#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksb s ILE 4 N 0.00 -0.01 -0.06 -1.44 2.07 -1.26 -5.15 121.20 115.35 3ksb s ILE 4 Ca 0.00 0.04 -0.12 0.00 -1.41 0.00 0.00 60.65 59.15 3ksb s ILE 4 Cb 0.00 -0.74 -0.05 0.00 0.13 0.00 0.00 42.46 41.80 3ksb s ILE 4 CO 0.00 0.02 0.31 0.00 -1.91 0.00 0.00 174.94 173.36 3ksb s GLN 5 N 1.03 3.84 -0.27 3.50 1.03 -1.26 -5.05 119.66 122.48 3ksb s GLN 5 Ca -0.06 0.20 -0.08 0.00 0.04 0.00 0.00 55.36 55.46 3ksb s GLN 5 Cb -0.06 -3.25 -0.02 0.00 0.03 0.00 0.00 33.01 29.71 3ksb s GLN 5 CO -0.09 0.63 0.10 1.21 -2.54 0.00 0.00 175.29 174.60 3ksb s ASN 6 N -0.77 5.26 0.19 12.60 3.84 -1.26 -5.07 114.94 129.74 3ksb s ASN 6 Ca 0.20 -0.36 0.08 0.00 0.21 0.00 0.00 52.86 52.99 3ksb s ASN 6 Cb -0.15 -1.94 -0.04 0.00 -0.55 0.00 0.00 41.25 38.57 3ksb s ASN 6 CO 0.09 -0.10 -0.17 -0.04 -2.79 0.00 0.00 177.10 174.09 3ksb s MET 7 N 1.60 1.32 0.42 0.43 -1.94 -1.26 -5.15 119.30 114.73 3ksb s MET 7 Ca 0.05 -1.50 -0.07 0.00 -1.71 0.00 0.00 55.69 52.47 3ksb s MET 7 Cb -0.16 -1.29 0.10 0.00 2.01 0.00 0.00 34.83 35.49 3ksb s MET 7 CO 0.04 0.24 0.57 -1.13 -0.01 0.00 0.00 175.02 174.73 3ksb n SER 8 N -0.02 0.07 -0.03 3.03 3.41 -1.26 -4.94 113.62 113.87 3ksb n SER 8 Ca -0.11 -1.22 -0.21 0.00 -0.26 0.00 0.00 58.87 57.07 3ksb n SER 8 Cb 0.58 -0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 63.97 3ksb n SER 8 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3ksb n LEU 9 N 0.00 2.66 0.15 1.04 -0.00 -1.26 -3.23 117.00 116.36 3ksb n LEU 9 Ca 0.07 0.15 -0.14 0.00 -0.00 0.00 0.00 56.01 56.09 3ksb n LEU 9 Cb 0.25 -1.06 -0.08 0.00 -0.00 0.00 0.00 43.42 42.53 3ksb n LEU 9 CO 0.18 0.83 0.76 -0.33 -0.00 0.00 0.00 177.39 178.83 3ksb h GLU 10 N -0.03 -0.31 0.09 1.96 4.39 -1.99 -1.09 114.58 117.60 3ksb h GLU 10 Ca -0.46 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.25 3ksb h GLU 10 Cb 1.95 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.67 3ksb h GLU 10 CO 0.02 -0.16 -0.04 0.38 -1.16 0.00 0.00 179.01 178.05 3ksb h ASP 11 N -0.38 -0.11 -0.68 1.42 2.03 -1.97 -1.37 116.42 115.36 3ksb h ASP 11 Ca -0.03 -0.26 0.11 0.00 -0.73 0.00 0.00 57.03 56.12 3ksb h ASP 11 Cb 0.29 0.03 -0.08 0.00 -0.83 0.00 0.00 39.33 38.74 3ksb h ASP 11 CO 0.05 0.21 0.28 0.40 -1.03 0.00 0.00 179.24 179.15 3ksb h ILE 12 N -0.43 0.75 -0.75 4.15 2.04 -1.61 -0.60 117.51 121.06 3ksb h ILE 12 Ca -0.01 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3ksb h ILE 12 Cb 0.36 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 3ksb h ILE 12 CO 0.02 0.08 0.40 0.24 0.00 0.00 0.00 178.15 178.90 3ksb h MET 13 N 0.46 1.04 0.32 2.37 2.86 -1.09 -1.73 114.93 119.16 3ksb h MET 13 Ca 0.35 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 3ksb h MET 13 Cb 0.46 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 3ksb h MET 13 CO -0.33 0.77 -0.19 0.78 1.06 0.00 0.00 176.91 179.00 3ksb h GLY 14 N 1.09 -0.66 -0.15 8.32 0.00 -0.05 -1.04 103.07 110.57 3ksb h GLY 14 Ca 0.26 0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.88 3ksb h GLY 14 CO -0.04 -0.23 -0.32 1.05 0.00 0.00 0.00 176.54 177.00 3ksb h GLU 15 N -0.47 -0.28 -0.80 4.80 4.11 -1.10 0.92 114.58 121.77 3ksb h GLU 15 Ca -0.04 0.02 0.17 0.00 0.07 0.00 0.00 59.36 59.57 3ksb h GLU 15 Cb 0.37 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.58 3ksb h GLU 15 CO 0.05 -0.19 0.32 0.00 0.07 0.00 0.00 179.01 179.26 3ksb h ARG 16 N -0.29 0.41 -0.26 1.06 2.47 -1.40 -0.08 114.38 116.28 3ksb h ARG 16 Ca 0.03 -0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.64 3ksb h ARG 16 Cb 0.37 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 3ksb h ARG 16 CO -0.29 0.27 -0.16 0.35 0.56 0.00 0.00 179.97 180.70 3ksb h PHE 17 N 0.42 0.67 -0.90 3.04 3.04 -0.58 -3.04 116.94 119.60 3ksb h PHE 17 Ca 0.46 -0.18 0.09 0.00 3.98 0.00 0.00 57.97 62.32 3ksb h PHE 17 Cb 0.75 -0.15 -0.06 0.00 2.56 0.00 0.00 35.95 39.05 3ksb h PHE 17 CO -0.17 0.84 0.58 0.78 -2.02 0.00 0.00 178.31 178.33 3ksb h GLY 18 N 0.30 1.31 0.95 2.40 0.00 0.95 0.29 103.07 109.27 3ksb h GLY 18 Ca 0.06 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 3ksb h GLY 18 CO 0.04 0.23 -0.46 3.21 0.00 0.00 0.00 176.54 179.56 3ksb h ARG 19 N 0.93 -1.23 -0.52 4.80 3.08 -1.24 -2.78 114.38 117.41 3ksb h ARG 19 Ca 0.41 0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.59 3ksb h ARG 19 Cb 0.36 0.28 -0.04 0.00 0.08 0.00 0.00 29.97 30.65 3ksb h ARG 19 CO -0.17 -0.82 0.28 -0.92 -1.07 0.00 0.00 179.97 177.26 3ksb h TYR 20 N -1.33 0.51 -0.65 3.04 3.20 -1.29 -2.07 116.97 118.38 3ksb h TYR 20 Ca -0.13 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.86 3ksb h TYR 20 Cb 0.98 -0.15 -0.08 0.00 1.54 0.00 0.00 36.73 39.02 3ksb h TYR 20 CO 0.00 0.26 0.24 0.66 -1.64 0.00 0.00 178.16 177.69 3ksb h SER 21 N 0.54 0.24 0.76 -2.11 4.64 -0.50 -1.05 113.55 116.07 3ksb h SER 21 Ca 0.23 0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.60 3ksb h SER 21 Cb 0.11 0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3ksb h SER 21 CO -0.15 0.13 -0.37 0.11 -0.87 0.00 0.00 176.83 175.69 3ksb h LYS 22 N 0.42 -0.98 -0.56 4.77 6.56 -1.10 -2.39 116.57 123.28 3ksb h LYS 22 Ca 0.33 0.07 0.11 0.00 -1.06 0.00 0.00 60.65 60.10 3ksb h LYS 22 Cb 0.44 0.22 -0.09 0.00 -0.57 0.00 0.00 32.23 32.23 3ksb h LYS 22 CO -0.33 -0.66 -0.01 -0.92 -2.06 0.00 0.00 179.45 175.47 3ksb h TYR 23 N -1.14 -0.05 -0.40 -1.35 -0.00 -1.20 -0.08 116.97 112.75 3ksb h TYR 23 Ca -0.10 0.04 0.07 0.00 -0.00 0.00 0.00 58.73 58.74 3ksb h TYR 23 Cb 0.78 0.11 -0.06 0.00 -0.00 0.00 0.00 36.73 37.56 3ksb h TYR 23 CO 0.03 -0.15 0.04 0.82 -0.00 0.00 0.00 178.16 178.90 3ksb h ILE 24 N 0.11 0.74 0.77 1.81 1.08 -1.23 0.19 117.51 120.98 3ksb h ILE 24 Ca 0.29 -0.05 -0.04 0.00 -0.39 0.00 0.00 64.86 64.67 3ksb h ILE 24 Cb 0.45 0.57 0.01 0.00 -3.07 0.00 0.00 36.82 34.78 3ksb h ILE 24 CO -0.48 0.03 -0.37 0.40 -0.69 0.00 0.00 178.15 177.04 3ksb h ILE 25 N 0.15 0.00 0.00 -0.67 2.04 -0.51 -2.03 117.51 116.50 3ksb h ILE 25 Ca 0.20 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3ksb h ILE 25 Cb 0.26 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3ksb h ILE 25 CO -0.30 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.85 3ksb n GLN 26 N -5.15 0.00 0.26 2.37 6.02 -0.62 -2.55 117.38 117.71 3ksb n GLN 26 Ca -0.13 0.23 0.12 0.00 -0.01 0.00 0.00 57.00 57.21 3ksb n GLN 26 Cb 0.41 -1.03 0.72 0.00 1.02 0.00 0.00 30.24 31.35 3ksb n GLN 26 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3ksb h ASP 27 N 0.00 0.00 0.00 1.08 5.19 -0.82 -3.38 116.42 118.49 3ksb h ASP 27 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3ksb h ASP 27 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3ksb h ASP 27 CO 0.00 0.11 0.00 0.54 -3.12 0.00 0.00 179.24 176.77 3ksb n ARG 28 N -3.82 0.00 -0.05 3.56 1.74 -0.97 -4.47 116.66 112.66 3ksb n ARG 28 Ca -0.02 0.05 -0.21 0.00 -0.77 0.00 0.00 57.85 56.89 3ksb n ARG 28 Cb 0.21 -0.52 -0.13 0.00 -1.02 0.00 0.00 32.46 31.00 3ksb n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ksb h ALA 29 N -2.00 0.29 -2.81 7.54 0.00 -1.52 -3.41 119.26 117.35 3ksb h ALA 29 Ca 0.00 -1.22 -0.57 0.00 0.00 0.00 0.00 54.91 53.12 3ksb h ALA 29 Cb 0.00 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 3ksb h ALA 29 CO 0.00 0.89 -0.03 -0.51 0.00 0.00 0.00 179.25 179.60 3ksb s LEU 30 N -7.57 4.30 0.48 0.00 1.43 -1.06 -4.43 118.68 111.84 3ksb s LEU 30 Ca -0.25 1.00 -0.23 0.00 -1.03 0.00 0.00 54.13 53.62 3ksb s LEU 30 Cb 0.06 -2.88 -0.07 0.00 0.03 0.00 0.00 46.19 43.33 3ksb s LEU 30 CO 0.68 -0.04 1.25 -2.16 0.23 0.00 0.00 176.35 176.31 3ksb s PRO 31 N 0.65 3.60 0.32 1.29 0.04 -1.26 -4.65 135.00 134.98 3ksb s PRO 31 Ca 0.31 1.98 -0.28 0.00 0.04 0.00 0.00 61.00 63.05 3ksb s PRO 31 Cb -0.16 -2.42 -0.10 0.00 0.04 0.00 0.00 34.50 31.86 3ksb s PRO 31 CO 0.14 -0.74 1.16 0.34 0.04 0.00 0.00 177.00 177.94 3ksb s ASP 32 N -1.13 7.00 0.02 6.66 2.15 -0.57 -0.80 116.67 130.00 3ksb s ASP 32 Ca 0.65 2.38 0.19 0.00 0.43 0.00 0.00 52.55 56.20 3ksb s ASP 32 Cb -0.34 -2.63 0.82 0.00 -0.30 0.00 0.00 42.92 40.47 3ksb s ASP 32 CO 0.41 -0.34 1.62 0.00 -0.17 0.00 0.00 175.17 176.69 3ksb n ILE 33 N 0.86 0.69 -0.10 4.11 3.06 -0.44 0.05 119.36 127.58 3ksb n ILE 33 Ca 0.00 0.17 -0.19 0.00 -2.50 0.00 0.00 62.75 60.22 3ksb n ILE 33 Cb 0.44 -0.85 -0.09 0.00 0.54 0.00 0.00 39.64 39.68 3ksb n ILE 33 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 3ksb n ARG 34 N -1.55 0.55 -0.16 9.51 1.74 -1.26 -4.38 116.66 121.11 3ksb n ARG 34 Ca 0.05 0.49 0.09 0.00 -0.77 0.00 0.00 57.85 57.70 3ksb n ARG 34 Cb 0.23 -1.67 0.17 0.00 -1.02 0.00 0.00 32.46 30.17 3ksb n ARG 34 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3ksb n ASP 35 N -4.43 3.08 -4.15 0.55 5.75 -1.25 -4.76 116.55 111.33 3ksb n ASP 35 Ca -0.31 -1.89 -0.32 0.00 -0.01 0.00 0.00 54.79 52.26 3ksb n ASP 35 Cb 0.63 -0.21 -0.04 0.00 -1.03 0.00 0.00 41.12 40.48 3ksb n ASP 35 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ksb n GLY 36 N 1.12 -0.32 3.13 6.12 0.00 0.11 -4.22 105.19 111.13 3ksb n GLY 36 Ca 0.15 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 46.07 3ksb n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ksb s LEU 37 N -7.17 1.95 0.53 0.99 1.43 -1.21 -4.45 118.68 110.75 3ksb s LEU 37 Ca 0.37 -0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 52.98 3ksb s LEU 37 Cb -0.20 -0.90 -0.07 0.00 0.03 0.00 0.00 46.19 45.05 3ksb s LEU 37 CO 0.93 0.17 1.02 -0.54 0.23 0.00 0.00 176.35 178.15 3ksb s LYS 38 N -0.13 3.71 0.21 1.70 1.02 -1.26 -1.51 119.74 123.48 3ksb s LYS 38 Ca 0.00 1.13 -0.08 0.00 0.02 0.00 0.00 55.97 57.04 3ksb s LYS 38 Cb -0.09 -2.09 0.30 0.00 -0.52 0.00 0.00 37.83 35.42 3ksb s LYS 38 CO 0.01 -0.48 1.76 -1.35 -0.92 0.00 0.00 175.35 174.37 3ksb h PRO 39 N 0.91 0.49 -0.19 -1.68 0.11 -1.80 -1.60 132.00 128.24 3ksb h PRO 39 Ca -0.47 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.66 3ksb h PRO 39 Cb 1.20 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 3ksb h PRO 39 CO 0.59 0.33 -0.21 0.28 -0.21 0.00 0.00 178.00 178.79 3ksb h VAL 40 N 0.51 0.47 -0.29 3.15 2.07 -1.87 0.34 116.25 120.63 3ksb h VAL 40 Ca 0.32 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.91 3ksb h VAL 40 Cb 0.36 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 3ksb h VAL 40 CO -0.28 0.00 -0.35 1.56 0.02 0.00 0.00 177.57 178.52 3ksb h GLN 41 N -0.23 -0.32 -0.31 1.57 4.20 -1.71 0.15 115.11 118.45 3ksb h GLN 41 Ca 0.12 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.90 3ksb h GLN 41 Cb 0.41 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 3ksb h GLN 41 CO -0.32 -0.22 0.04 -0.09 -0.67 0.00 0.00 178.83 177.57 3ksb h ARG 42 N -0.34 0.14 -0.83 1.46 2.43 -0.54 -0.40 114.38 116.30 3ksb h ARG 42 Ca 0.13 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 3ksb h ARG 42 Cb 0.56 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 3ksb h ARG 42 CO -0.47 0.09 0.37 0.00 -1.51 0.00 0.00 179.97 178.46 3ksb h ARG 43 N 0.14 1.21 0.25 0.20 3.08 0.33 0.86 114.38 120.45 3ksb h ARG 43 Ca 0.15 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3ksb h ARG 43 Cb 0.18 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3ksb h ARG 43 CO -0.22 0.94 -0.18 0.82 -1.07 0.00 0.00 179.97 180.27 3ksb h ILE 44 N 1.19 0.62 0.21 2.04 2.04 -0.02 -0.46 117.51 123.13 3ksb h ILE 44 Ca 0.28 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.15 3ksb h ILE 44 Cb 0.15 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3ksb h ILE 44 CO -0.03 0.00 -0.25 -0.07 0.00 0.00 0.00 178.15 177.80 3ksb h LEU 45 N -0.43 -0.68 0.24 1.44 3.38 -0.71 -0.35 115.31 118.21 3ksb h LEU 45 Ca -0.02 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ksb h LEU 45 Cb 0.37 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3ksb h LEU 45 CO 0.00 -0.36 -0.19 0.22 0.09 0.00 0.00 178.44 178.21 3ksb h TYR 46 N -0.51 -0.50 -0.66 1.13 5.03 -0.85 0.70 116.97 121.31 3ksb h TYR 46 Ca 0.00 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.36 3ksb h TYR 46 Cb 0.49 0.19 -0.05 0.00 1.55 0.00 0.00 36.73 38.91 3ksb h TYR 46 CO -0.19 -0.29 0.38 1.03 -1.32 0.00 0.00 178.16 177.77 3ksb h SER 47 N -0.44 0.58 0.60 -2.11 0.87 -1.03 0.40 113.55 112.41 3ksb h SER 47 Ca -0.01 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 3ksb h SER 47 Cb 0.40 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3ksb h SER 47 CO -0.01 0.39 -0.29 0.24 -0.53 0.00 0.00 176.83 176.62 3ksb h MET 48 N 0.72 -0.77 -0.99 2.24 2.86 -0.63 -1.13 114.93 117.23 3ksb h MET 48 Ca 0.29 0.05 0.08 0.00 -2.06 0.00 0.00 59.70 58.05 3ksb h MET 48 Cb 0.13 0.18 -0.07 0.00 0.06 0.00 0.00 31.60 31.90 3ksb h MET 48 CO -0.16 -0.47 0.63 -0.97 1.06 0.00 0.00 176.91 177.00 3ksb h ASN 49 N -0.93 0.99 -0.52 1.22 -1.24 -0.67 -1.32 115.58 113.11 3ksb h ASN 49 Ca -0.08 0.02 0.04 0.00 0.71 0.00 0.00 56.30 56.98 3ksb h ASN 49 Cb 0.66 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 39.48 3ksb h ASN 49 CO 0.13 0.61 0.28 0.50 -1.29 0.00 0.00 177.43 177.67 3ksb h LYS 50 N 1.11 0.53 -0.58 6.67 3.64 -0.02 -0.50 116.57 127.42 3ksb h LYS 50 Ca 0.44 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 3ksb h LYS 50 Cb 0.23 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3ksb h LYS 50 CO -0.19 0.35 0.00 -0.25 -2.27 0.00 0.00 179.45 177.09 3ksb n ASP 51 N -4.85 0.58 -0.73 4.20 9.92 -0.44 -4.90 116.55 120.33 3ksb n ASP 51 Ca 0.04 -1.31 0.00 0.00 -0.53 0.00 0.00 54.79 53.00 3ksb n ASP 51 Cb 0.12 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 3ksb n ASP 51 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3ksb n SER 52 N 0.10 0.00 -3.55 -2.24 3.41 -0.20 -4.94 113.62 106.20 3ksb n SER 52 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 3ksb n SER 52 Cb 0.15 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.06 3ksb n SER 52 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3ksb n ASN 53 N 0.92 5.02 -4.83 4.04 2.85 -0.64 -4.99 115.26 117.62 3ksb n ASN 53 Ca 0.00 -3.50 -0.23 0.00 -0.11 0.00 0.00 54.58 50.74 3ksb n ASN 53 Cb 0.00 -0.88 -0.04 0.00 1.24 0.00 0.00 39.78 40.09 3ksb n ASN 53 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3ksb s THR 54 N -3.04 4.53 0.60 -0.44 -4.23 -1.26 -1.11 115.64 110.69 3ksb s THR 54 Ca 0.38 -1.29 0.29 0.00 -1.18 0.00 0.00 61.69 59.89 3ksb s THR 54 Cb 0.14 -3.42 0.39 0.00 1.34 0.00 0.00 72.50 70.96 3ksb s THR 54 CO -0.00 -0.29 1.64 2.19 -0.54 0.00 0.00 174.62 177.62 3ksb h PHE 55 N 1.69 0.00 0.00 3.99 -0.00 -1.44 0.61 116.94 121.79 3ksb h PHE 55 Ca -0.49 0.00 -0.24 0.00 -0.00 0.00 0.00 57.97 57.25 3ksb h PHE 55 Cb 1.23 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 37.14 3ksb h PHE 55 CO 0.55 0.00 -1.58 -0.40 -0.00 0.00 0.00 178.31 176.88 3ksb n ASP 56 N -3.50 0.86 -5.00 -0.68 5.75 -1.26 -4.90 116.55 107.82 3ksb n ASP 56 Ca 0.15 0.40 -0.18 0.00 -0.01 0.00 0.00 54.79 55.15 3ksb n ASP 56 Cb 1.06 0.05 0.01 0.00 -1.03 0.00 0.00 41.12 41.21 3ksb n ASP 56 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3ksb s LYS 57 N -2.75 2.91 1.08 0.11 1.02 0.20 -5.09 119.74 117.23 3ksb s LYS 57 Ca -0.04 -1.13 -0.16 0.00 0.02 0.00 0.00 55.97 54.66 3ksb s LYS 57 Cb 0.08 -2.76 0.11 0.00 -0.52 0.00 0.00 37.83 34.74 3ksb s LYS 57 CO 0.82 -0.19 0.24 0.45 -0.92 0.00 0.00 175.35 175.75 3ksb n SER 58 N -1.82 -2.17 -4.87 2.83 2.88 -1.26 -4.69 113.62 104.53 3ksb n SER 58 Ca 0.05 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.29 3ksb n SER 58 Cb 0.59 -1.06 0.01 0.00 -0.75 0.00 0.00 64.21 62.99 3ksb n SER 58 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3ksb s TYR 59 N -2.30 3.63 -0.06 0.66 1.51 -1.26 -4.75 117.35 114.77 3ksb s TYR 59 Ca 0.58 1.27 -0.01 0.00 -1.01 0.00 0.00 57.07 57.90 3ksb s TYR 59 Cb -0.16 -2.70 0.03 0.00 -0.11 0.00 0.00 41.96 39.01 3ksb s TYR 59 CO 0.66 -0.67 0.00 -0.98 -1.11 0.00 0.00 175.55 173.45 3ksb s ARG 60 N -5.16 0.54 -0.42 -0.62 3.03 -0.94 -4.91 118.95 110.47 3ksb s ARG 60 Ca 0.55 0.11 -0.11 0.00 2.03 0.00 0.00 55.73 58.31 3ksb s ARG 60 Cb -0.11 -0.87 -0.10 0.00 -1.03 0.00 0.00 34.95 32.84 3ksb s ARG 60 CO 0.54 -0.27 1.08 1.17 -1.13 0.00 0.00 175.30 176.69 3ksb n LYS 61 N 4.96 0.00 -0.24 3.89 3.00 -1.26 -1.82 118.16 126.68 3ksb n LYS 61 Ca -0.10 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.33 3ksb n LYS 61 Cb 0.50 -0.58 0.24 0.00 0.00 0.00 0.00 35.03 35.19 3ksb n LYS 61 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3ksb n SER 62 N 3.94 -0.03 -0.25 3.14 7.64 -1.17 -1.16 113.62 125.74 3ksb n SER 62 Ca 0.28 1.19 -0.05 0.00 1.01 0.00 0.00 58.87 61.30 3ksb n SER 62 Cb 0.02 -0.46 0.06 0.00 -1.01 0.00 0.00 64.21 62.83 3ksb n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ksb h ALA 63 N 1.41 0.91 -0.02 -0.43 0.00 -1.84 0.18 119.26 119.47 3ksb h ALA 63 Ca 0.46 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.36 3ksb h ALA 63 Cb 1.00 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3ksb h ALA 63 CO -0.64 0.30 -0.29 -0.22 0.00 0.00 0.00 179.25 178.39 3ksb h LYS 64 N 0.94 -0.41 -0.73 0.00 3.64 -1.50 0.24 116.57 118.75 3ksb h LYS 64 Ca 0.27 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.83 3ksb h LYS 64 Cb -0.08 0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 31.70 3ksb h LYS 64 CO -0.07 -0.28 -0.10 0.77 -2.27 0.00 0.00 179.45 177.50 3ksb h SER 65 N -0.43 -0.54 -0.37 4.20 0.02 -1.03 -0.80 113.55 114.60 3ksb h SER 65 Ca 0.07 0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 61.18 3ksb h SER 65 Cb 0.53 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 3ksb h SER 65 CO -0.26 -0.22 0.06 0.58 -1.14 0.00 0.00 176.83 175.85 3ksb h VAL 66 N 0.04 1.24 -0.90 2.27 2.07 0.08 -2.21 116.25 118.84 3ksb h VAL 66 Ca 0.37 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3ksb h VAL 66 Cb 0.61 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3ksb h VAL 66 CO -0.71 0.29 0.49 1.23 0.02 0.00 0.00 177.57 178.89 3ksb h GLY 67 N 0.46 1.33 0.93 2.17 0.00 -0.30 -0.71 103.07 106.96 3ksb h GLY 67 Ca 0.11 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 3ksb h GLY 67 CO 0.01 0.58 -0.00 3.43 0.00 0.00 0.00 176.54 180.55 3ksb h ASN 68 N 1.25 0.65 0.53 0.19 4.21 -0.98 0.20 115.58 121.63 3ksb h ASN 68 Ca 0.32 -0.31 -0.02 0.00 1.21 0.00 0.00 56.30 57.50 3ksb h ASN 68 Cb 0.02 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.04 3ksb h ASN 68 CO -0.05 0.80 -0.32 0.40 -1.29 0.00 0.00 177.43 176.96 3ksb h ILE 69 N 0.48 0.34 -0.79 2.81 2.04 -1.12 0.10 117.51 121.37 3ksb h ILE 69 Ca 0.11 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.15 3ksb h ILE 69 Cb 0.47 0.34 -0.12 0.00 -0.74 0.00 0.00 36.82 36.77 3ksb h ILE 69 CO 0.02 0.00 0.21 0.24 0.00 0.00 0.00 178.15 178.62 3ksb h MET 70 N -0.81 0.27 -0.11 2.37 2.86 -1.10 0.27 114.93 118.68 3ksb h MET 70 Ca -0.06 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 3ksb h MET 70 Cb 0.66 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.26 3ksb h MET 70 CO 0.06 0.18 -0.31 0.78 1.06 0.00 0.00 176.91 178.68 3ksb h GLY 71 N 0.27 0.44 0.00 8.32 0.00 -0.63 -3.32 103.07 108.16 3ksb h GLY 71 Ca 0.46 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 3ksb h GLY 71 CO -0.55 0.50 -0.25 3.43 0.00 0.00 0.00 176.54 179.68 3ksb h ASN 72 N -0.03 0.00 0.00 0.19 2.35 -0.78 -3.46 115.58 113.85 3ksb h ASN 72 Ca -0.01 -0.26 -0.28 0.00 -0.55 0.00 0.00 56.30 55.20 3ksb h ASN 72 Cb 0.92 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.24 3ksb h ASN 72 CO 0.07 0.76 -2.06 0.49 -1.65 0.00 0.00 177.43 175.04 3ksb n PHE 73 N -4.67 0.00 -3.70 1.19 3.01 0.81 -4.63 117.46 109.47 3ksb n PHE 73 Ca -0.07 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.09 3ksb n PHE 73 Cb 0.23 -0.76 -0.14 0.00 -0.01 0.00 0.00 39.48 38.80 3ksb n PHE 73 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 3ksb s HIS 74 N -2.37 1.68 -1.15 1.38 2.46 -0.44 -4.70 115.29 112.16 3ksb s HIS 74 Ca -0.11 -1.93 -0.12 0.00 0.47 0.00 0.00 55.06 53.38 3ksb s HIS 74 Cb 0.05 -1.69 -0.07 0.00 -0.13 0.00 0.00 32.58 30.75 3ksb s HIS 74 CO 0.60 -0.84 2.29 -2.30 -2.47 0.00 0.00 174.74 172.02 3ksb n PRO 75 N 4.38 2.47 -2.31 2.88 -0.02 -1.26 -4.20 135.00 136.94 3ksb n PRO 75 Ca 0.02 -1.93 -0.05 0.00 -2.02 0.00 0.00 63.50 59.53 3ksb n PRO 75 Cb 0.39 -2.79 -0.01 0.00 -0.02 0.00 0.00 33.50 31.07 3ksb n PRO 75 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3ksb n HIS 76 N 5.16 -0.76 -1.72 6.00 8.25 -1.26 -5.14 115.22 125.75 3ksb n HIS 76 Ca 0.55 -0.73 -0.39 0.00 -0.26 0.00 0.00 57.72 56.89 3ksb n HIS 76 Cb 0.26 0.17 0.03 0.00 1.12 0.00 0.00 29.99 31.58 3ksb n HIS 76 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ksb n GLY 77 N -0.18 0.61 0.12 -1.41 0.00 -1.26 -4.91 105.19 98.16 3ksb n GLY 77 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 3ksb n GLY 77 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ksb h ASP 78 N 1.55 -0.22 -0.65 1.61 2.03 -1.96 -3.19 116.42 115.60 3ksb h ASP 78 Ca -0.50 0.04 0.06 0.00 -0.73 0.00 0.00 57.03 55.90 3ksb h ASP 78 Cb 1.31 0.11 -0.05 0.00 -0.83 0.00 0.00 39.33 39.86 3ksb h ASP 78 CO 0.57 -0.11 0.36 0.77 -1.03 0.00 0.00 179.24 179.80 3ksb h SER 79 N -0.11 0.53 -0.30 4.15 4.64 -1.99 -0.03 113.55 120.45 3ksb h SER 79 Ca 0.05 0.03 0.06 0.00 -0.47 0.00 0.00 61.79 61.45 3ksb h SER 79 Cb 0.17 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 62.13 3ksb h SER 79 CO -0.11 0.35 -0.07 0.28 -0.87 0.00 0.00 176.83 176.41 3ksb h SER 80 N 0.67 -0.27 0.71 4.97 0.02 -1.94 0.30 113.55 118.01 3ksb h SER 80 Ca 0.29 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.29 3ksb h SER 80 Cb 0.17 0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.90 3ksb h SER 80 CO -0.18 -0.09 -0.34 0.40 -1.14 0.00 0.00 176.83 175.48 3ksb h ILE 81 N 0.00 0.23 -0.72 3.27 2.04 -1.32 -2.81 117.51 118.20 3ksb h ILE 81 Ca 0.14 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.87 3ksb h ILE 81 Cb 0.22 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 3ksb h ILE 81 CO -0.30 0.02 0.46 0.22 0.00 0.00 0.00 178.15 178.55 3ksb h TYR 82 N -1.08 0.87 -0.69 1.37 3.20 -0.85 0.42 116.97 120.21 3ksb h TYR 82 Ca -0.10 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.85 3ksb h TYR 82 Cb 0.76 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 3ksb h TYR 82 CO -0.01 0.52 0.40 -0.44 -1.64 0.00 0.00 178.16 176.99 3ksb h ASP 83 N 0.92 0.62 -0.65 -2.11 3.32 -1.02 0.16 116.42 117.66 3ksb h ASP 83 Ca 0.28 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.30 3ksb h ASP 83 Cb -0.03 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3ksb h ASP 83 CO -0.09 0.41 0.22 0.00 -1.72 0.00 0.00 179.24 178.05 3ksb h ALA 84 N 1.34 0.84 -0.95 3.45 0.00 -1.07 -1.40 119.26 121.47 3ksb h ALA 84 Ca 0.30 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3ksb h ALA 84 Cb 0.14 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3ksb h ALA 84 CO -0.16 0.50 0.62 1.98 0.00 0.00 0.00 179.25 182.20 3ksb h MET 85 N 0.93 1.20 -0.40 0.00 1.85 -0.08 -2.13 114.93 116.30 3ksb h MET 85 Ca 0.21 -0.07 -0.09 0.00 -0.61 0.00 0.00 59.70 59.14 3ksb h MET 85 Cb 0.27 -0.27 -0.02 0.00 0.43 0.00 0.00 31.60 32.02 3ksb h MET 85 CO -0.01 0.79 -0.11 0.28 -0.40 0.00 0.00 176.91 177.46 3ksb h VAL 86 N 1.24 1.25 -0.31 -5.77 2.07 -0.20 -2.92 116.25 111.60 3ksb h VAL 86 Ca 0.37 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.76 3ksb h VAL 86 Cb -0.06 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3ksb h VAL 86 CO -0.10 0.38 0.19 -0.09 0.02 0.00 0.00 177.57 177.97 3ksb h ARG 87 N 0.65 0.37 0.00 1.57 2.43 -0.61 -1.42 114.38 117.36 3ksb h ARG 87 Ca 0.11 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3ksb h ARG 87 Cb 0.57 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3ksb h ARG 87 CO 0.04 0.25 0.04 0.52 -1.51 0.00 0.00 179.97 179.30 3ksb h MET 88 N 0.38 0.00 -0.66 0.20 0.00 -1.28 0.29 114.93 113.86 3ksb h MET 88 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.82 3ksb h MET 88 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.59 3ksb h MET 88 CO -0.05 0.00 0.00 -1.13 0.00 0.00 0.00 176.91 175.73 3ksb n SER 89 N -2.55 4.50 -4.12 1.22 3.41 -0.54 -1.91 113.62 113.63 3ksb n SER 89 Ca -0.02 -2.63 -0.37 0.00 -0.26 0.00 0.00 58.87 55.59 3ksb n SER 89 Cb 0.09 -0.61 -0.09 0.00 -0.26 0.00 0.00 64.21 63.33 3ksb n SER 89 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ksb s GLN 90 N -2.22 2.59 0.31 4.33 -0.21 0.10 -4.74 119.66 119.82 3ksb s GLN 90 Ca 0.42 -2.44 0.08 0.00 0.02 0.00 0.00 55.36 53.43 3ksb s GLN 90 Cb 0.31 -3.77 0.81 0.00 1.00 0.00 0.00 33.01 31.36 3ksb s GLN 90 CO 0.14 -1.17 1.75 -2.95 -2.12 0.00 0.00 175.29 170.94 3ksb h ASN 91 N 7.21 0.73 1.15 5.90 -1.07 -1.86 0.83 115.58 128.48 3ksb h ASN 91 Ca -0.02 0.12 -0.01 0.00 0.07 0.00 0.00 56.30 56.45 3ksb h ASN 91 Cb 0.97 -0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.21 3ksb h ASN 91 CO 0.72 0.19 -0.06 4.11 0.07 0.00 0.00 177.43 182.46 3ksb h TRP 92 N 0.67 0.00 0.00 4.14 0.09 -1.93 -3.35 115.95 115.56 3ksb h TRP 92 Ca 0.61 0.00 -0.04 0.00 0.09 0.00 0.00 58.89 59.55 3ksb h TRP 92 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.30 3ksb h TRP 92 CO -0.01 0.06 -0.51 0.87 0.09 0.00 0.00 178.44 178.95 3ksb h LYS 93 N 0.00 0.00 -6.39 0.12 1.57 -1.50 -3.42 116.57 106.96 3ksb h LYS 93 Ca -0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 3ksb h LYS 93 Cb 0.65 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 3ksb h LYS 93 CO 0.01 0.24 -0.03 -0.80 -0.57 0.00 0.00 179.45 178.30 3ksb s ASN 94 N -5.93 6.89 -0.03 0.86 -0.87 0.14 -4.86 114.94 111.14 3ksb s ASN 94 Ca -0.14 1.17 -0.08 0.00 -1.57 0.00 0.00 52.86 52.24 3ksb s ASN 94 Cb 0.02 -2.32 -0.04 0.00 -0.02 0.00 0.00 41.25 38.88 3ksb s ASN 94 CO 0.27 0.09 0.45 0.08 -2.57 0.00 0.00 177.10 175.42 3ksb h ARG 95 N 3.53 -0.26 -4.41 -0.60 -0.00 -1.81 -3.41 114.38 107.42 3ksb h ARG 95 Ca -0.48 0.02 -0.72 0.00 -0.00 0.00 0.00 59.98 58.79 3ksb h ARG 95 Cb 1.19 0.06 -0.25 0.00 -0.00 0.00 0.00 29.97 30.97 3ksb h ARG 95 CO 0.66 -0.18 -0.42 -2.00 -0.00 0.00 0.00 179.97 178.03 3ksb s GLU 96 N -2.49 2.78 0.23 0.08 2.56 -1.26 -4.98 118.70 115.62 3ksb s GLU 96 Ca -0.04 -1.37 -0.30 0.00 0.00 0.00 0.00 54.97 53.26 3ksb s GLU 96 Cb 0.00 -3.92 -0.09 0.00 2.00 0.00 0.00 34.13 32.12 3ksb s GLU 96 CO 0.12 -0.95 1.29 -1.50 -0.56 0.00 0.00 175.26 173.66 3ksb s ILE 97 N 1.53 3.15 -0.87 -3.70 2.07 -1.26 -4.91 121.20 117.20 3ksb s ILE 97 Ca 0.03 0.99 0.16 0.00 -1.41 0.00 0.00 60.65 60.43 3ksb s ILE 97 Cb -0.23 -3.63 0.59 0.00 0.13 0.00 0.00 42.46 39.31 3ksb s ILE 97 CO 0.05 0.17 1.50 0.18 -1.91 0.00 0.00 174.94 174.93 3ksb n LEU 98 N 2.20 4.17 -3.68 8.50 4.77 -1.03 -4.67 117.00 127.26 3ksb n LEU 98 Ca 0.04 -2.47 -0.14 0.00 -0.03 0.00 0.00 56.01 53.42 3ksb n LEU 98 Cb 0.43 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 40.94 3ksb n LEU 98 CO 0.58 0.77 0.27 -0.69 -1.33 0.00 0.00 177.39 176.98 3ksb s VAL 99 N -1.87 -0.00 -0.15 4.08 1.01 -0.80 -3.18 120.40 119.48 3ksb s VAL 99 Ca 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.39 3ksb s VAL 99 Cb 0.29 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 3ksb s VAL 99 CO 0.19 0.00 -0.07 -1.83 0.00 0.00 0.00 175.10 173.39 3ksb s GLU 100 N 0.31 3.54 0.07 2.72 -1.05 -0.34 -3.90 118.70 120.04 3ksb s GLU 100 Ca -0.00 -0.59 0.09 0.00 -0.15 0.00 0.00 54.97 54.32 3ksb s GLU 100 Cb -0.04 -2.82 -0.03 0.00 -0.44 0.00 0.00 34.13 30.80 3ksb s GLU 100 CO 0.01 0.19 -0.25 1.41 0.95 0.00 0.00 175.26 177.57 3ksb s MET 101 N 0.46 1.75 -0.18 -4.83 1.75 -1.26 -1.14 119.30 115.85 3ksb s MET 101 Ca -0.06 -1.15 -0.01 0.00 -1.25 0.00 0.00 55.69 53.22 3ksb s MET 101 Cb -0.15 -2.00 -0.00 0.00 2.84 0.00 0.00 34.83 35.52 3ksb s MET 101 CO 0.03 0.50 -0.12 -1.58 -0.65 0.00 0.00 175.02 173.21 3ksb s HIS 102 N -0.89 2.85 -0.36 4.11 2.46 -0.27 -5.00 115.29 118.19 3ksb s HIS 102 Ca 0.13 -1.07 0.00 0.00 0.47 0.00 0.00 55.06 54.59 3ksb s HIS 102 Cb -0.10 -1.97 0.00 0.00 -0.13 0.00 0.00 32.58 30.38 3ksb s HIS 102 CO 0.04 -0.53 0.00 0.41 -2.47 0.00 0.00 174.74 172.19 3ksb n GLY 103 N 4.37 0.48 3.56 1.59 0.00 -1.26 -3.15 105.19 110.78 3ksb n GLY 103 Ca -0.19 -2.27 -0.43 0.00 0.00 0.00 0.00 46.02 43.13 3ksb n GLY 103 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ksb s ASN 104 N -4.00 6.48 -0.40 1.61 2.47 -1.26 -4.90 114.94 114.94 3ksb s ASN 104 Ca 0.00 0.08 0.06 0.00 0.42 0.00 0.00 52.86 53.42 3ksb s ASN 104 Cb 0.00 -2.42 0.43 0.00 -1.45 0.00 0.00 41.25 37.82 3ksb s ASN 104 CO 0.00 -0.94 1.13 -0.46 -3.72 0.00 0.00 177.10 173.11 3ksb n ASN 105 N 6.85 4.66 -0.23 -4.21 6.94 -1.26 0.53 115.26 128.54 3ksb n ASN 105 Ca 0.04 -3.69 0.00 0.00 -0.02 0.00 0.00 54.58 50.91 3ksb n ASN 105 Cb 0.48 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 3ksb n ASN 105 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ksb n GLY 106 N -0.53 -0.74 0.00 4.83 0.00 -1.26 -4.69 105.19 102.80 3ksb n GLY 106 Ca 0.39 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3ksb n GLY 106 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ksb n SER 107 N -1.41 0.00 0.18 1.61 3.41 -1.22 -4.94 113.62 111.24 3ksb n SER 107 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 3ksb n SER 107 Cb 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.06 3ksb n SER 107 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3ksb h MET 108 N 0.00 0.00 0.00 4.33 2.86 -1.96 -3.00 114.93 117.16 3ksb h MET 108 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3ksb h MET 108 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3ksb h MET 108 CO 0.00 0.11 0.00 -0.25 1.06 0.00 0.00 176.91 177.83 3ksb n ASP 109 N -3.05 0.00 0.00 1.22 9.92 -1.26 -1.92 116.55 121.45 3ksb n ASP 109 Ca 0.03 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 3ksb n ASP 109 Cb 0.58 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 3ksb n ASP 109 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ksb n GLY 110 N 0.64 1.78 3.40 0.44 0.00 -1.13 -4.34 105.19 105.96 3ksb n GLY 110 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3ksb n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ksb n ASP 111 N 0.00 -1.52 -4.81 1.61 3.85 -1.26 -4.77 116.55 109.65 3ksb n ASP 111 Ca 0.00 0.91 -0.36 0.00 -0.71 0.00 0.00 54.79 54.63 3ksb n ASP 111 Cb 0.00 -1.02 -0.06 0.00 -1.35 0.00 0.00 41.12 38.69 3ksb n ASP 111 CO 0.00 0.00 0.00 -2.16 -1.01 0.00 0.00 177.20 174.03 3ksb s PRO 112 N -1.31 4.30 0.57 0.11 0.05 -1.26 -3.44 135.00 134.01 3ksb s PRO 112 Ca 0.62 0.93 -0.21 0.00 0.05 0.00 0.00 61.00 62.39 3ksb s PRO 112 Cb -0.66 -2.89 -0.04 0.00 0.05 0.00 0.00 34.50 30.96 3ksb s PRO 112 CO 0.59 0.39 1.30 -2.14 0.05 0.00 0.00 177.00 177.19 3ksb s PRO 113 N -1.93 3.06 0.43 0.56 0.02 -1.26 -4.23 135.00 131.64 3ksb s PRO 113 Ca 0.43 2.07 -0.25 0.00 0.02 0.00 0.00 61.00 63.28 3ksb s PRO 113 Cb -0.17 -2.13 -0.08 0.00 0.02 0.00 0.00 34.50 32.14 3ksb s PRO 113 CO 0.21 -1.20 1.26 0.00 -0.33 0.00 0.00 177.00 176.94 3ksb s ALA 114 N -1.40 3.14 0.81 -1.55 0.00 0.19 -4.85 121.76 118.10 3ksb s ALA 114 Ca 0.74 1.15 -0.16 0.00 0.00 0.00 0.00 51.96 53.69 3ksb s ALA 114 Cb -0.37 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.25 3ksb s ALA 114 CO 0.42 -0.81 0.21 0.00 0.00 0.00 0.00 175.76 175.58 3ksb n ALA 115 N -0.12 -2.63 0.13 0.00 0.00 -1.26 -4.66 120.51 111.97 3ksb n ALA 115 Ca 0.05 -0.40 0.02 0.00 0.00 0.00 0.00 53.44 53.11 3ksb n ALA 115 Cb 0.45 -1.68 0.37 0.00 0.00 0.00 0.00 19.45 18.59 3ksb n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ksb h MET 116 N -0.78 0.18 0.00 0.00 -0.00 -1.93 -1.32 114.93 111.08 3ksb h MET 116 Ca -0.44 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.21 3ksb h MET 116 Cb 1.33 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.91 3ksb h MET 116 CO 0.37 0.40 0.00 2.89 -0.00 0.00 0.00 176.91 180.57 3ksb n ARG 117 N -4.21 0.16 -0.06 -0.10 0.00 -1.26 -2.68 116.66 108.50 3ksb n ARG 117 Ca -0.01 0.54 -0.03 0.00 -0.00 0.00 0.00 57.85 58.35 3ksb n ARG 117 Cb 0.32 -1.91 -0.01 0.00 -0.00 0.00 0.00 32.46 30.86 3ksb n ARG 117 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 3ksb h TYR 118 N 0.00 0.00 -3.51 2.89 0.05 -1.56 -3.49 116.97 111.35 3ksb h TYR 118 Ca 0.00 0.00 -0.43 0.00 0.05 0.00 0.00 58.73 58.35 3ksb h TYR 118 Cb 0.15 0.00 0.19 0.00 1.01 0.00 0.00 36.73 38.08 3ksb h TYR 118 CO 0.00 0.00 0.09 0.95 -1.05 0.00 0.00 178.16 178.15 3ksb s THR 119 N -1.98 1.88 0.00 -2.88 -4.23 -1.09 -4.94 115.64 102.41 3ksb s THR 119 Ca -0.10 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.40 3ksb s THR 119 Cb 0.01 -2.30 -0.01 0.00 1.34 0.00 0.00 72.50 71.55 3ksb s THR 119 CO 0.14 0.00 0.02 -1.61 -0.54 0.00 0.00 174.62 172.63 3ksb s GLU 120 N -4.85 0.17 0.05 3.99 2.02 -1.19 -3.02 118.70 115.87 3ksb s GLU 120 Ca 0.68 -0.22 -0.04 0.00 0.02 0.00 0.00 54.97 55.40 3ksb s GLU 120 Cb -0.19 0.06 -0.02 0.00 0.10 0.00 0.00 34.13 34.08 3ksb s GLU 120 CO 0.60 -0.03 0.06 0.00 0.02 0.00 0.00 175.26 175.91 3ksb s ALA 121 N -0.61 0.12 0.24 5.21 0.00 -0.76 -1.12 121.76 124.84 3ksb s ALA 121 Ca -0.07 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.12 3ksb s ALA 121 Cb -0.04 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 3ksb s ALA 121 CO -0.00 -0.35 0.19 -0.98 0.00 0.00 0.00 175.76 174.61 3ksb s ARG 122 N -3.14 1.38 0.28 0.00 1.70 -0.29 -2.22 118.95 116.66 3ksb s ARG 122 Ca -0.00 -1.73 -0.17 0.00 -0.47 0.00 0.00 55.73 53.35 3ksb s ARG 122 Cb 0.02 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.61 3ksb s ARG 122 CO -0.07 -0.48 0.74 -0.51 -1.08 0.00 0.00 175.30 173.90 3ksb s LEU 123 N -3.22 4.18 0.00 -1.89 1.43 -0.27 -1.20 118.68 117.72 3ksb s LEU 123 Ca 0.39 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 3ksb s LEU 123 Cb 0.05 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.39 3ksb s LEU 123 CO 0.16 -0.11 0.00 -1.54 0.23 0.00 0.00 176.35 175.10 3ksb n SER 124 N 0.10 -0.08 -0.02 2.29 3.41 -1.19 -1.45 113.62 116.68 3ksb n SER 124 Ca 0.01 -0.94 -0.05 0.00 -0.26 0.00 0.00 58.87 57.64 3ksb n SER 124 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 3ksb n SER 124 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3ksb h GLU 125 N 0.00 -0.08 -0.03 4.33 4.81 -1.93 -3.28 114.58 118.40 3ksb h GLU 125 Ca 0.00 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3ksb h GLU 125 Cb 0.00 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3ksb h GLU 125 CO 0.00 0.19 0.06 0.97 -0.73 0.00 0.00 179.01 179.50 3ksb h ILE 126 N -1.00 0.34 -0.94 2.32 2.10 -1.95 -1.26 117.51 117.11 3ksb h ILE 126 Ca -0.01 0.00 0.11 0.00 1.08 0.00 0.00 64.86 66.04 3ksb h ILE 126 Cb 0.30 0.95 -0.08 0.00 -1.09 0.00 0.00 36.82 36.91 3ksb h ILE 126 CO 0.01 0.00 0.58 0.00 -1.08 0.00 0.00 178.15 177.66 3ksb h ALA 127 N 1.92 1.39 -0.67 0.18 0.00 -1.83 -1.43 119.26 118.83 3ksb h ALA 127 Ca 0.02 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3ksb h ALA 127 Cb 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3ksb h ALA 127 CO -0.00 0.20 0.44 0.78 0.00 0.00 0.00 179.25 180.67 3ksb h GLY 128 N 0.94 0.92 1.93 0.00 0.00 -1.33 -1.23 103.07 104.29 3ksb h GLY 128 Ca 0.46 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.41 3ksb h GLY 128 CO -0.25 0.30 -0.21 -0.97 0.00 0.00 0.00 176.54 175.41 3ksb h TYR 129 N 0.84 0.09 -0.66 5.60 0.05 -1.38 0.45 116.97 121.96 3ksb h TYR 129 Ca 0.26 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.03 3ksb h TYR 129 Cb 0.00 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 3ksb h TYR 129 CO -0.00 0.29 0.43 -0.07 -1.05 0.00 0.00 178.16 177.76 3ksb h LEU 130 N 0.08 0.77 -0.34 3.88 3.38 -1.15 -1.69 115.31 120.24 3ksb h LEU 130 Ca 0.01 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3ksb h LEU 130 Cb 0.42 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3ksb h LEU 130 CO 0.03 0.57 -0.29 -0.07 0.09 0.00 0.00 178.44 178.77 3ksb h LEU 131 N 0.90 0.00 -9.11 1.67 3.38 -1.01 -0.70 115.31 110.43 3ksb h LEU 131 Ca 0.24 0.00 -0.77 0.00 0.09 0.00 0.00 57.88 57.44 3ksb h LEU 131 Cb -0.08 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.70 3ksb h LEU 131 CO -0.05 0.29 0.64 0.00 0.09 0.00 0.00 178.44 179.41 3ksb n GLN 132 N -3.23 0.71 -0.73 1.13 1.13 0.14 -0.75 117.38 115.78 3ksb n GLN 132 Ca 0.02 0.26 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 3ksb n GLN 132 Cb 0.59 -1.86 0.00 0.00 0.11 0.00 0.00 30.24 29.08 3ksb n GLN 132 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3ksb n ASP 133 N 3.92 -0.90 -0.16 1.08 3.85 -1.26 -4.75 116.55 118.33 3ksb n ASP 133 Ca 0.25 0.00 -0.03 0.00 -0.71 0.00 0.00 54.79 54.30 3ksb n ASP 133 Cb 0.09 -0.15 0.04 0.00 -1.35 0.00 0.00 41.12 39.74 3ksb n ASP 133 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 3ksb h ILE 134 N 0.00 0.43 0.00 2.12 6.09 -1.31 -1.69 117.51 123.15 3ksb h ILE 134 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3ksb h ILE 134 Cb 0.00 0.43 0.00 0.00 0.47 0.00 0.00 36.82 37.72 3ksb h ILE 134 CO 0.00 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 174.46 3ksb n GLU 135 N -5.39 0.43 -1.79 2.19 4.71 -1.26 -2.83 120.64 116.71 3ksb n GLU 135 Ca 0.05 0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 56.98 3ksb n GLU 135 Cb 0.29 -1.23 0.05 0.00 -1.01 0.00 0.00 31.44 29.53 3ksb n GLU 135 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 3ksb n LYS 136 N -0.73 3.30 -3.82 3.49 -0.00 -0.64 -4.98 118.16 114.79 3ksb n LYS 136 Ca 0.05 -3.98 -0.36 0.00 -0.00 0.00 0.00 58.31 54.02 3ksb n LYS 136 Cb 0.02 -2.21 0.03 0.00 -0.00 0.00 0.00 35.03 32.88 3ksb n LYS 136 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3ksb n LYS 137 N -0.78 -0.87 0.00 -1.58 5.02 -1.13 -4.50 118.16 114.32 3ksb n LYS 137 Ca 0.43 0.37 0.07 0.00 -2.02 0.00 0.00 58.31 57.16 3ksb n LYS 137 Cb 0.92 -3.45 0.00 0.00 -0.02 0.00 0.00 35.03 32.49 3ksb n LYS 137 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3ksb n THR 138 N -4.33 0.00 -3.59 -0.18 -2.24 -1.26 -4.56 114.28 98.11 3ksb n THR 138 Ca -0.11 -0.36 -0.15 0.00 -2.27 0.00 0.00 64.05 61.15 3ksb n THR 138 Cb 0.58 1.18 -0.07 0.00 -2.10 0.00 0.00 70.33 69.93 3ksb n THR 138 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ksb s VAL 139 N -1.71 0.00 0.10 2.28 0.11 -1.26 -4.42 120.40 115.50 3ksb s VAL 139 Ca 0.12 -0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.86 3ksb s VAL 139 Cb 0.12 -0.99 -0.10 0.00 -1.53 0.00 0.00 36.38 33.87 3ksb s VAL 139 CO 0.35 -0.00 1.83 -2.16 -3.33 0.00 0.00 175.10 171.79 3ksb s PRO 140 N -0.16 4.14 0.15 1.54 0.04 -1.26 -4.91 135.00 134.54 3ksb s PRO 140 Ca -0.04 2.57 0.03 0.00 0.04 0.00 0.00 61.00 63.60 3ksb s PRO 140 Cb -0.03 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 3ksb s PRO 140 CO 0.04 -0.85 0.20 -0.06 0.04 0.00 0.00 177.00 176.37 3ksb s PHE 141 N 3.06 3.32 0.45 0.56 0.40 -1.26 -1.43 117.98 123.08 3ksb s PHE 141 Ca 0.81 0.06 0.03 0.00 -0.60 0.00 0.00 56.93 57.24 3ksb s PHE 141 Cb -0.45 -1.60 -0.01 0.00 0.51 0.00 0.00 43.02 41.47 3ksb s PHE 141 CO 0.37 0.52 0.10 0.00 0.70 0.00 0.00 175.22 176.91 3ksb s ALA 142 N -1.71 3.37 0.47 5.36 0.00 0.34 -4.92 121.76 124.68 3ksb s ALA 142 Ca 0.33 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 51.38 3ksb s ALA 142 Cb -0.11 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 3ksb s ALA 142 CO 0.26 -0.25 0.78 -1.58 0.00 0.00 0.00 175.76 174.97 3ksb s TRP 143 N -3.09 3.56 0.82 0.00 0.52 -1.26 -0.66 118.94 118.83 3ksb s TRP 143 Ca 0.16 0.81 -0.14 0.00 0.02 0.00 0.00 56.10 56.96 3ksb s TRP 143 Cb 0.01 -2.30 0.19 0.00 -1.15 0.00 0.00 33.47 30.23 3ksb s TRP 143 CO 0.11 -0.26 1.12 0.27 0.02 0.00 0.00 176.95 178.21 3ksb n ASN 144 N -2.21 0.13 0.19 2.95 2.04 -0.01 -4.67 115.26 113.68 3ksb n ASN 144 Ca 0.00 -1.43 0.06 0.00 -0.44 0.00 0.00 54.58 52.77 3ksb n ASN 144 Cb 0.55 -0.85 0.55 0.00 -2.53 0.00 0.00 39.78 37.50 3ksb n ASN 144 CO 0.00 0.00 0.00 2.19 -0.44 0.00 0.00 177.26 179.01 3ksb h PHE 145 N -1.61 0.13 -0.01 -2.53 -5.15 -1.84 -2.43 116.94 103.50 3ksb h PHE 145 Ca -0.36 -0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.41 3ksb h PHE 145 Cb 1.01 -0.04 0.00 0.00 0.22 0.00 0.00 35.95 37.14 3ksb h PHE 145 CO 0.00 0.13 -0.29 -0.25 -2.00 0.00 0.00 178.31 175.90 3ksb n ASP 146 N -4.47 0.83 -0.98 -0.68 9.92 -1.26 -4.91 116.55 115.01 3ksb n ASP 146 Ca -0.01 -0.70 -0.13 0.00 -0.53 0.00 0.00 54.79 53.42 3ksb n ASP 146 Cb 0.13 0.13 -0.05 0.00 -0.64 0.00 0.00 41.12 40.68 3ksb n ASP 146 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3ksb n ASP 147 N -0.88 -4.79 0.02 -2.24 9.92 -0.92 -4.89 116.55 112.77 3ksb n ASP 147 Ca 0.11 0.32 0.11 0.00 -0.53 0.00 0.00 54.79 54.80 3ksb n ASP 147 Cb 0.34 -3.41 0.05 0.00 -0.64 0.00 0.00 41.12 37.45 3ksb n ASP 147 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3ksb n THR 148 N -2.55 0.11 -3.64 -3.53 -2.24 -1.26 -4.92 114.28 96.25 3ksb n THR 148 Ca -0.13 -0.15 -0.02 0.00 -2.27 0.00 0.00 64.05 61.48 3ksb n THR 148 Cb 0.46 0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 68.99 3ksb n THR 148 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ksb s GLU 149 N -3.13 0.07 0.03 -0.78 2.12 -1.26 -5.03 118.70 110.72 3ksb s GLU 149 Ca 0.06 0.01 -0.01 0.00 0.36 0.00 0.00 54.97 55.39 3ksb s GLU 149 Cb 0.15 0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.53 3ksb s GLU 149 CO 0.79 -0.02 0.20 -1.59 -0.54 0.00 0.00 175.26 174.10 3ksb s LYS 150 N -1.12 3.44 0.06 4.30 0.00 -1.26 -0.83 119.74 124.33 3ksb s LYS 150 Ca 0.09 -0.39 0.06 0.00 0.00 0.00 0.00 55.97 55.74 3ksb s LYS 150 Cb -0.01 -3.07 -0.03 0.00 0.00 0.00 0.00 37.83 34.73 3ksb s LYS 150 CO -0.07 0.64 -0.17 -2.00 0.00 0.00 0.00 175.35 173.74 3ksb s GLU 151 N -2.26 1.04 0.37 1.78 2.12 0.16 -4.91 118.70 117.01 3ksb s GLU 151 Ca 0.32 -0.94 -0.24 0.00 0.36 0.00 0.00 54.97 54.46 3ksb s GLU 151 Cb -0.13 -1.14 -0.10 0.00 0.26 0.00 0.00 34.13 33.02 3ksb s GLU 151 CO 0.24 0.27 0.96 -2.14 -0.54 0.00 0.00 175.26 174.05 3ksb s PRO 152 N -1.48 4.42 0.11 4.30 0.02 -1.26 -0.50 135.00 140.60 3ksb s PRO 152 Ca 0.03 1.28 0.23 0.00 0.02 0.00 0.00 61.00 62.56 3ksb s PRO 152 Cb -0.09 -2.56 0.15 0.00 0.02 0.00 0.00 34.50 32.01 3ksb s PRO 152 CO 0.02 0.13 1.13 0.25 -0.33 0.00 0.00 177.00 178.21 3ksb n THR 153 N 0.09 0.33 -3.73 0.99 -2.24 -0.52 -4.87 114.28 104.34 3ksb n THR 153 Ca 0.04 -0.33 -0.07 0.00 -2.27 0.00 0.00 64.05 61.42 3ksb n THR 153 Cb 0.51 -0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 3ksb n THR 153 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ksb s VAL 154 N -3.23 0.00 0.29 2.28 0.11 -1.26 -5.08 120.40 113.50 3ksb s VAL 154 Ca 0.03 -0.66 0.06 0.00 -2.93 0.00 0.00 61.98 58.48 3ksb s VAL 154 Cb 0.13 -1.73 -0.02 0.00 -1.53 0.00 0.00 36.38 33.23 3ksb s VAL 154 CO 0.77 0.00 0.40 -0.76 -3.33 0.00 0.00 175.10 172.18 3ksb s LEU 155 N -2.86 4.10 0.12 2.54 1.43 -1.26 -4.86 118.68 117.89 3ksb s LEU 155 Ca 0.09 -0.09 -0.26 0.00 -1.03 0.00 0.00 54.13 52.84 3ksb s LEU 155 Cb -0.04 -2.75 -0.06 0.00 0.03 0.00 0.00 46.19 43.37 3ksb s LEU 155 CO 0.01 -0.24 1.64 -0.65 0.23 0.00 0.00 176.35 177.34 3ksb h PRO 156 N 1.07 -0.38 -3.27 1.29 0.11 -1.80 -3.44 132.00 125.58 3ksb h PRO 156 Ca -0.49 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ksb h PRO 156 Cb 1.24 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3ksb h PRO 156 CO 0.57 -0.25 -0.01 0.00 -0.21 0.00 0.00 178.00 178.10 3ksb n ALA 157 N -2.62 -1.94 0.09 -0.75 0.00 -0.28 -4.79 120.51 110.22 3ksb n ALA 157 Ca -0.05 0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.48 3ksb n ALA 157 Cb 0.27 -0.24 0.51 0.00 0.00 0.00 0.00 19.45 19.99 3ksb n ALA 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ksb h ALA 158 N 0.10 1.84 -2.12 0.00 0.00 -1.52 -3.42 119.26 114.14 3ksb h ALA 158 Ca 0.00 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.35 3ksb h ALA 158 Cb 0.80 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.35 3ksb h ALA 158 CO 0.03 0.14 -0.71 -0.59 0.00 0.00 0.00 179.25 178.12 3ksb s PHE 159 N -5.33 2.08 -1.48 0.00 -0.71 -1.26 -4.83 117.98 106.45 3ksb s PHE 159 Ca -0.07 -0.53 -0.11 0.00 -1.04 0.00 0.00 56.93 55.18 3ksb s PHE 159 Cb 0.17 -1.06 -0.05 0.00 -1.21 0.00 0.00 43.02 40.87 3ksb s PHE 159 CO 0.71 0.48 2.61 -2.30 -1.34 0.00 0.00 175.22 175.38 3ksb n PRO 160 N -0.59 3.20 -0.30 1.99 -0.02 -1.26 -4.81 135.00 133.21 3ksb n PRO 160 Ca -0.06 -2.26 0.28 0.00 -2.02 0.00 0.00 63.50 59.45 3ksb n PRO 160 Cb 0.62 -2.94 0.52 0.00 -0.02 0.00 0.00 33.50 31.68 3ksb n PRO 160 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3ksb n ASN 161 N 4.63 0.28 0.31 2.55 5.15 -1.26 -2.74 115.26 124.18 3ksb n ASN 161 Ca 0.66 1.52 -0.18 0.00 -0.60 0.00 0.00 54.58 55.98 3ksb n ASN 161 Cb 0.28 -0.73 -0.10 0.00 -0.53 0.00 0.00 39.78 38.71 3ksb n ASN 161 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3ksb h LEU 162 N 0.00 -1.36 -0.68 1.20 6.46 -1.78 -0.79 115.31 118.36 3ksb h LEU 162 Ca 0.76 0.10 -0.09 0.00 -0.12 0.00 0.00 57.88 58.54 3ksb h LEU 162 Cb 1.98 0.44 -0.02 0.00 -0.73 0.00 0.00 40.66 42.33 3ksb h LEU 162 CO -0.72 -0.68 0.06 -0.07 -0.62 0.00 0.00 178.44 176.41 3ksb h LEU 163 N -1.03 1.05 0.40 2.25 3.38 -1.85 -1.54 115.31 117.97 3ksb h LEU 163 Ca -0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3ksb h LEU 163 Cb 0.88 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3ksb h LEU 163 CO -0.04 1.07 -0.38 0.58 0.09 0.00 0.00 178.44 179.75 3ksb h VAL 164 N 1.00 0.00 -0.35 1.22 2.07 -1.30 0.67 116.25 119.56 3ksb h VAL 164 Ca 0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 3ksb h VAL 164 Cb 0.49 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3ksb h VAL 164 CO 0.02 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.20 3ksb n ASN 165 N -4.73 2.24 -0.20 0.57 3.02 -0.34 0.29 115.26 116.12 3ksb n ASN 165 Ca -0.09 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 3ksb n ASN 165 Cb 0.35 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 3ksb n ASN 165 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ksb n GLY 166 N 1.21 0.21 0.00 7.41 0.00 -0.58 -4.61 105.19 108.82 3ksb n GLY 166 Ca 0.16 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3ksb n GLY 166 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ksb n SER 167 N -3.54 0.00 -3.80 1.61 2.88 -0.34 -4.87 113.62 105.55 3ksb n SER 167 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 3ksb n SER 167 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 3ksb n SER 167 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3ksb s THR 168 N -1.34 0.04 0.00 2.46 -4.23 -1.26 -0.79 115.64 110.52 3ksb s THR 168 Ca 0.00 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 3ksb s THR 168 Cb 0.00 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.37 3ksb s THR 168 CO 0.00 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 3ksb n GLY 169 N 2.02 0.00 2.67 3.99 0.00 -1.24 -5.04 105.19 107.59 3ksb n GLY 169 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 3ksb n GLY 169 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ksb s ILE 170 N 0.00 -0.13 0.33 -0.61 1.01 -1.26 -0.08 121.20 120.46 3ksb s ILE 170 Ca 0.00 0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.92 3ksb s ILE 170 Cb 0.00 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 42.13 3ksb s ILE 170 CO 0.00 0.02 0.31 -0.94 0.00 0.00 0.00 174.94 174.33 3ksb s SER 171 N 2.18 1.49 0.04 3.58 1.04 0.20 -4.74 113.70 117.48 3ksb s SER 171 Ca 0.04 -1.70 -0.30 0.00 0.48 0.00 0.00 55.95 54.47 3ksb s SER 171 Cb -0.13 0.57 -0.09 0.00 0.10 0.00 0.00 66.02 66.47 3ksb s SER 171 CO -0.06 -1.10 1.95 0.00 0.98 0.00 0.00 173.24 175.01 3ksb s ALA 172 N -3.38 3.59 0.00 5.32 0.00 -1.26 -3.31 121.76 122.71 3ksb s ALA 172 Ca 0.39 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.66 3ksb s ALA 172 Cb 0.02 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.30 3ksb s ALA 172 CO 0.26 -1.56 0.00 0.41 0.00 0.00 0.00 175.76 174.87 3ksb n GLY 173 N 4.52 1.89 3.29 0.00 0.00 -1.26 -4.88 105.19 108.75 3ksb n GLY 173 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 3ksb n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ksb s TYR 174 N 0.00 2.00 0.14 1.61 2.02 -1.21 -5.14 117.35 116.77 3ksb s TYR 174 Ca 0.00 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.33 3ksb s TYR 174 Cb 0.00 -1.18 -0.04 0.00 -0.40 0.00 0.00 41.96 40.34 3ksb s TYR 174 CO 0.00 0.13 -0.04 0.00 -1.57 0.00 0.00 175.55 174.07 3ksb s ALA 175 N -0.86 1.19 -0.01 3.71 0.00 -1.26 -0.63 121.76 123.91 3ksb s ALA 175 Ca 0.09 -1.47 -0.02 0.00 0.00 0.00 0.00 51.96 50.56 3ksb s ALA 175 Cb -0.09 0.32 -0.00 0.00 0.00 0.00 0.00 23.12 23.34 3ksb s ALA 175 CO 0.02 -0.26 0.04 -0.08 0.00 0.00 0.00 175.76 175.49 3ksb s THR 176 N -3.61 0.04 -0.05 0.00 -1.32 0.89 -4.73 115.64 106.86 3ksb s THR 176 Ca 0.18 -0.30 -0.01 0.00 -1.21 0.00 0.00 61.69 60.35 3ksb s THR 176 Cb 0.05 -0.17 0.03 0.00 -1.51 0.00 0.00 72.50 70.90 3ksb s THR 176 CO -0.00 -0.17 0.01 -1.81 -2.21 0.00 0.00 174.62 170.44 3ksb s ASP 177 N -0.50 1.04 -0.10 8.08 1.01 -0.01 -3.68 116.67 122.52 3ksb s ASP 177 Ca -0.06 -0.03 0.01 0.00 0.71 0.00 0.00 52.55 53.18 3ksb s ASP 177 Cb -0.04 -0.30 0.02 0.00 1.01 0.00 0.00 42.92 43.61 3ksb s ASP 177 CO -0.00 -0.16 -0.09 -0.63 0.21 0.00 0.00 175.17 174.50 3ksb s ILE 178 N 1.60 1.06 0.35 0.77 1.01 0.03 -1.80 121.20 124.23 3ksb s ILE 178 Ca -0.01 -0.36 -0.27 0.00 0.00 0.00 0.00 60.65 60.01 3ksb s ILE 178 Cb -0.13 -1.04 -0.09 0.00 0.01 0.00 0.00 42.46 41.21 3ksb s ILE 178 CO -0.03 0.36 1.19 -2.16 0.00 0.00 0.00 174.94 174.31 3ksb s PRO 179 N 1.33 4.27 0.92 2.79 0.05 -1.26 -1.20 135.00 141.89 3ksb s PRO 179 Ca -0.02 1.94 -0.11 0.00 0.05 0.00 0.00 61.00 62.86 3ksb s PRO 179 Cb -0.14 -2.90 0.12 0.00 0.05 0.00 0.00 34.50 31.63 3ksb s PRO 179 CO -0.04 -0.17 0.96 -2.30 0.05 0.00 0.00 177.00 175.50 3ksb n PRO 180 N 0.53 -0.39 -4.09 0.56 -0.02 -1.26 -4.06 135.00 126.27 3ksb n PRO 180 Ca 0.02 -0.05 -0.08 0.00 -2.02 0.00 0.00 63.50 61.36 3ksb n PRO 180 Cb 0.45 -2.25 -0.10 0.00 -0.02 0.00 0.00 33.50 31.58 3ksb n PRO 180 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3ksb s HIS 181 N -2.55 0.57 -0.69 6.00 3.76 0.15 -1.88 115.29 120.64 3ksb s HIS 181 Ca 0.65 -0.94 -0.26 0.00 -0.15 0.00 0.00 55.06 54.36 3ksb s HIS 181 Cb -0.23 -0.39 -0.06 0.00 1.11 0.00 0.00 32.58 33.01 3ksb s HIS 181 CO 0.60 -0.29 2.13 1.21 -0.85 0.00 0.00 174.74 177.54 3ksb s ASN 182 N -2.69 4.74 0.18 1.40 3.84 -1.26 -4.45 114.94 116.69 3ksb s ASN 182 Ca 0.04 0.22 -0.02 0.00 0.21 0.00 0.00 52.86 53.31 3ksb s ASN 182 Cb 0.04 -2.53 0.37 0.00 -0.55 0.00 0.00 41.25 38.58 3ksb s ASN 182 CO -0.07 -2.91 0.95 -0.11 -2.79 0.00 0.00 177.10 172.17 3ksb n LEU 183 N 15.10 -0.15 0.17 3.21 0.00 -1.26 -0.37 117.00 133.70 3ksb n LEU 183 Ca 0.35 1.04 -0.10 0.00 0.00 0.00 0.00 56.01 57.30 3ksb n LEU 183 Cb 0.50 -0.35 -0.05 0.00 0.00 0.00 0.00 43.42 43.52 3ksb n LEU 183 CO 0.65 -1.03 0.51 0.00 0.00 0.00 0.00 177.39 177.53 3ksb h ALA 184 N 1.22 -0.99 -0.82 1.96 0.00 -1.88 -2.17 119.26 116.57 3ksb h ALA 184 Ca 0.33 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.31 3ksb h ALA 184 Cb 0.60 0.47 -0.11 0.00 0.00 0.00 0.00 17.79 18.75 3ksb h ALA 184 CO -0.60 -1.00 0.32 0.93 0.00 0.00 0.00 179.25 178.90 3ksb h GLU 185 N -0.55 0.38 0.13 0.00 5.08 -1.02 -1.71 114.58 116.89 3ksb h GLU 185 Ca -0.04 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3ksb h GLU 185 Cb 0.47 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3ksb h GLU 185 CO -0.01 0.25 -0.21 0.28 -1.00 0.00 0.00 179.01 178.32 3ksb h VAL 186 N 0.39 0.53 -0.93 3.13 2.07 -0.93 -2.35 116.25 118.17 3ksb h VAL 186 Ca 0.48 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.04 3ksb h VAL 186 Cb 0.84 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 3ksb h VAL 186 CO -0.49 0.00 0.60 0.40 0.02 0.00 0.00 177.57 178.10 3ksb h ILE 187 N -0.40 1.14 -0.49 4.57 2.04 -0.72 -1.26 117.51 122.37 3ksb h ILE 187 Ca 0.02 -0.39 0.10 0.00 1.00 0.00 0.00 64.86 65.59 3ksb h ILE 187 Cb 0.42 -0.11 -0.09 0.00 -0.74 0.00 0.00 36.82 36.29 3ksb h ILE 187 CO -0.11 0.21 -0.13 0.44 0.00 0.00 0.00 178.15 178.56 3ksb h ASP 188 N 1.15 -0.49 -0.02 1.72 3.32 -0.84 0.14 116.42 121.39 3ksb h ASP 188 Ca 0.38 0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.59 3ksb h ASP 188 Cb 0.04 0.32 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3ksb h ASP 188 CO -0.13 -0.17 -0.02 0.00 -1.72 0.00 0.00 179.24 177.20 3ksb h ALA 189 N 1.46 0.00 -0.28 3.45 0.00 -0.85 -1.41 119.26 121.63 3ksb h ALA 189 Ca 0.24 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.22 3ksb h ALA 189 Cb 0.37 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 3ksb h ALA 189 CO -0.51 -0.51 -0.17 0.00 0.00 0.00 0.00 179.25 178.06 3ksb h ALA 190 N 1.00 0.04 -0.05 0.00 0.00 -0.05 -0.41 119.26 119.78 3ksb h ALA 190 Ca 0.02 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3ksb h ALA 190 Cb 0.05 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ksb h ALA 190 CO -0.04 -0.57 -0.06 0.28 0.00 0.00 0.00 179.25 178.86 3ksb h VAL 191 N -0.14 0.82 -0.26 0.00 2.07 -0.64 -0.98 116.25 117.12 3ksb h VAL 191 Ca 0.15 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 3ksb h VAL 191 Cb 0.37 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3ksb h VAL 191 CO -0.37 0.00 -0.09 0.22 0.02 0.00 0.00 177.57 177.36 3ksb h TYR 192 N -0.09 -0.20 -0.88 1.57 5.03 -0.43 -0.10 116.97 121.87 3ksb h TYR 192 Ca 0.04 0.03 0.10 0.00 2.58 0.00 0.00 58.73 61.48 3ksb h TYR 192 Cb 0.15 0.13 -0.06 0.00 1.55 0.00 0.00 36.73 38.49 3ksb h TYR 192 CO -0.16 -0.14 0.57 0.52 -1.32 0.00 0.00 178.16 177.63 3ksb h MET 193 N -0.03 0.81 -0.85 1.82 2.86 -0.79 0.83 114.93 119.57 3ksb h MET 193 Ca 0.13 -0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.81 3ksb h MET 193 Cb 0.24 -0.18 -0.07 0.00 0.06 0.00 0.00 31.60 31.64 3ksb h MET 193 CO -0.29 0.54 0.51 0.82 1.06 0.00 0.00 176.91 179.54 3ksb h ILE 194 N 0.83 0.95 0.13 -1.22 2.04 0.36 0.14 117.51 120.75 3ksb h ILE 194 Ca 0.41 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 3ksb h ILE 194 Cb 0.46 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3ksb h ILE 194 CO -0.18 0.16 -0.06 0.44 0.00 0.00 0.00 178.15 178.51 3ksb h ASP 195 N 0.87 -0.15 -2.82 1.72 3.32 -0.84 -3.40 116.42 115.12 3ksb h ASP 195 Ca 0.40 -0.19 -0.80 0.00 0.02 0.00 0.00 57.03 56.46 3ksb h ASP 195 Cb 0.31 0.04 -0.29 0.00 0.22 0.00 0.00 39.33 39.61 3ksb h ASP 195 CO -0.22 0.41 0.71 1.41 -1.72 0.00 0.00 179.24 179.82 3ksb n HIS 196 N -4.87 2.35 -0.31 4.55 8.25 0.18 -4.93 115.22 120.45 3ksb n HIS 196 Ca -0.04 -2.67 0.13 0.00 -0.26 0.00 0.00 57.72 54.88 3ksb n HIS 196 Cb 0.16 -1.20 0.31 0.00 1.12 0.00 0.00 29.99 30.39 3ksb n HIS 196 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3ksb h PRO 197 N 5.24 0.43 -1.84 -0.41 0.11 -1.19 -2.15 132.00 132.19 3ksb h PRO 197 Ca 0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3ksb h PRO 197 Cb 0.59 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3ksb h PRO 197 CO 1.29 0.28 0.00 0.25 -0.21 0.00 0.00 178.00 179.62 3ksb n THR 198 N -5.01 0.72 -2.57 -1.15 -2.24 -1.26 -4.87 114.28 97.89 3ksb n THR 198 Ca 0.22 -0.14 -0.41 0.00 -2.27 0.00 0.00 64.05 61.45 3ksb n THR 198 Cb 0.65 -1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 67.81 3ksb n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ksb s ALA 199 N 0.91 3.32 0.35 6.98 0.00 -0.81 -5.04 121.76 127.48 3ksb s ALA 199 Ca 0.00 0.73 -0.18 0.00 0.00 0.00 0.00 51.96 52.51 3ksb s ALA 199 Cb 0.00 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 3ksb s ALA 199 CO 0.00 -0.19 0.82 0.15 0.00 0.00 0.00 175.76 176.54 3ksb s LYS 200 N 0.05 4.15 0.19 0.00 3.01 -1.26 -4.98 119.74 120.90 3ksb s LYS 200 Ca 0.50 0.89 -0.12 0.00 -1.01 0.00 0.00 55.97 56.23 3ksb s LYS 200 Cb -0.27 -2.43 0.21 0.00 -1.01 0.00 0.00 37.83 34.33 3ksb s LYS 200 CO 0.32 0.13 1.72 0.82 0.51 0.00 0.00 175.35 178.86 3ksb h ILE 201 N 2.08 0.73 -0.74 2.17 2.04 -1.98 -2.37 117.51 119.45 3ksb h ILE 201 Ca -0.48 -0.10 0.17 0.00 1.00 0.00 0.00 64.86 65.45 3ksb h ILE 201 Cb 1.18 0.43 -0.12 0.00 -0.74 0.00 0.00 36.82 37.57 3ksb h ILE 201 CO 0.64 0.05 0.11 0.44 0.00 0.00 0.00 178.15 179.39 3ksb h ASP 202 N 0.28 -0.13 -0.39 1.72 3.32 -1.99 0.49 116.42 119.72 3ksb h ASP 202 Ca 0.26 0.17 -0.14 0.00 0.02 0.00 0.00 57.03 57.34 3ksb h ASP 202 Cb 0.35 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3ksb h ASP 202 CO -0.32 -0.10 -0.33 0.11 -1.72 0.00 0.00 179.24 176.88 3ksb h LYS 203 N 0.19 0.90 -0.70 3.56 6.56 -1.92 -2.94 116.57 122.23 3ksb h LYS 203 Ca 0.42 -0.45 0.05 0.00 -1.06 0.00 0.00 60.65 59.60 3ksb h LYS 203 Cb 0.73 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 32.35 3ksb h LYS 203 CO -0.57 1.11 0.46 -0.07 -2.06 0.00 0.00 179.45 178.32 3ksb h LEU 204 N 0.71 0.68 -1.37 2.94 3.38 -0.10 -1.58 115.31 119.97 3ksb h LEU 204 Ca 0.07 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3ksb h LEU 204 Cb 0.91 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 3ksb h LEU 204 CO 0.08 0.45 0.44 0.24 0.09 0.00 0.00 178.44 179.74 3ksb h MET 205 N 0.78 0.81 -0.93 1.13 2.86 -0.02 0.02 114.93 119.58 3ksb h MET 205 Ca 0.29 -0.05 0.15 0.00 -2.06 0.00 0.00 59.70 58.04 3ksb h MET 205 Cb 0.18 -0.18 -0.08 0.00 0.06 0.00 0.00 31.60 31.58 3ksb h MET 205 CO -0.09 0.54 0.59 0.93 1.06 0.00 0.00 176.91 179.94 3ksb h GLU 206 N 0.84 0.70 0.00 1.72 3.07 -1.21 -2.60 114.58 117.09 3ksb h GLU 206 Ca 0.26 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 3ksb h GLU 206 Cb 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.76 3ksb h GLU 206 CO -0.07 0.46 0.00 1.19 -1.40 0.00 0.00 179.01 179.19 3ksb n PHE 207 N -4.59 0.00 -2.73 4.33 3.01 -0.18 -4.72 117.46 112.58 3ksb n PHE 207 Ca 0.19 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.22 3ksb n PHE 207 Cb 0.49 -0.32 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 3ksb n PHE 207 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3ksb s LEU 208 N -3.30 4.07 0.00 4.37 1.02 -0.23 -4.80 118.68 119.82 3ksb s LEU 208 Ca 0.00 -1.30 0.30 0.00 0.02 0.00 0.00 54.13 53.15 3ksb s LEU 208 Cb 0.00 -2.48 1.50 0.00 0.02 0.00 0.00 46.19 45.23 3ksb s LEU 208 CO 0.00 -1.44 2.02 -2.65 0.02 0.00 0.00 176.35 174.30 3ksb n PRO 209 N 8.07 0.71 0.00 1.29 -0.02 -0.98 -4.15 135.00 139.92 3ksb n PRO 209 Ca 0.15 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3ksb n PRO 209 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 3ksb n PRO 209 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ksb n GLY 210 N 1.21 3.26 3.69 -1.23 0.00 -1.26 -5.03 105.19 105.82 3ksb n GLY 210 Ca 0.17 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 3ksb n GLY 210 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ksb n PRO 211 N -1.84 1.79 -3.79 1.61 -0.02 -1.26 -4.75 135.00 126.74 3ksb n PRO 211 Ca 0.00 0.64 -0.37 0.00 -2.02 0.00 0.00 63.50 61.75 3ksb n PRO 211 Cb 0.00 -2.33 -0.13 0.00 -0.02 0.00 0.00 33.50 31.02 3ksb n PRO 211 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3ksb s ASP 212 N -0.61 5.08 0.25 2.55 2.15 -0.79 -4.88 116.67 120.42 3ksb s ASP 212 Ca 0.62 -0.92 -0.20 0.00 0.43 0.00 0.00 52.55 52.49 3ksb s ASP 212 Cb -0.51 -1.84 -0.09 0.00 -0.30 0.00 0.00 42.92 40.19 3ksb s ASP 212 CO 0.57 -0.24 0.75 -0.36 -0.17 0.00 0.00 175.17 175.72 3ksb s PHE 213 N 1.43 3.60 0.14 -5.34 0.08 -1.26 -3.57 117.98 113.07 3ksb s PHE 213 Ca 0.00 1.40 0.30 0.00 0.12 0.00 0.00 56.93 58.75 3ksb s PHE 213 Cb -0.18 -2.64 1.23 0.00 -0.57 0.00 0.00 43.02 40.86 3ksb s PHE 213 CO 0.01 0.28 1.94 -1.35 -0.10 0.00 0.00 175.22 176.00 3ksb h PRO 214 N 3.19 0.00 -0.80 0.24 0.11 -1.88 -2.76 132.00 130.10 3ksb h PRO 214 Ca -0.48 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 3ksb h PRO 214 Cb 1.19 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 3ksb h PRO 214 CO 0.65 0.09 0.15 0.25 -0.21 0.00 0.00 178.00 178.93 3ksb n THR 215 N -3.24 2.19 0.00 -1.15 -2.24 -1.26 -4.90 114.28 103.69 3ksb n THR 215 Ca 0.00 -1.13 0.00 0.00 -2.27 0.00 0.00 64.05 60.65 3ksb n THR 215 Cb 0.34 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 3ksb n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ksb n GLY 216 N 0.08 4.03 0.01 3.38 0.00 -1.04 -4.18 105.19 107.47 3ksb n GLY 216 Ca 0.28 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.49 3ksb n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksb n ALA 217 N 12.54 -0.03 -3.06 4.61 0.00 -1.26 -4.16 120.51 129.15 3ksb n ALA 217 Ca 0.00 0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.12 3ksb n ALA 217 Cb 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 19.45 19.29 3ksb n ALA 217 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ksb s ILE 218 N -1.71 3.04 -0.15 0.00 1.01 -0.33 -1.98 121.20 121.07 3ksb s ILE 218 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.99 3ksb s ILE 218 Cb 0.00 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.20 3ksb s ILE 218 CO 0.00 0.53 -0.17 -0.63 0.00 0.00 0.00 174.94 174.66 3ksb s ILE 219 N 0.31 2.49 -0.09 2.92 1.01 0.46 -0.08 121.20 128.22 3ksb s ILE 219 Ca -0.10 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.72 3ksb s ILE 219 Cb -0.16 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.30 3ksb s ILE 219 CO 0.06 0.53 -0.09 -1.10 0.00 0.00 0.00 174.94 174.33 3ksb s GLN 220 N 0.77 1.50 0.00 2.79 -1.52 0.09 -0.28 119.66 123.02 3ksb s GLN 220 Ca -0.07 -0.29 0.00 0.00 -1.95 0.00 0.00 55.36 53.05 3ksb s GLN 220 Cb -0.16 -1.43 0.00 0.00 -0.22 0.00 0.00 33.01 31.20 3ksb s GLN 220 CO 0.00 -0.14 0.00 0.41 -0.25 0.00 0.00 175.29 175.31 3ksb n GLY 221 N 4.43 -0.02 0.30 3.09 0.00 -1.26 -1.66 105.19 110.06 3ksb n GLY 221 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.96 3ksb n GLY 221 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ksb h ARG 222 N 0.00 0.20 0.58 1.61 2.47 -1.92 0.67 114.38 117.99 3ksb h ARG 222 Ca 0.00 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 3ksb h ARG 222 Cb 0.00 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 3ksb h ARG 222 CO 0.00 0.13 -0.48 0.38 0.56 0.00 0.00 179.97 180.56 3ksb h ASP 223 N 0.21 -1.30 -0.32 7.04 2.03 -1.98 -1.14 116.42 120.97 3ksb h ASP 223 Ca 0.53 0.09 -0.01 0.00 -0.73 0.00 0.00 57.03 56.92 3ksb h ASP 223 Cb 1.06 0.41 -0.02 0.00 -0.83 0.00 0.00 39.33 39.95 3ksb h ASP 223 CO -0.65 -0.67 0.18 1.05 -1.03 0.00 0.00 179.24 178.12 3ksb h GLU 224 N -1.04 0.47 -0.13 4.15 -0.00 -1.66 -2.33 114.58 114.04 3ksb h GLU 224 Ca -0.07 -0.04 0.02 0.00 -0.00 0.00 0.00 59.36 59.26 3ksb h GLU 224 Cb 0.87 -0.10 -0.02 0.00 -0.00 0.00 0.00 28.75 29.50 3ksb h GLU 224 CO -0.01 0.36 -0.00 0.82 -0.00 0.00 0.00 179.01 180.18 3ksb h ILE 225 N 0.48 0.91 -0.58 -1.06 2.04 -0.46 -0.06 117.51 118.77 3ksb h ILE 225 Ca 0.12 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 66.06 3ksb h ILE 225 Cb 0.04 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 3ksb h ILE 225 CO -0.02 0.01 0.20 0.11 0.00 0.00 0.00 178.15 178.45 3ksb h LYS 226 N 0.04 0.36 -0.66 2.37 1.79 -0.70 0.77 116.57 120.54 3ksb h LYS 226 Ca 0.06 -0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.59 3ksb h LYS 226 Cb 0.07 -0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 30.58 3ksb h LYS 226 CO -0.11 0.24 0.33 1.57 -1.08 0.00 0.00 179.45 180.40 3ksb h LYS 227 N 0.37 0.57 0.14 3.15 5.09 -0.93 0.53 116.57 125.48 3ksb h LYS 227 Ca 0.29 -0.03 -0.01 0.00 0.09 0.00 0.00 60.65 61.00 3ksb h LYS 227 Cb 0.37 -0.13 -0.00 0.00 0.10 0.00 0.00 32.23 32.57 3ksb h LYS 227 CO -0.31 0.37 -0.08 0.00 -2.09 0.00 0.00 179.45 177.35 3ksb h ALA 228 N 1.39 -0.20 -0.27 0.07 0.00 0.35 0.21 119.26 120.81 3ksb h ALA 228 Ca 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3ksb h ALA 228 Cb 0.29 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3ksb h ALA 228 CO -0.24 -0.61 0.04 1.88 0.00 0.00 0.00 179.25 180.32 3ksb h TYR 229 N -0.20 0.40 0.12 0.00 0.05 -0.04 0.43 116.97 117.73 3ksb h TYR 229 Ca -0.02 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 3ksb h TYR 229 Cb 0.16 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.78 3ksb h TYR 229 CO -0.08 0.38 -0.06 0.93 -1.05 0.00 0.00 178.16 178.29 3ksb h GLU 230 N 0.39 -0.15 0.09 4.88 3.07 0.32 -0.58 114.58 122.61 3ksb h GLU 230 Ca 0.09 0.01 -0.28 0.00 -0.50 0.00 0.00 59.36 58.69 3ksb h GLU 230 Cb 0.20 0.03 0.02 0.00 -0.84 0.00 0.00 28.75 28.17 3ksb h GLU 230 CO 0.00 -0.10 -1.17 1.79 -1.40 0.00 0.00 179.01 178.13 3ksb h THR 231 N -0.41 1.35 0.00 1.13 1.35 -0.66 -3.37 112.91 112.31 3ksb h THR 231 Ca -0.02 -2.56 0.00 0.00 -0.55 0.00 0.00 66.41 63.29 3ksb h THR 231 Cb 0.12 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 3ksb h THR 231 CO 0.03 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 3ksb n GLY 232 N 1.29 0.84 3.16 5.82 0.00 0.15 -4.35 105.19 112.11 3ksb n GLY 232 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 3ksb n GLY 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ksb s LYS 233 N -0.43 1.24 0.03 1.61 1.02 -1.24 -0.49 119.74 121.48 3ksb s LYS 233 Ca 0.00 -0.69 -0.28 0.00 0.02 0.00 0.00 55.97 55.02 3ksb s LYS 233 Cb 0.00 -1.24 0.09 0.00 -0.52 0.00 0.00 37.83 36.16 3ksb s LYS 233 CO 0.00 0.33 0.97 0.20 -0.92 0.00 0.00 175.35 175.93 3ksb s GLY 234 N -0.70 -0.37 -0.05 -3.33 0.00 -1.09 -2.73 107.32 99.06 3ksb s GLY 234 Ca 0.05 0.75 0.04 0.00 0.00 0.00 0.00 44.72 45.57 3ksb s GLY 234 CO 0.00 0.23 -0.17 0.50 0.00 0.00 0.00 173.10 173.66 3ksb s ARG 235 N -3.05 1.85 0.19 2.90 0.52 -1.26 -0.67 118.95 119.43 3ksb s ARG 235 Ca 0.08 -0.60 0.08 0.00 -0.52 0.00 0.00 55.73 54.78 3ksb s ARG 235 Cb -0.01 -1.58 -0.04 0.00 0.52 0.00 0.00 34.95 33.84 3ksb s ARG 235 CO -0.05 0.21 -0.16 0.08 0.02 0.00 0.00 175.30 175.41 3ksb s VAL 236 N 0.15 1.77 -0.09 3.52 1.01 -0.52 -4.64 120.40 121.60 3ksb s VAL 236 Ca -0.06 -2.11 -0.03 0.00 0.00 0.00 0.00 61.98 59.78 3ksb s VAL 236 Cb -0.12 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3ksb s VAL 236 CO 0.03 -0.50 0.02 -0.69 0.00 0.00 0.00 175.10 173.95 3ksb s VAL 237 N -2.65 4.43 -0.12 2.92 1.01 -0.67 -1.26 120.40 124.06 3ksb s VAL 237 Ca 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3ksb s VAL 237 Cb -0.03 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.50 3ksb s VAL 237 CO 0.07 0.60 -0.11 -0.69 0.00 0.00 0.00 175.10 174.96 3ksb s VAL 238 N -0.82 1.30 -0.11 2.92 1.01 0.01 -0.73 120.40 123.98 3ksb s VAL 238 Ca 0.13 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.66 3ksb s VAL 238 Cb -0.11 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.02 3ksb s VAL 238 CO 0.02 0.41 -0.22 0.00 0.00 0.00 0.00 175.10 175.31 3ksb s ARG 239 N 1.45 2.88 0.73 2.72 1.70 0.88 -1.59 118.95 127.73 3ksb s ARG 239 Ca 0.02 -0.82 -0.16 0.00 -0.47 0.00 0.00 55.73 54.30 3ksb s ARG 239 Cb -0.13 -2.23 -0.05 0.00 -0.57 0.00 0.00 34.95 31.97 3ksb s ARG 239 CO -0.07 0.11 0.41 -1.13 -1.08 0.00 0.00 175.30 173.54 3ksb n SER 240 N 3.71 -1.64 -4.61 -2.89 3.41 -0.14 -1.19 113.62 110.26 3ksb n SER 240 Ca -0.20 0.56 -0.39 0.00 -0.26 0.00 0.00 58.87 58.59 3ksb n SER 240 Cb 0.52 -1.17 -0.09 0.00 -0.26 0.00 0.00 64.21 63.22 3ksb n SER 240 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3ksb s LYS 241 N -2.63 4.04 -0.07 4.33 2.20 -1.00 -4.77 119.74 121.83 3ksb s LYS 241 Ca 0.63 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 3ksb s LYS 241 Cb -0.35 -3.65 -0.03 0.00 -1.51 0.00 0.00 37.83 32.30 3ksb s LYS 241 CO 0.60 -0.28 -0.05 0.95 -0.36 0.00 0.00 175.35 176.22 3ksb s THR 242 N 2.07 3.88 0.06 3.43 -4.23 -1.26 -2.74 115.64 116.84 3ksb s THR 242 Ca 0.16 -0.41 0.05 0.00 -1.18 0.00 0.00 61.69 60.32 3ksb s THR 242 Cb -0.16 -2.60 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 3ksb s THR 242 CO 0.10 0.60 -0.15 -1.61 -0.54 0.00 0.00 174.62 173.01 3ksb s GLU 243 N -0.82 0.93 -0.18 3.99 8.01 -0.21 -5.00 118.70 125.41 3ksb s GLU 243 Ca 0.13 -0.90 -0.01 0.00 0.01 0.00 0.00 54.97 54.20 3ksb s GLU 243 Cb -0.11 -0.98 0.00 0.00 -4.31 0.00 0.00 34.13 28.73 3ksb s GLU 243 CO 0.02 0.23 -0.13 0.96 0.01 0.00 0.00 175.26 176.35 3ksb s ILE 244 N -1.06 2.75 0.05 -1.63 -0.00 -1.26 -0.34 121.20 119.71 3ksb s ILE 244 Ca 0.01 -0.72 0.07 0.00 -0.00 0.00 0.00 60.65 60.01 3ksb s ILE 244 Cb -0.09 -2.19 -0.03 0.00 -0.00 0.00 0.00 42.46 40.14 3ksb s ILE 244 CO 0.02 0.49 -0.18 -1.61 -0.00 0.00 0.00 174.94 173.66 3ksb s GLU 245 N 1.15 2.04 -0.46 0.37 2.02 -1.26 -4.97 118.70 117.59 3ksb s GLU 245 Ca 0.01 -1.00 0.03 0.00 0.02 0.00 0.00 54.97 54.03 3ksb s GLU 245 Cb -0.14 -2.18 0.13 0.00 0.10 0.00 0.00 34.13 32.04 3ksb s GLU 245 CO -0.05 0.53 0.22 -1.59 0.02 0.00 0.00 175.26 174.40 3ksb s LYS 246 N -1.50 1.59 0.00 1.61 0.00 -1.26 -4.67 119.74 115.51 3ksb s LYS 246 Ca 0.15 -2.21 0.00 0.00 0.00 0.00 0.00 55.97 53.90 3ksb s LYS 246 Cb -0.10 -2.86 0.00 0.00 0.00 0.00 0.00 37.83 34.87 3ksb s LYS 246 CO 0.06 -1.10 0.00 0.94 0.00 0.00 0.00 175.35 175.24 3ksb n GLN 253 N 3.51 0.00 -3.97 1.78 7.27 -1.26 -5.27 117.38 119.43 3ksb n GLN 253 Ca 0.06 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.78 3ksb n GLN 253 Cb 0.35 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.86 3ksb n GLN 253 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3ksb s ILE 254 N -0.73 3.72 -0.17 1.69 1.01 -0.29 -4.33 121.20 122.10 3ksb s ILE 254 Ca 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.23 3ksb s ILE 254 Cb 0.00 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 3ksb s ILE 254 CO 0.00 0.41 -0.04 -0.69 0.00 0.00 0.00 174.94 174.62 3ksb s VAL 255 N 1.31 3.74 -0.16 2.92 1.01 0.54 -0.82 120.40 128.93 3ksb s VAL 255 Ca 0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 3ksb s VAL 255 Cb -0.15 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 3ksb s VAL 255 CO -0.00 0.47 -0.10 -0.63 0.00 0.00 0.00 175.10 174.84 3ksb s ILE 256 N 0.71 3.16 -0.03 2.22 1.01 -0.15 -1.05 121.20 127.08 3ksb s ILE 256 Ca -0.02 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.07 3ksb s ILE 256 Cb -0.14 -2.37 0.06 0.00 0.01 0.00 0.00 42.46 40.02 3ksb s ILE 256 CO 0.02 0.49 0.90 0.35 0.00 0.00 0.00 174.94 176.70 3ksb n THR 257 N 3.95 0.62 -3.64 2.92 -2.24 -1.11 -1.45 114.28 113.33 3ksb n THR 257 Ca -0.18 -0.70 -0.11 0.00 -2.27 0.00 0.00 64.05 60.79 3ksb n THR 257 Cb 0.52 0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 69.15 3ksb n THR 257 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ksb s GLU 258 N -0.84 0.61 0.37 -0.78 8.01 -1.26 -4.71 118.70 120.10 3ksb s GLU 258 Ca 0.07 0.74 0.04 0.00 0.01 0.00 0.00 54.97 55.83 3ksb s GLU 258 Cb 0.06 0.29 -0.05 0.00 -4.31 0.00 0.00 34.13 30.12 3ksb s GLU 258 CO 0.01 -0.07 0.06 0.96 0.01 0.00 0.00 175.26 176.23 3ksb s ILE 259 N 0.32 1.14 0.15 -1.63 -4.36 -1.26 -2.37 121.20 113.20 3ksb s ILE 259 Ca 0.02 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.10 3ksb s ILE 259 Cb -0.05 -2.66 -0.07 0.00 1.25 0.00 0.00 42.46 40.93 3ksb s ILE 259 CO -0.04 0.00 1.23 -2.84 0.24 0.00 0.00 174.94 173.52 3ksb s PRO 260 N -3.83 4.45 0.22 0.37 0.02 -1.26 -4.50 135.00 130.48 3ksb s PRO 260 Ca 0.31 1.88 -0.10 0.00 0.02 0.00 0.00 61.00 63.11 3ksb s PRO 260 Cb 0.07 -3.26 -0.08 0.00 0.02 0.00 0.00 34.50 31.25 3ksb s PRO 260 CO 0.14 -0.18 -0.00 0.98 -0.33 0.00 0.00 177.00 177.61 3ksb n TYR 261 N 3.00 -1.23 -1.50 6.54 9.36 -1.26 -2.04 117.16 130.03 3ksb n TYR 261 Ca 0.06 0.27 -0.18 0.00 3.32 0.00 0.00 57.90 61.38 3ksb n TYR 261 Cb 0.45 -0.87 -0.08 0.00 -0.63 0.00 0.00 39.34 38.21 3ksb n TYR 261 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3ksb n GLU 262 N 0.70 -1.48 -4.58 2.98 1.02 -1.26 -4.94 120.64 113.08 3ksb n GLU 262 Ca 0.05 1.08 -0.31 0.00 -0.02 0.00 0.00 57.16 57.96 3ksb n GLU 262 Cb 0.22 -5.44 -0.12 0.00 -0.02 0.00 0.00 31.44 26.08 3ksb n GLU 262 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3ksb s ILE 263 N -2.48 2.98 -1.02 -3.67 -1.16 -0.87 -5.08 121.20 109.91 3ksb s ILE 263 Ca 0.00 -1.13 -0.15 0.00 -0.51 0.00 0.00 60.65 58.86 3ksb s ILE 263 Cb 0.00 -2.28 0.19 0.00 0.61 0.00 0.00 42.46 40.98 3ksb s ILE 263 CO 0.00 0.32 1.13 0.21 -2.81 0.00 0.00 174.94 173.79 3ksb s ASN 264 N -1.51 6.91 0.19 4.50 3.84 -1.26 -4.94 114.94 122.67 3ksb s ASN 264 Ca 0.16 -2.74 0.04 0.00 0.21 0.00 0.00 52.86 50.53 3ksb s ASN 264 Cb -0.11 -2.32 0.53 0.00 -0.55 0.00 0.00 41.25 38.80 3ksb s ASN 264 CO 0.06 -0.72 0.93 1.17 -2.79 0.00 0.00 177.10 175.75 3ksb n LYS 265 N 5.02 -0.04 0.15 0.43 4.81 -0.81 -1.15 118.16 126.56 3ksb n LYS 265 Ca 0.25 0.87 -0.06 0.00 -0.87 0.00 0.00 58.31 58.50 3ksb n LYS 265 Cb 0.45 -1.42 -0.03 0.00 0.02 0.00 0.00 35.03 34.05 3ksb n LYS 265 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ksb h ALA 266 N 1.19 -1.05 -0.82 3.14 0.00 -1.76 -1.82 119.26 118.14 3ksb h ALA 266 Ca 0.39 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.26 3ksb h ALA 266 Cb 0.87 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 3ksb h ALA 266 CO -0.54 -1.03 0.54 -0.91 0.00 0.00 0.00 179.25 177.32 3ksb h ASN 267 N -0.40 0.85 -0.56 0.00 -0.26 -1.62 -1.77 115.58 111.81 3ksb h ASN 267 Ca -0.04 -0.00 0.11 0.00 -0.56 0.00 0.00 56.30 55.81 3ksb h ASN 267 Cb 0.32 -0.19 -0.09 0.00 -1.06 0.00 0.00 38.32 37.30 3ksb h ASN 267 CO 0.05 0.57 0.04 0.25 -1.06 0.00 0.00 177.43 177.27 3ksb h LEU 268 N 0.97 -0.17 -0.17 1.61 7.12 -1.04 0.44 115.31 124.07 3ksb h LEU 268 Ca 0.34 0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.48 3ksb h LEU 268 Cb 0.11 0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.45 3ksb h LEU 268 CO -0.11 -0.06 0.11 0.58 -0.13 0.00 0.00 178.44 178.83 3ksb h VAL 269 N 0.16 1.04 -0.74 1.05 2.07 -0.43 -2.13 116.25 117.26 3ksb h VAL 269 Ca 0.29 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.78 3ksb h VAL 269 Cb 0.45 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 3ksb h VAL 269 CO -0.44 0.04 0.45 0.11 0.02 0.00 0.00 177.57 177.75 3ksb h LYS 270 N 0.22 0.84 -0.59 1.57 6.56 -1.01 -1.63 116.57 122.53 3ksb h LYS 270 Ca 0.06 -0.05 0.02 0.00 -1.06 0.00 0.00 60.65 59.62 3ksb h LYS 270 Cb -0.02 -0.19 -0.03 0.00 -0.57 0.00 0.00 32.23 31.42 3ksb h LYS 270 CO -0.02 0.56 0.39 0.87 -2.06 0.00 0.00 179.45 179.19 3ksb h LYS 271 N 0.86 0.74 0.11 3.15 1.79 -0.75 0.26 116.57 122.73 3ksb h LYS 271 Ca 0.31 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.73 3ksb h LYS 271 Cb 0.08 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 3ksb h LYS 271 CO -0.14 0.49 -0.05 0.82 -1.08 0.00 0.00 179.45 179.49 3ksb h ILE 272 N 0.77 1.03 -0.15 1.86 2.04 -0.65 -2.87 117.51 119.53 3ksb h ILE 272 Ca 0.22 -0.52 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 3ksb h ILE 272 Cb -0.03 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3ksb h ILE 272 CO -0.05 0.13 -0.16 0.44 0.00 0.00 0.00 178.15 178.51 3ksb h ASP 273 N -0.39 0.23 -0.52 1.72 3.45 -0.87 -1.13 116.42 118.91 3ksb h ASP 273 Ca -0.01 -0.05 0.05 0.00 0.43 0.00 0.00 57.03 57.44 3ksb h ASP 273 Cb 0.32 -0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 39.00 3ksb h ASP 273 CO 0.02 0.41 0.35 -2.24 -1.57 0.00 0.00 179.24 176.22 3ksb h ASP 274 N 0.23 0.46 -0.27 6.45 -0.00 -0.50 -1.20 116.42 121.59 3ksb h ASP 274 Ca 0.05 -0.00 0.02 0.00 -0.00 0.00 0.00 57.03 57.09 3ksb h ASP 274 Cb 0.42 -0.10 -0.02 0.00 -0.00 0.00 0.00 39.33 39.62 3ksb h ASP 274 CO 0.03 0.31 0.12 0.58 -0.00 0.00 0.00 179.24 180.27 3ksb h VAL 275 N 0.52 0.97 0.65 4.15 2.07 -0.97 -0.62 116.25 123.01 3ksb h VAL 275 Ca 0.22 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 3ksb h VAL 275 Cb 0.21 0.69 0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3ksb h VAL 275 CO -0.06 0.05 -0.31 -0.09 0.02 0.00 0.00 177.57 177.18 3ksb h ARG 276 N 0.26 -0.84 -0.43 1.57 2.43 -1.15 -0.45 114.38 115.78 3ksb h ARG 276 Ca 0.11 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3ksb h ARG 276 Cb 0.05 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3ksb h ARG 276 CO -0.09 -0.55 0.28 0.28 -1.51 0.00 0.00 179.97 178.39 3ksb h VAL 277 N -0.89 1.11 0.00 0.20 2.07 -1.26 0.95 116.25 118.44 3ksb h VAL 277 Ca -0.09 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3ksb h VAL 277 Cb 0.67 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3ksb h VAL 277 CO 0.15 0.11 0.00 0.59 0.02 0.00 0.00 177.57 178.43 3ksb n ASN 278 N -4.79 0.00 -3.39 0.57 5.03 -0.24 -4.84 115.26 107.60 3ksb n ASN 278 Ca 0.01 0.06 -0.23 0.00 0.87 0.00 0.00 54.58 55.29 3ksb n ASN 278 Cb 0.02 -0.20 -0.04 0.00 -1.02 0.00 0.00 39.78 38.54 3ksb n ASN 278 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3ksb n ASN 279 N -1.20 -1.28 0.19 6.41 3.02 0.33 -4.77 115.26 117.97 3ksb n ASN 279 Ca 0.04 -0.54 0.04 0.00 -0.03 0.00 0.00 54.58 54.10 3ksb n ASN 279 Cb 0.05 -1.15 0.47 0.00 -0.61 0.00 0.00 39.78 38.53 3ksb n ASN 279 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3ksb h LYS 280 N -0.47 0.06 -5.83 3.52 1.57 -1.52 -3.43 116.57 110.47 3ksb h LYS 280 Ca -0.33 -0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 57.91 3ksb h LYS 280 Cb 1.04 -0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.20 3ksb h LYS 280 CO 0.49 0.24 -0.73 0.54 -0.57 0.00 0.00 179.45 179.42 3ksb s VAL 281 N -4.65 2.05 0.00 0.50 0.11 -1.26 -5.13 120.40 112.01 3ksb s VAL 281 Ca -0.04 -2.27 0.00 0.00 -2.93 0.00 0.00 61.98 56.74 3ksb s VAL 281 Cb 0.16 -2.27 0.00 0.00 -1.53 0.00 0.00 36.38 32.73 3ksb s VAL 281 CO 0.71 -0.43 0.00 0.00 -3.33 0.00 0.00 175.10 172.05 3ksb n ALA 282 N -0.55 0.00 0.00 1.54 0.00 -1.26 -3.92 120.51 116.32 3ksb n ALA 282 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3ksb n ALA 282 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3ksb n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksb n GLY 283 N 0.00 0.00 2.77 0.00 0.00 -1.26 -4.80 105.19 101.90 3ksb n GLY 283 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 3ksb n GLY 283 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ksb n ILE 284 N -0.78 0.01 0.00 -0.61 2.08 -1.25 -4.86 119.36 113.94 3ksb n ILE 284 Ca 0.00 -0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.27 3ksb n ILE 284 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 38.88 3ksb n ILE 284 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3ksb n ALA 285 N 1.18 2.41 0.00 -1.39 0.00 -1.26 -4.99 120.51 116.45 3ksb n ALA 285 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3ksb n ALA 285 Cb 0.06 0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3ksb n ALA 285 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3ksb n VAL 287 N -3.70 0.00 -4.32 0.00 0.24 -1.26 -5.16 118.33 104.13 3ksb n VAL 287 Ca -0.06 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.03 3ksb n VAL 287 Cb 0.23 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.47 3ksb n VAL 287 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3ksb s ARG 288 N 0.00 1.02 -0.24 7.34 3.00 -0.30 -4.94 118.95 124.83 3ksb s ARG 288 Ca 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 55.73 54.75 3ksb s ARG 288 Cb 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 34.95 33.86 3ksb s ARG 288 CO 0.00 0.26 -0.05 0.34 0.00 0.00 0.00 175.30 175.86 3ksb s ASP 289 N -1.54 4.35 -0.58 0.23 3.68 -1.26 -0.97 116.67 120.58 3ksb s ASP 289 Ca 0.03 -0.75 0.05 0.00 2.13 0.00 0.00 52.55 54.01 3ksb s ASP 289 Cb -0.09 -1.69 0.17 0.00 -1.45 0.00 0.00 42.92 39.86 3ksb s ASP 289 CO 0.02 -0.11 0.44 -0.62 0.13 0.00 0.00 175.17 175.04 3ksb n GLU 290 N 4.71 1.16 -5.25 4.34 -0.58 -1.09 -5.03 120.64 118.90 3ksb n GLU 290 Ca -0.17 -3.94 -0.31 0.00 -0.42 0.00 0.00 57.16 52.32 3ksb n GLU 290 Cb 0.48 -2.02 -0.16 0.00 -0.57 0.00 0.00 31.44 29.17 3ksb n GLU 290 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3ksb s SER 291 N -0.87 3.15 0.18 1.62 0.01 -1.25 -4.34 113.70 112.19 3ksb s SER 291 Ca 0.29 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 57.10 3ksb s SER 291 Cb 0.00 -0.60 -0.05 0.00 0.21 0.00 0.00 66.02 65.58 3ksb s SER 291 CO -0.18 0.29 0.01 1.51 0.41 0.00 0.00 173.24 175.28 3ksb s ASP 292 N -0.42 1.16 -0.27 2.44 1.47 -1.22 -4.99 116.67 114.84 3ksb s ASP 292 Ca 0.04 -1.19 -0.03 0.00 1.18 0.00 0.00 52.55 52.55 3ksb s ASP 292 Cb -0.12 0.13 -0.09 0.00 -0.34 0.00 0.00 42.92 42.51 3ksb s ASP 292 CO 0.01 -0.59 1.31 -2.11 0.68 0.00 0.00 175.17 174.47 3ksb n ARG 293 N -0.25 0.00 0.00 2.11 1.85 -1.26 -2.71 116.66 116.40 3ksb n ARG 293 Ca -0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 3ksb n ARG 293 Cb 0.63 -1.07 0.00 0.00 -1.05 0.00 0.00 32.46 30.98 3ksb n ARG 293 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 3ksb n ASP 294 N 5.09 0.00 0.00 2.89 3.85 -1.26 -5.16 116.55 121.96 3ksb n ASP 294 Ca 0.18 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.26 3ksb n ASP 294 Cb 0.41 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.18 3ksb n ASP 294 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ksb n GLY 295 N 0.00 4.77 3.61 6.12 0.00 -1.10 -5.10 105.19 113.49 3ksb n GLY 295 Ca 0.00 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 3ksb n GLY 295 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ksb s LEU 296 N 0.00 3.82 -0.07 0.99 0.20 -1.26 -3.40 118.68 118.96 3ksb s LEU 296 Ca 0.00 0.05 -0.03 0.00 0.69 0.00 0.00 54.13 54.84 3ksb s LEU 296 Cb 0.00 -1.98 0.04 0.00 -0.43 0.00 0.00 46.19 43.82 3ksb s LEU 296 CO 0.00 0.13 0.13 -0.60 -0.29 0.00 0.00 176.35 175.72 3ksb s ARG 297 N 0.64 0.01 -0.07 1.98 3.52 -1.24 -4.27 118.95 119.52 3ksb s ARG 297 Ca 0.04 0.49 0.03 0.00 -0.13 0.00 0.00 55.73 56.17 3ksb s ARG 297 Cb -0.13 -0.31 0.00 0.00 -1.56 0.00 0.00 34.95 32.95 3ksb s ARG 297 CO 0.01 -0.29 -0.18 0.42 -0.81 0.00 0.00 175.30 174.45 3ksb s ILE 298 N 2.11 1.58 -0.16 4.11 1.01 -0.53 -2.68 121.20 126.65 3ksb s ILE 298 Ca 0.02 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 3ksb s ILE 298 Cb -0.12 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 3ksb s ILE 298 CO -0.05 0.45 -0.04 0.00 0.00 0.00 0.00 174.94 175.30 3ksb s ALA 299 N 0.39 2.97 0.36 9.38 0.00 -0.14 -0.97 121.76 133.74 3ksb s ALA 299 Ca -0.14 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.05 3ksb s ALA 299 Cb -0.16 -1.54 -0.07 0.00 0.00 0.00 0.00 23.12 21.35 3ksb s ALA 299 CO 0.05 0.18 -0.01 0.42 0.00 0.00 0.00 175.76 176.41 3ksb s ILE 300 N 0.42 1.82 0.00 0.00 1.01 0.00 -1.15 121.20 123.30 3ksb s ILE 300 Ca -0.04 -2.06 0.00 0.00 0.00 0.00 0.00 60.65 58.54 3ksb s ILE 300 Cb -0.14 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.53 3ksb s ILE 300 CO 0.03 -0.09 0.00 2.29 0.00 0.00 0.00 174.94 177.17 3ksb n LYS 304 N -0.81 0.00 -1.55 2.79 -0.00 -1.26 -1.13 118.16 116.19 3ksb n LYS 304 Ca -0.04 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.07 3ksb n LYS 304 Cb 0.66 -0.21 -0.08 0.00 -0.00 0.00 0.00 35.03 35.40 3ksb n LYS 304 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3ksb n ASP 305 N 0.00 1.51 -2.36 -5.58 5.68 -1.26 -4.78 116.55 109.75 3ksb n ASP 305 Ca 0.00 -1.13 -0.11 0.00 -0.50 0.00 0.00 54.79 53.05 3ksb n ASP 305 Cb 0.00 -1.50 -0.09 0.00 -1.14 0.00 0.00 41.12 38.39 3ksb n ASP 305 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ksb n ALA 306 N 16.49 4.53 0.00 2.12 0.00 -1.26 -4.46 120.51 137.93 3ksb n ALA 306 Ca 0.48 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3ksb n ALA 306 Cb 0.41 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.43 3ksb n ALA 306 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3ksb n ASN 307 N 2.94 0.13 -0.26 0.00 0.23 -1.26 -4.52 115.26 112.52 3ksb n ASN 307 Ca 0.31 -0.69 0.03 0.00 -0.53 0.00 0.00 54.58 53.71 3ksb n ASN 307 Cb 0.50 -0.03 0.12 0.00 -2.08 0.00 0.00 39.78 38.29 3ksb n ASN 307 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 3ksb h THR 308 N 1.61 0.28 -0.83 5.53 1.35 -1.99 -0.69 112.91 118.17 3ksb h THR 308 Ca 0.00 -0.01 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 3ksb h THR 308 Cb 0.03 0.24 -0.04 0.00 -1.73 0.00 0.00 68.15 66.65 3ksb h THR 308 CO 0.00 0.01 0.47 -0.33 -0.25 0.00 0.00 175.52 175.42 3ksb h GLU 309 N 0.03 1.15 -0.25 4.72 4.39 -1.99 0.75 114.58 123.38 3ksb h GLU 309 Ca 0.38 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 3ksb h GLU 309 Cb 0.63 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 3ksb h GLU 309 CO -0.74 0.83 0.11 -0.07 -1.16 0.00 0.00 179.01 177.98 3ksb h LEU 310 N 1.16 0.34 0.06 1.33 4.07 -1.55 0.52 115.31 121.24 3ksb h LEU 310 Ca 0.30 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.11 3ksb h LEU 310 Cb 0.00 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 3ksb h LEU 310 CO -0.05 0.40 -0.07 1.62 -1.08 0.00 0.00 178.44 179.25 3ksb h VAL 311 N 0.27 0.83 0.39 1.22 3.04 -0.51 0.11 116.25 121.59 3ksb h VAL 311 Ca 0.09 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.76 3ksb h VAL 311 Cb 0.15 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 3ksb h VAL 311 CO -0.01 0.00 -0.19 0.25 -1.01 0.00 0.00 177.57 176.61 3ksb h LEU 312 N -0.16 -0.44 -1.34 3.16 6.46 -0.91 0.40 115.31 122.48 3ksb h LEU 312 Ca 0.01 -0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.79 3ksb h LEU 312 Cb 0.16 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.16 3ksb h LEU 312 CO -0.03 -0.27 0.48 0.78 -0.62 0.00 0.00 178.44 178.78 3ksb h ASN 313 N -0.58 0.73 -0.09 1.25 2.35 -0.85 -1.40 115.58 116.99 3ksb h ASN 313 Ca -0.05 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 3ksb h ASN 313 Cb 0.43 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 3ksb h ASN 313 CO 0.09 0.49 -0.02 0.22 -1.65 0.00 0.00 177.43 176.55 3ksb h TYR 314 N 0.84 0.20 -0.58 1.19 5.03 -0.65 -3.14 116.97 119.85 3ksb h TYR 314 Ca 0.30 -0.04 0.12 0.00 2.58 0.00 0.00 58.73 61.68 3ksb h TYR 314 Cb 0.13 -0.05 -0.11 0.00 1.55 0.00 0.00 36.73 38.25 3ksb h TYR 314 CO -0.00 0.50 -0.15 -0.07 -1.32 0.00 0.00 178.16 177.12 3ksb h LEU 315 N -0.16 -0.55 -0.30 2.82 3.38 -0.07 0.57 115.31 120.99 3ksb h LEU 315 Ca 0.02 0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.24 3ksb h LEU 315 Cb 0.44 0.36 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 3ksb h LEU 315 CO 0.01 -0.19 -0.18 -0.26 0.09 0.00 0.00 178.44 177.91 3ksb h PHE 316 N -0.00 -0.44 0.36 1.13 0.05 -1.29 0.18 116.94 116.92 3ksb h PHE 316 Ca 0.28 0.04 -0.02 0.00 3.82 0.00 0.00 57.97 62.09 3ksb h PHE 316 Cb 0.43 0.24 0.00 0.00 2.00 0.00 0.00 35.95 38.62 3ksb h PHE 316 CO -0.48 -0.25 -0.18 0.87 -0.18 0.00 0.00 178.31 178.09 3ksb h LYS 317 N -0.14 -0.47 0.00 1.51 1.57 -1.20 -3.32 116.57 114.52 3ksb h LYS 317 Ca 0.16 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3ksb h LYS 317 Cb 0.38 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3ksb h LYS 317 CO -0.39 -0.31 0.00 2.48 -0.57 0.00 0.00 179.45 180.65 3ksb n TYR 318 N -3.33 0.00 -4.16 -1.35 4.11 0.08 -4.83 117.16 107.68 3ksb n TYR 318 Ca -0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.74 3ksb n TYR 318 Cb 0.19 -0.39 -0.04 0.00 -0.00 0.00 0.00 39.34 39.11 3ksb n TYR 318 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 3ksb n THR 319 N -1.39 0.00 -0.09 -3.48 -2.24 0.60 -5.04 114.28 102.64 3ksb n THR 319 Ca 0.06 -1.12 0.08 0.00 -2.27 0.00 0.00 64.05 60.80 3ksb n THR 319 Cb 0.16 0.52 0.28 0.00 -2.10 0.00 0.00 70.33 69.19 3ksb n THR 319 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ksb n ASP 320 N -2.25 3.74 0.31 3.42 5.68 -1.26 -3.90 116.55 122.29 3ksb n ASP 320 Ca 0.02 -2.31 0.19 0.00 -0.50 0.00 0.00 54.79 52.19 3ksb n ASP 320 Cb 0.28 -0.49 1.03 0.00 -1.14 0.00 0.00 41.12 40.80 3ksb n ASP 320 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3ksb h LEU 321 N 3.22 0.00 -7.31 -2.12 3.38 -1.83 -3.38 115.31 107.27 3ksb h LEU 321 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 3ksb h LEU 321 Cb 1.14 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.53 3ksb h LEU 321 CO 0.16 0.01 -0.66 -1.10 0.09 0.00 0.00 178.44 176.95 3ksb s GLN 322 N -4.33 0.01 0.48 1.13 -0.21 -1.25 -0.97 119.66 114.52 3ksb s GLN 322 Ca -0.05 0.47 0.02 0.00 0.02 0.00 0.00 55.36 55.83 3ksb s GLN 322 Cb 0.14 -0.31 -0.01 0.00 1.00 0.00 0.00 33.01 33.83 3ksb s GLN 322 CO 0.49 -0.28 0.08 0.96 -2.12 0.00 0.00 175.29 174.41 3ksb s ILE 323 N 2.03 0.74 0.10 1.08 -4.36 -0.62 -4.78 121.20 115.39 3ksb s ILE 323 Ca 0.01 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.47 3ksb s ILE 323 Cb -0.12 -2.15 -0.04 0.00 1.25 0.00 0.00 42.46 41.40 3ksb s ILE 323 CO -0.05 0.00 -0.09 0.54 0.24 0.00 0.00 174.94 175.58 3ksb s ASN 324 N -3.77 4.49 -0.04 4.36 2.20 -1.26 -0.81 114.94 120.11 3ksb s ASN 324 Ca 0.12 -0.35 0.04 0.00 -0.94 0.00 0.00 52.86 51.72 3ksb s ASN 324 Cb 0.01 -0.89 -0.03 0.00 -2.00 0.00 0.00 41.25 38.34 3ksb s ASN 324 CO 0.08 0.18 -0.14 -0.47 -2.94 0.00 0.00 177.10 173.81 3ksb s TYR 325 N -1.22 2.71 -0.05 1.54 6.14 -0.39 -4.93 117.35 121.15 3ksb s TYR 325 Ca 0.22 -0.15 0.02 0.00 0.64 0.00 0.00 57.07 57.79 3ksb s TYR 325 Cb -0.11 -1.62 -0.03 0.00 0.42 0.00 0.00 41.96 40.61 3ksb s TYR 325 CO 0.14 0.20 -0.07 -0.80 0.64 0.00 0.00 175.55 175.66 3ksb s ASN 326 N -0.78 4.64 -0.25 4.32 0.01 -1.26 -1.44 114.94 120.17 3ksb s ASN 326 Ca 0.12 -0.06 -0.10 0.00 -0.71 0.00 0.00 52.86 52.11 3ksb s ASN 326 Cb -0.11 -1.14 -0.04 0.00 0.41 0.00 0.00 41.25 40.37 3ksb s ASN 326 CO 0.01 0.34 0.14 -0.36 -1.51 0.00 0.00 177.10 175.72 3ksb s PHE 327 N -0.87 3.22 -0.36 2.20 0.08 0.16 -4.81 117.98 117.61 3ksb s PHE 327 Ca 0.14 0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.22 3ksb s PHE 327 Cb -0.11 -2.28 0.14 0.00 -0.57 0.00 0.00 43.02 40.20 3ksb s PHE 327 CO 0.03 -0.10 0.22 1.21 -0.10 0.00 0.00 175.22 176.48 3ksb s ASN 328 N 1.36 2.89 -0.51 1.36 3.04 -0.75 -2.66 114.94 119.68 3ksb s ASN 328 Ca 0.07 -2.24 -0.17 0.00 0.04 0.00 0.00 52.86 50.56 3ksb s ASN 328 Cb -0.15 -0.40 0.09 0.00 -1.54 0.00 0.00 41.25 39.25 3ksb s ASN 328 CO 0.06 -0.30 0.49 -0.04 -3.04 0.00 0.00 177.10 174.27 3ksb s MET 329 N 1.01 3.01 -0.11 0.43 -1.94 0.36 -0.83 119.30 121.23 3ksb s MET 329 Ca 0.19 -1.38 -0.01 0.00 -1.71 0.00 0.00 55.69 52.78 3ksb s MET 329 Cb -0.22 -4.19 0.03 0.00 2.01 0.00 0.00 34.83 32.46 3ksb s MET 329 CO -0.00 -1.20 -0.05 0.08 -0.01 0.00 0.00 175.02 173.83 3ksb s VAL 330 N 1.89 0.87 0.38 -6.03 1.01 -1.26 -0.84 120.40 116.42 3ksb s VAL 330 Ca 0.06 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.87 3ksb s VAL 330 Cb -0.25 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 3ksb s VAL 330 CO 0.06 0.32 0.16 0.00 0.00 0.00 0.00 175.10 175.64 3ksb s ALA 331 N 1.77 2.58 -0.32 5.51 0.00 -0.32 -4.63 121.76 126.34 3ksb s ALA 331 Ca 0.05 -1.48 -0.12 0.00 0.00 0.00 0.00 51.96 50.41 3ksb s ALA 331 Cb -0.13 0.93 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 3ksb s ALA 331 CO -0.07 -0.42 0.21 0.42 0.00 0.00 0.00 175.76 175.90 3ksb s ILE 332 N -3.32 5.11 -0.01 0.00 -1.09 0.02 -1.06 121.20 120.85 3ksb s ILE 332 Ca 0.29 -0.21 0.07 0.00 -2.23 0.00 0.00 60.65 58.57 3ksb s ILE 332 Cb 0.03 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.30 3ksb s ILE 332 CO 0.17 0.05 -0.23 -1.81 -1.23 0.00 0.00 174.94 171.89 3ksb s ASP 333 N 1.70 2.69 -1.45 3.58 -0.00 -0.76 -1.33 116.67 121.10 3ksb s ASP 333 Ca 0.06 -0.43 -0.07 0.00 -0.00 0.00 0.00 52.55 52.11 3ksb s ASP 333 Cb -0.17 -0.29 0.03 0.00 -0.00 0.00 0.00 42.92 42.49 3ksb s ASP 333 CO 0.09 0.27 0.61 -3.20 -0.00 0.00 0.00 175.17 172.94 3ksb n ASN 334 N 2.43 -5.20 -0.58 0.27 4.05 -1.26 -1.10 115.26 113.88 3ksb n ASN 334 Ca -0.16 -0.36 -0.08 0.00 0.45 0.00 0.00 54.58 54.44 3ksb n ASN 334 Cb 0.52 -4.22 -0.03 0.00 1.23 0.00 0.00 39.78 37.28 3ksb n ASN 334 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 3ksb n PHE 335 N -4.33 0.00 -3.90 1.20 3.01 -1.26 -4.98 117.46 107.19 3ksb n PHE 335 Ca -0.06 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.30 3ksb n PHE 335 Cb 0.58 -1.67 -0.09 0.00 -0.01 0.00 0.00 39.48 38.29 3ksb n PHE 335 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 3ksb s THR 336 N -2.17 0.12 0.16 4.37 -1.32 -0.26 -4.95 115.64 111.59 3ksb s THR 336 Ca 0.00 -0.97 -0.31 0.00 -1.21 0.00 0.00 61.69 59.20 3ksb s THR 336 Cb 0.00 -0.81 -0.11 0.00 -1.51 0.00 0.00 72.50 70.08 3ksb s THR 336 CO 0.00 -0.53 1.73 -2.84 -2.21 0.00 0.00 174.62 170.77 3ksb s PRO 337 N -2.36 4.15 -0.00 7.08 0.02 -1.26 -1.83 135.00 140.80 3ksb s PRO 337 Ca -0.07 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.50 3ksb s PRO 337 Cb -0.02 -3.31 0.00 0.00 0.02 0.00 0.00 34.50 31.19 3ksb s PRO 337 CO -0.03 -0.76 -0.01 1.03 -0.33 0.00 0.00 177.00 176.90 3ksb s ARG 338 N 1.84 0.05 -0.25 5.54 0.52 -0.22 -4.92 118.95 121.51 3ksb s ARG 338 Ca 0.76 -0.02 -0.12 0.00 -0.52 0.00 0.00 55.73 55.84 3ksb s ARG 338 Cb -0.47 -0.06 -0.05 0.00 0.52 0.00 0.00 34.95 34.89 3ksb s ARG 338 CO 0.33 0.01 0.21 -1.14 0.02 0.00 0.00 175.30 174.73 3ksb s GLN 339 N 0.02 4.03 0.11 3.54 0.74 -1.26 -1.18 119.66 125.66 3ksb s GLN 339 Ca -0.00 -0.22 0.01 0.00 0.05 0.00 0.00 55.36 55.20 3ksb s GLN 339 Cb -0.01 -3.59 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 3ksb s GLN 339 CO -0.00 -0.06 -0.04 0.14 -0.55 0.00 0.00 175.29 174.78 3ksb s VAL 340 N 1.42 0.60 0.00 1.34 -7.23 -0.02 -4.90 120.40 111.61 3ksb s VAL 340 Ca 0.09 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 3ksb s VAL 340 Cb -0.15 -1.77 0.00 0.00 0.56 0.00 0.00 36.38 35.02 3ksb s VAL 340 CO 0.08 -0.79 0.00 0.61 -0.31 0.00 0.00 175.10 174.69 3ksb n GLY 341 N -0.07 2.21 0.27 2.32 0.00 -1.26 -4.14 105.19 104.53 3ksb n GLY 341 Ca -0.11 -2.13 -0.02 0.00 0.00 0.00 0.00 46.02 43.76 3ksb n GLY 341 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ksb h ILE 342 N 0.09 1.04 -0.28 -0.61 2.04 -1.37 -2.54 117.51 115.88 3ksb h ILE 342 Ca 0.00 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.60 3ksb h ILE 342 Cb 0.00 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 3ksb h ILE 342 CO 0.00 0.15 0.14 0.58 0.00 0.00 0.00 178.15 179.02 3ksb h VAL 343 N 0.82 1.00 0.01 1.67 2.07 -1.93 0.12 116.25 120.01 3ksb h VAL 343 Ca 0.30 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 3ksb h VAL 343 Cb 0.10 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3ksb h VAL 343 CO -0.14 0.05 -0.01 -0.65 0.02 0.00 0.00 177.57 176.85 3ksb h PRO 344 N 0.30 -0.01 0.02 1.57 0.11 -1.91 -0.04 132.00 132.03 3ksb h PRO 344 Ca 0.11 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.24 3ksb h PRO 344 Cb 0.03 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 3ksb h PRO 344 CO -0.07 0.04 -0.10 0.82 -0.21 0.00 0.00 178.00 178.48 3ksb h ILE 345 N -0.07 0.75 0.55 4.15 2.04 -1.14 0.36 117.51 124.16 3ksb h ILE 345 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3ksb h ILE 345 Cb 0.06 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3ksb h ILE 345 CO 0.00 0.00 -0.30 -0.07 0.00 0.00 0.00 178.15 177.79 3ksb h LEU 346 N -0.18 -0.72 -0.19 1.44 3.38 -0.79 -1.21 115.31 117.04 3ksb h LEU 346 Ca 0.03 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.09 3ksb h LEU 346 Cb 0.22 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 3ksb h LEU 346 CO -0.09 -0.49 -0.29 -1.28 0.09 0.00 0.00 178.44 176.39 3ksb h SER 347 N -0.79 -0.91 -0.78 -0.43 0.87 -0.78 -0.44 113.55 110.29 3ksb h SER 347 Ca -0.07 0.15 0.03 0.00 -1.23 0.00 0.00 61.79 60.67 3ksb h SER 347 Cb 0.62 0.40 -0.05 0.00 -0.44 0.00 0.00 62.40 62.94 3ksb h SER 347 CO 0.10 -0.32 0.50 0.77 -0.53 0.00 0.00 176.83 177.34 3ksb h SER 348 N -0.33 0.82 -0.24 6.23 4.64 -0.88 -0.79 113.55 123.01 3ksb h SER 348 Ca 0.12 -0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.47 3ksb h SER 348 Cb 0.51 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 3ksb h SER 348 CO -0.38 0.57 0.01 0.22 -0.87 0.00 0.00 176.83 176.38 3ksb h TYR 349 N 0.97 0.01 -0.01 4.77 3.20 -0.31 -0.98 116.97 124.62 3ksb h TYR 349 Ca 0.31 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.23 3ksb h TYR 349 Cb 0.01 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 3ksb h TYR 349 CO -0.03 -0.02 -0.23 0.82 -1.64 0.00 0.00 178.16 177.06 3ksb h ILE 350 N 0.09 0.47 -0.59 1.81 2.04 -0.31 -1.46 117.51 119.56 3ksb h ILE 350 Ca 0.11 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.05 3ksb h ILE 350 Cb 0.14 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 3ksb h ILE 350 CO -0.18 0.00 0.39 0.00 0.00 0.00 0.00 178.15 178.36 3ksb h ALA 351 N 0.51 1.93 0.78 1.87 0.00 -0.82 -1.44 119.26 122.09 3ksb h ALA 351 Ca 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3ksb h ALA 351 Cb 0.44 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.13 3ksb h ALA 351 CO -0.22 -0.04 -0.37 1.25 0.00 0.00 0.00 179.25 179.87 3ksb h HIS 352 N 0.48 -0.97 -1.10 0.00 -0.00 -0.33 -2.39 115.15 110.84 3ksb h HIS 352 Ca 0.26 -0.02 0.32 0.00 -0.00 0.00 0.00 60.37 60.93 3ksb h HIS 352 Cb 0.42 0.32 -0.05 0.00 -0.00 0.00 0.00 27.41 28.10 3ksb h HIS 352 CO -0.00 -0.59 0.79 0.00 -0.00 0.00 0.00 177.93 178.13 3ksb h ARG 353 N -1.12 0.03 0.51 5.26 2.47 -0.30 0.11 114.38 121.34 3ksb h ARG 353 Ca -0.11 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.59 3ksb h ARG 353 Cb 0.82 -0.01 0.01 0.00 -1.65 0.00 0.00 29.97 29.13 3ksb h ARG 353 CO 0.18 0.02 -0.25 -0.09 0.56 0.00 0.00 179.97 180.39 3ksb h ARG 354 N 0.03 -0.67 -0.76 0.04 2.43 -0.83 0.11 114.38 114.73 3ksb h ARG 354 Ca 0.53 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.86 3ksb h ARG 354 Cb 2.08 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 31.70 3ksb h ARG 354 CO -0.02 -0.37 0.37 0.93 -1.51 0.00 0.00 179.97 179.37 3ksb h GLU 355 N -0.89 0.58 0.02 0.20 4.39 -0.51 0.38 114.58 118.75 3ksb h GLU 355 Ca -0.07 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 3ksb h GLU 355 Cb 0.60 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3ksb h GLU 355 CO 0.12 0.38 -0.01 0.28 -1.16 0.00 0.00 179.01 178.62 3ksb h VAL 356 N 0.59 1.01 0.26 3.13 2.07 -0.96 0.99 116.25 123.33 3ksb h VAL 356 Ca 0.39 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.85 3ksb h VAL 356 Cb 0.49 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3ksb h VAL 356 CO -0.32 0.02 -0.28 0.40 0.02 0.00 0.00 177.57 177.41 3ksb h ILE 357 N -0.05 0.40 -0.75 4.57 2.04 0.11 0.11 117.51 123.93 3ksb h ILE 357 Ca -0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3ksb h ILE 357 Cb 0.05 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 3ksb h ILE 357 CO 0.00 0.00 0.46 -0.07 0.00 0.00 0.00 178.15 178.55 3ksb h LEU 358 N -0.58 0.74 -0.52 1.44 3.38 -0.80 -0.74 115.31 118.23 3ksb h LEU 358 Ca -0.00 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3ksb h LEU 358 Cb 0.54 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3ksb h LEU 358 CO -0.08 0.49 0.16 0.00 0.09 0.00 0.00 178.44 179.10 3ksb h ALA 359 N 1.35 0.68 0.39 1.53 0.00 -0.54 -0.11 119.26 122.56 3ksb h ALA 359 Ca 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3ksb h ALA 359 Cb 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3ksb h ALA 359 CO -0.14 0.34 -0.51 -0.09 0.00 0.00 0.00 179.25 178.86 3ksb h ARG 360 N 0.71 -0.89 -0.37 0.00 2.43 -0.20 -1.63 114.38 114.42 3ksb h ARG 360 Ca 0.17 0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.46 3ksb h ARG 360 Cb 0.28 0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.98 3ksb h ARG 360 CO -0.00 -0.60 0.03 0.77 -1.51 0.00 0.00 179.97 178.67 3ksb h SER 361 N -0.93 -0.08 -0.53 -3.80 0.02 -1.05 0.08 113.55 107.26 3ksb h SER 361 Ca -0.04 0.08 0.10 0.00 -0.84 0.00 0.00 61.79 61.08 3ksb h SER 361 Cb 0.84 0.12 -0.08 0.00 0.14 0.00 0.00 62.40 63.42 3ksb h SER 361 CO -0.13 -0.00 0.09 0.03 -1.14 0.00 0.00 176.83 175.68 3ksb h ARG 362 N 0.15 0.22 -0.51 3.45 3.08 -0.72 0.23 114.38 120.28 3ksb h ARG 362 Ca 0.18 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 3ksb h ARG 362 Cb 0.24 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3ksb h ARG 362 CO -0.27 0.15 0.10 0.35 -1.07 0.00 0.00 179.97 179.22 3ksb h PHE 363 N 0.23 0.87 -0.69 3.04 3.57 -0.60 -2.61 116.94 120.74 3ksb h PHE 363 Ca 0.27 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3ksb h PHE 363 Cb 0.39 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3ksb h PHE 363 CO -0.25 0.79 0.38 -0.44 -2.23 0.00 0.00 178.31 176.56 3ksb h ASP 364 N 0.71 0.87 -0.04 0.41 3.32 0.06 -1.63 116.42 120.12 3ksb h ASP 364 Ca 0.16 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3ksb h ASP 364 Cb 0.37 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 3ksb h ASP 364 CO 0.01 0.72 0.03 0.50 -1.72 0.00 0.00 179.24 178.77 3ksb h LYS 365 N 0.95 0.06 -0.16 3.56 3.64 -0.53 0.14 116.57 124.23 3ksb h LYS 365 Ca 0.24 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 3ksb h LYS 365 Cb 0.04 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3ksb h LYS 365 CO -0.04 0.06 0.06 0.93 -2.27 0.00 0.00 179.45 178.20 3ksb h GLU 366 N 0.03 0.14 -0.61 1.90 5.08 -1.39 0.12 114.58 119.86 3ksb h GLU 366 Ca 0.02 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 3ksb h GLU 366 Cb 0.02 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.16 3ksb h GLU 366 CO -0.00 0.10 0.18 1.57 -1.00 0.00 0.00 179.01 179.85 3ksb h LYS 367 N 0.15 0.32 0.50 2.33 2.10 -0.97 -1.69 116.57 119.30 3ksb h LYS 367 Ca 0.07 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.68 3ksb h LYS 367 Cb 0.03 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.27 3ksb h LYS 367 CO -0.06 0.21 -0.45 0.00 -2.00 0.00 0.00 179.45 177.15 3ksb h ALA 368 N 1.46 -1.03 -0.91 0.07 0.00 -0.04 -2.99 119.26 115.83 3ksb h ALA 368 Ca 0.32 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.23 3ksb h ALA 368 Cb 0.44 0.63 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 3ksb h ALA 368 CO -0.36 -1.11 0.59 0.93 0.00 0.00 0.00 179.25 179.30 3ksb h GLU 369 N -0.95 0.53 0.38 0.00 5.08 0.06 0.17 114.58 119.85 3ksb h GLU 369 Ca -0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3ksb h GLU 369 Cb 0.82 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3ksb h GLU 369 CO -0.03 0.35 -0.18 0.87 -1.00 0.00 0.00 179.01 179.01 3ksb h LYS 370 N 0.54 -0.49 -0.19 2.33 1.57 -1.20 -0.18 116.57 118.95 3ksb h LYS 370 Ca 0.48 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.27 3ksb h LYS 370 Cb 0.99 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3ksb h LYS 370 CO -0.21 -0.18 0.02 -0.09 -0.57 0.00 0.00 179.45 178.41 3ksb h ARG 371 N -0.83 0.27 0.15 3.15 9.65 -1.27 0.38 114.38 125.88 3ksb h ARG 371 Ca -0.05 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 3ksb h ARG 371 Cb 0.54 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 3ksb h ARG 371 CO 0.09 0.29 -0.07 1.25 2.80 0.00 0.00 179.97 184.32 3ksb h LEU 372 N 0.27 -0.17 -1.23 3.80 7.12 -0.94 0.68 115.31 124.84 3ksb h LEU 372 Ca 0.07 -0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.02 3ksb h LEU 372 Cb 0.16 0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.30 3ksb h LEU 372 CO 0.00 -0.05 0.49 -0.74 -0.13 0.00 0.00 178.44 178.01 3ksb h HIS 373 N -0.28 0.96 -0.24 1.25 2.76 -0.46 0.28 115.15 119.41 3ksb h HIS 373 Ca -0.02 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 3ksb h HIS 373 Cb 0.22 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 28.86 3ksb h HIS 373 CO -0.04 0.61 -0.22 0.82 -1.30 0.00 0.00 177.93 177.80 3ksb h ILE 374 N 1.03 1.32 -0.10 6.26 2.04 -0.74 -2.53 117.51 124.78 3ksb h ILE 374 Ca 0.27 -1.37 0.01 0.00 1.00 0.00 0.00 64.86 64.77 3ksb h ILE 374 Cb -0.10 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3ksb h ILE 374 CO -0.06 0.43 0.05 0.58 0.00 0.00 0.00 178.15 179.15 3ksb h VAL 375 N 0.27 1.00 -1.01 1.67 2.07 0.70 -1.23 116.25 119.71 3ksb h VAL 375 Ca 0.04 -0.04 0.23 0.00 0.82 0.00 0.00 66.70 67.76 3ksb h VAL 375 Cb 0.77 0.88 -0.10 0.00 -1.52 0.00 0.00 31.29 31.32 3ksb h VAL 375 CO 0.06 0.02 0.63 -0.33 0.02 0.00 0.00 177.57 177.96 3ksb h GLU 376 N 0.10 0.52 0.09 1.57 3.07 -0.46 -1.18 114.58 118.30 3ksb h GLU 376 Ca 0.04 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3ksb h GLU 376 Cb 0.01 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 3ksb h GLU 376 CO -0.03 0.35 -0.04 0.78 -1.40 0.00 0.00 179.01 178.66 3ksb h GLY 377 N 0.54 -0.13 0.53 -3.84 0.00 -0.89 -2.95 103.07 96.33 3ksb h GLY 377 Ca 0.58 0.05 0.09 0.00 0.00 0.00 0.00 47.33 48.05 3ksb h GLY 377 CO -0.34 -0.05 0.47 1.41 0.00 0.00 0.00 176.54 178.04 3ksb h LEU 378 N -0.49 0.68 -0.45 3.11 3.38 -0.32 -1.68 115.31 119.54 3ksb h LEU 378 Ca -0.01 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.09 3ksb h LEU 378 Cb 0.41 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 3ksb h LEU 378 CO 0.02 0.39 -0.08 0.40 0.09 0.00 0.00 178.44 179.26 3ksb h ILE 379 N 0.80 0.58 -0.52 1.22 2.04 -1.24 -0.37 117.51 120.02 3ksb h ILE 379 Ca 0.39 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 66.27 3ksb h ILE 379 Cb 0.35 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3ksb h ILE 379 CO -0.24 0.00 0.31 0.03 0.00 0.00 0.00 178.15 178.25 3ksb h ARG 380 N 0.02 0.59 -0.83 2.37 3.08 -1.15 -2.76 114.38 115.71 3ksb h ARG 380 Ca 0.22 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.25 3ksb h ARG 380 Cb 0.33 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 3ksb h ARG 380 CO -0.44 0.39 0.54 0.28 -1.07 0.00 0.00 179.97 179.67 3ksb h VAL 381 N 0.61 1.17 -1.03 2.04 2.07 -0.70 -2.27 116.25 118.14 3ksb h VAL 381 Ca 0.21 -0.37 0.27 0.00 0.82 0.00 0.00 66.70 67.63 3ksb h VAL 381 Cb 0.03 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.72 3ksb h VAL 381 CO -0.10 0.20 0.68 0.40 0.02 0.00 0.00 177.57 178.77 3ksb h ILE 382 N 1.07 0.53 0.00 4.57 2.04 -0.79 0.32 117.51 125.25 3ksb h ILE 382 Ca 0.32 -0.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.97 3ksb h ILE 382 Cb -0.06 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 3ksb h ILE 382 CO -0.09 0.06 -0.44 0.77 0.00 0.00 0.00 178.15 178.45 3ksb h SER 383 N 0.34 0.00 -0.45 1.72 4.64 -1.47 -3.30 113.55 115.03 3ksb h SER 383 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 3ksb h SER 383 Cb 1.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 3ksb h SER 383 CO -0.24 0.44 0.00 -0.38 -0.87 0.00 0.00 176.83 175.78 3ksb n ILE 384 N -3.27 1.20 -0.10 0.95 -0.00 0.59 -4.84 119.36 113.88 3ksb n ILE 384 Ca 0.02 -1.10 -0.08 0.00 -0.00 0.00 0.00 62.75 61.59 3ksb n ILE 384 Cb 0.67 0.39 -0.02 0.00 -0.00 0.00 0.00 39.64 40.69 3ksb n ILE 384 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 3ksb h LEU 385 N 2.65 -1.05 -0.21 1.39 6.46 -0.61 -0.71 115.31 123.23 3ksb h LEU 385 Ca 0.00 0.18 0.05 0.00 -0.12 0.00 0.00 57.88 57.99 3ksb h LEU 385 Cb 0.92 0.49 -0.07 0.00 -0.73 0.00 0.00 40.66 41.27 3ksb h LEU 385 CO 0.04 -0.32 -0.46 0.44 -0.62 0.00 0.00 178.44 177.52 3ksb h ASP 386 N -0.26 -1.46 -0.72 1.25 5.19 -1.88 -1.59 116.42 116.94 3ksb h ASP 386 Ca 0.16 0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.77 3ksb h ASP 386 Cb 0.53 0.60 -0.04 0.00 0.18 0.00 0.00 39.33 40.61 3ksb h ASP 386 CO -0.51 -0.43 0.46 1.05 -3.12 0.00 0.00 179.24 176.69 3ksb h GLU 387 N -0.47 0.96 0.22 3.56 4.11 -1.75 -2.34 114.58 118.87 3ksb h GLU 387 Ca 0.08 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 3ksb h GLU 387 Cb 0.63 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3ksb h GLU 387 CO -0.46 0.65 -0.13 0.28 0.07 0.00 0.00 179.01 179.43 3ksb h VAL 388 N 0.99 0.74 -0.44 -1.06 2.07 -0.21 -0.04 116.25 118.29 3ksb h VAL 388 Ca 0.26 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.82 3ksb h VAL 388 Cb -0.09 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3ksb h VAL 388 CO -0.05 0.00 0.22 0.40 0.02 0.00 0.00 177.57 178.16 3ksb h ILE 389 N -0.33 0.97 -0.65 4.57 2.04 -1.28 -1.25 117.51 121.58 3ksb h ILE 389 Ca -0.02 -0.15 0.13 0.00 1.00 0.00 0.00 64.86 65.81 3ksb h ILE 389 Cb 0.27 0.49 -0.10 0.00 -0.74 0.00 0.00 36.82 36.74 3ksb h ILE 389 CO 0.03 0.08 0.12 0.00 0.00 0.00 0.00 178.15 178.38 3ksb h ALA 390 N 1.23 0.78 -0.24 1.87 0.00 -1.08 0.48 119.26 122.30 3ksb h ALA 390 Ca 0.19 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.29 3ksb h ALA 390 Cb 0.09 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3ksb h ALA 390 CO -0.13 -0.33 0.04 1.25 0.00 0.00 0.00 179.25 180.08 3ksb h LEU 391 N 0.24 0.01 -0.94 0.00 6.46 -0.15 -2.06 115.31 118.87 3ksb h LEU 391 Ca 0.35 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 58.18 3ksb h LEU 391 Cb 0.56 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.49 3ksb h LEU 391 CO -0.47 0.04 0.61 0.40 -0.62 0.00 0.00 178.44 178.40 3ksb h ILE 392 N 0.14 1.17 0.07 4.05 1.08 0.14 -0.78 117.51 123.37 3ksb h ILE 392 Ca 0.11 -0.41 -0.00 0.00 -0.39 0.00 0.00 64.86 64.16 3ksb h ILE 392 Cb 0.11 -0.13 0.00 0.00 -3.07 0.00 0.00 36.82 33.72 3ksb h ILE 392 CO -0.14 0.22 -0.03 0.03 -0.69 0.00 0.00 178.15 177.53 3ksb h ARG 393 N 1.20 -0.09 0.00 2.37 2.47 -0.92 -2.14 114.38 117.27 3ksb h ARG 393 Ca 0.37 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.10 3ksb h ARG 393 Cb -0.01 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 3ksb h ARG 393 CO -0.12 0.08 0.00 0.00 0.56 0.00 0.00 179.97 180.50 3ksb n ALA 394 N -2.21 1.55 -2.12 0.04 0.00 -0.79 -4.76 120.51 112.22 3ksb n ALA 394 Ca -0.08 -0.04 -0.31 0.00 0.00 0.00 0.00 53.44 53.01 3ksb n ALA 394 Cb 0.13 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 3ksb n ALA 394 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3ksb s SER 395 N -2.58 6.57 -0.11 0.00 0.01 -0.34 -5.05 113.70 112.20 3ksb s SER 395 Ca 0.08 1.22 -0.05 0.00 1.31 0.00 0.00 55.95 58.51 3ksb s SER 395 Cb 0.05 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.91 3ksb s SER 395 CO 0.13 -0.41 -0.10 1.05 0.41 0.00 0.00 173.24 174.32 3ksb h GLU 396 N 1.32 0.00 -6.23 12.44 9.09 -1.85 -3.47 114.58 125.88 3ksb h GLU 396 Ca -0.47 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.41 3ksb h GLU 396 Cb 1.19 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.27 3ksb h GLU 396 CO 0.64 0.00 -0.24 0.54 0.05 0.00 0.00 179.01 179.99 3ksb s ASN 397 N -5.33 4.88 0.07 3.06 2.20 -1.26 -4.94 114.94 113.62 3ksb s ASN 397 Ca -0.08 -1.01 -0.26 0.00 -0.94 0.00 0.00 52.86 50.57 3ksb s ASN 397 Cb 0.01 0.20 -0.17 0.00 -2.00 0.00 0.00 41.25 39.29 3ksb s ASN 397 CO 0.12 -1.11 1.61 0.50 -2.94 0.00 0.00 177.10 175.29 3ksb h LYS 398 N 0.59 -0.26 -0.41 3.55 3.64 -1.98 -0.03 116.57 121.68 3ksb h LYS 398 Ca -0.35 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.06 3ksb h LYS 398 Cb 1.29 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.15 3ksb h LYS 398 CO 0.51 -0.11 0.26 0.00 -2.27 0.00 0.00 179.45 177.84 3ksb h ALA 399 N 0.44 0.52 -0.97 5.00 0.00 -1.99 -0.78 119.26 121.47 3ksb h ALA 399 Ca -0.03 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3ksb h ALA 399 Cb 0.27 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 3ksb h ALA 399 CO 0.04 -0.06 0.63 0.38 0.00 0.00 0.00 179.25 180.24 3ksb h ASP 400 N 0.52 0.97 0.38 0.00 3.04 -1.92 0.34 116.42 119.74 3ksb h ASP 400 Ca 0.16 0.02 -0.00 0.00 -3.24 0.00 0.00 57.03 53.96 3ksb h ASP 400 Cb -0.03 -0.19 -0.03 0.00 -1.04 0.00 0.00 39.33 38.04 3ksb h ASP 400 CO -0.05 0.59 -0.51 0.00 -2.04 0.00 0.00 179.24 177.23 3ksb h ALA 401 N 1.49 -1.09 -0.24 4.15 0.00 -0.03 -0.89 119.26 122.66 3ksb h ALA 401 Ca 0.43 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.24 3ksb h ALA 401 Cb 0.26 0.79 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 3ksb h ALA 401 CO -0.18 -1.16 -0.25 0.87 0.00 0.00 0.00 179.25 178.53 3ksb h LYS 402 N -0.92 -0.24 -0.52 0.00 1.57 -0.34 -2.33 116.57 113.78 3ksb h LYS 402 Ca -0.04 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3ksb h LYS 402 Cb 0.84 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.18 3ksb h LYS 402 CO -0.14 -0.16 0.35 0.93 -0.57 0.00 0.00 179.45 179.85 3ksb h GLU 403 N -0.25 0.65 -0.50 3.15 5.08 -0.76 -1.11 114.58 120.83 3ksb h GLU 403 Ca 0.14 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 3ksb h GLU 403 Cb 0.46 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3ksb h GLU 403 CO -0.39 0.43 -0.14 -2.95 -1.00 0.00 0.00 179.01 174.96 3ksb h ASN 404 N 0.67 0.97 -0.45 1.42 7.08 -0.65 -1.81 115.58 122.81 3ksb h ASN 404 Ca 0.20 -0.33 -0.03 0.00 -3.08 0.00 0.00 56.30 53.06 3ksb h ASN 404 Cb -0.03 -0.26 -0.02 0.00 -2.08 0.00 0.00 38.32 35.93 3ksb h ASN 404 CO -0.05 1.10 0.15 -0.07 -2.08 0.00 0.00 177.43 176.49 3ksb h LEU 405 N 0.85 0.65 -0.78 6.14 4.07 -0.79 -0.66 115.31 124.79 3ksb h LEU 405 Ca 0.13 -0.20 0.01 0.00 0.08 0.00 0.00 57.88 57.90 3ksb h LEU 405 Cb 0.69 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.22 3ksb h LEU 405 CO 0.05 0.67 0.51 0.11 -1.08 0.00 0.00 178.44 178.71 3ksb h LYS 406 N 0.60 1.02 0.12 1.13 1.57 -1.25 -2.50 116.57 117.25 3ksb h LYS 406 Ca 0.15 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3ksb h LYS 406 Cb 0.25 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3ksb h LYS 406 CO -0.01 0.68 -0.06 -0.24 -0.57 0.00 0.00 179.45 179.26 3ksb h VAL 407 N 1.05 1.02 0.00 0.50 3.04 -1.14 -2.99 116.25 117.74 3ksb h VAL 407 Ca 0.28 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 3ksb h VAL 407 Cb -0.12 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 3ksb h VAL 407 CO -0.06 0.13 0.00 -1.54 -1.01 0.00 0.00 177.57 175.09 3ksb n SER 408 N -5.04 0.00 -0.48 3.17 3.41 -0.27 -4.23 113.62 110.17 3ksb n SER 408 Ca -0.09 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3ksb n SER 408 Cb 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3ksb n SER 408 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3ksb n TYR 409 N -0.34 0.00 -3.64 7.33 0.53 -0.96 -4.88 117.16 115.20 3ksb n TYR 409 Ca 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 57.90 56.82 3ksb n TYR 409 Cb 0.00 -0.08 0.00 0.00 -1.03 0.00 0.00 39.34 38.23 3ksb n TYR 409 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 3ksb n ASP 410 N 0.06 -0.48 -4.56 7.72 5.68 -1.13 -4.91 116.55 118.92 3ksb n ASP 410 Ca 0.00 -0.19 -0.29 0.00 -0.50 0.00 0.00 54.79 53.81 3ksb n ASP 410 Cb 0.20 -0.22 0.17 0.00 -1.14 0.00 0.00 41.12 40.12 3ksb n ASP 410 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 3ksb s PHE 411 N -4.58 2.01 0.00 2.11 0.08 -1.24 -5.00 117.98 111.37 3ksb s PHE 411 Ca 0.06 0.80 0.00 0.00 0.12 0.00 0.00 56.93 57.91 3ksb s PHE 411 Cb -0.03 -3.41 0.00 0.00 -0.57 0.00 0.00 43.02 39.01 3ksb s PHE 411 CO 0.14 -2.80 0.00 0.25 -0.10 0.00 0.00 175.22 172.71 3ksb n THR 412 N -4.06 0.00 0.02 0.64 -2.24 -1.26 -4.56 114.28 102.82 3ksb n THR 412 Ca 0.08 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.82 3ksb n THR 412 Cb 0.59 -1.60 -0.02 0.00 -2.10 0.00 0.00 70.33 67.19 3ksb n THR 412 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3ksb h GLU 413 N 0.00 -0.16 -0.93 -0.78 4.57 -1.99 -3.08 114.58 112.22 3ksb h GLU 413 Ca 0.00 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 3ksb h GLU 413 Cb 0.00 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.57 3ksb h GLU 413 CO 0.00 -0.05 0.61 1.05 -1.18 0.00 0.00 179.01 179.44 3ksb h GLU 414 N -1.04 1.15 -0.97 1.92 9.09 -2.00 -0.44 114.58 122.29 3ksb h GLU 414 Ca -0.02 -0.07 0.05 0.00 0.05 0.00 0.00 59.36 59.38 3ksb h GLU 414 Cb 0.18 -0.26 -0.06 0.00 -1.65 0.00 0.00 28.75 26.95 3ksb h GLU 414 CO 0.03 0.76 0.63 1.96 0.05 0.00 0.00 179.01 182.44 3ksb h GLN 415 N 1.19 1.14 0.67 1.06 4.20 -1.93 -1.94 115.11 119.49 3ksb h GLN 415 Ca 0.36 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.98 3ksb h GLN 415 Cb -0.02 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.51 3ksb h GLN 415 CO -0.11 0.75 -0.35 0.00 -0.67 0.00 0.00 178.83 178.45 3ksb h ALA 416 N 1.43 -0.95 -0.71 3.87 0.00 -0.99 -0.22 119.26 121.69 3ksb h ALA 416 Ca 0.41 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.26 3ksb h ALA 416 Cb 0.11 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 3ksb h ALA 416 CO -0.16 -1.04 0.23 1.05 0.00 0.00 0.00 179.25 179.34 3ksb h GLU 417 N -0.94 0.35 0.17 0.00 9.09 -1.31 0.30 114.58 122.24 3ksb h GLU 417 Ca -0.09 -0.02 -0.00 0.00 0.05 0.00 0.00 59.36 59.30 3ksb h GLU 417 Cb 0.74 -0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 27.75 3ksb h GLU 417 CO 0.13 0.23 -0.13 0.00 0.05 0.00 0.00 179.01 179.29 3ksb h ALA 418 N 1.54 -0.28 -0.50 1.06 0.00 -0.98 0.13 119.26 120.24 3ksb h ALA 418 Ca 0.39 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 3ksb h ALA 418 Cb 0.60 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3ksb h ALA 418 CO -0.42 -0.67 0.14 0.82 0.00 0.00 0.00 179.25 179.12 3ksb h ILE 419 N -0.30 1.23 0.51 0.00 2.04 -0.53 -2.52 117.51 117.95 3ksb h ILE 419 Ca -0.01 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 3ksb h ILE 419 Cb 0.27 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3ksb h ILE 419 CO -0.01 0.29 -0.24 0.58 0.00 0.00 0.00 178.15 178.77 3ksb h VAL 420 N 0.68 0.47 0.00 1.67 2.07 -0.73 -3.14 116.25 117.26 3ksb h VAL 420 Ca 0.16 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3ksb h VAL 420 Cb 0.30 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3ksb h VAL 420 CO -0.00 0.03 0.00 0.71 0.02 0.00 0.00 177.57 178.33 3ksb h THR 421 N -0.82 0.00 -0.94 2.57 1.35 -0.78 -3.44 112.91 110.85 3ksb h THR 421 Ca -0.07 -0.16 -0.72 0.00 -0.55 0.00 0.00 66.41 64.91 3ksb h THR 421 Cb 0.58 0.89 0.06 0.00 -1.73 0.00 0.00 68.15 67.95 3ksb h THR 421 CO 0.11 0.00 -0.04 0.18 -0.25 0.00 0.00 175.52 175.53 3ksb n LEU 422 N -2.52 -0.20 0.00 3.87 4.77 -0.95 -4.93 117.00 117.03 3ksb n LEU 422 Ca -0.00 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 3ksb n LEU 422 Cb 0.15 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 3ksb n LEU 422 CO 0.18 -1.96 0.00 0.00 -1.33 0.00 0.00 177.39 174.27 3ksb n GLN 423 N 1.33 1.62 -0.07 3.23 6.02 -1.26 -5.01 117.38 123.23 3ksb n GLN 423 Ca 0.18 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.08 3ksb n GLN 423 Cb 0.10 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.28 3ksb n GLN 423 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3ksb n LEU 424 N 0.00 2.35 0.16 1.08 4.77 -1.26 -4.23 117.00 119.87 3ksb n LEU 424 Ca 0.00 -0.07 0.12 0.00 -0.03 0.00 0.00 56.01 56.03 3ksb n LEU 424 Cb 0.00 -0.36 0.59 0.00 -2.33 0.00 0.00 43.42 41.31 3ksb n LEU 424 CO 0.00 0.66 0.85 0.10 -1.33 0.00 0.00 177.39 177.68 3ksb h TYR 425 N 0.00 0.00 0.00 -1.77 -0.00 -2.01 0.13 116.97 113.31 3ksb h TYR 425 Ca -0.34 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.32 3ksb h TYR 425 Cb 1.58 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 38.31 3ksb h TYR 425 CO 0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 178.16 177.87 3ksb h ARG 426 N 0.00 0.00 0.00 0.10 2.47 -1.95 0.27 114.38 115.26 3ksb h ARG 426 Ca 0.00 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 3ksb h ARG 426 Cb 0.11 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 3ksb h ARG 426 CO 0.00 0.31 -0.21 -0.07 0.56 0.00 0.00 179.97 180.56 3ksb h LEU 427 N 0.00 0.00 -2.43 3.04 3.38 -0.97 -2.35 115.31 115.98 3ksb h LEU 427 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ksb h LEU 427 Cb 0.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3ksb h LEU 427 CO 0.04 0.21 0.19 0.00 0.09 0.00 0.00 178.44 178.97 3ksb h THR 428 N 0.00 0.02 -3.12 0.22 1.03 -1.00 -3.27 112.91 106.79 3ksb h THR 428 Ca -0.00 0.00 -0.62 0.00 -0.01 0.00 0.00 66.41 65.77 3ksb h THR 428 Cb 0.53 0.81 -0.41 0.00 -1.07 0.00 0.00 68.15 68.01 3ksb h THR 428 CO 0.03 0.00 -0.64 0.21 -0.01 0.00 0.00 175.52 175.11 3ksb s ASN 429 N -4.79 4.30 -0.28 0.00 2.47 -0.88 -5.01 114.94 110.74 3ksb s ASN 429 Ca -0.04 -3.39 -0.05 0.00 0.42 0.00 0.00 52.86 49.79 3ksb s ASN 429 Cb 0.11 -1.49 0.01 0.00 -1.45 0.00 0.00 41.25 38.43 3ksb s ASN 429 CO 0.34 -0.16 0.04 0.28 -3.72 0.00 0.00 177.10 173.89 3ksb s THR 430 N -0.77 3.66 -0.41 -5.21 -1.32 -1.24 -4.98 115.64 105.38 3ksb s THR 430 Ca 0.22 -0.79 0.04 0.00 -1.21 0.00 0.00 61.69 59.95 3ksb s THR 430 Cb -0.13 -2.89 0.30 0.00 -1.51 0.00 0.00 72.50 68.27 3ksb s THR 430 CO -0.09 0.11 1.17 -0.67 -2.21 0.00 0.00 174.62 172.92 3ksb n ASP 431 N 4.81 -1.97 -0.03 8.08 4.64 -1.26 -5.03 116.55 125.78 3ksb n ASP 431 Ca -0.15 -2.75 0.15 0.00 -1.38 0.00 0.00 54.79 50.66 3ksb n ASP 431 Cb 0.48 1.47 0.23 0.00 -1.04 0.00 0.00 41.12 42.25 3ksb n ASP 431 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 3ksb n VAL 432 N 0.91 0.00 -0.01 5.18 0.31 -1.26 -1.42 118.33 122.04 3ksb n VAL 432 Ca 0.03 0.92 -0.09 0.00 -0.01 0.00 0.00 64.34 65.18 3ksb n VAL 432 Cb 0.70 -1.69 -0.03 0.00 -0.91 0.00 0.00 33.84 31.91 3ksb n VAL 432 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3ksb h VAL 433 N 0.00 0.72 0.03 2.52 2.07 -1.98 0.19 116.25 119.80 3ksb h VAL 433 Ca 0.26 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.78 3ksb h VAL 433 Cb 2.06 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 3ksb h VAL 433 CO -0.00 0.00 -0.02 -0.37 0.02 0.00 0.00 177.57 177.20 3ksb h VAL 434 N -0.10 0.97 -0.59 2.57 -1.51 -1.68 -0.26 116.25 115.66 3ksb h VAL 434 Ca 0.09 -0.02 0.08 0.00 -1.23 0.00 0.00 66.70 65.62 3ksb h VAL 434 Cb 0.22 0.99 -0.07 0.00 -2.13 0.00 0.00 31.29 30.30 3ksb h VAL 434 CO -0.20 0.00 0.23 -0.07 -1.23 0.00 0.00 177.57 176.31 3ksb h LEU 435 N -0.05 0.26 -0.82 4.19 3.38 -1.68 -0.52 115.31 120.07 3ksb h LEU 435 Ca -0.00 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3ksb h LEU 435 Cb 0.04 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3ksb h LEU 435 CO 0.01 0.16 0.51 1.56 0.09 0.00 0.00 178.44 180.77 3ksb h GLN 436 N 0.43 0.91 -0.05 1.13 1.08 -0.66 0.10 115.11 118.06 3ksb h GLN 436 Ca 0.29 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.47 3ksb h GLN 436 Cb 0.33 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 3ksb h GLN 436 CO -0.28 0.60 -0.19 0.93 -0.95 0.00 0.00 178.83 178.94 3ksb h GLU 437 N 0.94 -0.28 -0.82 1.46 5.08 0.51 0.74 114.58 122.21 3ksb h GLU 437 Ca 0.35 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3ksb h GLU 437 Cb 0.14 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3ksb h GLU 437 CO -0.16 -0.19 0.53 0.93 -1.00 0.00 0.00 179.01 179.12 3ksb h GLU 438 N -0.29 1.10 -0.28 2.33 5.08 -0.67 -0.90 114.58 120.95 3ksb h GLU 438 Ca 0.07 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3ksb h GLU 438 Cb 0.39 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3ksb h GLU 438 CO -0.22 0.74 0.16 1.49 -1.00 0.00 0.00 179.01 180.19 3ksb h GLU 439 N 1.12 0.32 -0.54 2.33 4.81 -0.19 0.17 114.58 122.61 3ksb h GLU 439 Ca 0.30 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.59 3ksb h GLU 439 Cb -0.10 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.14 3ksb h GLU 439 CO -0.06 0.21 0.19 0.00 -0.73 0.00 0.00 179.01 178.62 3ksb h ALA 440 N 1.12 0.66 -0.13 2.92 0.00 -0.36 0.09 119.26 123.56 3ksb h ALA 440 Ca 0.11 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3ksb h ALA 440 Cb -0.01 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3ksb h ALA 440 CO -0.05 -0.21 -0.07 1.49 0.00 0.00 0.00 179.25 180.42 3ksb h GLU 441 N 0.37 -0.06 -0.19 0.00 4.81 -0.31 -1.31 114.58 117.89 3ksb h GLU 441 Ca 0.26 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3ksb h GLU 441 Cb 0.30 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3ksb h GLU 441 CO -0.27 -0.04 0.11 -0.07 -0.73 0.00 0.00 179.01 178.02 3ksb h LEU 442 N -0.06 0.24 -0.56 1.64 3.38 0.03 -1.09 115.31 118.89 3ksb h LEU 442 Ca 0.07 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3ksb h LEU 442 Cb 0.17 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3ksb h LEU 442 CO -0.17 0.23 0.35 -0.09 0.09 0.00 0.00 178.44 178.85 3ksb h ARG 443 N 0.22 0.67 -0.29 1.13 2.43 -0.70 0.73 114.38 118.57 3ksb h ARG 443 Ca 0.07 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3ksb h ARG 443 Cb 0.04 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 3ksb h ARG 443 CO -0.01 0.44 0.07 0.93 -1.51 0.00 0.00 179.97 179.89 3ksb h GLU 444 N 0.69 0.17 -0.25 0.20 5.08 -0.99 -2.10 114.58 117.37 3ksb h GLU 444 Ca 0.22 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3ksb h GLU 444 Cb -0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3ksb h GLU 444 CO -0.08 0.11 0.13 1.57 -1.00 0.00 0.00 179.01 179.73 3ksb h LYS 445 N 0.18 0.26 0.28 2.33 2.10 -0.14 -2.03 116.57 119.55 3ksb h LYS 445 Ca 0.13 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.75 3ksb h LYS 445 Cb 0.13 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 3ksb h LYS 445 CO -0.17 0.17 -0.14 0.82 -2.00 0.00 0.00 179.45 178.14 3ksb h ILE 446 N 0.27 0.74 -0.40 0.07 2.04 -0.69 -0.04 117.51 119.51 3ksb h ILE 446 Ca 0.10 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3ksb h ILE 446 Cb 0.03 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3ksb h ILE 446 CO -0.07 0.03 0.08 0.00 0.00 0.00 0.00 178.15 178.19 3ksb h ALA 447 N 0.25 1.40 0.05 1.87 0.00 -1.39 0.12 119.26 121.55 3ksb h ALA 447 Ca -0.04 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3ksb h ALA 447 Cb 0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ksb h ALA 447 CO 0.06 0.43 -0.10 1.98 0.00 0.00 0.00 179.25 181.63 3ksb h MET 448 N 0.58 -0.18 0.05 0.00 1.85 -1.16 -3.03 114.93 113.03 3ksb h MET 448 Ca 0.13 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.24 3ksb h MET 448 Cb 0.25 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.31 3ksb h MET 448 CO -0.00 -0.12 -0.06 -0.07 -0.40 0.00 0.00 176.91 176.26 3ksb h LEU 449 N -0.19 -0.16 -2.00 3.39 3.38 0.21 -2.31 115.31 117.62 3ksb h LEU 449 Ca 0.02 0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.21 3ksb h LEU 449 Cb 0.21 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3ksb h LEU 449 CO -0.06 -0.10 0.51 0.00 0.09 0.00 0.00 178.44 178.89 3ksb h ALA 450 N 0.81 2.67 0.78 1.53 0.00 -0.86 0.44 119.26 124.63 3ksb h ALA 450 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3ksb h ALA 450 Cb 0.14 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ksb h ALA 450 CO -0.03 -0.88 -0.38 0.00 0.00 0.00 0.00 179.25 177.96 3ksb h ALA 451 N 1.64 -1.28 -0.83 0.00 0.00 -1.29 -2.21 119.26 115.29 3ksb h ALA 451 Ca 0.34 -0.23 0.20 0.00 0.00 0.00 0.00 54.91 55.21 3ksb h ALA 451 Cb 1.36 0.41 -0.12 0.00 0.00 0.00 0.00 17.79 19.45 3ksb h ALA 451 CO -0.00 -1.21 0.30 0.82 0.00 0.00 0.00 179.25 179.16 3ksb h ILE 452 N -1.05 0.48 0.00 0.00 2.04 -0.89 0.27 117.51 118.36 3ksb h ILE 452 Ca -0.11 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3ksb h ILE 452 Cb 0.81 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3ksb h ILE 452 CO 0.17 0.06 -0.06 0.40 0.00 0.00 0.00 178.15 178.73 3ksb h ILE 453 N 0.34 0.52 -0.29 -0.67 2.04 -1.25 -3.27 117.51 114.92 3ksb h ILE 453 Ca 0.50 -0.27 -0.23 0.00 1.00 0.00 0.00 64.86 65.87 3ksb h ILE 453 Cb 0.91 1.17 -0.39 0.00 -0.74 0.00 0.00 36.82 37.78 3ksb h ILE 453 CO -0.53 0.06 -1.07 0.61 0.00 0.00 0.00 178.15 177.22 3ksb n GLY 454 N -0.99 1.77 0.69 5.37 0.00 0.63 -4.90 105.19 107.77 3ksb n GLY 454 Ca -0.02 -1.06 0.03 0.00 0.00 0.00 0.00 46.02 44.97 3ksb n GLY 454 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ksb n ASP 455 N -0.24 0.84 0.00 1.61 5.68 0.61 -4.97 116.55 120.08 3ksb n ASP 455 Ca 0.08 -2.38 0.00 0.00 -0.50 0.00 0.00 54.79 52.00 3ksb n ASP 455 Cb 0.92 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 3ksb n ASP 455 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3ksb n GLU 456 N -0.23 0.00 -0.07 0.11 4.07 -1.26 -0.83 120.64 122.43 3ksb n GLU 456 Ca 0.06 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.03 3ksb n GLU 456 Cb 0.80 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 32.12 3ksb n GLU 456 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 3ksb h ARG 457 N 0.00 0.47 -0.99 5.31 1.12 -1.95 -2.60 114.38 115.73 3ksb h ARG 457 Ca 0.00 -0.25 0.18 0.00 -1.11 0.00 0.00 59.98 58.80 3ksb h ARG 457 Cb 0.00 0.01 -0.11 0.00 -0.01 0.00 0.00 29.97 29.86 3ksb h ARG 457 CO 0.00 0.83 0.60 1.15 -3.11 0.00 0.00 179.97 179.44 3ksb h THR 458 N 0.14 0.72 0.29 0.20 2.02 -1.34 -1.69 112.91 113.25 3ksb h THR 458 Ca 0.03 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 3ksb h THR 458 Cb 0.74 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 3ksb h THR 458 CO 0.05 0.14 -0.14 -0.03 0.37 0.00 0.00 175.52 175.91 3ksb h MET 459 N 0.77 -0.37 -0.24 6.66 1.85 -1.71 -2.91 114.93 118.97 3ksb h MET 459 Ca 0.57 0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.68 3ksb h MET 459 Cb 0.86 0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.96 3ksb h MET 459 CO -0.38 -0.14 0.14 1.88 -0.40 0.00 0.00 176.91 178.01 3ksb h TYR 460 N -0.56 0.31 -0.39 1.39 0.05 -1.05 -2.02 116.97 114.72 3ksb h TYR 460 Ca -0.04 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 3ksb h TYR 460 Cb 0.41 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 3ksb h TYR 460 CO -0.01 0.22 0.19 -0.91 -1.05 0.00 0.00 178.16 176.60 3ksb h ASN 461 N 0.33 0.50 -0.89 3.88 2.35 -1.28 -0.51 115.58 119.97 3ksb h ASN 461 Ca 0.09 -0.12 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 3ksb h ASN 461 Cb -0.00 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.19 3ksb h ASN 461 CO -0.02 0.47 0.59 0.25 -1.65 0.00 0.00 177.43 177.07 3ksb h LEU 462 N 0.49 0.98 -0.59 1.61 6.46 -1.20 -0.14 115.31 122.93 3ksb h LEU 462 Ca 0.13 -0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.92 3ksb h LEU 462 Cb 0.10 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 39.75 3ksb h LEU 462 CO -0.02 0.69 0.34 0.24 -0.62 0.00 0.00 178.44 179.07 3ksb h MET 463 N 1.15 0.64 0.05 1.25 2.86 -0.94 -1.27 114.93 118.67 3ksb h MET 463 Ca 0.34 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.94 3ksb h MET 463 Cb -0.04 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.48 3ksb h MET 463 CO -0.09 0.42 -0.02 0.87 1.06 0.00 0.00 176.91 179.14 3ksb h LYS 464 N 0.66 -0.07 0.24 1.72 6.56 -0.26 -2.35 116.57 123.08 3ksb h LYS 464 Ca 0.25 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.85 3ksb h LYS 464 Cb 0.08 0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.73 3ksb h LYS 464 CO -0.13 0.01 -0.30 1.57 -2.06 0.00 0.00 179.45 178.54 3ksb h LYS 465 N -0.12 -0.57 -0.96 3.15 2.10 -0.80 -0.83 116.57 118.53 3ksb h LYS 465 Ca -0.01 0.04 0.08 0.00 -2.00 0.00 0.00 60.65 58.76 3ksb h LYS 465 Cb 0.10 0.13 -0.07 0.00 -0.90 0.00 0.00 32.23 31.49 3ksb h LYS 465 CO 0.01 -0.38 0.61 0.93 -2.00 0.00 0.00 179.45 178.62 3ksb h GLU 466 N -0.59 1.04 -0.53 0.07 5.08 -1.23 0.84 114.58 119.25 3ksb h GLU 466 Ca -0.00 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3ksb h GLU 466 Cb 0.56 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3ksb h GLU 466 CO -0.09 0.69 0.23 -0.07 -1.00 0.00 0.00 179.01 178.77 3ksb h LEU 467 N 1.07 0.71 -0.23 1.33 -0.00 -0.97 -1.20 115.31 116.03 3ksb h LEU 467 Ca 0.43 -0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 58.15 3ksb h LEU 467 Cb 0.24 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 3ksb h LEU 467 CO -0.20 0.67 0.10 0.03 -0.00 0.00 0.00 178.44 179.04 3ksb h ARG 468 N 0.71 0.34 -0.66 1.13 3.08 0.13 0.27 114.38 119.39 3ksb h ARG 468 Ca 0.18 -0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.28 3ksb h ARG 468 Cb 0.16 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3ksb h ARG 468 CO -0.02 0.38 0.44 0.93 -1.07 0.00 0.00 179.97 180.63 3ksb h GLU 469 N 0.23 0.45 -0.06 0.04 4.39 -0.59 -0.20 114.58 118.84 3ksb h GLU 469 Ca 0.08 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 3ksb h GLU 469 Cb 0.16 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3ksb h GLU 469 CO -0.01 0.30 -0.23 0.28 -1.16 0.00 0.00 179.01 178.19 3ksb h VAL 470 N 0.46 1.44 -0.95 3.13 2.07 -0.93 -3.04 116.25 118.44 3ksb h VAL 470 Ca 0.31 -1.65 0.11 0.00 0.82 0.00 0.00 66.70 66.29 3ksb h VAL 470 Cb 0.59 2.35 -0.08 0.00 -1.52 0.00 0.00 31.29 32.62 3ksb h VAL 470 CO -0.09 0.47 0.58 0.11 0.02 0.00 0.00 177.57 178.65 3ksb h LYS 471 N -0.26 0.91 0.62 1.57 1.57 0.07 -1.47 116.57 119.58 3ksb h LYS 471 Ca -0.01 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3ksb h LYS 471 Cb 0.88 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.99 3ksb h LYS 471 CO 0.05 0.60 -0.30 1.57 -0.57 0.00 0.00 179.45 180.80 3ksb h LYS 472 N 0.93 -0.80 0.06 3.15 -0.00 -1.15 -1.19 116.57 117.57 3ksb h LYS 472 Ca 0.47 0.05 0.03 0.00 -0.00 0.00 0.00 60.65 61.20 3ksb h LYS 472 Cb 0.45 0.18 -0.05 0.00 -0.00 0.00 0.00 32.23 32.81 3ksb h LYS 472 CO -0.26 -0.53 -0.36 -0.22 -0.00 0.00 0.00 179.45 178.07 3ksb h LYS 473 N -0.83 -0.53 -0.45 0.07 3.64 -1.35 -2.75 116.57 114.37 3ksb h LYS 473 Ca -0.08 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3ksb h LYS 473 Cb 0.63 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3ksb h LYS 473 CO 0.14 -0.36 0.00 1.19 -2.27 0.00 0.00 179.45 178.15 3ksb n PHE 474 N -5.44 0.62 -1.84 1.91 3.72 -0.58 -4.95 117.46 110.89 3ksb n PHE 474 Ca -0.06 -0.29 -0.39 0.00 -0.05 0.00 0.00 57.45 56.66 3ksb n PHE 474 Cb 0.35 -0.03 0.02 0.00 -0.94 0.00 0.00 39.48 38.88 3ksb n PHE 474 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ksb s ALA 475 N -1.50 3.06 -0.08 4.37 0.00 -0.45 -4.85 121.76 122.31 3ksb s ALA 475 Ca 0.28 1.36 -0.13 0.00 0.00 0.00 0.00 51.96 53.47 3ksb s ALA 475 Cb 0.15 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.74 3ksb s ALA 475 CO 0.18 -1.20 0.34 0.99 0.00 0.00 0.00 175.76 176.06 3ksb s THR 476 N -1.27 0.02 1.08 0.00 2.01 -1.26 -5.04 115.64 111.18 3ksb s THR 476 Ca 0.65 -0.20 -0.13 0.00 0.31 0.00 0.00 61.69 62.32 3ksb s THR 476 Cb -0.41 -0.55 0.19 0.00 0.01 0.00 0.00 72.50 71.74 3ksb s THR 476 CO 0.51 -0.11 0.74 -2.65 -0.69 0.00 0.00 174.62 172.42 3ksb n PRO 477 N 2.20 -1.56 -1.65 4.92 -0.02 -1.26 -4.75 135.00 132.87 3ksb n PRO 477 Ca -0.17 -0.42 -0.33 0.00 -2.02 0.00 0.00 63.50 60.57 3ksb n PRO 477 Cb 0.57 -2.07 0.06 0.00 -0.02 0.00 0.00 33.50 32.04 3ksb n PRO 477 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ksb s ARG 478 N -4.13 2.64 0.00 -0.52 0.52 -1.26 -4.96 118.95 111.23 3ksb s ARG 478 Ca 0.64 1.42 0.00 0.00 -0.52 0.00 0.00 55.73 57.26 3ksb s ARG 478 Cb -0.21 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.33 3ksb s ARG 478 CO 0.64 -1.38 0.00 1.47 0.02 0.00 0.00 175.30 176.05 3ksb n LEU 479 N -2.59 2.08 -4.85 2.53 -0.00 -1.26 -5.02 117.00 107.89 3ksb n LEU 479 Ca 0.11 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.78 3ksb n LEU 479 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.88 3ksb n LEU 479 CO 0.48 0.35 0.36 -0.94 -0.00 0.00 0.00 177.39 177.64 3ksb s SER 480 N -3.65 6.79 0.16 1.45 1.04 -1.26 -4.24 113.70 113.99 3ksb s SER 480 Ca 0.00 1.21 0.10 0.00 0.48 0.00 0.00 55.95 57.74 3ksb s SER 480 Cb 0.00 -2.34 -0.04 0.00 0.10 0.00 0.00 66.02 63.73 3ksb s SER 480 CO 0.00 -0.12 -0.20 -0.94 0.98 0.00 0.00 173.24 172.97 3ksb s SER 481 N -2.15 3.73 -0.15 7.02 1.04 -0.84 -4.94 113.70 117.40 3ksb s SER 481 Ca 0.50 -0.70 -0.00 0.00 0.48 0.00 0.00 55.95 56.23 3ksb s SER 481 Cb -0.12 -0.43 -0.01 0.00 0.10 0.00 0.00 66.02 65.56 3ksb s SER 481 CO 0.19 0.14 -0.14 -0.76 0.98 0.00 0.00 173.24 173.65 3ksb s LEU 482 N -2.47 2.56 0.00 2.42 1.43 -1.26 -0.40 118.68 120.96 3ksb s LEU 482 Ca 0.20 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3ksb s LEU 482 Cb -0.09 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.54 3ksb s LEU 482 CO 0.11 0.10 0.12 -0.62 0.23 0.00 0.00 176.35 176.29