#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kgp n ASN 3 N 0.00 2.68 -0.33 6.43 5.03 -1.26 -4.72 115.26 123.09 1kgp n ASN 3 Ca 0.00 0.00 0.26 0.00 0.87 0.00 0.00 54.58 55.71 1kgp n ASN 3 Cb 0.00 0.10 0.50 0.00 -1.02 0.00 0.00 39.78 39.36 1kgp n ASN 3 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1kgp h GLU 4 N 0.00 0.12 -0.02 3.52 4.81 -2.09 0.25 114.58 121.17 1kgp h GLU 4 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1kgp h GLU 4 Cb 0.62 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1kgp h GLU 4 CO 0.00 0.08 -0.05 2.48 -0.73 0.00 0.00 179.01 180.80 1kgp n TYR 5 N -5.21 0.00 -0.37 0.92 0.18 -1.26 -4.44 117.16 106.99 1kgp n TYR 5 Ca 0.33 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.12 1kgp n TYR 5 Cb 1.10 -0.01 0.14 0.00 -0.38 0.00 0.00 39.34 40.19 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 3.28 1.08 -0.37 9.48 3.32 -0.79 -1.92 116.42 130.50 1kgp h ASP 6 Ca 0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1kgp h ASP 6 Cb 0.73 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1kgp h ASP 6 CO 0.00 0.73 0.07 -0.08 -1.72 0.00 0.00 179.24 178.25 1kgp h GLU 7 N 1.25 0.61 -0.55 3.56 4.81 -1.78 -1.22 114.58 121.27 1kgp h GLU 7 Ca 0.40 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1kgp h GLU 7 Cb 0.02 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1kgp h GLU 7 CO -0.13 0.66 0.36 -0.92 -0.73 0.00 0.00 179.01 178.25 1kgp h TYR 8 N 0.46 0.69 -0.62 0.92 3.20 -1.79 -1.66 116.97 118.17 1kgp h TYR 8 Ca 0.11 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 1kgp h TYR 8 Cb 0.34 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1kgp h TYR 8 CO 0.02 0.43 0.18 0.82 -1.64 0.00 0.00 178.16 177.97 1kgp h ILE 9 N 0.74 1.24 0.00 1.81 2.04 -1.16 -2.03 117.51 120.14 1kgp h ILE 9 Ca 0.20 -0.83 -0.07 0.00 1.00 0.00 0.00 64.86 65.16 1kgp h ILE 9 Cb -0.08 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1kgp h ILE 9 CO -0.05 0.32 -0.31 0.00 0.00 0.00 0.00 178.15 178.11 1kgp h ALA 10 N 1.28 1.13 -0.01 1.87 0.00 -0.77 -2.98 119.26 119.79 1kgp h ALA 10 Ca 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1kgp h ALA 10 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1kgp h ALA 10 CO -0.01 0.39 -0.34 0.09 0.00 0.00 0.00 179.25 179.39 1kgp n ASN 11 N -3.66 1.54 -3.56 0.00 5.03 -0.67 -4.48 115.26 109.46 1kgp n ASN 11 Ca -0.01 -1.22 -0.27 0.00 0.87 0.00 0.00 54.58 53.95 1kgp n ASN 11 Cb 0.43 0.28 -0.10 0.00 -1.02 0.00 0.00 39.78 39.36 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 -0.29 2.06 0.44 3.10 8.25 -0.81 -4.92 115.22 123.06 1kgp n HIS 12 Ca 0.11 -3.97 0.13 0.00 -0.26 0.00 0.00 57.72 53.73 1kgp n HIS 12 Cb 0.41 -0.40 0.32 0.00 1.12 0.00 0.00 29.99 31.44 1kgp n HIS 12 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1kgp h THR 13 N 3.72 0.00 -4.06 1.59 1.35 -1.79 -3.46 112.91 110.25 1kgp h THR 13 Ca 0.18 -0.68 -0.47 0.00 -0.55 0.00 0.00 66.41 64.88 1kgp h THR 13 Cb 0.77 1.67 0.03 0.00 -1.73 0.00 0.00 68.15 68.89 1kgp h THR 13 CO 0.65 0.00 0.39 -1.81 -0.25 0.00 0.00 175.52 174.50 1kgp s ASP 14 N -5.23 6.32 0.58 5.36 1.01 -1.26 -4.99 116.67 118.45 1kgp s ASP 14 Ca 0.09 1.96 -0.20 0.00 0.71 0.00 0.00 52.55 55.11 1kgp s ASP 14 Cb 0.09 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 1kgp s ASP 14 CO 0.62 -0.80 1.23 -2.84 0.21 0.00 0.00 175.17 173.59 1kgp s PRO 15 N -3.17 3.05 0.03 8.23 0.02 -1.26 -4.99 135.00 136.91 1kgp s PRO 15 Ca 0.67 1.90 -0.21 0.00 0.02 0.00 0.00 61.00 63.38 1kgp s PRO 15 Cb -0.17 -2.02 -0.06 0.00 0.02 0.00 0.00 34.50 32.26 1kgp s PRO 15 CO 0.21 -1.16 0.62 0.08 -0.33 0.00 0.00 177.00 176.42 1kgp s VAL 16 N -1.53 4.82 -0.06 3.83 1.01 -1.26 -5.05 120.40 122.15 1kgp s VAL 16 Ca 0.76 1.30 0.01 0.00 0.00 0.00 0.00 61.98 64.05 1kgp s VAL 16 Cb -0.32 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1kgp s VAL 16 CO 0.36 0.45 -0.08 -0.54 0.00 0.00 0.00 175.10 175.29 1kgp s LYS 17 N -0.46 2.70 0.18 2.72 1.02 -1.26 -5.11 119.74 119.53 1kgp s LYS 17 Ca 0.32 -0.58 -0.24 0.00 0.02 0.00 0.00 55.97 55.48 1kgp s LYS 17 Cb -0.19 -2.55 -0.08 0.00 -0.52 0.00 0.00 37.83 34.49 1kgp s LYS 17 CO 0.19 0.66 0.77 0.00 -0.92 0.00 0.00 175.35 176.04 1kgp s ALA 18 N -0.81 3.44 0.28 5.17 0.00 -1.26 -5.01 121.76 123.57 1kgp s ALA 18 Ca 0.13 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.12 1kgp s ALA 18 Cb -0.11 -2.93 -0.10 0.00 0.00 0.00 0.00 23.12 19.97 1kgp s ALA 18 CO 0.02 0.30 1.42 -1.50 0.00 0.00 0.00 175.76 175.99 1kgp s ILE 19 N -1.23 2.59 -0.29 0.00 2.07 -1.26 -4.98 121.20 118.10 1kgp s ILE 19 Ca 0.37 0.53 0.02 0.00 -1.41 0.00 0.00 60.65 60.16 1kgp s ILE 19 Cb -0.22 -3.34 0.07 0.00 0.13 0.00 0.00 42.46 39.11 1kgp s ILE 19 CO 0.25 0.10 -0.04 0.21 -1.91 0.00 0.00 174.94 173.55 1kgp s ASN 20 N 0.13 4.65 0.00 4.50 3.84 -1.26 -4.97 114.94 121.83 1kgp s ASN 20 Ca 0.57 -1.57 0.30 0.00 0.21 0.00 0.00 52.86 52.37 1kgp s ASN 20 Cb -0.42 -1.61 1.58 0.00 -0.55 0.00 0.00 41.25 40.25 1kgp s ASN 20 CO 0.47 -0.26 2.06 0.79 -2.79 0.00 0.00 177.10 177.37 1kgp n TRP 21 N 4.44 0.00 0.59 0.43 7.02 -1.26 -3.22 117.44 125.44 1kgp n TRP 21 Ca -0.09 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.52 1kgp n TRP 21 Cb 0.42 -0.10 0.37 0.00 -2.42 0.00 0.00 31.31 29.58 1kgp n TRP 21 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 1kgp h ASN 22 N 0.37 0.00 -3.48 -0.99 -1.24 -2.03 -3.41 115.58 104.81 1kgp h ASN 22 Ca 0.00 -0.01 -0.59 0.00 0.71 0.00 0.00 56.30 56.40 1kgp h ASN 22 Cb 0.20 0.00 -0.39 0.00 0.73 0.00 0.00 38.32 38.86 1kgp h ASN 22 CO 0.00 0.01 -0.77 -0.69 -1.29 0.00 0.00 177.43 174.69 1kgp s VAL 23 N -3.11 1.29 -0.41 2.57 1.01 -1.20 -5.10 120.40 115.46 1kgp s VAL 23 Ca 0.10 -1.26 -0.01 0.00 0.00 0.00 0.00 61.98 60.81 1kgp s VAL 23 Cb 0.12 -1.73 0.11 0.00 0.00 0.00 0.00 36.38 34.88 1kgp s VAL 23 CO 0.61 -0.29 0.18 -0.63 0.00 0.00 0.00 175.10 174.97 1kgp s ILE 24 N 1.47 3.05 0.26 2.22 -1.09 -1.26 -4.84 121.20 121.00 1kgp s ILE 24 Ca -0.00 -2.21 0.37 0.00 -2.23 0.00 0.00 60.65 56.57 1kgp s ILE 24 Cb -0.18 -3.12 0.40 0.00 -1.58 0.00 0.00 42.46 37.98 1kgp s ILE 24 CO -0.11 -0.68 2.10 1.55 -1.23 0.00 0.00 174.94 176.57 1kgp h PRO 25 N 7.84 0.00 -3.81 2.79 0.13 -1.99 -3.38 132.00 133.59 1kgp h PRO 25 Ca -0.10 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.46 1kgp h PRO 25 Cb 1.03 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.77 1kgp h PRO 25 CO 0.66 0.00 -0.77 0.34 -0.23 0.00 0.00 178.00 178.00 1kgp s ASP 26 N -5.37 3.61 0.54 1.44 -1.08 -1.26 -5.01 116.67 109.54 1kgp s ASP 26 Ca -0.01 -1.24 0.26 0.00 -0.52 0.00 0.00 52.55 51.05 1kgp s ASP 26 Cb 0.10 -0.88 1.43 0.00 -1.46 0.00 0.00 42.92 42.11 1kgp s ASP 26 CO 0.48 -0.33 1.98 -0.33 0.52 0.00 0.00 175.17 177.49 1kgp h GLU 27 N 8.09 0.00 -0.89 4.34 5.08 -2.03 -2.08 114.58 127.09 1kgp h GLU 27 Ca -0.15 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1kgp h GLU 27 Cb 1.07 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 1kgp h GLU 27 CO 0.41 0.00 0.58 -0.22 -1.00 0.00 0.00 179.01 178.78 1kgp h LYS 28 N 0.00 1.06 -0.45 2.33 1.63 -1.96 -2.07 116.57 117.12 1kgp h LYS 28 Ca 0.25 -0.06 0.03 0.00 -0.85 0.00 0.00 60.65 60.02 1kgp h LYS 28 Cb 1.06 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 32.42 1kgp h LYS 28 CO -0.00 0.70 0.25 -0.44 -3.45 0.00 0.00 179.45 176.51 1kgp h ASP 29 N 1.09 0.39 -0.44 4.20 3.32 -1.77 -0.35 116.42 122.86 1kgp h ASP 29 Ca 0.36 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.29 1kgp h ASP 29 Cb 0.05 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1kgp h ASP 29 CO -0.11 0.28 -0.21 0.25 -1.72 0.00 0.00 179.24 177.73 1kgp h LEU 30 N 0.50 0.97 -0.72 1.55 5.85 -1.58 -1.08 115.31 120.80 1kgp h LEU 30 Ca 0.18 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1kgp h LEU 30 Cb 0.04 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1kgp h LEU 30 CO -0.10 1.13 0.40 -0.33 -0.34 0.00 0.00 178.44 179.20 1kgp h GLU 31 N 0.82 1.00 -0.08 1.25 5.08 -1.10 -0.89 114.58 120.66 1kgp h GLU 31 Ca 0.11 -0.11 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1kgp h GLU 31 Cb 0.77 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.83 1kgp h GLU 31 CO 0.06 0.74 -0.69 0.28 -1.00 0.00 0.00 179.01 178.40 1kgp h VAL 32 N 0.99 1.34 -0.52 3.13 2.07 -0.98 -2.11 116.25 120.17 1kgp h VAL 32 Ca 0.25 -1.99 0.07 0.00 0.82 0.00 0.00 66.70 65.86 1kgp h VAL 32 Cb 0.03 2.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.99 1kgp h VAL 32 CO -0.04 0.61 0.20 -0.25 0.02 0.00 0.00 177.57 178.10 1kgp h TRP 33 N 0.24 0.35 -0.48 1.57 2.91 -1.05 0.18 115.95 119.67 1kgp h TRP 33 Ca -0.06 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 59.94 1kgp h TRP 33 Cb 1.35 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.90 1kgp h TRP 33 CO 0.11 0.12 0.15 -0.44 -1.03 0.00 0.00 178.44 177.35 1kgp h ASP 34 N 0.38 0.69 0.08 2.65 3.32 -1.16 -1.32 116.42 121.06 1kgp h ASP 34 Ca 0.25 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1kgp h ASP 34 Cb 0.26 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1kgp h ASP 34 CO -0.24 0.71 -0.05 -0.09 -1.72 0.00 0.00 179.24 177.85 1kgp h ARG 35 N 0.64 -0.12 -0.20 3.56 9.65 -0.86 0.49 114.38 127.53 1kgp h ARG 35 Ca 0.15 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.00 1kgp h ARG 35 Cb 0.26 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 1kgp h ARG 35 CO -0.01 -0.08 -0.04 -0.07 2.80 0.00 0.00 179.97 182.58 1kgp h LEU 36 N -0.13 0.37 -0.94 3.80 3.38 -0.56 -2.28 115.31 118.95 1kgp h LEU 36 Ca -0.01 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.51 1kgp h LEU 36 Cb 0.10 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1kgp h LEU 36 CO 0.01 0.64 -0.32 0.71 0.09 0.00 0.00 178.44 179.56 1kgp h THR 37 N 0.10 1.28 0.00 0.22 1.35 -1.27 -2.15 112.91 112.45 1kgp h THR 37 Ca 0.05 -1.37 -0.02 0.00 -0.55 0.00 0.00 66.41 64.53 1kgp h THR 37 Cb 0.47 1.50 -0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1kgp h THR 37 CO 0.02 0.42 -0.08 1.23 -0.25 0.00 0.00 175.52 176.86 1kgp h GLY 38 N 1.08 0.00 -3.03 5.82 0.00 -0.80 -2.61 103.07 103.54 1kgp h GLY 38 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1kgp h GLY 38 CO 0.06 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.30 1kgp n ASN 39 N -3.27 4.69 -4.72 0.19 3.02 -0.82 -5.00 115.26 109.36 1kgp n ASN 39 Ca -0.00 -2.50 -0.43 0.00 -0.03 0.00 0.00 54.58 51.62 1kgp n ASN 39 Cb 0.29 -0.59 -0.01 0.00 -0.61 0.00 0.00 39.78 38.86 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 0.97 2.51 -3.67 3.10 7.35 -0.99 -5.01 117.46 121.72 1kgp n PHE 40 Ca 0.25 0.46 -0.10 0.00 -0.76 0.00 0.00 57.45 57.29 1kgp n PHE 40 Cb 0.90 -2.48 -0.04 0.00 0.35 0.00 0.00 39.48 38.21 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 -0.71 -0.17 0.02 -5.13 1.48 -1.26 -5.13 118.94 108.05 1kgp s TRP 41 Ca 0.59 -0.15 0.03 0.00 -1.06 0.00 0.00 56.10 55.51 1kgp s TRP 41 Cb -0.55 0.33 -0.02 0.00 -1.16 0.00 0.00 33.47 32.08 1kgp s TRP 41 CO 0.58 -0.81 -0.10 -0.51 -4.06 0.00 0.00 176.95 172.04 1kgp s LEU 42 N -2.84 2.13 0.54 -4.66 1.43 -1.26 -5.05 118.68 108.98 1kgp s LEU 42 Ca 0.06 -0.36 0.23 0.00 -1.03 0.00 0.00 54.13 53.04 1kgp s LEU 42 Cb 0.00 -0.40 1.42 0.00 0.03 0.00 0.00 46.19 47.25 1kgp s LEU 42 CO -0.07 -0.01 2.07 1.55 0.23 0.00 0.00 176.35 180.12 1kgp h PRO 43 N 5.20 0.00 0.00 1.29 0.13 -1.96 -1.47 132.00 135.20 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 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1kgp h PRO 43 CO 0.45 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.15 1kgp h GLU 44 N 0.00 0.00 0.00 0.86 3.07 -1.99 -1.99 114.58 114.53 1kgp h GLU 44 Ca 0.13 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.97 1kgp h GLU 44 Cb 0.57 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1kgp h GLU 44 CO -0.00 0.00 -0.09 0.87 -1.40 0.00 0.00 179.01 178.39 1kgp h LYS 45 N 0.00 0.00 -5.29 2.33 1.57 -1.70 -3.44 116.57 110.05 1kgp h LYS 45 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 1kgp h LYS 45 Cb 0.08 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.27 1kgp h LYS 45 CO 0.00 0.09 -0.49 0.42 -0.57 0.00 0.00 179.45 178.90 1kgp s ILE 46 N -3.30 5.41 -1.33 1.86 1.09 -0.75 -5.01 121.20 119.17 1kgp s ILE 46 Ca 0.05 0.20 -0.16 0.00 -1.10 0.00 0.00 60.65 59.64 1kgp s ILE 46 Cb 0.07 -3.47 0.01 0.00 -1.06 0.00 0.00 42.46 38.00 1kgp s ILE 46 CO 0.65 0.45 2.13 -0.81 -0.10 0.00 0.00 174.94 177.26 1kgp n PRO 47 N 3.47 2.64 0.02 2.79 -0.04 -1.26 -4.76 135.00 137.86 1kgp n PRO 47 Ca -0.16 -2.54 0.16 0.00 -0.04 0.00 0.00 63.50 60.93 1kgp n PRO 47 Cb 0.52 -3.26 0.64 0.00 -0.04 0.00 0.00 33.50 31.36 1kgp n PRO 47 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1kgp h VAL 48 N 4.26 0.81 -0.04 0.52 2.07 -1.89 -1.72 116.25 120.25 1kgp h VAL 48 Ca 0.53 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 68.03 1kgp h VAL 48 Cb 0.67 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1kgp h VAL 48 CO 1.85 0.02 0.07 0.77 0.02 0.00 0.00 177.57 180.29 1kgp h SER 49 N 0.09 0.00 0.13 0.57 4.64 -1.93 -0.63 113.55 116.43 1kgp h SER 49 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1kgp h SER 49 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1kgp h SER 49 CO -0.02 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.53 1kgp n ASN 50 N -3.62 0.00 -0.46 4.97 3.02 -0.65 -2.47 115.26 116.05 1kgp n ASN 50 Ca -0.02 -0.38 0.12 0.00 -0.03 0.00 0.00 54.58 54.27 1kgp n ASN 50 Cb 0.15 -0.11 0.16 0.00 -0.61 0.00 0.00 39.78 39.37 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 -1.11 1.76 -0.13 6.41 8.00 -0.24 -4.52 116.55 126.72 1kgp n ASP 51 Ca 0.13 -1.36 -0.04 0.00 0.71 0.00 0.00 54.79 54.23 1kgp n ASP 51 Cb 0.10 0.30 0.03 0.00 -0.02 0.00 0.00 41.12 41.53 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 2.23 0.65 -0.22 0.53 2.04 -1.64 0.17 117.51 121.27 1kgp h ILE 52 Ca 0.00 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1kgp h ILE 52 Cb 0.68 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1kgp h ILE 52 CO 0.00 0.01 0.10 1.56 0.00 0.00 0.00 178.15 179.82 1kgp h GLN 53 N 0.08 0.21 -0.30 2.37 4.20 -1.84 0.19 115.11 120.01 1kgp h GLN 53 Ca 0.21 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.94 1kgp h GLN 53 Cb 0.31 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1kgp h GLN 53 CO -0.37 0.14 0.11 1.03 -0.67 0.00 0.00 178.83 179.07 1kgp h SER 54 N 0.22 0.13 -0.33 1.46 0.87 -1.72 -2.60 113.55 111.58 1kgp h SER 54 Ca 0.09 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1kgp h SER 54 Cb 0.04 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1kgp h SER 54 CO -0.08 0.11 0.17 -0.25 -0.53 0.00 0.00 176.83 176.26 1kgp h TRP 55 N 0.25 0.32 0.00 2.24 2.91 -0.17 -1.96 115.95 119.55 1kgp h TRP 55 Ca 0.13 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.17 1kgp h TRP 55 Cb 0.10 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 28.65 1kgp h TRP 55 CO -0.13 0.18 -0.01 -0.91 -1.03 0.00 0.00 178.44 176.55 1kgp h ASN 56 N 0.36 0.00 1.44 2.65 2.35 -0.78 -1.65 115.58 119.95 1kgp h ASN 56 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1kgp h ASN 56 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1kgp h ASN 56 CO -0.08 0.01 -0.30 0.11 -1.65 0.00 0.00 177.43 175.52 1kgp h LYS 57 N 0.00 0.00 -7.09 0.81 1.57 -0.97 -3.46 116.57 107.42 1kgp h LYS 57 Ca -0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1kgp h LYS 57 Cb 0.18 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.55 1kgp h LYS 57 CO 0.00 0.00 0.41 -1.64 -0.57 0.00 0.00 179.45 177.65 1kgp s MET 58 N -3.19 3.45 0.78 3.15 -1.94 -0.62 -5.03 119.30 115.90 1kgp s MET 58 Ca 0.07 1.50 -0.11 0.00 -1.71 0.00 0.00 55.69 55.44 1kgp s MET 58 Cb 0.10 -2.03 0.06 0.00 2.01 0.00 0.00 34.83 34.97 1kgp s MET 58 CO 0.68 -0.75 1.08 0.95 -0.01 0.00 0.00 175.02 176.97 1kgp s THR 59 N -1.90 3.32 0.34 2.05 -4.23 -1.26 -4.82 115.64 109.14 1kgp s THR 59 Ca 0.70 0.43 0.02 0.00 -1.18 0.00 0.00 61.69 61.67 1kgp s THR 59 Cb -0.21 -3.06 0.27 0.00 1.34 0.00 0.00 72.50 70.84 1kgp s THR 59 CO 0.26 -0.56 1.98 -0.65 -0.54 0.00 0.00 174.62 175.12 1kgp h PRO 60 N -1.09 0.86 -0.41 3.99 0.11 -1.98 -0.78 132.00 132.69 1kgp h PRO 60 Ca -0.46 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1kgp h PRO 60 Cb 1.25 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1kgp h PRO 60 CO 0.56 0.57 0.01 1.96 -0.21 0.00 0.00 178.00 180.89 1kgp h GLN 61 N 0.88 0.72 -0.50 1.05 4.20 -1.99 -0.97 115.11 118.50 1kgp h GLN 61 Ca 0.28 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1kgp h GLN 61 Cb 0.01 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1kgp h GLN 61 CO -0.07 0.80 0.15 0.93 -0.67 0.00 0.00 178.83 179.96 1kgp h GLU 62 N 0.56 0.78 -0.67 1.46 5.08 -1.77 -1.44 114.58 118.59 1kgp h GLU 62 Ca 0.12 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1kgp h GLU 62 Cb 0.46 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1kgp h GLU 62 CO 0.02 0.74 0.22 1.96 -1.00 0.00 0.00 179.01 180.95 1kgp h GLN 63 N 0.68 1.03 -0.61 2.33 4.20 -1.05 -1.47 115.11 120.22 1kgp h GLN 63 Ca 0.16 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1kgp h GLN 63 Cb 0.29 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1kgp h GLN 63 CO -0.00 0.88 0.11 1.25 -0.67 0.00 0.00 178.83 180.40 1kgp h LEU 64 N 0.96 0.96 -0.64 1.46 5.85 -1.00 -1.11 115.31 121.78 1kgp h LEU 64 Ca 0.22 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1kgp h LEU 64 Cb 0.27 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1kgp h LEU 64 CO -0.01 0.97 0.21 0.00 -0.34 0.00 0.00 178.44 179.26 1kgp h ALA 65 N 1.02 0.84 -0.51 1.25 0.00 -1.12 -1.96 119.26 118.79 1kgp h ALA 65 Ca 0.18 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1kgp h ALA 65 Cb 0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1kgp h ALA 65 CO 0.01 0.51 0.17 1.15 0.00 0.00 0.00 179.25 181.09 1kgp h THR 66 N 0.92 1.23 -0.42 0.00 2.02 -0.92 -0.34 112.91 115.39 1kgp h THR 66 Ca 0.21 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 1kgp h THR 66 Cb 0.28 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1kgp h THR 66 CO -0.01 0.28 0.15 0.24 0.37 0.00 0.00 175.52 176.55 1kgp h MET 67 N 0.69 0.63 -0.24 6.66 2.07 -1.05 -2.02 114.93 121.68 1kgp h MET 67 Ca 0.17 -0.13 -0.04 0.00 -2.07 0.00 0.00 59.70 57.63 1kgp h MET 67 Cb 0.25 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 29.88 1kgp h MET 67 CO -0.01 0.61 0.00 0.00 1.07 0.00 0.00 176.91 178.58 1kgp h ARG 68 N 0.53 0.42 -0.67 1.72 3.08 -1.22 -1.52 114.38 116.72 1kgp h ARG 68 Ca 0.14 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1kgp h ARG 68 Cb 0.23 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1kgp h ARG 68 CO -0.01 0.59 0.23 -0.39 -1.07 0.00 0.00 179.97 179.32 1kgp h VAL 69 N 0.19 1.25 -0.18 2.04 -1.51 -1.01 -1.24 116.25 115.79 1kgp h VAL 69 Ca 0.07 -0.83 -0.08 0.00 -1.23 0.00 0.00 66.70 64.63 1kgp h VAL 69 Cb 0.40 0.53 -0.01 0.00 -2.13 0.00 0.00 31.29 30.08 1kgp h VAL 69 CO 0.01 0.32 -0.24 -0.26 -1.23 0.00 0.00 177.57 176.18 1kgp h PHE 70 N 0.96 0.36 -0.28 5.19 0.04 -1.33 -1.01 116.94 120.86 1kgp h PHE 70 Ca 0.22 -0.07 -0.15 0.00 2.80 0.00 0.00 57.97 60.77 1kgp h PHE 70 Cb 0.27 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 1kgp h PHE 70 CO 0.02 0.54 -0.44 1.15 -0.60 0.00 0.00 178.31 178.98 1kgp h THR 71 N 0.29 1.29 -0.69 -1.55 2.02 -0.98 -0.40 112.91 112.91 1kgp h THR 71 Ca 0.05 -1.63 -0.05 0.00 0.77 0.00 0.00 66.41 65.54 1kgp h THR 71 Cb 0.58 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 1kgp h THR 71 CO 0.04 0.53 0.22 1.23 0.37 0.00 0.00 175.52 177.91 1kgp h GLY 72 N 0.93 1.14 1.05 2.16 0.00 -0.80 -1.92 103.07 105.63 1kgp h GLY 72 Ca 0.04 -0.67 -0.08 0.00 0.00 0.00 0.00 47.33 46.62 1kgp h GLY 72 CO 0.09 0.63 0.07 1.41 0.00 0.00 0.00 176.54 178.74 1kgp h LEU 73 N 1.00 1.00 -0.67 3.11 3.38 -1.01 -2.35 115.31 119.77 1kgp h LEU 73 Ca 0.22 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1kgp h LEU 73 Cb 0.29 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1kgp h LEU 73 CO -0.01 1.03 0.44 0.74 0.09 0.00 0.00 178.44 180.72 1kgp h THR 74 N 0.94 1.16 -0.78 0.22 2.02 -0.80 -1.27 112.91 114.40 1kgp h THR 74 Ca 0.18 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1kgp h THR 74 Cb 0.47 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 1kgp h THR 74 CO 0.02 0.16 0.42 0.25 0.37 0.00 0.00 175.52 176.74 1kgp h LEU 75 N 0.89 0.98 -0.53 2.58 5.85 -1.15 -0.32 115.31 123.61 1kgp h LEU 75 Ca 0.25 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 1kgp h LEU 75 Cb -0.08 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 1kgp h LEU 75 CO -0.06 0.80 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.68 1kgp h LEU 76 N 1.08 1.00 -0.71 2.25 3.38 -0.93 -2.15 115.31 119.23 1kgp h LEU 76 Ca 0.27 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1kgp h LEU 76 Cb 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1kgp h LEU 76 CO -0.04 1.11 -0.12 0.44 0.09 0.00 0.00 178.44 179.92 1kgp h ASP 77 N 0.87 0.87 -0.21 -0.43 3.32 -0.99 -1.30 116.42 118.55 1kgp h ASP 77 Ca 0.14 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 56.92 1kgp h ASP 77 Cb 0.65 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1kgp h ASP 77 CO 0.05 1.00 0.12 0.74 -1.72 0.00 0.00 179.24 179.42 1kgp h THR 78 N 0.79 1.02 0.20 0.35 2.02 -0.91 0.17 112.91 116.55 1kgp h THR 78 Ca 0.13 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1kgp h THR 78 Cb 0.63 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1kgp h THR 78 CO 0.04 0.05 -0.10 0.40 0.37 0.00 0.00 175.52 176.27 1kgp h ILE 79 N 0.25 0.78 -0.64 3.11 1.08 -1.22 -1.62 117.51 119.25 1kgp h ILE 79 Ca 0.08 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.53 1kgp h ILE 79 Cb -0.00 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 1kgp h ILE 79 CO -0.04 0.00 0.33 -0.61 -0.69 0.00 0.00 178.15 177.14 1kgp h GLN 80 N -0.28 0.89 0.08 2.37 5.75 -1.09 0.15 115.11 122.99 1kgp h GLN 80 Ca -0.02 -0.11 -0.25 0.00 -0.15 0.00 0.00 58.65 58.12 1kgp h GLN 80 Cb 0.22 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.60 1kgp h GLN 80 CO 0.03 0.68 -1.13 0.78 -2.65 0.00 0.00 178.83 176.54 1kgp h GLY 81 N 0.97 0.30 0.00 2.39 0.00 -0.87 0.25 103.07 106.11 1kgp h GLY 81 Ca 0.23 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1kgp h GLY 81 CO -0.03 0.60 -0.94 -1.30 0.00 0.00 0.00 176.54 174.87 1kgp n THR 82 N -3.56 0.00 0.00 4.70 -2.24 -0.62 -4.69 114.28 107.86 1kgp n THR 82 Ca -0.07 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1kgp n THR 82 Cb 0.96 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 70.09 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 -1.49 0.00 0.02 2.28 0.31 0.33 -4.86 118.33 114.93 1kgp n VAL 83 Ca 0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.35 1kgp n VAL 83 Cb 0.30 -0.57 -0.00 0.00 -0.91 0.00 0.00 33.84 32.65 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 -0.06 0.25 2.92 0.00 -0.84 -2.07 103.07 103.28 1kgp h GLY 84 Ca 0.00 0.02 0.14 0.00 0.00 0.00 0.00 47.33 47.49 1kgp h GLY 84 CO 0.00 -0.02 0.42 0.00 0.00 0.00 0.00 176.54 176.94 1kgp h ALA 85 N -1.97 1.23 -0.78 3.60 0.00 -1.23 -1.08 119.26 119.04 1kgp h ALA 85 Ca -0.01 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1kgp h ALA 85 Cb 0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1kgp h ALA 85 CO 0.01 -0.08 0.37 0.82 0.00 0.00 0.00 179.25 180.36 1kgp h ILE 86 N 0.62 1.24 0.00 0.00 2.04 -1.80 -1.62 117.51 118.00 1kgp h ILE 86 Ca 0.45 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1kgp h ILE 86 Cb 0.61 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1kgp h ILE 86 CO -0.35 0.29 0.00 0.77 0.00 0.00 0.00 178.15 178.86 1kgp h SER 87 N 1.10 0.00 1.74 1.72 4.64 -0.44 -2.50 113.55 119.81 1kgp h SER 87 Ca 0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 1kgp h SER 87 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1kgp h SER 87 CO -0.03 0.00 -0.27 -0.07 -0.87 0.00 0.00 176.83 175.59 1kgp h LEU 88 N 0.00 0.00 -0.19 5.97 3.38 -1.16 -3.39 115.31 119.93 1kgp h LEU 88 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1kgp h LEU 88 Cb 0.23 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1kgp h LEU 88 CO 0.00 0.09 -0.25 -0.07 0.09 0.00 0.00 178.44 178.30 1kgp h LEU 89 N 0.00 -0.78 0.00 1.67 -0.00 -1.45 -2.62 115.31 112.13 1kgp h LEU 89 Ca -0.01 0.13 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 1kgp h LEU 89 Cb 1.07 0.36 0.00 0.00 -0.00 0.00 0.00 40.66 42.09 1kgp h LEU 89 CO 0.01 -0.29 0.00 -0.81 -0.00 0.00 0.00 178.44 177.35 1kgp n PRO 90 N -5.38 0.00 -0.19 1.13 -0.04 -1.26 -2.11 135.00 127.16 1kgp n PRO 90 Ca -0.02 0.39 0.08 0.00 -0.04 0.00 0.00 63.50 63.91 1kgp n PRO 90 Cb 0.29 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.43 1kgp n PRO 90 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1kgp n ASP 91 N -1.50 3.06 -4.76 3.54 8.00 -0.99 -5.02 116.55 118.88 1kgp n ASP 91 Ca 0.02 -1.91 -0.38 0.00 0.71 0.00 0.00 54.79 53.22 1kgp n ASP 91 Cb 0.07 -0.25 0.02 0.00 -0.02 0.00 0.00 41.12 40.95 1kgp n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kgp s ALA 92 N -1.08 2.92 -0.18 2.24 0.00 -0.90 -4.95 121.76 119.81 1kgp s ALA 92 Ca 0.29 1.24 0.19 0.00 0.00 0.00 0.00 51.96 53.68 1kgp s ALA 92 Cb 0.16 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1kgp s ALA 92 CO 0.22 -1.15 0.98 0.93 0.00 0.00 0.00 175.76 176.74 1kgp h GLU 93 N 1.75 0.00 -4.46 0.00 4.39 -1.94 -3.47 114.58 110.84 1kgp h GLU 93 Ca -0.50 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.00 1kgp h GLU 93 Cb 1.28 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.77 1kgp h GLU 93 CO 0.59 0.16 -0.70 0.95 -1.16 0.00 0.00 179.01 178.85 1kgp s THR 94 N -3.13 0.48 0.16 1.13 -4.23 -1.26 -5.03 115.64 103.77 1kgp s THR 94 Ca -0.01 -1.71 0.21 0.00 -1.18 0.00 0.00 61.69 59.00 1kgp s THR 94 Cb 0.09 -1.39 0.18 0.00 1.34 0.00 0.00 72.50 72.72 1kgp s THR 94 CO 0.79 -0.83 1.79 0.24 -0.54 0.00 0.00 174.62 176.07 1kgp h MET 95 N 3.34 0.00 -0.05 3.99 2.86 -2.00 -2.64 114.93 120.43 1kgp h MET 95 Ca -0.35 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.16 1kgp h MET 95 Cb 1.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 1kgp h MET 95 CO 0.60 0.30 -0.57 0.45 1.06 0.00 0.00 176.91 178.76 1kgp h HIS 96 N 0.00 0.18 -0.55 -0.22 3.86 -1.96 -2.42 115.15 114.04 1kgp h HIS 96 Ca -0.00 -0.07 -0.08 0.00 -1.16 0.00 0.00 60.37 59.06 1kgp h HIS 96 Cb 0.81 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.22 1kgp h HIS 96 CO 0.00 0.68 0.01 1.49 0.86 0.00 0.00 177.93 180.97 1kgp h GLU 97 N 0.11 0.94 -0.79 2.45 4.81 -1.84 -1.97 114.58 118.29 1kgp h GLU 97 Ca -0.00 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 58.91 1kgp h GLU 97 Cb 1.03 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 1kgp h GLU 97 CO 0.08 0.93 0.33 0.93 -0.73 0.00 0.00 179.01 180.55 1kgp h GLU 98 N 0.87 1.17 -0.78 1.92 5.08 -1.36 -1.68 114.58 119.81 1kgp h GLU 98 Ca 0.16 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1kgp h GLU 98 Cb 0.50 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1kgp h GLU 98 CO 0.02 0.93 0.43 0.00 -1.00 0.00 0.00 179.01 179.39 1kgp h ALA 99 N 1.21 1.00 -0.57 3.43 0.00 -1.08 -2.50 119.26 120.75 1kgp h ALA 99 Ca 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1kgp h ALA 99 Cb 0.19 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1kgp h ALA 99 CO -0.02 0.51 0.29 0.28 0.00 0.00 0.00 179.25 180.31 1kgp h VAL 100 N 1.08 1.20 -0.37 0.00 2.07 -0.85 -2.57 116.25 116.81 1kgp h VAL 100 Ca 0.27 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1kgp h VAL 100 Cb 0.04 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1kgp h VAL 100 CO -0.04 0.22 0.23 1.88 0.02 0.00 0.00 177.57 179.88 1kgp h TYR 101 N 0.77 0.48 -0.21 1.57 0.05 -1.00 0.25 116.97 118.87 1kgp h TYR 101 Ca 0.20 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.89 1kgp h TYR 101 Cb 0.09 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 1kgp h TYR 101 CO -0.01 0.32 -0.27 1.79 -1.05 0.00 0.00 178.16 178.94 1kgp h THR 102 N 0.51 1.26 -0.25 -2.88 1.35 -1.06 -0.01 112.91 111.83 1kgp h THR 102 Ca 0.14 -1.27 -0.14 0.00 -0.55 0.00 0.00 66.41 64.59 1kgp h THR 102 Cb -0.03 1.40 -0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1kgp h THR 102 CO -0.03 0.40 -0.41 -1.13 -0.25 0.00 0.00 175.52 174.10 1kgp h ASN 103 N 0.36 0.80 -0.57 5.36 -0.73 -0.99 -2.49 115.58 117.32 1kgp h ASN 103 Ca 0.05 -0.52 0.02 0.00 1.87 0.00 0.00 56.30 57.72 1kgp h ASN 103 Cb 0.67 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.99 1kgp h ASN 103 CO 0.05 1.17 0.36 0.40 -0.37 0.00 0.00 177.43 179.04 1kgp h ILE 104 N 0.46 1.10 -0.46 2.57 2.04 -0.60 -0.77 117.51 121.85 1kgp h ILE 104 Ca 0.02 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.65 1kgp h ILE 104 Cb 1.00 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1kgp h ILE 104 CO 0.09 0.13 0.28 0.00 0.00 0.00 0.00 178.15 178.66 1kgp h ALA 105 N 1.23 0.58 -0.38 1.87 0.00 -0.96 -1.57 119.26 120.03 1kgp h ALA 105 Ca 0.22 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1kgp h ALA 105 Cb -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1kgp h ALA 105 CO -0.07 -0.02 0.09 0.35 0.00 0.00 0.00 179.25 179.59 1kgp h PHE 106 N 0.57 0.65 -0.01 0.00 3.57 -1.16 -2.67 116.94 117.89 1kgp h PHE 106 Ca 0.18 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1kgp h PHE 106 Cb -0.01 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1kgp h PHE 106 CO -0.06 0.64 -0.27 0.52 -2.23 0.00 0.00 178.31 176.91 1kgp h MET 107 N 0.48 0.01 -0.68 1.11 2.86 -0.87 -1.18 114.93 116.65 1kgp h MET 107 Ca 0.12 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1kgp h MET 107 Cb 0.32 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1kgp h MET 107 CO 0.00 0.28 0.32 0.93 1.06 0.00 0.00 176.91 179.50 1kgp h GLU 108 N 0.01 0.99 -0.63 1.72 4.39 -1.10 0.16 114.58 120.12 1kgp h GLU 108 Ca -0.00 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.48 1kgp h GLU 108 Cb 0.49 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1kgp h GLU 108 CO 0.04 0.79 0.14 0.77 -1.16 0.00 0.00 179.01 179.59 1kgp h SER 109 N 0.95 0.94 -0.80 1.42 0.02 -0.99 -0.60 113.55 114.49 1kgp h SER 109 Ca 0.23 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1kgp h SER 109 Cb 0.14 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 1kgp h SER 109 CO -0.03 0.91 0.38 0.58 -1.14 0.00 0.00 176.83 177.53 1kgp h VAL 110 N 0.95 1.25 0.14 2.27 2.07 -0.38 -0.96 116.25 121.60 1kgp h VAL 110 Ca 0.20 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1kgp h VAL 110 Cb 0.35 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1kgp h VAL 110 CO 0.00 0.30 -0.07 0.45 0.02 0.00 0.00 177.57 178.28 1kgp h HIS 111 N 1.14 -0.17 -0.64 1.57 -0.00 -0.04 -0.76 115.15 116.24 1kgp h HIS 111 Ca 0.27 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.70 1kgp h HIS 111 Cb 0.13 0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.55 1kgp h HIS 111 CO 0.01 -0.06 0.35 0.00 -0.00 0.00 0.00 177.93 178.23 1kgp h ALA 112 N 0.61 0.85 -0.18 2.45 0.00 -0.93 -1.25 119.26 120.81 1kgp h ALA 112 Ca -0.02 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1kgp h ALA 112 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1kgp h ALA 112 CO 0.03 0.03 -0.13 -0.22 0.00 0.00 0.00 179.25 178.96 1kgp h LYS 113 N 0.65 0.29 -0.41 0.00 3.64 -0.94 -2.90 116.57 116.90 1kgp h LYS 113 Ca 0.29 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1kgp h LYS 113 Cb 0.18 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1kgp h LYS 113 CO -0.18 0.43 0.27 0.77 -2.27 0.00 0.00 179.45 178.47 1kgp h SER 114 N 0.27 0.43 -0.35 4.20 0.02 0.11 -1.77 113.55 116.46 1kgp h SER 114 Ca 0.05 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 1kgp h SER 114 Cb 0.40 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1kgp h SER 114 CO 0.02 0.30 -0.21 1.88 -1.14 0.00 0.00 176.83 177.68 1kgp h TYR 115 N 0.50 0.95 -0.26 3.45 0.05 -1.42 -2.19 116.97 118.05 1kgp h TYR 115 Ca 0.16 -0.22 -0.10 0.00 0.05 0.00 0.00 58.73 58.62 1kgp h TYR 115 Cb 0.03 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 1kgp h TYR 115 CO -0.00 0.97 -0.28 0.77 -1.05 0.00 0.00 178.16 178.57 1kgp h SER 116 N 0.73 0.52 -0.41 3.88 0.02 -1.40 -1.12 113.55 115.76 1kgp h SER 116 Ca 0.10 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1kgp h SER 116 Cb 0.74 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1kgp h SER 116 CO 0.06 0.78 0.26 0.78 -1.14 0.00 0.00 176.83 177.56 1kgp h ASN 117 N 0.44 0.49 0.18 3.07 4.21 -1.08 0.89 115.58 123.78 1kgp h ASN 117 Ca 0.06 -0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.52 1kgp h ASN 117 Cb 0.72 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.79 1kgp h ASN 117 CO 0.05 0.39 -0.10 0.40 -1.29 0.00 0.00 177.43 176.88 1kgp h ILE 118 N 0.55 0.79 -0.27 2.81 2.04 -1.04 -2.21 117.51 120.17 1kgp h ILE 118 Ca 0.15 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.05 1kgp h ILE 118 Cb -0.02 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1kgp h ILE 118 CO -0.03 0.00 0.05 -0.26 0.00 0.00 0.00 178.15 177.91 1kgp h PHE 119 N -0.27 0.08 0.00 1.37 0.04 -1.02 0.20 116.94 117.34 1kgp h PHE 119 Ca -0.02 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1kgp h PHE 119 Cb 0.22 0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 1kgp h PHE 119 CO -0.08 0.01 -0.02 0.52 -0.60 0.00 0.00 178.31 178.15 1kgp h MET 120 N 0.14 0.00 0.09 1.51 2.86 -0.73 0.87 114.93 119.67 1kgp h MET 120 Ca 0.13 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.41 1kgp h MET 120 Cb 0.13 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1kgp h MET 120 CO -0.17 0.02 -2.02 2.41 1.06 0.00 0.00 176.91 178.20 1kgp n THR 121 N -3.25 1.72 -0.13 2.22 -1.04 -0.73 -4.73 114.28 108.34 1kgp n THR 121 Ca -0.02 -0.67 -0.21 0.00 -2.04 0.00 0.00 64.05 61.11 1kgp n THR 121 Cb 0.14 -1.58 -0.11 0.00 -1.82 0.00 0.00 70.33 66.96 1kgp n THR 121 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1kgp n LEU 122 N -3.38 2.67 -4.93 -4.42 4.77 -0.02 -4.97 117.00 106.72 1kgp n LEU 122 Ca -0.32 -0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.41 1kgp n LEU 122 Cb 1.04 -0.85 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1kgp n LEU 122 CO 0.41 0.82 0.44 0.00 -1.33 0.00 0.00 177.39 177.74 1kgp s ALA 123 N -2.50 3.48 0.51 -1.18 0.00 0.27 -5.01 121.76 117.33 1kgp s ALA 123 Ca -0.35 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 1kgp s ALA 123 Cb 0.10 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.77 1kgp s ALA 123 CO 0.55 -0.66 0.82 -1.54 0.00 0.00 0.00 175.76 174.92 1kgp s SER 124 N -4.28 6.06 0.20 0.00 1.04 -1.26 -4.77 113.70 110.69 1kgp s SER 124 Ca 0.52 0.85 -0.10 0.00 0.48 0.00 0.00 55.95 57.70 1kgp s SER 124 Cb -0.10 -2.07 0.23 0.00 0.10 0.00 0.00 66.02 64.17 1kgp s SER 124 CO 0.42 -0.72 1.78 0.74 0.98 0.00 0.00 173.24 176.44 1kgp h THR 125 N 0.11 0.89 -0.75 2.02 2.02 -1.98 -1.56 112.91 113.67 1kgp h THR 125 Ca -0.46 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 1kgp h THR 125 Cb 1.22 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1kgp h THR 125 CO 0.61 0.10 0.38 -0.65 0.37 0.00 0.00 175.52 176.33 1kgp h PRO 126 N 0.54 1.06 -0.05 6.66 0.11 -1.98 -0.07 132.00 138.27 1kgp h PRO 126 Ca 0.28 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1kgp h PRO 126 Cb 0.24 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 1kgp h PRO 126 CO -0.22 0.81 0.03 1.96 -0.21 0.00 0.00 178.00 180.38 1kgp h GLN 127 N 1.04 0.06 0.02 1.05 4.20 -1.84 0.17 115.11 119.81 1kgp h GLN 127 Ca 0.26 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.98 1kgp h GLN 127 Cb 0.09 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1kgp h GLN 127 CO -0.04 0.07 -0.12 0.82 -0.67 0.00 0.00 178.83 178.90 1kgp h ILE 128 N 0.04 0.71 -0.69 2.54 2.04 -1.02 -0.81 117.51 120.33 1kgp h ILE 128 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 1kgp h ILE 128 Cb 0.02 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 1kgp h ILE 128 CO -0.00 0.00 0.41 0.78 0.00 0.00 0.00 178.15 179.33 1kgp h ASN 129 N -0.21 0.63 -0.18 1.72 2.35 -0.78 -1.66 115.58 117.45 1kgp h ASN 129 Ca 0.04 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1kgp h ASN 129 Cb 0.25 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1kgp h ASN 129 CO -0.10 0.42 -0.05 -0.33 -1.65 0.00 0.00 177.43 175.72 1kgp h GLU 130 N 0.76 0.49 -0.05 0.81 5.08 -0.43 -2.28 114.58 118.97 1kgp h GLU 130 Ca 0.30 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1kgp h GLU 130 Cb 0.13 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1kgp h GLU 130 CO -0.15 0.56 -0.00 0.00 -1.00 0.00 0.00 179.01 178.41 1kgp h ALA 131 N 1.49 0.07 -0.36 3.43 0.00 -0.26 -0.93 119.26 122.69 1kgp h ALA 131 Ca 0.10 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1kgp h ALA 131 Cb 0.38 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1kgp h ALA 131 CO 0.02 -0.26 -0.05 0.74 0.00 0.00 0.00 179.25 179.70 1kgp h PHE 132 N -0.21 0.63 -0.30 0.00 0.04 -1.29 -2.05 116.94 113.76 1kgp h PHE 132 Ca 0.01 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 1kgp h PHE 132 Cb 0.34 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1kgp h PHE 132 CO 0.04 0.64 0.06 -0.09 -0.60 0.00 0.00 178.31 178.35 1kgp h ARG 133 N 0.55 0.49 -0.87 1.51 2.43 -1.30 -2.57 114.38 114.62 1kgp h ARG 133 Ca 0.11 -0.13 0.10 0.00 -0.81 0.00 0.00 59.98 59.25 1kgp h ARG 133 Cb 0.43 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.85 1kgp h ARG 133 CO 0.02 0.58 0.52 2.35 -1.51 0.00 0.00 179.97 181.93 1kgp h TRP 134 N 0.32 0.94 0.00 2.20 7.01 -0.88 -1.56 115.95 123.97 1kgp h TRP 134 Ca 0.09 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.07 1kgp h TRP 134 Cb 0.33 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1kgp h TRP 134 CO 0.02 0.39 -0.24 0.66 -2.79 0.00 0.00 178.44 176.47 1kgp h SER 135 N 0.86 0.00 1.03 2.65 4.64 -1.10 0.31 113.55 121.94 1kgp h SER 135 Ca 0.42 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.58 1kgp h SER 135 Cb 0.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1kgp h SER 135 CO -0.25 0.24 -0.78 -0.33 -0.87 0.00 0.00 176.83 174.85 1kgp h GLU 136 N 0.00 0.00 0.00 4.77 5.08 -0.92 -3.34 114.58 120.17 1kgp h GLU 136 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1kgp h GLU 136 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1kgp h GLU 136 CO 0.03 0.78 -1.13 0.39 -1.00 0.00 0.00 179.01 178.08 1kgp n GLU 137 N -3.41 0.16 -2.22 2.33 1.02 -0.76 -4.92 120.64 112.84 1kgp n GLU 137 Ca 0.00 -0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.68 1kgp n GLU 137 Cb 0.81 -1.52 -0.02 0.00 -0.02 0.00 0.00 31.44 30.68 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 -3.42 6.74 0.26 1.62 3.84 0.10 -4.90 114.94 119.17 1kgp s ASN 138 Ca 0.05 1.86 -0.04 0.00 0.21 0.00 0.00 52.86 54.94 1kgp s ASN 138 Cb 0.15 -2.54 0.32 0.00 -0.55 0.00 0.00 41.25 38.64 1kgp s ASN 138 CO 0.85 -0.92 1.84 -0.33 -2.79 0.00 0.00 177.10 175.75 1kgp h GLU 139 N 9.16 1.04 -0.15 0.43 4.39 -1.91 -1.98 114.58 125.55 1kgp h GLU 139 Ca -0.32 -0.16 -0.20 0.00 0.34 0.00 0.00 59.36 59.01 1kgp h GLU 139 Cb 1.14 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1kgp h GLU 139 CO 0.97 0.83 -0.72 -0.91 -1.16 0.00 0.00 179.01 178.02 1kgp h ASN 140 N 1.02 0.80 -0.25 1.42 4.21 -1.93 -1.37 115.58 119.49 1kgp h ASN 140 Ca 0.24 -0.51 -0.03 0.00 1.21 0.00 0.00 56.30 57.22 1kgp h ASN 140 Cb 0.16 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 1kgp h ASN 140 CO -0.02 1.29 0.05 0.25 -1.29 0.00 0.00 177.43 177.70 1kgp h LEU 141 N 0.48 0.39 -1.08 1.61 5.85 -1.90 -1.28 115.31 119.39 1kgp h LEU 141 Ca -0.03 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 1kgp h LEU 141 Cb 1.33 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1kgp h LEU 141 CO 0.14 0.54 0.01 1.56 -0.34 0.00 0.00 178.44 180.35 1kgp h GLN 142 N 0.22 0.66 -0.33 1.25 1.08 -1.37 -2.04 115.11 114.58 1kgp h GLN 142 Ca 0.08 -0.16 -0.10 0.00 -1.45 0.00 0.00 58.65 57.02 1kgp h GLN 142 Cb 0.31 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 1kgp h GLN 142 CO 0.00 0.67 -0.20 -0.09 -0.95 0.00 0.00 178.83 178.27 1kgp h ARG 143 N 0.62 0.71 -0.60 1.46 2.43 -0.93 -0.76 114.38 117.32 1kgp h ARG 143 Ca 0.13 -0.33 -0.08 0.00 -0.81 0.00 0.00 59.98 58.89 1kgp h ARG 143 Cb 0.38 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1kgp h ARG 143 CO 0.01 0.93 0.07 1.57 -1.51 0.00 0.00 179.97 181.04 1kgp h LYS 144 N 0.48 0.99 0.00 0.20 2.10 -1.02 -0.84 116.57 118.48 1kgp h LYS 144 Ca 0.07 -0.26 -0.00 0.00 -2.00 0.00 0.00 60.65 58.45 1kgp h LYS 144 Cb 0.74 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 1kgp h LYS 144 CO 0.06 0.93 -0.00 0.00 -2.00 0.00 0.00 179.45 178.43 1kgp h ALA 145 N 1.14 -0.00 0.00 0.07 0.00 -1.24 -2.65 119.26 116.57 1kgp h ALA 145 Ca 0.18 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1kgp h ALA 145 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1kgp h ALA 145 CO 0.02 -0.46 -0.36 0.87 0.00 0.00 0.00 179.25 179.32 1kgp h LYS 146 N -0.09 0.00 -0.21 0.00 1.57 -0.97 -1.19 116.57 115.68 1kgp h LYS 146 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1kgp h LYS 146 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1kgp h LYS 146 CO 0.00 0.36 0.00 0.82 -0.57 0.00 0.00 179.45 180.06 1kgp h ILE 147 N 0.00 1.25 -0.58 1.86 2.04 -1.02 -1.08 117.51 119.98 1kgp h ILE 147 Ca -0.00 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 64.93 1kgp h ILE 147 Cb 0.65 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1kgp h ILE 147 CO 0.05 0.27 0.19 0.40 0.00 0.00 0.00 178.15 179.05 1kgp h ILE 148 N 0.14 1.24 0.00 -0.67 1.08 -1.27 -2.67 117.51 115.36 1kgp h ILE 148 Ca 0.06 -0.81 -0.05 0.00 -0.39 0.00 0.00 64.86 63.67 1kgp h ILE 148 Cb 0.40 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 1kgp h ILE 148 CO 0.01 0.31 -0.24 0.24 -0.69 0.00 0.00 178.15 177.77 1kgp h MET 149 N 0.82 0.00 -0.22 2.37 2.86 -1.13 -1.84 114.93 117.79 1kgp h MET 149 Ca 0.19 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1kgp h MET 149 Cb 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1kgp h MET 149 CO -0.01 0.24 -0.01 0.66 1.06 0.00 0.00 176.91 178.85 1kgp h SER 150 N 0.00 0.30 0.24 1.22 4.64 -0.83 0.27 113.55 119.39 1kgp h SER 150 Ca -0.00 -0.04 -0.33 0.00 -0.47 0.00 0.00 61.79 60.94 1kgp h SER 150 Cb 0.49 -0.08 0.04 0.00 -0.31 0.00 0.00 62.40 62.54 1kgp h SER 150 CO 0.03 0.37 -1.44 1.88 -0.87 0.00 0.00 176.83 176.80 1kgp h TYR 151 N 0.32 0.99 -0.06 4.77 0.05 -1.32 -2.46 116.97 119.25 1kgp h TYR 151 Ca 0.07 -0.70 -0.01 0.00 0.05 0.00 0.00 58.73 58.14 1kgp h TYR 151 Cb 0.24 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 1kgp h TYR 151 CO 0.01 1.54 -0.02 1.88 -1.05 0.00 0.00 178.16 180.52 1kgp h TYR 152 N 0.17 0.08 -0.01 4.88 0.05 -1.09 -0.70 116.97 120.35 1kgp h TYR 152 Ca -0.24 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1kgp h TYR 152 Cb 2.12 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.84 1kgp h TYR 152 CO 0.13 0.11 -0.15 0.09 -1.05 0.00 0.00 178.16 177.29 1kgp n ASN 153 N -4.46 0.76 -2.03 3.88 3.02 0.05 -4.90 115.26 111.58 1kgp n ASN 153 Ca -0.02 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1kgp n ASN 153 Cb 0.13 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 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 1.28 -0.12 0.06 7.41 0.00 -0.27 -5.05 105.19 108.50 1kgp n GLY 154 Ca 0.14 -1.79 0.08 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.06 2.29 -4.26 1.61 5.75 -1.26 -4.94 116.55 113.67 1kgp n ASP 155 Ca 0.00 -2.89 -0.40 0.00 -0.01 0.00 0.00 54.79 51.49 1kgp n ASP 155 Cb 0.00 -0.35 -0.10 0.00 -1.03 0.00 0.00 41.12 39.63 1kgp n ASP 155 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1kgp s ASP 156 N -2.54 5.58 0.29 -1.12 -1.08 -1.26 -4.97 116.67 111.57 1kgp s ASP 156 Ca 0.26 -1.47 0.02 0.00 -0.52 0.00 0.00 52.55 50.84 1kgp s ASP 156 Cb 0.23 -1.97 0.58 0.00 -1.46 0.00 0.00 42.92 40.31 1kgp s ASP 156 CO 0.02 -0.51 1.83 1.55 0.52 0.00 0.00 175.17 178.59 1kgp h PRO 157 N 8.37 0.94 -0.39 4.34 0.13 -1.95 -2.00 132.00 141.43 1kgp h PRO 157 Ca -0.22 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 64.74 1kgp h PRO 157 Cb 1.08 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 1kgp h PRO 157 CO 0.73 0.62 -0.19 -0.07 -0.23 0.00 0.00 178.00 178.87 1kgp h LEU 158 N 0.97 0.75 -1.07 1.56 3.38 -1.98 -2.80 115.31 116.11 1kgp h LEU 158 Ca 0.51 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 58.13 1kgp h LEU 158 Cb 0.54 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1kgp h LEU 158 CO -0.28 0.93 -0.44 0.11 0.09 0.00 0.00 178.44 178.85 1kgp h LYS 159 N 0.66 0.05 -0.70 1.13 1.57 -1.77 -1.84 116.57 115.66 1kgp h LYS 159 Ca 0.10 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1kgp h LYS 159 Cb 0.68 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 1kgp h LYS 159 CO 0.05 0.48 0.18 0.87 -0.57 0.00 0.00 179.45 180.47 1kgp h LYS 160 N 0.05 1.12 -0.28 3.15 1.57 -1.22 0.37 116.57 121.32 1kgp h LYS 160 Ca 0.00 -0.26 -0.14 0.00 -1.87 0.00 0.00 60.65 58.38 1kgp h LYS 160 Cb 0.79 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1kgp h LYS 160 CO 0.06 0.98 -0.38 0.87 -0.57 0.00 0.00 179.45 180.41 1kgp h LYS 161 N 1.05 0.65 0.05 3.15 1.57 -1.22 -1.09 116.57 120.74 1kgp h LYS 161 Ca 0.22 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1kgp h LYS 161 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1kgp h LYS 161 CO 0.00 0.93 -0.02 0.28 -0.57 0.00 0.00 179.45 180.06 1kgp h VAL 162 N 0.54 1.11 -1.01 0.50 2.07 -1.01 -1.28 116.25 117.18 1kgp h VAL 162 Ca 0.05 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.07 1kgp h VAL 162 Cb 0.90 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 1kgp h VAL 162 CO 0.08 0.14 0.66 0.00 0.02 0.00 0.00 177.57 178.47 1kgp h ALA 163 N 0.63 1.35 -0.48 1.67 0.00 -0.87 -1.15 119.26 120.40 1kgp h ALA 163 Ca -0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1kgp h ALA 163 Cb 0.27 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1kgp h ALA 163 CO 0.01 0.55 -0.09 1.03 0.00 0.00 0.00 179.25 180.75 1kgp h SER 164 N 1.27 0.86 0.15 0.00 0.87 -1.09 -0.92 113.55 114.68 1kgp h SER 164 Ca 0.41 -0.26 -0.19 0.00 -1.23 0.00 0.00 61.79 60.52 1kgp h SER 164 Cb 0.02 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1kgp h SER 164 CO -0.13 0.97 -0.71 0.74 -0.53 0.00 0.00 176.83 177.17 1kgp h THR 165 N 0.79 1.35 -0.13 2.23 2.02 -0.76 -1.51 112.91 116.90 1kgp h THR 165 Ca 0.13 -2.05 -0.13 0.00 0.77 0.00 0.00 66.41 65.13 1kgp h THR 165 Cb 0.60 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 1kgp h THR 165 CO 0.04 0.63 -0.50 -0.07 0.37 0.00 0.00 175.52 175.98 1kgp h LEU 166 N 0.35 0.38 0.12 2.58 3.38 -1.09 0.86 115.31 121.88 1kgp h LEU 166 Ca -0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1kgp h LEU 166 Cb 1.29 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1kgp h LEU 166 CO 0.13 0.82 -0.06 0.25 0.09 0.00 0.00 178.44 179.67 1kgp h LEU 167 N 0.27 -0.13 -0.94 1.67 6.46 -1.01 -0.91 115.31 120.72 1kgp h LEU 167 Ca 0.01 -0.27 -0.10 0.00 -0.12 0.00 0.00 57.88 57.40 1kgp h LEU 167 Cb 0.98 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 1kgp h LEU 167 CO 0.08 0.21 -0.31 -0.33 -0.62 0.00 0.00 178.44 177.47 1kgp h GLU 168 N -0.49 0.40 -0.01 1.25 4.39 -1.16 -2.81 114.58 116.15 1kgp h GLU 168 Ca -0.02 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1kgp h GLU 168 Cb 0.40 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1kgp h GLU 168 CO 0.03 0.67 -0.43 0.43 -1.16 0.00 0.00 179.01 178.55 1kgp n SER 169 N -4.09 1.66 0.06 1.42 7.64 0.29 -4.74 113.62 115.86 1kgp n SER 169 Ca -0.01 -1.33 0.00 0.00 1.01 0.00 0.00 58.87 58.54 1kgp n SER 169 Cb 0.43 0.53 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 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 -0.23 -0.95 0.08 1.43 7.35 -0.45 -4.32 117.46 120.38 1kgp n PHE 170 Ca 0.07 0.17 0.11 0.00 -0.76 0.00 0.00 57.45 57.04 1kgp n PHE 170 Cb 0.37 0.41 0.59 0.00 0.35 0.00 0.00 39.48 41.21 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 0.00 0.15 -1.02 -2.13 3.38 -1.02 -1.94 115.31 112.73 1kgp h LEU 171 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1kgp h LEU 171 Cb 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1kgp h LEU 171 CO 0.00 0.10 -0.18 -0.26 0.09 0.00 0.00 178.44 178.19 1kgp h PHE 172 N 0.17 0.00 0.00 1.13 0.04 -1.83 -3.36 116.94 113.08 1kgp h PHE 172 Ca 0.14 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.86 1kgp h PHE 172 Cb 0.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1kgp h PHE 172 CO -0.00 0.18 -0.28 1.88 -0.60 0.00 0.00 178.31 179.48 1kgp h TYR 173 N 0.00 0.00 0.00 -0.55 0.05 -1.68 -1.44 116.97 113.35 1kgp h TYR 173 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1kgp h TYR 173 Cb 0.76 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.50 1kgp h TYR 173 CO 0.00 0.28 -0.13 0.66 -1.05 0.00 0.00 178.16 177.92 1kgp h SER 174 N 0.00 0.00 0.32 3.88 4.64 -1.76 -2.64 113.55 117.99 1kgp h SER 174 Ca -0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 1kgp h SER 174 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1kgp h SER 174 CO 0.04 0.13 -1.66 1.23 -0.87 0.00 0.00 176.83 175.70 1kgp h GLY 175 N 0.43 0.36 2.00 -0.77 0.00 -1.59 -3.35 103.07 100.16 1kgp h GLY 175 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.40 1kgp h GLY 175 CO 0.02 0.81 0.00 0.74 0.00 0.00 0.00 176.54 178.11 1kgp h PHE 176 N 0.09 0.00 -0.59 5.60 0.04 -0.97 -3.11 116.94 118.00 1kgp h PHE 176 Ca -0.30 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.46 1kgp h PHE 176 Cb 2.06 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 40.18 1kgp h PHE 176 CO 0.08 0.00 0.34 -0.92 -0.60 0.00 0.00 178.31 177.21 1kgp h TYR 177 N 0.00 0.79 0.46 -0.55 5.03 -1.62 -3.02 116.97 118.06 1kgp h TYR 177 Ca 0.00 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 1kgp h TYR 177 Cb 0.35 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.35 1kgp h TYR 177 CO 0.00 0.56 -0.49 1.25 -1.32 0.00 0.00 178.16 178.15 1kgp h LEU 178 N 0.79 -1.36 -1.58 2.82 6.46 -1.77 -0.20 115.31 120.48 1kgp h LEU 178 Ca 0.21 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 58.07 1kgp h LEU 178 Cb 0.01 0.45 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 1kgp h LEU 178 CO -0.04 -0.65 0.12 1.55 -0.62 0.00 0.00 178.44 178.80 1kgp h PRO 179 N -0.97 0.39 -0.34 5.25 0.13 -1.74 -1.14 132.00 133.59 1kgp h PRO 179 Ca -0.05 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 64.90 1kgp h PRO 179 Cb 0.85 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1kgp h PRO 179 CO -0.08 0.33 -0.34 0.52 -0.23 0.00 0.00 178.00 178.19 1kgp h MET 180 N 0.40 0.76 -0.03 0.86 2.86 -1.36 -0.41 114.93 118.01 1kgp h MET 180 Ca 0.10 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1kgp h MET 180 Cb 0.08 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 1kgp h MET 180 CO -0.01 0.99 -0.03 -0.92 1.06 0.00 0.00 176.91 178.00 1kgp h TYR 181 N 0.64 0.10 -1.00 -0.22 3.20 -0.73 -2.56 116.97 116.40 1kgp h TYR 181 Ca 0.06 -0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.02 1kgp h TYR 181 Cb 0.89 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 39.05 1kgp h TYR 181 CO 0.05 0.54 0.63 -0.07 -1.64 0.00 0.00 178.16 177.67 1kgp h LEU 182 N -0.37 0.94 -1.40 2.82 3.38 -1.17 -0.24 115.31 119.28 1kgp h LEU 182 Ca 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1kgp h LEU 182 Cb 0.52 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1kgp h LEU 182 CO 0.01 0.52 0.26 -1.28 0.09 0.00 0.00 178.44 178.04 1kgp h SER 183 N 1.03 0.59 0.90 -0.43 0.87 -1.00 0.61 113.55 116.11 1kgp h SER 183 Ca 0.48 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 1kgp h SER 183 Cb 0.43 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1kgp h SER 183 CO -0.25 0.49 0.00 -1.54 -0.53 0.00 0.00 176.83 175.00 1kgp n SER 184 N -4.41 0.61 -1.19 6.23 3.41 -0.13 -2.00 113.62 116.15 1kgp n SER 184 Ca 0.04 0.62 0.08 0.00 -0.26 0.00 0.00 58.87 59.35 1kgp n SER 184 Cb 0.10 -0.76 0.28 0.00 -0.26 0.00 0.00 64.21 63.58 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 -2.14 3.34 -2.72 4.33 5.12 -0.30 -4.95 116.66 119.35 1kgp n ARG 185 Ca 0.03 -2.67 -0.18 0.00 -1.93 0.00 0.00 57.85 53.11 1kgp n ARG 185 Cb 0.28 -1.73 0.02 0.00 -1.16 0.00 0.00 32.46 29.87 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 0.59 -0.70 -2.35 7.54 0.00 -0.85 -5.02 120.51 119.72 1kgp n ALA 186 Ca 0.21 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.56 1kgp n ALA 186 Cb 0.78 -2.86 -0.15 0.00 0.00 0.00 0.00 19.45 17.22 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 -5.29 1.83 -1.50 0.00 1.02 0.05 -4.74 119.74 111.11 1kgp s LYS 187 Ca 0.18 -1.10 -0.05 0.00 0.02 0.00 0.00 55.97 55.01 1kgp s LYS 187 Cb -0.08 -2.00 0.05 0.00 -0.52 0.00 0.00 37.83 35.28 1kgp s LYS 187 CO 0.22 0.52 0.50 1.28 -0.92 0.00 0.00 175.35 176.94 1kgp n LEU 188 N 1.78 -2.00 0.08 3.17 4.77 -1.26 -3.21 117.00 120.33 1kgp n LEU 188 Ca -0.17 -1.02 -0.00 0.00 -0.03 0.00 0.00 56.01 54.79 1kgp n LEU 188 Cb 0.52 -2.15 0.30 0.00 -2.33 0.00 0.00 43.42 39.76 1kgp n LEU 188 CO 0.23 0.40 0.81 0.71 -1.33 0.00 0.00 177.39 178.21 1kgp h THR 189 N -1.75 1.23 -0.04 -5.08 1.35 -1.91 -1.95 112.91 104.76 1kgp h THR 189 Ca -0.62 -1.05 -0.19 0.00 -0.55 0.00 0.00 66.41 63.99 1kgp h THR 189 Cb 1.38 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1kgp h THR 189 CO 0.67 0.33 -0.81 0.78 -0.25 0.00 0.00 175.52 176.25 1kgp h ASN 190 N 0.29 0.43 -0.53 5.36 4.21 -1.90 -2.78 115.58 120.66 1kgp h ASN 190 Ca 0.05 -0.31 -0.05 0.00 1.21 0.00 0.00 56.30 57.20 1kgp h ASN 190 Cb 0.53 -0.13 -0.03 0.00 -1.12 0.00 0.00 38.32 37.57 1kgp h ASN 190 CO 0.04 1.07 0.14 0.74 -1.29 0.00 0.00 177.43 178.12 1kgp h THR 191 N 0.22 1.23 0.00 2.81 2.02 -1.84 -1.86 112.91 115.49 1kgp h THR 191 Ca -0.04 -0.85 -0.04 0.00 0.77 0.00 0.00 66.41 66.25 1kgp h THR 191 Cb 1.40 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1kgp h THR 191 CO 0.13 0.32 -0.17 0.00 0.37 0.00 0.00 175.52 176.17 1kgp h ALA 192 N 1.29 1.71 -0.34 6.16 0.00 -1.15 -1.49 119.26 125.44 1kgp h ALA 192 Ca 0.19 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1kgp h ALA 192 Cb 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1kgp h ALA 192 CO -0.00 0.21 -0.24 -0.44 0.00 0.00 0.00 179.25 178.78 1kgp h ASP 193 N 0.00 0.68 -0.33 0.00 3.32 -1.07 0.64 116.42 119.66 1kgp h ASP 193 Ca -0.00 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 56.74 1kgp h ASP 193 Cb 0.30 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1kgp h ASP 193 CO 0.02 0.91 -0.05 0.40 -1.72 0.00 0.00 179.24 178.80 1kgp h ILE 194 N 0.59 1.27 -0.89 0.35 2.04 -1.12 -2.59 117.51 117.16 1kgp h ILE 194 Ca 0.08 -1.07 0.04 0.00 1.00 0.00 0.00 64.86 64.90 1kgp h ILE 194 Cb 0.73 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 1kgp h ILE 194 CO 0.06 0.35 0.58 0.40 0.00 0.00 0.00 178.15 179.54 1kgp h ILE 195 N 0.40 1.15 -0.40 -0.67 1.08 -0.72 -1.52 117.51 116.83 1kgp h ILE 195 Ca 0.09 -0.38 -0.09 0.00 -0.39 0.00 0.00 64.86 64.09 1kgp h ILE 195 Cb 0.53 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.21 1kgp h ILE 195 CO 0.03 0.20 -0.11 0.03 -0.69 0.00 0.00 178.15 177.61 1kgp h ARG 196 N 1.11 0.70 -0.39 2.37 3.08 -0.72 -0.23 114.38 120.30 1kgp h ARG 196 Ca 0.35 -0.22 -0.09 0.00 0.07 0.00 0.00 59.98 60.09 1kgp h ARG 196 Cb 0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1kgp h ARG 196 CO -0.11 0.79 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.39 1kgp h LEU 197 N 0.64 0.68 -0.29 3.04 3.38 -0.96 0.18 115.31 121.98 1kgp h LEU 197 Ca 0.11 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1kgp h LEU 197 Cb 0.56 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1kgp h LEU 197 CO 0.04 0.83 -0.05 0.40 0.09 0.00 0.00 178.44 179.74 1kgp h ILE 198 N 0.63 1.28 -0.61 1.22 2.04 -0.88 -2.68 117.51 118.50 1kgp h ILE 198 Ca 0.11 -1.06 -0.06 0.00 1.00 0.00 0.00 64.86 64.84 1kgp h ILE 198 Cb 0.57 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1kgp h ILE 198 CO 0.04 0.34 0.12 0.40 0.00 0.00 0.00 178.15 179.05 1kgp h ILE 199 N 0.31 1.25 -0.43 -0.67 2.04 -0.77 -0.24 117.51 119.00 1kgp h ILE 199 Ca 0.07 -0.93 0.02 0.00 1.00 0.00 0.00 64.86 65.02 1kgp h ILE 199 Cb 0.52 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1kgp h ILE 199 CO 0.03 0.35 0.29 -0.09 0.00 0.00 0.00 178.15 178.72 1kgp h ARG 200 N 0.92 0.50 0.02 2.37 2.43 -0.88 -0.64 114.38 119.10 1kgp h ARG 200 Ca 0.19 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1kgp h ARG 200 Cb 0.36 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1kgp h ARG 200 CO 0.00 0.33 -0.15 -0.44 -1.51 0.00 0.00 179.97 178.21 1kgp h ASP 201 N 0.52 0.10 -0.71 -3.80 3.32 -0.94 -3.31 116.42 111.61 1kgp h ASP 201 Ca 0.17 -0.91 0.03 0.00 0.02 0.00 0.00 57.03 56.34 1kgp h ASP 201 Cb 0.04 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1kgp h ASP 201 CO -0.04 1.01 0.47 -0.33 -1.72 0.00 0.00 179.24 178.62 1kgp h GLU 202 N -0.79 0.83 -0.62 3.56 4.39 -0.77 -0.54 114.58 120.65 1kgp h GLU 202 Ca -0.02 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.66 1kgp h GLU 202 Cb 1.04 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.46 1kgp h GLU 202 CO 0.03 0.55 0.37 1.03 -1.16 0.00 0.00 179.01 179.83 1kgp h SER 203 N 0.86 0.59 -0.07 1.42 0.87 -1.26 0.57 113.55 116.53 1kgp h SER 203 Ca 0.28 0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 60.65 1kgp h SER 203 Cb 0.06 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1kgp h SER 203 CO -0.08 0.41 -0.69 0.58 -0.53 0.00 0.00 176.83 176.52 1kgp h VAL 204 N 0.72 1.30 -0.24 2.23 2.07 -1.43 -2.15 116.25 118.75 1kgp h VAL 204 Ca 0.25 -1.93 -0.00 0.00 0.82 0.00 0.00 66.70 65.84 1kgp h VAL 204 Cb 0.06 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1kgp h VAL 204 CO -0.12 0.61 0.15 0.45 0.02 0.00 0.00 177.57 178.68 1kgp h HIS 205 N 0.50 0.32 -0.52 1.57 -0.00 -0.67 0.03 115.15 116.38 1kgp h HIS 205 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 1kgp h HIS 205 Cb 1.29 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 28.57 1kgp h HIS 205 CO 0.07 0.23 0.27 0.78 -0.00 0.00 0.00 177.93 179.28 1kgp h GLY 206 N 0.31 0.80 0.97 2.45 0.00 -0.91 -1.29 103.07 105.40 1kgp h GLY 206 Ca 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1kgp h GLY 206 CO -0.02 0.37 0.23 -1.82 0.00 0.00 0.00 176.54 175.30 1kgp h TYR 207 N 0.70 0.60 -0.02 5.60 3.20 -1.21 -2.20 116.97 123.65 1kgp h TYR 207 Ca 0.18 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1kgp h TYR 207 Cb 0.09 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 1kgp h TYR 207 CO -0.01 0.46 -0.02 -0.92 -1.64 0.00 0.00 178.16 176.04 1kgp h TYR 208 N 0.57 0.06 -0.43 -3.82 3.20 -0.79 -1.43 116.97 114.34 1kgp h TYR 208 Ca 0.15 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1kgp h TYR 208 Cb 0.06 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1kgp h TYR 208 CO -0.02 0.48 0.03 0.82 -1.64 0.00 0.00 178.16 177.83 1kgp h ILE 209 N -0.38 1.22 -0.54 1.81 2.04 -1.31 -1.50 117.51 118.85 1kgp h ILE 209 Ca 0.00 -0.85 -0.08 0.00 1.00 0.00 0.00 64.86 64.93 1kgp h ILE 209 Cb 0.47 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1kgp h ILE 209 CO 0.00 0.30 0.01 1.23 0.00 0.00 0.00 178.15 179.70 1kgp h GLY 210 N 0.91 1.01 0.85 5.37 0.00 -1.37 -0.87 103.07 108.97 1kgp h GLY 210 Ca 0.14 -0.74 0.03 0.00 0.00 0.00 0.00 47.33 46.76 1kgp h GLY 210 CO 0.01 0.68 0.43 -1.82 0.00 0.00 0.00 176.54 175.84 1kgp h TYR 211 N 0.82 0.81 -0.29 5.60 3.20 -0.77 -1.21 116.97 125.13 1kgp h TYR 211 Ca 0.15 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.94 1kgp h TYR 211 Cb 0.51 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1kgp h TYR 211 CO 0.04 0.46 -0.25 0.87 -1.64 0.00 0.00 178.16 177.63 1kgp h LYS 212 N 0.84 0.57 -0.19 1.82 1.79 -0.98 -2.14 116.57 118.28 1kgp h LYS 212 Ca 0.28 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1kgp h LYS 212 Cb 0.04 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 1kgp h LYS 212 CO -0.12 0.77 0.11 -0.92 -1.08 0.00 0.00 179.45 178.21 1kgp h TYR 213 N 0.50 0.26 -0.89 -1.35 3.20 -0.53 -2.23 116.97 115.92 1kgp h TYR 213 Ca 0.07 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1kgp h TYR 213 Cb 0.70 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 1kgp h TYR 213 CO 0.03 0.24 0.54 1.96 -1.64 0.00 0.00 178.16 179.29 1kgp h GLN 214 N 0.21 1.21 -0.56 1.82 4.20 -1.03 0.10 115.11 121.06 1kgp h GLN 214 Ca 0.07 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1kgp h GLN 214 Cb 0.07 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 1kgp h GLN 214 CO -0.01 0.84 0.15 1.96 -0.67 0.00 0.00 178.83 181.10 1kgp h GLN 215 N 1.23 0.85 0.07 1.46 4.20 -1.19 -1.48 115.11 120.26 1kgp h GLN 215 Ca 0.32 -0.17 -0.22 0.00 0.06 0.00 0.00 58.65 58.64 1kgp h GLN 215 Cb -0.06 -0.13 0.02 0.00 0.30 0.00 0.00 27.48 27.61 1kgp h GLN 215 CO -0.06 0.76 -0.89 0.78 -0.67 0.00 0.00 178.83 178.74 1kgp h GLY 216 N 0.98 0.54 2.00 3.46 0.00 -0.73 -3.31 103.07 106.01 1kgp h GLY 216 Ca 0.18 -1.08 -0.08 0.00 0.00 0.00 0.00 47.33 46.35 1kgp h GLY 216 CO -0.00 0.96 -0.38 -0.24 0.00 0.00 0.00 176.54 176.87 1kgp h VAL 217 N -0.00 1.25 0.00 4.60 3.04 -0.77 -2.70 116.25 121.67 1kgp h VAL 217 Ca -0.13 -1.31 0.00 0.00 -1.01 0.00 0.00 66.70 64.25 1kgp h VAL 217 Cb 1.62 1.71 0.00 0.00 -2.01 0.00 0.00 31.29 32.61 1kgp h VAL 217 CO 0.17 0.37 0.00 0.29 -1.01 0.00 0.00 177.57 177.39 1kgp n LYS 218 N -4.06 0.05 0.00 4.17 5.02 -0.56 -1.95 118.16 120.83 1kgp n LYS 218 Ca -0.02 0.19 0.13 0.00 -2.02 0.00 0.00 58.31 56.60 1kgp n LYS 218 Cb 0.42 -1.50 0.49 0.00 -0.02 0.00 0.00 35.03 34.41 1kgp n LYS 218 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1kgp n LYS 219 N -1.46 0.21 -3.04 1.97 5.02 -1.02 -4.90 118.16 114.94 1kgp n LYS 219 Ca 0.05 -0.07 -0.23 0.00 -2.02 0.00 0.00 58.31 56.04 1kgp n LYS 219 Cb 0.19 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.71 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 -2.84 3.70 0.91 -0.35 1.43 -0.82 -5.08 118.68 115.63 1kgp s LEU 220 Ca 0.17 0.30 -0.10 0.00 -1.03 0.00 0.00 54.13 53.47 1kgp s LEU 220 Cb 0.19 -3.18 0.14 0.00 0.03 0.00 0.00 46.19 43.37 1kgp s LEU 220 CO 0.57 -0.64 1.13 -0.94 0.23 0.00 0.00 176.35 176.70 1kgp s SER 221 N -4.19 3.07 0.27 2.29 1.04 -1.26 -4.72 113.70 110.19 1kgp s SER 221 Ca 0.47 2.07 -0.03 0.00 0.48 0.00 0.00 55.95 58.94 1kgp s SER 221 Cb -0.10 -2.54 0.38 0.00 0.10 0.00 0.00 66.02 63.86 1kgp s SER 221 CO 0.38 -2.99 1.91 -0.08 0.98 0.00 0.00 173.24 173.43 1kgp h GLU 222 N -1.79 1.19 -0.38 4.02 4.57 -1.97 -0.65 114.58 119.56 1kgp h GLU 222 Ca -0.44 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 57.65 1kgp h GLU 222 Cb 1.27 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 29.57 1kgp h GLU 222 CO 0.44 0.79 0.19 0.00 -1.18 0.00 0.00 179.01 179.24 1kgp h ALA 223 N 1.44 0.49 -0.44 2.92 0.00 -2.00 -1.78 119.26 119.89 1kgp h ALA 223 Ca 0.40 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1kgp h ALA 223 Cb 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1kgp h ALA 223 CO -0.13 0.04 0.18 0.93 0.00 0.00 0.00 179.25 180.26 1kgp h GLU 224 N 0.47 0.65 -0.70 0.00 5.08 -1.77 -2.39 114.58 115.92 1kgp h GLU 224 Ca 0.13 -0.12 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1kgp h GLU 224 Cb 0.10 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1kgp h GLU 224 CO -0.02 0.60 0.46 1.96 -1.00 0.00 0.00 179.01 181.02 1kgp h GLN 225 N 0.57 0.67 -0.33 2.33 4.20 -0.91 -0.88 115.11 120.75 1kgp h GLN 225 Ca 0.15 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 1kgp h GLN 225 Cb 0.19 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1kgp h GLN 225 CO -0.01 0.44 -0.19 0.93 -0.67 0.00 0.00 178.83 179.33 1kgp h GLU 226 N 0.69 0.61 -0.24 1.46 4.39 -0.84 -2.29 114.58 118.36 1kgp h GLU 226 Ca 0.31 -0.22 -0.16 0.00 0.34 0.00 0.00 59.36 59.63 1kgp h GLU 226 Cb 0.32 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1kgp h GLU 226 CO -0.10 0.77 -0.49 0.93 -1.16 0.00 0.00 179.01 178.95 1kgp h GLU 227 N 0.55 0.66 -0.12 2.33 5.08 -0.76 -1.62 114.58 120.69 1kgp h GLU 227 Ca 0.09 -0.38 -0.11 0.00 -1.00 0.00 0.00 59.36 57.95 1kgp h GLU 227 Cb 0.63 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1kgp h GLU 227 CO 0.04 1.00 -0.42 1.88 -1.00 0.00 0.00 179.01 180.52 1kgp h TYR 228 N 0.52 0.33 -0.33 4.33 0.05 -1.14 -0.54 116.97 120.17 1kgp h TYR 228 Ca 0.02 -0.09 -0.17 0.00 0.05 0.00 0.00 58.73 58.54 1kgp h TYR 228 Cb 1.04 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 38.71 1kgp h TYR 228 CO 0.05 0.66 -0.45 -0.22 -1.05 0.00 0.00 178.16 177.14 1kgp h LYS 229 N 0.23 0.89 -0.64 4.88 3.64 -1.29 -0.90 116.57 123.39 1kgp h LYS 229 Ca 0.02 -0.52 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1kgp h LYS 229 Cb 0.84 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1kgp h LYS 229 CO 0.07 1.16 0.34 0.00 -2.27 0.00 0.00 179.45 178.75 1kgp h ALA 230 N 0.72 0.83 -0.54 5.00 0.00 -1.06 -1.41 119.26 122.79 1kgp h ALA 230 Ca 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1kgp h ALA 230 Cb 1.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1kgp h ALA 230 CO 0.11 0.35 0.23 -0.92 0.00 0.00 0.00 179.25 179.02 1kgp h TYR 231 N 0.88 0.82 0.17 0.00 5.03 -0.92 -1.19 116.97 121.75 1kgp h TYR 231 Ca 0.23 -0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.48 1kgp h TYR 231 Cb 0.06 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.09 1kgp h TYR 231 CO -0.01 0.66 -0.11 1.15 -1.32 0.00 0.00 178.16 178.53 1kgp h THR 232 N 0.74 0.75 -0.65 1.81 2.02 -0.74 -0.42 112.91 116.42 1kgp h THR 232 Ca 0.18 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.31 1kgp h THR 232 Cb 0.18 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1kgp h THR 232 CO -0.02 0.00 0.21 -0.26 0.37 0.00 0.00 175.52 175.83 1kgp h PHE 233 N -0.28 1.01 -0.42 3.16 -1.00 -1.23 -0.96 116.94 117.22 1kgp h PHE 233 Ca -0.01 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 1kgp h PHE 233 Cb 0.24 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 1kgp h PHE 233 CO -0.10 0.80 0.23 0.22 -1.61 0.00 0.00 178.31 177.86 1kgp h ASP 234 N 0.95 0.52 -0.52 2.17 1.82 -0.96 -0.61 116.42 119.79 1kgp h ASP 234 Ca 0.21 -0.08 -0.05 0.00 -0.39 0.00 0.00 57.03 56.72 1kgp h ASP 234 Cb 0.26 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.11 1kgp h ASP 234 CO -0.01 0.45 0.14 0.25 -1.61 0.00 0.00 179.24 178.45 1kgp h LEU 235 N 0.54 0.83 -0.73 2.28 5.85 -0.72 -2.55 115.31 120.81 1kgp h LEU 235 Ca 0.15 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1kgp h LEU 235 Cb 0.04 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1kgp h LEU 235 CO -0.02 0.81 0.24 -0.03 -0.34 0.00 0.00 178.44 179.09 1kgp h MET 236 N 0.85 1.13 -0.66 1.25 4.05 -0.66 -1.13 114.93 119.77 1kgp h MET 236 Ca 0.18 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1kgp h MET 236 Cb 0.31 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 30.92 1kgp h MET 236 CO -0.00 0.96 0.42 1.88 0.23 0.00 0.00 176.91 180.40 1kgp h TYR 237 N 1.08 0.85 -0.43 1.39 0.05 -0.77 0.58 116.97 119.72 1kgp h TYR 237 Ca 0.24 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.94 1kgp h TYR 237 Cb 0.29 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 1kgp h TYR 237 CO 0.02 0.56 -0.07 -0.44 -1.05 0.00 0.00 178.16 177.18 1kgp h ASP 238 N 0.90 0.81 -0.44 3.88 5.19 -1.19 -1.90 116.42 123.67 1kgp h ASP 238 Ca 0.24 -0.34 -0.14 0.00 -0.62 0.00 0.00 57.03 56.17 1kgp h ASP 238 Cb -0.07 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.21 1kgp h ASP 238 CO -0.05 0.96 -0.26 -0.07 -3.12 0.00 0.00 179.24 176.70 1kgp h LEU 239 N 0.64 0.98 -0.34 1.55 3.38 -1.02 -2.58 115.31 117.92 1kgp h LEU 239 Ca 0.11 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1kgp h LEU 239 Cb 0.59 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1kgp h LEU 239 CO 0.04 1.19 0.17 0.22 0.09 0.00 0.00 178.44 180.14 1kgp h TYR 240 N 0.78 0.49 -0.16 1.13 3.20 -0.85 0.30 116.97 121.85 1kgp h TYR 240 Ca 0.09 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.98 1kgp h TYR 240 Cb 0.84 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.91 1kgp h TYR 240 CO 0.06 0.41 -0.09 1.49 -1.64 0.00 0.00 178.16 178.39 1kgp h GLU 241 N 0.42 -0.08 -0.66 1.82 4.81 -1.31 -0.49 114.58 119.09 1kgp h GLU 241 Ca 0.12 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1kgp h GLU 241 Cb 0.10 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1kgp h GLU 241 CO -0.02 -0.05 0.10 -0.97 -0.73 0.00 0.00 179.01 177.34 1kgp h ASN 242 N -0.08 1.05 0.03 1.04 -1.24 -1.25 -2.96 115.58 112.17 1kgp h ASN 242 Ca 0.09 -0.26 -0.08 0.00 0.71 0.00 0.00 56.30 56.77 1kgp h ASN 242 Cb 0.22 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 1kgp h ASN 242 CO -0.22 1.05 -0.25 -0.08 -1.29 0.00 0.00 177.43 176.64 1kgp h GLU 243 N 1.02 0.35 -0.34 6.67 4.57 0.23 -2.14 114.58 124.95 1kgp h GLU 243 Ca 0.20 -0.12 0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1kgp h GLU 243 Cb 0.45 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 1kgp h GLU 243 CO 0.01 0.58 0.17 0.82 -1.18 0.00 0.00 179.01 179.42 1kgp h ILE 244 N 0.32 1.00 -0.59 2.32 1.08 -0.94 0.11 117.51 120.80 1kgp h ILE 244 Ca 0.05 -0.12 -0.08 0.00 -0.39 0.00 0.00 64.86 64.31 1kgp h ILE 244 Cb 0.61 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 1kgp h ILE 244 CO 0.04 0.07 0.04 -0.08 -0.69 0.00 0.00 178.15 177.53 1kgp h GLU 245 N 0.36 1.01 -0.33 2.37 4.81 -1.44 -0.45 114.58 120.91 1kgp h GLU 245 Ca 0.14 -0.30 0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1kgp h GLU 245 Cb 0.04 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1kgp h GLU 245 CO -0.09 0.98 0.15 -0.92 -0.73 0.00 0.00 179.01 178.40 1kgp h TYR 246 N 0.91 0.28 -0.23 0.92 3.20 -1.05 -2.21 116.97 118.78 1kgp h TYR 246 Ca 0.17 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 1kgp h TYR 246 Cb 0.49 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1kgp h TYR 246 CO 0.04 0.14 0.14 1.15 -1.64 0.00 0.00 178.16 177.99 1kgp h THR 247 N 0.32 1.08 -0.27 1.81 2.02 -0.53 -1.91 112.91 115.42 1kgp h THR 247 Ca 0.14 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.16 1kgp h THR 247 Cb 0.07 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1kgp h THR 247 CO -0.11 0.08 0.09 -0.33 0.37 0.00 0.00 175.52 175.62 1kgp h GLU 248 N 0.29 0.21 -0.63 6.66 5.08 -0.93 0.82 114.58 126.09 1kgp h GLU 248 Ca 0.08 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1kgp h GLU 248 Cb 0.00 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1kgp h GLU 248 CO -0.02 0.14 0.29 -0.44 -1.00 0.00 0.00 179.01 177.98 1kgp h ASP 249 N 0.21 0.81 0.17 1.42 3.32 -1.24 0.63 116.42 121.74 1kgp h ASP 249 Ca 0.12 -0.09 -0.28 0.00 0.02 0.00 0.00 57.03 56.81 1kgp h ASP 249 Cb 0.09 -0.21 0.03 0.00 0.22 0.00 0.00 39.33 39.46 1kgp h ASP 249 CO -0.13 0.69 -1.18 0.40 -1.72 0.00 0.00 179.24 177.31 1kgp h ILE 250 N 0.89 1.35 -0.01 0.35 2.04 -0.93 -3.40 117.51 117.80 1kgp h ILE 250 Ca 0.22 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1kgp h ILE 250 Cb 0.11 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1kgp h ILE 250 CO -0.03 0.75 -0.73 -1.22 0.00 0.00 0.00 178.15 176.93 1kgp n TYR 251 N -3.88 0.00 -0.26 1.37 4.01 0.25 -4.62 117.16 114.03 1kgp n TYR 251 Ca -0.15 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.56 1kgp n TYR 251 Cb 0.97 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 40.08 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 1.06 0.76 -0.33 7.72 5.19 -1.04 -0.49 116.42 129.29 1kgp h ASP 252 Ca 0.00 -0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.44 1kgp h ASP 252 Cb 0.59 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.90 1kgp h ASP 252 CO 0.00 0.53 0.12 0.44 -3.12 0.00 0.00 179.24 177.21 1kgp h ASP 253 N 0.90 0.14 0.56 6.45 5.19 -1.82 -2.03 116.42 125.81 1kgp h ASP 253 Ca 0.29 0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.68 1kgp h ASP 253 Cb 0.01 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1kgp h ASP 253 CO -0.11 0.11 -0.25 -0.07 -3.12 0.00 0.00 179.24 175.81 1kgp h LEU 254 N 0.27 0.00 0.00 1.55 3.38 -1.78 -3.47 115.31 115.26 1kgp h LEU 254 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1kgp h LEU 254 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1kgp h LEU 254 CO -0.15 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.24 1kgp n GLY 255 N -0.30 0.49 0.44 0.83 0.00 -0.22 -4.95 105.19 101.48 1kgp n GLY 255 Ca -0.01 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.89 0.00 -0.24 1.61 8.01 -1.10 -4.64 117.44 118.19 1kgp n TRP 256 Ca 0.00 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.24 1kgp n TRP 256 Cb 0.00 -0.04 0.16 0.00 -2.01 0.00 0.00 31.31 29.42 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 2.17 0.44 -0.97 -0.99 2.02 -1.91 -2.12 112.91 111.55 1kgp h THR 257 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1kgp h THR 257 Cb 0.57 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 1kgp h THR 257 CO 0.00 0.03 0.60 -0.33 0.37 0.00 0.00 175.52 176.20 1kgp h GLU 258 N 0.17 1.30 -0.08 6.66 4.39 -1.96 -1.10 114.58 123.96 1kgp h GLU 258 Ca 0.40 -0.10 -0.16 0.00 0.34 0.00 0.00 59.36 59.84 1kgp h GLU 258 Cb 0.70 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1kgp h GLU 258 CO -0.58 0.89 -0.63 -0.44 -1.16 0.00 0.00 179.01 177.09 1kgp h ASP 259 N 1.32 0.36 -0.26 1.42 3.32 -1.79 -2.73 116.42 118.07 1kgp h ASP 259 Ca 0.35 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 1kgp h ASP 259 Cb -0.09 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1kgp h ASP 259 CO -0.07 0.90 -0.30 0.58 -1.72 0.00 0.00 179.24 178.63 1kgp h VAL 260 N 0.23 1.28 -0.69 -1.35 2.07 -0.91 -2.26 116.25 114.63 1kgp h VAL 260 Ca -0.01 -1.44 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 1kgp h VAL 260 Cb 1.16 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1kgp h VAL 260 CO 0.10 0.48 0.29 0.11 0.02 0.00 0.00 177.57 178.57 1kgp h LYS 261 N 0.65 1.00 -0.71 1.57 1.57 -1.07 0.12 116.57 119.70 1kgp h LYS 261 Ca 0.08 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1kgp h LYS 261 Cb 0.83 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 1kgp h LYS 261 CO 0.07 0.80 0.28 0.00 -0.57 0.00 0.00 179.45 180.03 1kgp h ARG 262 N 0.98 1.06 -0.82 3.15 3.08 -1.34 -2.08 114.38 118.42 1kgp h ARG 262 Ca 0.23 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1kgp h ARG 262 Cb 0.16 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1kgp h ARG 262 CO -0.02 0.88 0.39 0.35 -1.07 0.00 0.00 179.97 180.50 1kgp h PHE 263 N 1.02 1.18 -0.47 3.04 3.57 -0.72 -1.10 116.94 123.46 1kgp h PHE 263 Ca 0.24 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1kgp h PHE 263 Cb 0.21 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 1kgp h PHE 263 CO 0.02 0.85 0.29 -0.07 -2.23 0.00 0.00 178.31 177.17 1kgp h LEU 264 N 1.17 0.56 -0.71 0.59 3.38 -0.65 -2.11 115.31 117.54 1kgp h LEU 264 Ca 0.28 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 1kgp h LEU 264 Cb 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1kgp h LEU 264 CO -0.04 0.44 -0.01 0.03 0.09 0.00 0.00 178.44 178.96 1kgp h ARG 265 N 0.63 0.99 -0.09 1.13 3.08 -1.00 0.54 114.38 119.65 1kgp h ARG 265 Ca 0.17 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 59.92 1kgp h ARG 265 Cb -0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1kgp h ARG 265 CO -0.03 0.97 0.04 -0.92 -1.07 0.00 0.00 179.97 178.96 1kgp h TYR 266 N 0.90 0.07 -0.00 3.04 3.20 -1.03 -2.14 116.97 121.01 1kgp h TYR 266 Ca 0.16 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.89 1kgp h TYR 266 Cb 0.54 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1kgp h TYR 266 CO 0.03 0.04 -0.69 -0.91 -1.64 0.00 0.00 178.16 175.00 1kgp h ASN 267 N 0.09 0.03 -0.95 -2.11 2.35 -1.29 -2.77 115.58 110.93 1kgp h ASN 267 Ca 0.04 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1kgp h ASN 267 Cb 0.01 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 1kgp h ASN 267 CO -0.03 0.71 0.61 0.00 -1.65 0.00 0.00 177.43 177.06 1kgp h ALA 268 N 1.29 1.28 -0.39 -0.83 0.00 -0.65 0.29 119.26 120.24 1kgp h ALA 268 Ca -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1kgp h ALA 268 Cb 1.22 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1kgp h ALA 268 CO 0.09 0.64 0.17 -0.91 0.00 0.00 0.00 179.25 179.25 1kgp h ASN 269 N 1.30 0.53 -0.70 0.00 2.35 -1.19 -1.93 115.58 115.94 1kgp h ASN 269 Ca 0.35 -0.15 0.03 0.00 -0.55 0.00 0.00 56.30 55.98 1kgp h ASN 269 Cb -0.11 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.07 1kgp h ASN 269 CO -0.07 0.53 0.44 0.11 -1.65 0.00 0.00 177.43 176.79 1kgp h LYS 270 N 0.49 0.82 -0.43 0.81 6.56 -1.09 -0.27 116.57 123.46 1kgp h LYS 270 Ca 0.13 -0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1kgp h LYS 270 Cb 0.16 -0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 31.61 1kgp h LYS 270 CO -0.01 0.55 0.27 0.00 -2.06 0.00 0.00 179.45 178.19 1kgp h ALA 271 N 1.30 0.55 -0.45 3.86 0.00 -0.74 0.00 119.26 123.79 1kgp h ALA 271 Ca 0.28 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1kgp h ALA 271 Cb 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1kgp h ALA 271 CO -0.11 0.03 0.13 -0.07 0.00 0.00 0.00 179.25 179.23 1kgp h LEU 272 N 0.58 0.66 -0.92 0.00 3.38 -0.95 -2.31 115.31 115.75 1kgp h LEU 272 Ca 0.16 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1kgp h LEU 272 Cb -0.02 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.49 1kgp h LEU 272 CO -0.03 0.70 0.57 0.78 0.09 0.00 0.00 178.44 180.56 1kgp h ASN 273 N 0.59 0.88 0.06 -0.43 2.35 -0.75 -0.45 115.58 117.83 1kgp h ASN 273 Ca 0.14 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1kgp h ASN 273 Cb 0.28 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1kgp h ASN 273 CO -0.00 0.53 -0.04 0.78 -1.65 0.00 0.00 177.43 177.05 1kgp h ASN 274 N 0.99 0.00 -0.08 5.81 2.35 -0.43 -0.30 115.58 123.93 1kgp h ASN 274 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 1kgp h ASN 274 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1kgp h ASN 274 CO -0.21 0.04 0.00 0.18 -1.65 0.00 0.00 177.43 175.79 1kgp n LEU 275 N -4.20 1.50 0.00 1.61 4.77 -0.28 -3.88 117.00 116.52 1kgp n LEU 275 Ca -0.03 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1kgp n LEU 275 Cb 0.12 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1kgp n LEU 275 CO 0.32 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1kgp n GLY 276 N 1.14 0.65 3.61 -0.72 0.00 -0.12 -4.70 105.19 105.05 1kgp n GLY 276 Ca 0.18 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 2.58 0.69 1.61 2.02 -0.61 -4.98 117.35 116.67 1kgp s TYR 277 Ca 0.00 -0.28 -0.15 0.00 -0.37 0.00 0.00 57.07 56.27 1kgp s TYR 277 Cb 0.00 -1.20 0.02 0.00 -0.40 0.00 0.00 41.96 40.38 1kgp s TYR 277 CO 0.00 0.62 1.15 -1.83 -1.57 0.00 0.00 175.55 173.92 1kgp s GLU 278 N -3.65 2.49 0.85 -0.62 1.03 -1.26 -2.90 118.70 114.64 1kgp s GLU 278 Ca 0.32 1.54 -0.10 0.00 0.03 0.00 0.00 54.97 56.75 1kgp s GLU 278 Cb -0.05 -1.90 0.10 0.00 -0.80 0.00 0.00 34.13 31.48 1kgp s GLU 278 CO 0.19 -1.52 1.11 0.20 -1.33 0.00 0.00 175.26 173.91 1kgp s GLY 279 N -2.37 1.67 -0.15 -3.83 0.00 -1.26 -4.70 107.32 96.67 1kgp s GLY 279 Ca 0.70 0.34 0.08 0.00 0.00 0.00 0.00 44.72 45.83 1kgp s GLY 279 CO 0.43 0.74 0.23 -0.10 0.00 0.00 0.00 173.10 174.39 1kgp n LEU 280 N -3.85 1.46 -4.72 0.66 7.94 -1.26 -4.96 117.00 112.28 1kgp n LEU 280 Ca 0.10 0.13 -0.35 0.00 -1.11 0.00 0.00 56.01 54.77 1kgp n LEU 280 Cb 0.53 -0.25 -0.09 0.00 0.53 0.00 0.00 43.42 44.14 1kgp n LEU 280 CO 0.52 0.64 -0.28 -0.36 -1.11 0.00 0.00 177.39 176.80 1kgp s PHE 281 N -2.54 3.24 0.62 1.96 0.08 -1.26 -5.09 117.98 114.99 1kgp s PHE 281 Ca -0.17 0.25 -0.18 0.00 0.12 0.00 0.00 56.93 56.96 1kgp s PHE 281 Cb 0.07 -1.82 -0.02 0.00 -0.57 0.00 0.00 43.02 40.68 1kgp s PHE 281 CO 0.76 0.51 1.18 -1.25 -0.10 0.00 0.00 175.22 176.32 1kgp s PRO 282 N -0.88 2.83 0.33 0.24 0.04 -1.26 -4.90 135.00 131.41 1kgp s PRO 282 Ca 0.13 1.72 0.06 0.00 0.04 0.00 0.00 61.00 62.95 1kgp s PRO 282 Cb -0.11 -1.92 0.73 0.00 0.04 0.00 0.00 34.50 33.23 1kgp s PRO 282 CO 0.03 -1.29 1.86 1.15 0.04 0.00 0.00 177.00 178.78 1kgp h THR 283 N 0.56 0.86 0.00 1.26 2.02 -1.98 -0.57 112.91 115.06 1kgp h THR 283 Ca -0.49 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1kgp h THR 283 Cb 1.28 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1kgp h THR 283 CO 0.54 0.14 0.00 -0.90 0.37 0.00 0.00 175.52 175.68 1kgp n ASP 284 N -4.59 0.10 -0.94 4.18 5.68 -1.26 -1.44 116.55 118.29 1kgp n ASP 284 Ca 0.18 0.53 0.09 0.00 -0.50 0.00 0.00 54.79 55.09 1kgp n ASP 284 Cb 0.43 -0.55 0.19 0.00 -1.14 0.00 0.00 41.12 40.05 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 -1.62 2.36 -1.14 0.11 1.02 -0.22 -4.48 120.64 116.67 1kgp n GLU 285 Ca 0.02 -2.12 -0.02 0.00 -0.02 0.00 0.00 57.16 55.02 1kgp n GLU 285 Cb 0.10 -1.41 0.14 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 1.11 2.04 -2.07 2.62 -2.24 -0.52 -4.64 114.28 110.58 1kgp n THR 286 Ca 0.16 -3.26 -0.42 0.00 -2.27 0.00 0.00 64.05 58.26 1kgp n THR 286 Cb 0.51 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 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 -3.04 4.26 -0.05 -0.78 1.02 -1.26 -4.65 119.74 115.25 1kgp s LYS 287 Ca 0.40 2.18 0.04 0.00 0.02 0.00 0.00 55.97 58.62 1kgp s LYS 287 Cb 0.38 -3.33 -0.00 0.00 -0.52 0.00 0.00 37.83 34.36 1kgp s LYS 287 CO -0.05 -0.55 -0.18 0.08 -0.92 0.00 0.00 175.35 173.73 1kgp s VAL 288 N 1.57 1.50 0.22 3.17 1.01 -1.26 -4.61 120.40 122.00 1kgp s VAL 288 Ca 0.68 -0.74 -0.31 0.00 0.00 0.00 0.00 61.98 61.60 1kgp s VAL 288 Cb -0.38 -1.30 -0.14 0.00 0.00 0.00 0.00 36.38 34.56 1kgp s VAL 288 CO 0.30 0.43 1.28 -0.24 0.00 0.00 0.00 175.10 176.88 1kgp n SER 289 N 3.26 2.14 0.27 3.32 2.88 -1.26 -4.82 113.62 119.41 1kgp n SER 289 Ca -0.19 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 58.63 1kgp n SER 289 Cb 0.53 -1.35 0.78 0.00 -0.75 0.00 0.00 64.21 63.42 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 3.66 0.00 0.00 -1.46 0.13 -1.99 -0.96 132.00 131.39 1kgp h PRO 290 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1kgp h PRO 290 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1kgp h PRO 290 CO 0.72 0.08 0.00 0.00 -0.23 0.00 0.00 178.00 178.57 1kgp h ALA 291 N 1.92 1.00 0.06 -0.56 0.00 -2.00 -1.94 119.26 117.74 1kgp h ALA 291 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1kgp h ALA 291 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1kgp h ALA 291 CO 0.01 0.00 -1.38 0.82 0.00 0.00 0.00 179.25 178.70 1kgp h ILE 292 N 0.00 0.94 -0.23 0.00 2.04 -1.53 -3.22 117.51 115.50 1kgp h ILE 292 Ca 0.00 -2.28 0.03 0.00 1.00 0.00 0.00 64.86 63.60 1kgp h ILE 292 Cb 0.62 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 1kgp h ILE 292 CO 0.00 0.56 0.16 -0.07 0.00 0.00 0.00 178.15 178.80 1kgp h LEU 293 N -0.59 0.17 0.00 1.44 3.38 -1.13 -1.01 115.31 117.57 1kgp h LEU 293 Ca -0.33 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1kgp h LEU 293 Cb 1.56 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.27 1kgp h LEU 293 CO -0.06 0.12 -0.05 0.77 0.09 0.00 0.00 178.44 179.30 1kgp h SER 294 N 0.19 0.00 0.00 -0.43 4.64 -1.53 -1.68 113.55 114.75 1kgp h SER 294 Ca 0.10 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1kgp h SER 294 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1kgp h SER 294 CO -0.02 0.62 0.02 -1.54 -0.87 0.00 0.00 176.83 175.04 1kgp n SER 295 N -4.73 0.00 -0.03 4.97 3.41 -1.16 -1.24 113.62 114.84 1kgp n SER 295 Ca -0.03 0.20 -0.02 0.00 -0.26 0.00 0.00 58.87 58.76 1kgp n SER 295 Cb 0.11 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.18 0.68 0.00 1.04 7.94 -0.39 -4.93 117.00 120.15 1kgp n LEU 296 Ca 0.00 0.28 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 1kgp n LEU 296 Cb 0.02 -0.62 0.00 0.00 0.53 0.00 0.00 43.42 43.35 1kgp n LEU 296 CO 0.00 -0.46 0.00 -1.20 -1.11 0.00 0.00 177.39 174.62