39 0.05 -0.65 0.90 116.97 120.00 1kgp h TYR 237 Ca 0.25 -0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.92 1kgp h TYR 237 Cb 0.20 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 1kgp h TYR 237 CO 0.02 0.46 -0.15 -0.44 -1.05 0.00 0.00 178.16 177.00 1kgp h ASP 238 N 0.66 0.81 -0.25 3.88 3.32 -1.01 -1.20 116.42 122.64 1kgp h ASP 238 Ca 0.18 -0.39 -0.12 0.00 0.02 0.00 0.00 57.03 56.72 1kgp h ASP 238 Cb 0.01 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1kgp h ASP 238 CO -0.03 1.02 -0.24 -0.07 -1.72 0.00 0.00 179.24 178.19 1kgp h LEU 239 N 0.60 0.74 0.01 1.55 3.38 -0.51 -2.24 115.31 118.84 1kgp h LEU 239 Ca 0.09 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1kgp h LEU 239 Cb 0.70 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1kgp h LEU 239 CO 0.05 0.96 -0.00 0.22 0.09 0.00 0.00 178.44 179.75 1kgp h TYR 240 N 0.63 -0.01 -0.37 1.13 3.20 -0.73 0.54 116.97 121.36 1kgp h TYR 240 Ca 0.08 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.03 1kgp h TYR 240 Cb 0.75 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.95 1kgp h TYR 240 CO 0.04 0.24 -0.06 1.49 -1.64 0.00 0.00 178.16 178.23 1kgp h GLU 241 N -0.27 0.03 -0.56 1.82 4.81 -1.15 -0.03 114.58 119.24 1kgp h GLU 241 Ca -0.00 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1kgp h GLU 241 Cb 0.26 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1kgp h GLU 241 CO 0.00 0.02 0.09 -0.97 -0.73 0.00 0.00 179.01 177.43 1kgp h ASN 242 N 0.03 0.84 0.39 1.04 -1.24 -1.30 -2.76 115.58 112.58 1kgp h ASN 242 Ca 0.18 -0.17 -0.11 0.00 0.71 0.00 0.00 56.30 56.91 1kgp h ASN 242 Cb 0.27 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 1kgp h ASN 242 CO -0.35 0.84 -0.47 -0.08 -1.29 0.00 0.00 177.43 176.08 1kgp h GLU 243 N 0.84 0.10 -0.53 6.67 4.57 -0.06 -2.21 114.58 123.97 1kgp h GLU 243 Ca 0.18 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1kgp h GLU 243 Cb 0.37 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 1kgp h GLU 243 CO 0.01 0.56 0.34 0.82 -1.18 0.00 0.00 179.01 179.56 1kgp h ILE 244 N 0.09 1.14 -0.36 2.32 1.08 -0.74 0.13 117.51 121.17 1kgp h ILE 244 Ca 0.00 -0.27 -0.09 0.00 -0.39 0.00 0.00 64.86 64.11 1kgp h ILE 244 Cb 0.87 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 1kgp h ILE 244 CO 0.07 0.14 -0.14 -0.08 -0.69 0.00 0.00 178.15 177.45 1kgp h GLU 245 N 0.71 0.73 -0.50 2.37 4.81 -1.40 -1.47 114.58 119.83 1kgp h GLU 245 Ca 0.19 -0.30 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1kgp h GLU 245 Cb -0.07 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 1kgp h GLU 245 CO -0.04 0.91 0.28 -0.92 -0.73 0.00 0.00 179.01 178.51 1kgp h TYR 246 N 0.52 0.52 -0.49 0.92 3.20 -1.13 -2.24 116.97 118.27 1kgp h TYR 246 Ca 0.08 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1kgp h TYR 246 Cb 0.67 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1kgp h TYR 246 CO 0.06 0.28 0.19 1.15 -1.64 0.00 0.00 178.16 178.19 1kgp h THR 247 N 0.56 1.22 -0.22 1.81 2.02 -0.62 -2.03 112.91 115.64 1kgp h THR 247 Ca 0.21 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.73 1kgp h THR 247 Cb 0.06 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1kgp h THR 247 CO -0.12 0.26 0.07 -0.33 0.37 0.00 0.00 175.52 175.77 1kgp h GLU 248 N 0.66 0.17 -0.30 6.66 5.08 -1.00 0.15 114.58 126.00 1kgp h GLU 248 Ca 0.16 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1kgp h GLU 248 Cb 0.22 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1kgp h GLU 248 CO -0.01 0.11 -0.10 -0.44 -1.00 0.00 0.00 179.01 177.57 1kgp h ASP 249 N 0.17 0.48 0.21 1.42 3.32 -1.24 -0.43 116.42 120.36 1kgp h ASP 249 Ca 0.10 -0.12 -0.31 0.00 0.02 0.00 0.00 57.03 56.72 1kgp h ASP 249 Cb 0.07 -0.13 0.03 0.00 0.22 0.00 0.00 39.33 39.52 1kgp h ASP 249 CO -0.10 0.62 -1.32 0.40 -1.72 0.00 0.00 179.24 177.12 1kgp h ILE 250 N 0.47 1.30 -0.01 0.35 2.04 -1.10 -3.40 117.51 117.16 1kgp h ILE 250 Ca 0.09 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 63.37 1kgp h ILE 250 Cb 0.46 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.36 1kgp h ILE 250 CO 0.03 0.78 -0.45 -1.22 0.00 0.00 0.00 178.15 177.28 1kgp n TYR 251 N -3.75 0.00 -0.20 1.37 4.01 0.02 -4.65 117.16 113.96 1kgp n TYR 251 Ca -0.14 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.57 1kgp n TYR 251 Cb 1.03 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 40.13 1kgp n TYR 251 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1kgp h ASP 252 N 1.43 0.40 0.52 7.72 5.19 -1.25 -0.69 116.42 129.75 1kgp h ASP 252 Ca 0.00 0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.41 1kgp h ASP 252 Cb 0.53 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 1kgp h ASP 252 CO 0.00 0.26 -0.18 0.44 -3.12 0.00 0.00 179.24 176.64 1kgp h ASP 253 N 0.54 0.00 1.25 6.45 3.32 -1.84 -2.39 116.42 123.75 1kgp h ASP 253 Ca 0.27 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.18 1kgp h ASP 253 Cb 0.20 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1kgp h ASP 253 CO -0.20 0.18 -0.78 -0.07 -1.72 0.00 0.00 179.24 176.66 1kgp h LEU 254 N 0.00 0.00 0.00 1.55 3.38 -1.62 -3.48 115.31 115.14 1kgp h LEU 254 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1kgp h LEU 254 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1kgp h LEU 254 CO 0.02 0.61 0.00 0.61 0.09 0.00 0.00 178.44 179.78 1kgp n GLY 255 N 1.28 0.63 0.29 0.83 0.00 -0.35 -4.94 105.19 102.94 1kgp n GLY 255 Ca -0.01 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1kgp n GLY 255 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1kgp n TRP 256 N -2.71 0.00 -0.24 1.61 8.01 -1.11 -4.62 117.44 118.39 1kgp n TRP 256 Ca 0.00 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.17 1kgp n TRP 256 Cb 0.00 -0.09 0.05 0.00 -2.01 0.00 0.00 31.31 29.26 1kgp n TRP 256 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.69 177.83 1kgp h THR 257 N 1.43 0.21 -0.76 -0.99 2.02 -1.90 -2.12 112.91 110.80 1kgp h THR 257 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1kgp h THR 257 Cb 0.59 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 1kgp h THR 257 CO 0.00 0.00 0.47 -0.33 0.37 0.00 0.00 175.52 176.03 1kgp h GLU 258 N -0.08 0.87 -0.38 6.66 4.39 -1.96 -1.00 114.58 123.09 1kgp h GLU 258 Ca 0.30 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.85 1kgp h GLU 258 Cb 0.55 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1kgp h GLU 258 CO -0.73 0.58 -0.13 -0.44 -1.16 0.00 0.00 179.01 177.13 1kgp h ASP 259 N 0.90 0.68 -0.14 1.42 3.32 -1.76 -2.27 116.42 118.56 1kgp h ASP 259 Ca 0.32 -0.20 -0.18 0.00 0.02 0.00 0.00 57.03 56.99 1kgp h ASP 259 Cb 0.07 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1kgp h ASP 259 CO -0.13 0.83 -0.55 0.58 -1.72 0.00 0.00 179.24 178.24 1kgp h VAL 260 N 0.62 1.30 -0.44 -1.35 2.07 -0.96 -2.50 116.25 114.99 1kgp h VAL 260 Ca 0.11 -1.77 -0.05 0.00 0.82 0.00 0.00 66.70 65.81 1kgp h VAL 260 Cb 0.58 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1kgp h VAL 260 CO 0.04 0.56 0.07 0.11 0.02 0.00 0.00 177.57 178.37 1kgp h LYS 261 N 0.56 0.67 -0.77 1.57 1.57 -0.99 0.27 116.57 119.45 1kgp h LYS 261 Ca 0.01 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1kgp h LYS 261 Cb 1.13 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.31 1kgp h LYS 261 CO 0.11 0.63 0.42 0.00 -0.57 0.00 0.00 179.45 180.05 1kgp h ARG 262 N 0.64 1.07 -0.51 3.15 3.08 -1.23 -1.98 114.38 118.60 1kgp h ARG 262 Ca 0.14 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1kgp h ARG 262 Cb 0.29 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1kgp h ARG 262 CO 0.00 0.80 0.09 0.35 -1.07 0.00 0.00 179.97 180.14 1kgp h PHE 263 N 1.06 0.82 -0.12 3.04 3.57 -0.90 -1.47 116.94 122.93 1kgp h PHE 263 Ca 0.27 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1kgp h PHE 263 Cb 0.04 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1kgp h PHE 263 CO 0.00 0.71 0.02 -0.07 -2.23 0.00 0.00 178.31 176.74 1kgp h LEU 264 N 0.76 0.01 -1.06 0.59 3.38 -0.37 -1.50 115.31 117.11 1kgp h LEU 264 Ca 0.16 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1kgp h LEU 264 Cb 0.33 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1kgp h LEU 264 CO 0.00 0.02 0.00 0.03 0.09 0.00 0.00 178.44 178.59 1kgp h ARG 265 N 0.07 0.67 -0.67 1.13 3.08 -0.96 0.21 114.38 117.91 1kgp h ARG 265 Ca 0.05 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1kgp h ARG 265 Cb 0.04 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1kgp h ARG 265 CO -0.07 0.68 0.43 -0.92 -1.07 0.00 0.00 179.97 179.02 1kgp h TYR 266 N 0.63 0.86 0.01 3.04 3.20 -0.99 -2.16 116.97 121.56 1kgp h TYR 266 Ca 0.13 0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.81 1kgp h TYR 266 Cb 0.39 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1kgp h TYR 266 CO 0.02 0.56 -0.96 -0.91 -1.64 0.00 0.00 178.16 175.23 1kgp h ASN 267 N 0.91 0.04 -0.73 -2.11 2.35 -0.88 -3.08 115.58 112.09 1kgp h ASN 267 Ca 0.24 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 1kgp h ASN 267 Cb -0.07 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1kgp h ASN 267 CO -0.05 0.97 0.37 0.00 -1.65 0.00 0.00 177.43 177.08 1kgp h ALA 268 N 1.02 0.93 -0.47 -0.83 0.00 -0.68 -0.60 119.26 118.63 1kgp h ALA 268 Ca -0.02 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1kgp h ALA 268 Cb 1.67 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1kgp h ALA 268 CO 0.13 0.47 0.29 -0.91 0.00 0.00 0.00 179.25 179.23 1kgp h ASN 269 N 1.01 0.47 -0.54 0.00 2.35 -1.39 -2.08 115.58 115.39 1kgp h ASN 269 Ca 0.25 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.91 1kgp h ASN 269 Cb 0.08 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1kgp h ASN 269 CO -0.04 0.33 0.00 0.11 -1.65 0.00 0.00 177.43 176.19 1kgp h LYS 270 N 0.58 0.99 -0.39 0.81 1.57 -1.38 -1.45 116.57 117.29 1kgp h LYS 270 Ca 0.19 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1kgp h LYS 270 Cb 0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1kgp h LYS 270 CO -0.08 0.97 0.25 0.00 -0.57 0.00 0.00 179.45 180.02 1kgp h ALA 271 N 1.08 0.50 -0.80 3.86 0.00 -0.83 -0.85 119.26 122.22 1kgp h ALA 271 Ca 0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1kgp h ALA 271 Cb 0.53 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1kgp h ALA 271 CO 0.03 -0.03 0.33 -0.07 0.00 0.00 0.00 179.25 179.51 1kgp h LEU 272 N 0.52 1.09 -1.15 0.00 3.38 -1.20 -2.27 115.31 115.68 1kgp h LEU 272 Ca 0.14 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1kgp h LEU 272 Cb -0.04 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 1kgp h LEU 272 CO -0.03 0.95 0.50 0.78 0.09 0.00 0.00 178.44 180.73 1kgp h ASN 273 N 1.15 0.95 0.20 -0.43 2.35 -0.80 -0.53 115.58 118.46 1kgp h ASN 273 Ca 0.27 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 1kgp h ASN 273 Cb 0.20 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1kgp h ASN 273 CO -0.02 0.72 -0.03 0.78 -1.65 0.00 0.00 177.43 177.22 1kgp h ASN 274 N 1.10 0.00 -0.38 5.81 2.35 -0.57 -0.28 115.58 123.61 1kgp h ASN 274 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1kgp h ASN 274 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1kgp h ASN 274 CO -0.06 0.03 0.00 0.18 -1.65 0.00 0.00 177.43 175.93 1kgp n LEU 275 N -3.44 3.04 0.00 1.61 4.77 -0.34 -3.99 117.00 118.65 1kgp n LEU 275 Ca -0.02 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.61 1kgp n LEU 275 Cb 0.14 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1kgp n LEU 275 CO 0.25 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1kgp n GLY 276 N 1.42 0.68 3.75 -0.72 0.00 -0.12 -4.69 105.19 105.51 1kgp n GLY 276 Ca 0.19 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1kgp n GLY 276 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kgp s TYR 277 N -2.00 2.80 0.74 1.61 2.02 -0.45 -4.97 117.35 117.10 1kgp s TYR 277 Ca 0.00 -0.29 -0.13 0.00 -0.37 0.00 0.00 57.07 56.27 1kgp s TYR 277 Cb 0.00 -1.55 0.04 0.00 -0.40 0.00 0.00 41.96 40.06 1kgp s TYR 277 CO 0.00 0.39 1.14 -1.83 -1.57 0.00 0.00 175.55 173.68 1kgp s GLU 278 N -3.84 2.24 0.93 -0.62 1.03 -1.26 -3.03 118.70 114.16 1kgp s GLU 278 Ca 0.36 1.47 -0.12 0.00 0.03 0.00 0.00 54.97 56.72 1kgp s GLU 278 Cb -0.05 -1.87 0.15 0.00 -0.80 0.00 0.00 34.13 31.56 1kgp s GLU 278 CO 0.23 -1.70 1.09 0.20 -1.33 0.00 0.00 175.26 173.76 1kgp s GLY 279 N -2.61 1.60 -0.24 -3.83 0.00 -1.26 -4.68 107.32 96.30 1kgp s GLY 279 Ca 0.68 -0.14 0.04 0.00 0.00 0.00 0.00 44.72 45.30 1kgp s GLY 279 CO 0.48 0.39 -0.17 -0.10 0.00 0.00 0.00 173.10 173.70 1kgp n LEU 280 N -4.00 2.47 -4.75 0.66 7.94 -1.26 -4.98 117.00 113.07 1kgp n LEU 280 Ca 0.06 -0.11 -0.35 0.00 -1.11 0.00 0.00 56.01 54.50 1kgp n LEU 280 Cb 0.56 -0.63 -0.08 0.00 0.53 0.00 0.00 43.42 43.79 1kgp n LEU 280 CO 0.56 0.84 -0.26 -0.36 -1.11 0.00 0.00 177.39 177.06 1kgp s PHE 281 N -2.49 3.31 0.53 1.96 0.08 -1.26 -5.09 117.98 115.02 1kgp s PHE 281 Ca -0.29 0.30 -0.21 0.00 0.12 0.00 0.00 56.93 56.85 1kgp s PHE 281 Cb 0.08 -1.83 -0.06 0.00 -0.57 0.00 0.00 43.02 40.65 1kgp s PHE 281 CO 0.61 0.56 1.19 -1.25 -0.10 0.00 0.00 175.22 176.23 1kgp s PRO 282 N -1.01 3.35 0.34 0.24 0.04 -1.26 -4.91 135.00 131.79 1kgp s PRO 282 Ca 0.15 1.80 0.13 0.00 0.04 0.00 0.00 61.00 63.11 1kgp s PRO 282 Cb -0.12 -2.14 1.00 0.00 0.04 0.00 0.00 34.50 33.29 1kgp s PRO 282 CO 0.04 -0.90 1.70 1.15 0.04 0.00 0.00 177.00 179.03 1kgp h THR 283 N 1.35 0.42 0.00 1.26 2.02 -1.98 0.28 112.91 116.26 1kgp h THR 283 Ca -0.50 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1kgp h THR 283 Cb 1.27 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1kgp h THR 283 CO 0.57 0.08 0.00 -0.90 0.37 0.00 0.00 175.52 175.65 1kgp n ASP 284 N -4.95 0.00 -0.95 4.18 5.68 -1.26 -1.41 116.55 117.84 1kgp n ASP 284 Ca 0.29 0.32 0.09 0.00 -0.50 0.00 0.00 54.79 55.00 1kgp n ASP 284 Cb 0.88 -0.39 0.19 0.00 -1.14 0.00 0.00 41.12 40.66 1kgp n ASP 284 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1kgp n GLU 285 N -1.39 2.36 -0.94 0.11 1.02 0.09 -4.54 120.64 117.35 1kgp n GLU 285 Ca 0.03 -2.13 0.02 0.00 -0.02 0.00 0.00 57.16 55.07 1kgp n GLU 285 Cb 0.09 -1.41 0.16 0.00 -0.02 0.00 0.00 31.44 30.25 1kgp n GLU 285 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1kgp n THR 286 N 1.13 1.88 -1.99 2.62 -2.24 -0.50 -4.66 114.28 110.52 1kgp n THR 286 Ca 0.16 -3.00 -0.42 0.00 -2.27 0.00 0.00 64.05 58.53 1kgp n THR 286 Cb 0.51 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 1kgp n THR 286 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1kgp s LYS 287 N -2.79 4.23 -0.01 -0.78 1.02 -1.26 -4.70 119.74 115.46 1kgp s LYS 287 Ca 0.39 2.28 0.06 0.00 0.02 0.00 0.00 55.97 58.71 1kgp s LYS 287 Cb 0.38 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 34.38 1kgp s LYS 287 CO -0.07 -0.60 -0.19 0.08 -0.92 0.00 0.00 175.35 173.65 1kgp s VAL 288 N 1.54 1.50 0.33 3.17 1.01 -1.26 -4.59 120.40 122.10 1kgp s VAL 288 Ca 0.70 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 61.57 1kgp s VAL 288 Cb -0.41 -1.25 -0.12 0.00 0.00 0.00 0.00 36.38 34.60 1kgp s VAL 288 CO 0.31 0.41 1.37 -0.24 0.00 0.00 0.00 175.10 176.96 1kgp n SER 289 N 2.58 3.07 0.24 3.32 2.88 -1.26 -4.86 113.62 119.59 1kgp n SER 289 Ca -0.15 1.20 0.10 0.00 -1.33 0.00 0.00 58.87 58.68 1kgp n SER 289 Cb 0.53 -1.51 0.62 0.00 -0.75 0.00 0.00 64.21 63.10 1kgp n SER 289 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1kgp h PRO 290 N 3.08 0.00 -0.20 -1.46 0.13 -1.99 -1.75 132.00 129.80 1kgp h PRO 290 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 1kgp h PRO 290 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1kgp h PRO 290 CO 0.66 0.17 -0.41 0.00 -0.23 0.00 0.00 178.00 178.19 1kgp h ALA 291 N 1.83 0.92 -0.05 -0.56 0.00 -2.00 -1.25 119.26 118.16 1kgp h ALA 291 Ca -0.00 -0.43 -0.25 0.00 0.00 0.00 0.00 54.91 54.22 1kgp h ALA 291 Cb 0.39 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.10 1kgp h ALA 291 CO 0.02 0.63 -0.95 0.82 0.00 0.00 0.00 179.25 179.78 1kgp h ILE 292 N 0.38 1.28 -0.38 0.00 2.04 -1.75 -2.74 117.51 116.36 1kgp h ILE 292 Ca 0.03 -2.16 -0.06 0.00 1.00 0.00 0.00 64.86 63.67 1kgp h ILE 292 Cb 0.88 2.24 -0.02 0.00 -0.74 0.00 0.00 36.82 39.19 1kgp h ILE 292 CO 0.07 0.67 -0.00 -0.07 0.00 0.00 0.00 178.15 178.82 1kgp h LEU 293 N 0.44 0.57 -0.02 1.44 3.38 -1.20 -2.22 115.31 117.71 1kgp h LEU 293 Ca -0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1kgp h LEU 293 Cb 1.59 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1kgp h LEU 293 CO 0.19 0.65 -0.03 0.77 0.09 0.00 0.00 178.44 180.10 1kgp h SER 294 N 0.57 0.05 0.33 -0.43 4.64 -1.25 0.10 113.55 117.57 1kgp h SER 294 Ca 0.12 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1kgp h SER 294 Cb 0.37 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1kgp h SER 294 CO 0.01 0.61 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 1kgp n SER 295 N -4.77 0.32 -0.11 4.97 3.41 -1.03 -2.59 113.62 113.81 1kgp n SER 295 Ca -0.08 0.61 -0.23 0.00 -0.26 0.00 0.00 58.87 58.90 1kgp n SER 295 Cb 0.31 -0.66 -0.10 0.00 -0.26 0.00 0.00 64.21 63.49 1kgp n SER 295 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1kgp n LEU 296 N -1.89 1.89 0.00 1.04 7.94 -0.84 -4.98 117.00 120.16 1kgp n LEU 296 Ca 0.01 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.32 1kgp n LEU 296 Cb 0.11 -0.90 0.00 0.00 0.53 0.00 0.00 43.42 43.17 1kgp n LEU 296 CO 0.11 0.30 0.00 -1.20 -1.11 0.00 0.00 177.39 175.49