#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krb s ASN 3 N 0.00 0.11 -0.07 4.04 0.01 -1.26 -5.14 114.94 112.64 1krb s ASN 3 Ca 0.00 -0.25 -0.06 0.00 -0.71 0.00 0.00 52.86 51.85 1krb s ASN 3 Cb 0.00 0.07 0.02 0.00 0.41 0.00 0.00 41.25 41.75 1krb s ASN 3 CO 0.00 -0.17 0.17 -0.51 -1.51 0.00 0.00 177.10 175.09 1krb s ILE 4 N -0.78 -0.00 0.56 0.60 2.07 -1.26 -5.14 121.20 117.25 1krb s ILE 4 Ca -0.09 0.01 -0.19 0.00 -1.41 0.00 0.00 60.65 58.98 1krb s ILE 4 Cb -0.05 -0.25 -0.05 0.00 0.13 0.00 0.00 42.46 42.24 1krb s ILE 4 CO -0.00 0.00 1.12 -0.94 -1.91 0.00 0.00 174.94 173.21 1krb s SER 5 N 0.16 5.68 0.39 4.50 1.04 -1.26 -4.86 113.70 119.35 1krb s SER 5 Ca -0.01 2.12 0.07 0.00 0.48 0.00 0.00 55.95 58.62 1krb s SER 5 Cb -0.02 -2.57 0.83 0.00 0.10 0.00 0.00 66.02 64.36 1krb s SER 5 CO -0.00 -1.25 2.01 0.03 0.98 0.00 0.00 173.24 175.01 1krb h ARG 6 N 1.02 0.61 -0.09 4.02 3.08 -2.01 0.05 114.38 121.06 1krb h ARG 6 Ca -0.49 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.50 1krb h ARG 6 Cb 1.25 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 1krb h ARG 6 CO 0.57 0.40 -0.03 0.37 -1.07 0.00 0.00 179.97 180.21 1krb h GLN 7 N 0.63 0.18 -0.74 0.04 5.75 -1.99 -0.52 115.11 118.46 1krb h GLN 7 Ca 0.24 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.64 1krb h GLN 7 Cb 0.15 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 1krb h GLN 7 CO -0.07 0.51 0.35 0.00 -2.65 0.00 0.00 178.83 176.97 1krb h ALA 8 N 0.66 1.23 0.19 3.38 0.00 -1.87 -1.51 119.26 121.34 1krb h ALA 8 Ca 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1krb h ALA 8 Cb 0.45 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1krb h ALA 8 CO 0.01 0.59 -0.11 -0.92 0.00 0.00 0.00 179.25 178.82 1krb h TYR 9 N 1.04 -0.30 -0.81 0.00 5.03 -0.79 -2.39 116.97 118.76 1krb h TYR 9 Ca 0.25 -0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.64 1krb h TYR 9 Cb 0.11 0.11 -0.07 0.00 1.55 0.00 0.00 36.73 38.44 1krb h TYR 9 CO 0.01 -0.18 0.47 0.00 -1.32 0.00 0.00 178.16 177.14 1krb h ALA 10 N 0.51 1.12 -0.07 1.82 0.00 -0.74 0.13 119.26 122.03 1krb h ALA 10 Ca -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1krb h ALA 10 Cb 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1krb h ALA 10 CO 0.02 0.15 0.02 -0.44 0.00 0.00 0.00 179.25 179.01 1krb h ASP 11 N 0.83 0.09 0.00 0.00 5.19 -0.95 0.38 116.42 121.97 1krb h ASP 11 Ca 0.37 -0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.47 1krb h ASP 11 Cb 0.26 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.70 1krb h ASP 11 CO -0.21 0.09 -1.66 0.23 -3.12 0.00 0.00 179.24 174.57 1krb n MET 12 N -4.50 0.58 -0.03 3.56 2.81 -0.63 -4.67 117.12 114.25 1krb n MET 12 Ca -0.02 0.48 0.08 0.00 -1.81 0.00 0.00 57.70 56.43 1krb n MET 12 Cb 0.10 -1.67 0.08 0.00 -0.71 0.00 0.00 33.22 31.02 1krb n MET 12 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1krb n PHE 13 N -4.33 0.08 0.00 2.03 3.72 0.36 -4.89 117.46 114.43 1krb n PHE 13 Ca -0.39 -0.06 0.00 0.00 -0.05 0.00 0.00 57.45 56.96 1krb n PHE 13 Cb 0.76 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 1krb n PHE 13 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1krb n GLY 14 N 0.91 -0.23 3.71 1.37 0.00 0.13 -4.26 105.19 106.82 1krb n GLY 14 Ca 0.10 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 1krb n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1krb s PRO 15 N -2.45 1.99 0.32 1.61 0.04 -1.26 -4.11 135.00 131.14 1krb s PRO 15 Ca 0.00 1.88 0.02 0.00 0.04 0.00 0.00 61.00 62.94 1krb s PRO 15 Cb 0.00 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 1krb s PRO 15 CO 0.00 -1.98 0.07 -2.37 0.04 0.00 0.00 177.00 172.76 1krb n THR 16 N -2.75 0.00 -1.69 1.26 5.66 -1.26 -4.94 114.28 110.55 1krb n THR 16 Ca 0.14 -1.72 -0.64 0.00 -3.05 0.00 0.00 64.05 58.78 1krb n THR 16 Cb 0.50 0.53 -0.09 0.00 -1.55 0.00 0.00 70.33 69.72 1krb n THR 16 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1krb n VAL 17 N -0.74 0.03 0.00 1.08 0.31 -1.26 -0.93 118.33 116.82 1krb n VAL 17 Ca -0.08 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1krb n VAL 17 Cb 0.45 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 1krb n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1krb n GLY 18 N 3.47 3.34 3.80 2.92 0.00 -0.92 -4.98 105.19 112.81 1krb n GLY 18 Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 1krb n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1krb s ASP 19 N -0.63 6.58 0.15 1.61 1.01 -0.11 -4.83 116.67 120.45 1krb s ASP 19 Ca 0.00 1.88 0.09 0.00 0.71 0.00 0.00 52.55 55.23 1krb s ASP 19 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1krb s ASP 19 CO 0.00 -0.62 -0.17 -0.54 0.21 0.00 0.00 175.17 174.06 1krb s LYS 20 N -3.10 1.81 -0.02 8.23 1.02 -1.26 -1.94 119.74 124.48 1krb s LYS 20 Ca 0.64 -1.26 0.01 0.00 0.02 0.00 0.00 55.97 55.38 1krb s LYS 20 Cb -0.15 -2.08 0.01 0.00 -0.52 0.00 0.00 37.83 35.09 1krb s LYS 20 CO 0.19 0.45 -0.03 0.08 -0.92 0.00 0.00 175.35 175.13 1krb s VAL 21 N -1.39 0.32 0.04 3.17 1.01 -0.10 -4.96 120.40 118.50 1krb s VAL 21 Ca 0.20 -0.07 -0.27 0.00 0.00 0.00 0.00 61.98 61.84 1krb s VAL 21 Cb -0.10 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 1krb s VAL 21 CO 0.11 0.14 0.84 -0.60 0.00 0.00 0.00 175.10 175.60 1krb s ARG 22 N 0.53 4.55 -0.47 2.72 3.52 -1.26 -1.19 118.95 127.35 1krb s ARG 22 Ca -0.06 1.20 -0.27 0.00 -0.13 0.00 0.00 55.73 56.47 1krb s ARG 22 Cb -0.09 -3.39 0.03 0.00 -1.56 0.00 0.00 34.95 29.94 1krb s ARG 22 CO -0.01 0.19 1.00 -0.51 -0.81 0.00 0.00 175.30 175.17 1krb s LEU 23 N 0.22 3.87 0.00 -0.88 1.43 -0.41 -4.76 118.68 118.14 1krb s LEU 23 Ca 0.43 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1krb s LEU 23 Cb -0.21 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1krb s LEU 23 CO 0.25 -1.14 0.00 0.00 0.23 0.00 0.00 176.35 175.69 1krb n ALA 24 N 7.44 0.00 -1.32 4.21 0.00 -0.37 -1.74 120.51 128.72 1krb n ALA 24 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 1krb n ALA 24 Cb 0.49 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.15 1krb n ALA 24 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1krb n ASP 25 N 3.34 3.05 -4.05 0.00 5.75 -1.26 -4.85 116.55 118.53 1krb n ASP 25 Ca 0.00 -3.60 -0.17 0.00 -0.01 0.00 0.00 54.79 51.01 1krb n ASP 25 Cb 0.00 -0.66 0.09 0.00 -1.03 0.00 0.00 41.12 39.51 1krb n ASP 25 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1krb n THR 26 N -0.97 0.00 -0.70 2.12 -2.24 -0.71 -4.78 114.28 107.00 1krb n THR 26 Ca 0.36 -1.28 0.06 0.00 -2.27 0.00 0.00 64.05 60.92 1krb n THR 26 Cb 1.14 -0.93 0.37 0.00 -2.10 0.00 0.00 70.33 68.81 1krb n THR 26 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1krb n GLU 27 N -2.36 4.47 -3.70 -0.78 -0.58 -1.26 -4.68 120.64 111.75 1krb n GLU 27 Ca 0.13 -2.84 -0.37 0.00 -0.42 0.00 0.00 57.16 53.66 1krb n GLU 27 Cb 0.46 -2.18 -0.07 0.00 -0.57 0.00 0.00 31.44 29.09 1krb n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1krb s LEU 28 N -2.44 4.33 -0.04 -4.62 1.43 -1.26 -5.03 118.68 111.04 1krb s LEU 28 Ca 0.49 0.51 0.04 0.00 -1.03 0.00 0.00 54.13 54.14 1krb s LEU 28 Cb 0.37 -2.24 -0.00 0.00 0.03 0.00 0.00 46.19 44.35 1krb s LEU 28 CO 0.15 0.27 -0.17 0.26 0.23 0.00 0.00 176.35 177.09 1krb s TRP 29 N -0.35 1.68 0.17 0.29 0.52 -1.26 -1.29 118.94 118.69 1krb s TRP 29 Ca 0.15 -0.45 0.08 0.00 0.02 0.00 0.00 56.10 55.90 1krb s TRP 29 Cb -0.13 -1.12 -0.04 0.00 -1.15 0.00 0.00 33.47 31.03 1krb s TRP 29 CO 0.04 -0.14 -0.05 0.96 0.02 0.00 0.00 176.95 177.78 1krb s ILE 30 N -0.03 3.48 -0.08 2.03 -4.36 -0.34 -1.28 121.20 120.62 1krb s ILE 30 Ca -0.02 -1.48 0.02 0.00 -0.26 0.00 0.00 60.65 58.91 1krb s ILE 30 Cb -0.11 -2.72 0.01 0.00 1.25 0.00 0.00 42.46 40.90 1krb s ILE 30 CO 0.02 -0.08 -0.13 -0.70 0.24 0.00 0.00 174.94 174.29 1krb s GLU 31 N -2.79 1.84 -0.11 0.37 2.12 -1.26 -0.92 118.70 117.95 1krb s GLU 31 Ca 0.26 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.84 1krb s GLU 31 Cb -0.09 -1.54 -0.07 0.00 0.26 0.00 0.00 34.13 32.68 1krb s GLU 31 CO 0.17 0.00 2.10 0.28 -0.54 0.00 0.00 175.26 177.26 1krb n VAL 32 N 3.94 0.54 0.05 3.70 0.31 -0.82 -4.85 118.33 121.21 1krb n VAL 32 Ca -0.21 -0.30 -0.08 0.00 -0.01 0.00 0.00 64.34 63.74 1krb n VAL 32 Cb 0.52 -2.38 -0.12 0.00 -0.91 0.00 0.00 33.84 30.94 1krb n VAL 32 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1krb h GLU 33 N 12.71 0.03 -2.61 5.55 5.08 -1.46 -2.44 114.58 131.44 1krb h GLU 33 Ca -0.45 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 57.80 1krb h GLU 33 Cb 1.25 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 30.36 1krb h GLU 33 CO 0.95 0.97 0.13 0.34 -1.00 0.00 0.00 179.01 180.40 1krb s ASP 34 N -6.69 -0.54 -0.09 1.42 -1.08 -1.25 -4.92 116.67 103.53 1krb s ASP 34 Ca -0.00 0.29 -0.01 0.00 -0.52 0.00 0.00 52.55 52.30 1krb s ASP 34 Cb 0.09 0.53 0.03 0.00 -1.46 0.00 0.00 42.92 42.11 1krb s ASP 34 CO 0.83 -0.75 -0.03 -0.62 0.52 0.00 0.00 175.17 175.11 1krb s ASP 35 N -1.95 1.78 0.00 -0.34 -1.08 -1.26 -0.29 116.67 113.53 1krb s ASP 35 Ca -0.05 -0.17 0.14 0.00 -0.52 0.00 0.00 52.55 51.95 1krb s ASP 35 Cb -0.01 -0.59 0.52 0.00 -1.46 0.00 0.00 42.92 41.38 1krb s ASP 35 CO -0.01 -0.16 1.38 0.18 0.52 0.00 0.00 175.17 177.08 1krb n LEU 36 N 5.02 1.36 -4.94 -1.34 4.32 -0.20 -4.93 117.00 116.29 1krb n LEU 36 Ca -0.10 -0.63 -0.25 0.00 -0.02 0.00 0.00 56.01 55.01 1krb n LEU 36 Cb 0.50 -0.13 0.07 0.00 -1.62 0.00 0.00 43.42 42.24 1krb n LEU 36 CO 0.13 0.32 0.58 0.28 -1.22 0.00 0.00 177.39 177.48 1krb s THR 37 N -1.73 2.32 -0.27 -5.08 -1.32 -1.26 -4.51 115.64 103.79 1krb s THR 37 Ca 0.24 -0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 1krb s THR 37 Cb 0.13 -2.97 0.05 0.00 -1.51 0.00 0.00 72.50 68.20 1krb s THR 37 CO 0.18 0.00 -0.06 -0.89 -2.21 0.00 0.00 174.62 171.64 1krb s THR 38 N -3.18 2.60 -0.00 5.08 2.01 -1.26 -5.07 115.64 115.81 1krb s THR 38 Ca 0.61 -1.41 -0.36 0.00 0.31 0.00 0.00 61.69 60.84 1krb s THR 38 Cb -0.10 -2.46 -0.15 0.00 0.01 0.00 0.00 72.50 69.80 1krb s THR 38 CO 0.44 0.00 1.61 -1.22 -0.69 0.00 0.00 174.62 174.76 1krb n TYR 39 N 4.55 2.02 0.00 4.92 4.01 -1.26 -0.89 117.16 130.51 1krb n TYR 39 Ca -0.14 0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.97 1krb n TYR 39 Cb 0.44 -2.49 0.00 0.00 -0.31 0.00 0.00 39.34 36.98 1krb n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1krb n GLY 40 N 3.53 0.47 0.51 2.72 0.00 -1.26 -4.89 105.19 106.26 1krb n GLY 40 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.28 1krb n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1krb n GLU 41 N -2.00 2.73 -1.94 1.61 -0.58 -0.07 -5.03 120.64 115.36 1krb n GLU 41 Ca 0.00 -2.20 -0.38 0.00 -0.42 0.00 0.00 57.16 54.16 1krb n GLU 41 Cb 0.00 -1.39 0.03 0.00 -0.57 0.00 0.00 31.44 29.51 1krb n GLU 41 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1krb s GLU 42 N -1.69 3.27 -0.11 3.49 8.01 -1.25 -4.86 118.70 125.57 1krb s GLU 42 Ca 0.24 2.06 -0.09 0.00 0.01 0.00 0.00 54.97 57.19 1krb s GLU 42 Cb 0.17 -2.25 -0.04 0.00 -4.31 0.00 0.00 34.13 27.69 1krb s GLU 42 CO 0.09 -1.03 0.19 0.14 0.01 0.00 0.00 175.26 174.66 1krb s VAL 43 N -1.40 5.41 -0.01 2.63 -7.23 -1.26 -4.94 120.40 113.60 1krb s VAL 43 Ca 0.70 0.32 -0.01 0.00 -1.81 0.00 0.00 61.98 61.18 1krb s VAL 43 Cb -0.36 -3.47 0.00 0.00 0.56 0.00 0.00 36.38 33.11 1krb s VAL 43 CO 0.42 0.58 0.03 -0.75 -0.31 0.00 0.00 175.10 175.08 1krb s LYS 44 N -0.77 0.07 -0.01 4.82 2.20 -1.26 -4.72 119.74 120.07 1krb s LYS 44 Ca 0.16 -0.01 0.01 0.00 -0.36 0.00 0.00 55.97 55.77 1krb s LYS 44 Cb -0.13 0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.19 1krb s LYS 44 CO 0.05 -0.01 -0.00 0.12 -0.36 0.00 0.00 175.35 175.14 1krb s PHE 45 N -0.12 3.07 0.00 4.03 5.36 -1.26 -1.71 117.98 127.35 1krb s PHE 45 Ca -0.02 0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.04 1krb s PHE 45 Cb -0.01 -1.68 0.00 0.00 -0.34 0.00 0.00 43.02 40.99 1krb s PHE 45 CO 0.00 0.45 0.00 0.41 -1.46 0.00 0.00 175.22 174.62 1krb n GLY 46 N 1.50 1.20 3.70 13.12 0.00 -1.26 -4.93 105.19 118.51 1krb n GLY 46 Ca -0.15 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 1krb n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1krb s GLY 47 N 0.00 1.46 -0.73 -0.02 0.00 -1.26 -1.78 107.32 104.98 1krb s GLY 47 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 44.72 46.07 1krb s GLY 47 CO 0.00 2.92 0.00 0.61 0.00 0.00 0.00 173.10 176.63 1krb n GLY 48 N 4.02 0.89 0.00 0.20 0.00 -1.26 -5.01 105.19 104.03 1krb n GLY 48 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1krb n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1krb n LYS 49 N -2.33 2.14 -0.01 1.61 4.76 -0.74 -5.06 118.16 118.54 1krb n LYS 49 Ca -0.07 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.19 1krb n LYS 49 Cb 0.29 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.34 1krb n LYS 49 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1krb h VAL 50 N -0.00 1.58 -0.43 -0.18 2.07 -1.63 -3.42 116.25 114.23 1krb h VAL 50 Ca 0.00 -2.44 -0.31 0.00 0.82 0.00 0.00 66.70 64.77 1krb h VAL 50 Cb 0.00 3.22 -0.04 0.00 -1.52 0.00 0.00 31.29 32.95 1krb h VAL 50 CO 0.00 0.66 0.99 -0.63 0.02 0.00 0.00 177.57 178.61 1krb s ILE 51 N -2.34 3.50 0.03 4.57 1.01 -0.72 -1.41 121.20 125.84 1krb s ILE 51 Ca -0.17 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.60 1krb s ILE 51 Cb -0.00 -4.53 -0.02 0.00 0.01 0.00 0.00 42.46 37.92 1krb s ILE 51 CO 0.76 -0.91 0.02 -0.13 0.00 0.00 0.00 174.94 174.68 1krb s ARG 52 N 6.63 0.44 -0.20 2.79 0.52 -1.26 -4.84 118.95 123.04 1krb s ARG 52 Ca 0.69 -0.70 -0.41 0.00 -0.52 0.00 0.00 55.73 54.79 1krb s ARG 52 Cb -0.01 0.17 -0.18 0.00 0.52 0.00 0.00 34.95 35.44 1krb s ARG 52 CO 0.14 -0.09 1.44 -3.47 0.02 0.00 0.00 175.30 173.34 1krb n ASP 53 N 1.18 1.25 0.00 0.23 2.03 -1.26 -0.87 116.55 119.10 1krb n ASP 53 Ca -0.21 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.24 1krb n ASP 53 Cb 0.57 -1.01 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 1krb n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1krb n GLY 54 N 3.09 2.96 0.00 0.27 0.00 -0.24 -4.87 105.19 106.40 1krb n GLY 54 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1krb n GLY 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1krb n MET 55 N -2.00 0.00 -0.01 1.61 2.81 -0.05 -4.83 117.12 114.64 1krb n MET 55 Ca 0.00 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.02 1krb n MET 55 Cb 0.00 0.00 0.64 0.00 -0.71 0.00 0.00 33.22 33.15 1krb n MET 55 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1krb n GLY 56 N 4.35 -0.55 3.15 3.03 0.00 -0.50 -4.40 105.19 110.27 1krb n GLY 56 Ca 0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 1krb n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1krb s GLN 57 N -1.96 1.66 0.00 1.61 0.74 -1.09 -3.35 119.66 117.27 1krb s GLN 57 Ca 0.37 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 55.16 1krb s GLN 57 Cb 0.18 -1.49 0.00 0.00 1.10 0.00 0.00 33.01 32.80 1krb s GLN 57 CO 0.30 0.30 0.00 0.41 -0.55 0.00 0.00 175.29 175.74 1krb n GLY 58 N 2.96 2.34 1.05 2.59 0.00 0.56 -1.08 105.19 113.60 1krb n GLY 58 Ca -0.17 -2.12 0.10 0.00 0.00 0.00 0.00 46.02 43.83 1krb n GLY 58 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1krb n GLN 59 N -0.70 2.46 -1.75 1.61 1.13 -1.26 -4.19 117.38 114.69 1krb n GLN 59 Ca 0.00 -2.24 -0.33 0.00 -1.94 0.00 0.00 57.00 52.48 1krb n GLN 59 Cb 0.00 -1.45 0.05 0.00 0.11 0.00 0.00 30.24 28.94 1krb n GLN 59 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1krb s MET 60 N -1.22 2.78 0.97 -1.09 0.23 -1.26 -5.02 119.30 114.69 1krb s MET 60 Ca 0.36 1.40 -0.14 0.00 -1.03 0.00 0.00 55.69 56.28 1krb s MET 60 Cb 0.20 -1.95 0.17 0.00 -1.53 0.00 0.00 34.83 31.73 1krb s MET 60 CO 0.27 -1.26 1.16 -0.51 -2.03 0.00 0.00 175.02 172.65 1krb s LEU 61 N -4.87 1.91 0.19 0.18 1.43 -1.26 -4.51 118.68 111.75 1krb s LEU 61 Ca 0.67 0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 54.46 1krb s LEU 61 Cb -0.21 -2.98 0.18 0.00 0.03 0.00 0.00 46.19 43.21 1krb s LEU 61 CO 0.42 -2.84 1.80 0.00 0.23 0.00 0.00 176.35 175.96 1krb h ALA 62 N -1.70 0.77 0.00 4.21 0.00 -1.96 -0.93 119.26 119.65 1krb h ALA 62 Ca -0.49 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1krb h ALA 62 Cb 1.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1krb h ALA 62 CO 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1krb h ALA 63 N 1.31 1.00 -0.49 0.00 0.00 -2.00 -2.52 119.26 116.56 1krb h ALA 63 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1krb h ALA 63 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1krb h ALA 63 CO -0.16 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.84 1krb n ASP 64 N -2.74 3.41 -4.16 0.00 8.00 -0.36 -4.97 116.55 115.73 1krb n ASP 64 Ca -0.02 -1.96 -0.11 0.00 0.71 0.00 0.00 54.79 53.41 1krb n ASP 64 Cb 0.09 -0.33 -0.10 0.00 -0.02 0.00 0.00 41.12 40.77 1krb n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1krb s VAL 66 N -4.10 4.70 0.06 0.00 -7.23 -0.87 -4.92 120.40 108.04 1krb s VAL 66 Ca 0.31 0.83 0.08 0.00 -1.81 0.00 0.00 61.98 61.39 1krb s VAL 66 Cb 0.07 -3.79 -0.22 0.00 0.56 0.00 0.00 36.38 33.00 1krb s VAL 66 CO 0.07 -0.82 1.06 0.44 -0.31 0.00 0.00 175.10 175.53 1krb h ASP 67 N 0.49 0.02 -3.70 4.85 3.32 -1.31 -3.32 116.42 116.78 1krb h ASP 67 Ca -0.46 -0.03 -0.22 0.00 0.02 0.00 0.00 57.03 56.34 1krb h ASP 67 Cb 1.19 -0.01 -0.28 0.00 0.22 0.00 0.00 39.33 40.45 1krb h ASP 67 CO 0.62 1.03 -0.63 -0.22 -1.72 0.00 0.00 179.24 178.31 1krb s LEU 68 N -6.53 1.53 -0.05 1.55 2.96 -0.77 0.23 118.68 117.62 1krb s LEU 68 Ca -0.01 0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 1krb s LEU 68 Cb 0.09 0.25 0.01 0.00 0.50 0.00 0.00 46.19 47.04 1krb s LEU 68 CO 0.82 -0.05 -0.12 0.54 -1.32 0.00 0.00 176.35 176.22 1krb s VAL 69 N 0.26 1.07 -0.39 1.68 0.11 -0.56 -0.41 120.40 122.16 1krb s VAL 69 Ca -0.02 -0.48 -0.11 0.00 -2.93 0.00 0.00 61.98 58.44 1krb s VAL 69 Cb -0.03 -0.96 0.05 0.00 -1.53 0.00 0.00 36.38 33.91 1krb s VAL 69 CO -0.01 0.33 0.23 -0.76 -3.33 0.00 0.00 175.10 171.56 1krb s LEU 70 N 0.38 4.91 0.21 2.54 1.02 0.53 -1.30 118.68 126.97 1krb s LEU 70 Ca -0.08 -1.19 -0.28 0.00 0.02 0.00 0.00 54.13 52.60 1krb s LEU 70 Cb -0.12 -2.02 -0.09 0.00 0.02 0.00 0.00 46.19 43.98 1krb s LEU 70 CO 0.02 -0.45 0.87 0.42 0.02 0.00 0.00 176.35 177.23 1krb s THR 71 N 1.51 4.21 -1.26 5.49 -4.23 -0.63 -1.09 115.64 119.64 1krb s THR 71 Ca 0.02 1.92 -0.12 0.00 -1.18 0.00 0.00 61.69 62.33 1krb s THR 71 Cb -0.21 -4.24 -0.00 0.00 1.34 0.00 0.00 72.50 69.39 1krb s THR 71 CO 0.05 0.51 0.62 0.59 -0.54 0.00 0.00 174.62 175.85 1krb n ASN 72 N 1.55 -2.92 -4.81 3.99 3.02 -1.26 -1.09 115.26 113.73 1krb n ASN 72 Ca -0.04 -1.03 -0.38 0.00 -0.03 0.00 0.00 54.58 53.11 1krb n ASN 72 Cb 0.48 -3.14 -0.06 0.00 -0.61 0.00 0.00 39.78 36.44 1krb n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1krb s ALA 73 N -3.69 3.68 -0.58 5.41 0.00 0.31 -2.75 121.76 124.14 1krb s ALA 73 Ca 0.26 -0.30 -0.19 0.00 0.00 0.00 0.00 51.96 51.72 1krb s ALA 73 Cb -0.10 -2.36 0.09 0.00 0.00 0.00 0.00 23.12 20.76 1krb s ALA 73 CO 0.88 0.39 0.69 -1.17 0.00 0.00 0.00 175.76 176.55 1krb s LEU 74 N -0.67 5.31 0.05 0.00 2.96 -0.98 -1.17 118.68 124.17 1krb s LEU 74 Ca 0.22 -1.34 -0.28 0.00 -0.22 0.00 0.00 54.13 52.51 1krb s LEU 74 Cb -0.15 -2.33 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 1krb s LEU 74 CO 0.10 -1.08 0.90 -0.63 -1.32 0.00 0.00 176.35 174.33 1krb s ILE 75 N 2.69 4.69 -0.23 6.68 1.01 0.11 -0.83 121.20 135.31 1krb s ILE 75 Ca 0.12 1.91 0.01 0.00 0.00 0.00 0.00 60.65 62.70 1krb s ILE 75 Cb -0.23 -4.25 0.06 0.00 0.01 0.00 0.00 42.46 38.04 1krb s ILE 75 CO 0.07 0.28 -0.07 -0.69 0.00 0.00 0.00 174.94 174.54 1krb s VAL 76 N 0.30 1.65 0.30 2.92 1.01 -0.74 -1.79 120.40 124.05 1krb s VAL 76 Ca 0.45 -1.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 1krb s VAL 76 Cb -0.22 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1krb s VAL 76 CO 0.27 -0.05 0.41 -0.62 0.00 0.00 0.00 175.10 175.11 1krb s ASP 77 N 1.35 0.59 0.52 3.32 2.15 -0.53 -4.51 116.67 119.55 1krb s ASP 77 Ca -0.06 -1.35 0.16 0.00 0.43 0.00 0.00 52.55 51.74 1krb s ASP 77 Cb -0.19 0.59 1.28 0.00 -0.30 0.00 0.00 42.92 44.30 1krb s ASP 77 CO -0.06 -1.17 2.15 1.12 -0.17 0.00 0.00 175.17 177.03 1krb h HIS 78 N 2.23 0.00 0.00 -5.34 2.07 -1.94 -2.81 115.15 109.36 1krb h HIS 78 Ca -0.29 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.23 1krb h HIS 78 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 1krb h HIS 78 CO 1.05 0.01 -0.53 0.11 -3.07 0.00 0.00 177.93 175.49 1krb h TRP 79 N 0.00 0.00 0.00 6.12 5.08 -1.96 -3.47 115.95 121.72 1krb h TRP 79 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1krb h TRP 79 Cb 0.01 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.17 1krb h TRP 79 CO 0.00 0.00 0.00 0.41 -1.28 0.00 0.00 178.44 177.57 1krb n GLY 80 N 1.28 0.73 2.68 11.11 0.00 -1.06 -5.05 105.19 114.87 1krb n GLY 80 Ca 0.03 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 1krb n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1krb s ILE 81 N -2.00 1.54 0.21 -0.61 1.01 -1.25 -1.45 121.20 118.65 1krb s ILE 81 Ca 0.00 -3.05 0.10 0.00 0.00 0.00 0.00 60.65 57.69 1krb s ILE 81 Cb 0.00 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 1krb s ILE 81 CO 0.00 -1.01 -0.18 0.68 0.00 0.00 0.00 174.94 174.43 1krb s VAL 82 N -0.22 2.05 -0.22 2.92 -7.23 -0.74 -1.06 120.40 115.90 1krb s VAL 82 Ca 0.24 -2.17 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 1krb s VAL 82 Cb -0.12 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 1krb s VAL 82 CO -0.10 -0.41 0.19 -0.75 -0.31 0.00 0.00 175.10 173.73 1krb s LYS 83 N -3.26 4.13 0.08 4.82 2.47 0.60 0.04 119.74 128.63 1krb s LYS 83 Ca 0.23 -0.17 -0.27 0.00 -1.56 0.00 0.00 55.97 54.19 1krb s LYS 83 Cb -0.04 -3.49 0.09 0.00 -1.46 0.00 0.00 37.83 32.92 1krb s LYS 83 CO 0.09 0.14 1.09 0.00 0.16 0.00 0.00 175.35 176.83 1krb s ALA 84 N 0.83 -1.89 0.16 3.13 0.00 -0.32 -1.04 121.76 122.63 1krb s ALA 84 Ca 0.10 0.37 -0.06 0.00 0.00 0.00 0.00 51.96 52.37 1krb s ALA 84 Cb -0.13 0.52 -0.06 0.00 0.00 0.00 0.00 23.12 23.45 1krb s ALA 84 CO 0.03 -1.04 0.42 -0.51 0.00 0.00 0.00 175.76 174.65 1krb s ASP 85 N -2.95 6.52 -0.15 0.00 1.01 -0.81 -0.53 116.67 119.77 1krb s ASP 85 Ca 0.13 0.66 0.02 0.00 0.71 0.00 0.00 52.55 54.07 1krb s ASP 85 Cb 0.01 -2.12 0.01 0.00 1.01 0.00 0.00 42.92 41.83 1krb s ASP 85 CO -0.00 0.02 -0.20 -0.63 0.21 0.00 0.00 175.17 174.57 1krb s ILE 86 N -1.70 1.96 -0.15 0.77 1.01 -0.25 -1.87 121.20 120.97 1krb s ILE 86 Ca 0.42 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 60.11 1krb s ILE 86 Cb -0.12 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 1krb s ILE 86 CO 0.24 0.53 0.07 -0.83 0.00 0.00 0.00 174.94 174.95 1krb s GLY 87 N 0.99 1.96 -0.08 6.18 0.00 -0.47 -0.34 107.32 115.56 1krb s GLY 87 Ca -0.03 -0.73 0.04 0.00 0.00 0.00 0.00 44.72 43.99 1krb s GLY 87 CO -0.05 -0.18 -0.20 0.14 0.00 0.00 0.00 173.10 172.81 1krb s VAL 88 N -0.24 1.70 -0.01 1.40 1.01 0.45 -0.57 120.40 124.14 1krb s VAL 88 Ca 0.08 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1krb s VAL 88 Cb -0.12 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.80 1krb s VAL 88 CO 0.01 0.48 0.02 -0.75 0.00 0.00 0.00 175.10 174.86 1krb s LYS 89 N 0.36 0.01 -1.87 2.72 2.20 -0.29 -1.03 119.74 121.84 1krb s LYS 89 Ca -0.14 0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 1krb s LYS 89 Cb -0.16 -0.19 0.00 0.00 -1.51 0.00 0.00 37.83 35.97 1krb s LYS 89 CO 0.06 -0.10 0.00 -0.25 -0.36 0.00 0.00 175.35 174.70 1krb n ASP 90 N 3.79 -5.79 0.00 1.43 8.00 -1.26 -1.36 116.55 121.36 1krb n ASP 90 Ca -0.22 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1krb n ASP 90 Cb 0.53 -4.87 0.00 0.00 -0.02 0.00 0.00 41.12 36.76 1krb n ASP 90 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1krb n GLY 91 N -0.88 0.66 3.38 0.44 0.00 -1.26 -5.02 105.19 102.51 1krb n GLY 91 Ca -0.24 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 1krb n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1krb s ARG 92 N -0.04 1.41 0.01 1.61 0.52 -0.47 -0.44 118.95 121.55 1krb s ARG 92 Ca 0.00 -1.53 -0.30 0.00 -0.52 0.00 0.00 55.73 53.38 1krb s ARG 92 Cb 0.00 -1.50 -0.06 0.00 0.52 0.00 0.00 34.95 33.91 1krb s ARG 92 CO 0.00 0.30 1.44 0.42 0.02 0.00 0.00 175.30 177.47 1krb s ILE 93 N -2.19 3.63 -0.24 1.52 1.01 0.42 -1.13 121.20 124.21 1krb s ILE 93 Ca 0.21 1.02 -0.17 0.00 0.00 0.00 0.00 60.65 61.70 1krb s ILE 93 Cb -0.05 -3.65 -0.14 0.00 0.01 0.00 0.00 42.46 38.62 1krb s ILE 93 CO 0.09 -0.01 -0.13 0.33 0.00 0.00 0.00 174.94 175.23 1krb n PHE 94 N 5.45 0.43 -3.64 3.97 7.35 0.26 -0.53 117.46 130.75 1krb n PHE 94 Ca 0.14 0.19 -0.10 0.00 -0.76 0.00 0.00 57.45 56.92 1krb n PHE 94 Cb 0.43 -1.01 -0.02 0.00 0.35 0.00 0.00 39.48 39.23 1krb n PHE 94 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1krb s ALA 95 N -2.47 -1.37 -0.29 3.13 0.00 -1.05 -4.77 121.76 114.95 1krb s ALA 95 Ca -0.34 0.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.68 1krb s ALA 95 Cb 0.11 0.87 0.09 0.00 0.00 0.00 0.00 23.12 24.19 1krb s ALA 95 CO 0.52 -0.89 0.08 0.42 0.00 0.00 0.00 175.76 175.89 1krb s ILE 96 N -3.84 0.78 0.00 0.00 1.01 -1.26 -1.36 121.20 116.53 1krb s ILE 96 Ca 0.06 -1.21 0.00 0.00 0.00 0.00 0.00 60.65 59.50 1krb s ILE 96 Cb -0.03 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.92 1krb s ILE 96 CO -0.03 -0.58 0.00 0.61 0.00 0.00 0.00 174.94 174.94 1krb n GLY 97 N 4.90 1.80 3.13 6.18 0.00 -0.78 -4.95 105.19 115.46 1krb n GLY 97 Ca -0.04 0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1krb n GLY 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1krb s LYS 98 N 3.78 2.60 0.27 1.61 2.36 -1.26 -1.92 119.74 127.17 1krb s LYS 98 Ca 0.00 -1.12 -0.10 0.00 -2.55 0.00 0.00 55.97 52.20 1krb s LYS 98 Cb 0.00 -2.86 -0.07 0.00 -1.05 0.00 0.00 37.83 33.84 1krb s LYS 98 CO 0.00 -0.44 0.60 0.00 1.55 0.00 0.00 175.35 177.06 1krb s ALA 99 N 1.22 3.50 0.00 3.13 0.00 -1.26 0.21 121.76 128.57 1krb s ALA 99 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1krb s ALA 99 Cb -0.17 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.44 1krb s ALA 99 CO -0.06 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.51 1krb n GLY 100 N -0.35 -0.36 3.32 0.00 0.00 -0.45 -4.66 105.19 102.69 1krb n GLY 100 Ca 0.01 -1.26 -0.38 0.00 0.00 0.00 0.00 46.02 44.39 1krb n GLY 100 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1krb s ASN 101 N -4.00 5.26 0.64 1.61 2.47 -1.21 -1.84 114.94 117.87 1krb s ASN 101 Ca 0.00 -0.91 0.41 0.00 0.42 0.00 0.00 52.86 52.79 1krb s ASN 101 Cb 0.00 -1.89 2.22 0.00 -1.45 0.00 0.00 41.25 40.13 1krb s ASN 101 CO 0.00 -0.26 2.31 -0.65 -3.72 0.00 0.00 177.10 174.78 1krb h PRO 102 N 8.25 0.00 -0.42 0.43 0.11 -1.92 0.04 132.00 138.49 1krb h PRO 102 Ca -0.28 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 1krb h PRO 102 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1krb h PRO 102 CO 0.61 0.01 0.09 -0.44 -0.21 0.00 0.00 178.00 178.05 1krb h ASP 103 N 0.00 0.58 0.00 -2.05 3.32 -1.93 -3.35 116.42 112.99 1krb h ASP 103 Ca -0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1krb h ASP 103 Cb 0.06 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1krb h ASP 103 CO 0.00 0.60 0.00 2.30 -1.72 0.00 0.00 179.24 180.42 1krb n ILE 104 N -4.31 0.00 -4.39 0.35 -5.35 -0.99 -5.08 119.36 99.60 1krb n ILE 104 Ca 0.03 -0.25 -0.29 0.00 -0.27 0.00 0.00 62.75 61.97 1krb n ILE 104 Cb 0.21 1.27 -0.12 0.00 -1.74 0.00 0.00 39.64 39.26 1krb n ILE 104 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1krb s GLN 105 N -0.23 1.71 0.47 6.28 -0.21 -0.03 -5.07 119.66 122.57 1krb s GLN 105 Ca 0.00 -1.20 -0.09 0.00 0.02 0.00 0.00 55.36 54.08 1krb s GLN 105 Cb 0.00 -2.06 -0.05 0.00 1.00 0.00 0.00 33.01 31.90 1krb s GLN 105 CO 0.00 0.48 0.83 -1.25 -2.12 0.00 0.00 175.29 173.22 1krb s PRO 106 N -2.02 3.69 -1.20 2.91 0.04 -1.26 -4.41 135.00 132.76 1krb s PRO 106 Ca 0.16 0.46 -0.09 0.00 0.04 0.00 0.00 61.00 61.56 1krb s PRO 106 Cb -0.10 -2.33 0.08 0.00 0.04 0.00 0.00 34.50 32.19 1krb s PRO 106 CO 0.08 -0.18 0.42 0.09 0.04 0.00 0.00 177.00 177.46 1krb n ASN 107 N -1.82 -3.20 -4.65 6.66 4.13 -1.26 -4.91 115.26 110.21 1krb n ASN 107 Ca 0.03 -0.36 -0.43 0.00 1.68 0.00 0.00 54.58 55.50 1krb n ASN 107 Cb 0.54 -2.68 -0.02 0.00 -1.54 0.00 0.00 39.78 36.08 1krb n ASN 107 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1krb s VAL 108 N -2.85 4.64 -0.18 2.41 1.01 -1.26 -4.45 120.40 119.71 1krb s VAL 108 Ca 0.38 1.88 0.11 0.00 0.00 0.00 0.00 61.98 64.36 1krb s VAL 108 Cb -0.21 -4.33 -0.15 0.00 0.00 0.00 0.00 36.38 31.69 1krb s VAL 108 CO 0.47 -0.27 0.32 0.35 0.00 0.00 0.00 175.10 175.97 1krb n THR 109 N 5.50 0.00 -3.91 3.92 -2.24 0.13 -4.82 114.28 112.86 1krb n THR 109 Ca 0.11 -0.25 -0.30 0.00 -2.27 0.00 0.00 64.05 61.34 1krb n THR 109 Cb 0.46 0.50 -0.14 0.00 -2.10 0.00 0.00 70.33 69.06 1krb n THR 109 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1krb s ILE 110 N -2.51 2.26 0.11 2.28 1.01 -0.61 -4.91 121.20 118.83 1krb s ILE 110 Ca -0.01 -2.93 -0.31 0.00 0.00 0.00 0.00 60.65 57.39 1krb s ILE 110 Cb 0.07 -2.59 -0.08 0.00 0.01 0.00 0.00 42.46 39.87 1krb s ILE 110 CO 0.46 -0.77 1.43 -2.16 0.00 0.00 0.00 174.94 173.89 1krb s PRO 111 N 0.12 4.30 -0.24 2.79 0.04 -1.26 -1.34 135.00 139.40 1krb s PRO 111 Ca 0.16 2.13 -0.07 0.00 0.04 0.00 0.00 61.00 63.25 1krb s PRO 111 Cb -0.24 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.01 1krb s PRO 111 CO -0.02 -0.48 0.07 0.42 0.04 0.00 0.00 177.00 177.03 1krb s ILE 112 N 1.24 4.40 0.00 0.56 1.01 -0.77 -2.06 121.20 125.58 1krb s ILE 112 Ca 0.66 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.16 1krb s ILE 112 Cb -0.38 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.04 1krb s ILE 112 CO 0.30 0.35 0.00 0.61 0.00 0.00 0.00 174.94 176.20 1krb n GLY 113 N 4.79 5.18 0.31 6.18 0.00 -1.26 -0.32 105.19 120.06 1krb n GLY 113 Ca -0.16 -1.97 0.05 0.00 0.00 0.00 0.00 46.02 43.94 1krb n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krb h ALA 114 N 1.00 1.74 -0.08 4.61 0.00 -1.79 -2.00 119.26 122.74 1krb h ALA 114 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1krb h ALA 114 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1krb h ALA 114 CO 0.00 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1krb n ALA 115 N -2.48 2.50 -2.64 0.00 0.00 -1.26 -4.85 120.51 111.78 1krb n ALA 115 Ca 0.03 -0.15 -0.37 0.00 0.00 0.00 0.00 53.44 52.95 1krb n ALA 115 Cb 0.08 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.41 1krb n ALA 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1krb s THR 116 N -1.90 5.33 0.33 0.00 2.01 -0.75 -4.48 115.64 116.18 1krb s THR 116 Ca 0.08 0.23 -0.08 0.00 0.31 0.00 0.00 61.69 62.22 1krb s THR 116 Cb 0.04 -3.53 -0.06 0.00 0.01 0.00 0.00 72.50 68.96 1krb s THR 116 CO 0.06 0.30 0.65 -0.70 -0.69 0.00 0.00 174.62 174.25 1krb s GLU 117 N 1.31 3.74 -0.05 4.92 2.56 0.14 -4.88 118.70 126.44 1krb s GLU 117 Ca 0.08 0.28 0.04 0.00 0.00 0.00 0.00 54.97 55.37 1krb s GLU 117 Cb -0.14 -2.53 -0.00 0.00 2.00 0.00 0.00 34.13 33.46 1krb s GLU 117 CO 0.07 0.12 -0.16 0.08 -0.56 0.00 0.00 175.26 174.81 1krb s VAL 118 N -2.16 1.39 -0.14 3.70 1.01 -1.26 -1.49 120.40 121.44 1krb s VAL 118 Ca 0.48 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1krb s VAL 118 Cb -0.11 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.08 1krb s VAL 118 CO 0.28 0.40 -0.19 -0.63 0.00 0.00 0.00 175.10 174.97 1krb s ILE 119 N 0.17 1.84 -0.46 2.22 1.01 -0.42 -4.97 121.20 120.60 1krb s ILE 119 Ca -0.06 -0.83 -0.24 0.00 0.00 0.00 0.00 60.65 59.51 1krb s ILE 119 Cb -0.12 -1.66 0.03 0.00 0.01 0.00 0.00 42.46 40.72 1krb s ILE 119 CO 0.03 0.51 0.83 0.00 0.00 0.00 0.00 174.94 176.30 1krb s ALA 120 N 1.03 3.27 -2.26 9.38 0.00 -1.26 -1.60 121.76 130.33 1krb s ALA 120 Ca -0.03 -0.96 0.20 0.00 0.00 0.00 0.00 51.96 51.16 1krb s ALA 120 Cb -0.15 -3.53 0.29 0.00 0.00 0.00 0.00 23.12 19.73 1krb s ALA 120 CO -0.05 -1.98 1.25 0.00 0.00 0.00 0.00 175.76 174.97 1krb n ALA 121 N 6.87 2.42 -1.67 0.00 0.00 -0.25 -4.91 120.51 122.96 1krb n ALA 121 Ca 0.03 -0.85 -0.47 0.00 0.00 0.00 0.00 53.44 52.15 1krb n ALA 121 Cb 0.48 -0.72 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 1krb n ALA 121 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1krb n GLU 122 N 1.21 2.16 -0.75 0.00 0.00 -0.89 -0.12 120.64 122.25 1krb n GLU 122 Ca 0.15 0.79 0.00 0.00 0.00 0.00 0.00 57.16 58.10 1krb n GLU 122 Cb 0.53 -2.60 0.00 0.00 0.00 0.00 0.00 31.44 29.37 1krb n GLU 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1krb n GLY 123 N 3.94 0.70 3.54 -1.84 0.00 -1.26 -4.79 105.19 105.49 1krb n GLY 123 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1krb n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1krb s LYS 124 N -0.25 1.94 -0.15 1.61 -0.14 0.82 -4.36 119.74 119.21 1krb s LYS 124 Ca 0.00 -1.62 -0.03 0.00 -1.36 0.00 0.00 55.97 52.96 1krb s LYS 124 Cb 0.00 -1.93 -0.03 0.00 -1.68 0.00 0.00 37.83 34.19 1krb s LYS 124 CO 0.00 0.34 -0.05 0.42 -0.76 0.00 0.00 175.35 175.30 1krb s ILE 125 N -2.43 3.79 -0.13 2.17 1.01 0.54 -2.33 121.20 123.83 1krb s ILE 125 Ca 0.31 -0.40 -0.00 0.00 0.00 0.00 0.00 60.65 60.56 1krb s ILE 125 Cb -0.06 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 1krb s ILE 125 CO 0.17 0.50 -0.13 -0.69 0.00 0.00 0.00 174.94 174.79 1krb s VAL 126 N 0.30 3.07 0.27 2.92 1.01 -0.01 -0.46 120.40 127.50 1krb s VAL 126 Ca -0.04 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1krb s VAL 126 Cb -0.14 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1krb s VAL 126 CO 0.03 0.53 0.07 0.42 0.00 0.00 0.00 175.10 176.15 1krb s THR 127 N 0.29 0.78 0.83 3.92 -4.23 -0.74 -1.80 115.64 114.69 1krb s THR 127 Ca -0.10 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.29 1krb s THR 127 Cb -0.16 -2.61 0.09 0.00 1.34 0.00 0.00 72.50 71.16 1krb s THR 127 CO 0.05 -0.07 1.15 0.00 -0.54 0.00 0.00 174.62 175.22 1krb s ALA 128 N -3.60 2.37 0.20 3.99 0.00 -1.26 -1.16 121.76 122.29 1krb s ALA 128 Ca 0.36 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.47 1krb s ALA 128 Cb 0.08 -3.00 -0.08 0.00 0.00 0.00 0.00 23.12 20.12 1krb s ALA 128 CO 0.13 -1.82 0.99 0.20 0.00 0.00 0.00 175.76 175.26 1krb s GLY 129 N -4.33 3.04 0.85 0.00 0.00 -0.27 -4.51 107.32 102.11 1krb s GLY 129 Ca 0.62 0.67 -0.11 0.00 0.00 0.00 0.00 44.72 45.90 1krb s GLY 129 CO 0.51 1.37 1.14 -0.32 0.00 0.00 0.00 173.10 175.80 1krb s GLY 130 N -0.65 1.79 -0.21 0.20 0.00 0.30 -4.55 107.32 104.19 1krb s GLY 130 Ca 0.44 0.56 -0.02 0.00 0.00 0.00 0.00 44.72 45.70 1krb s GLY 130 CO 0.33 0.96 0.03 -0.42 0.00 0.00 0.00 173.10 174.00 1krb s ILE 131 N -2.61 0.67 -0.34 0.90 1.01 0.45 -1.12 121.20 120.17 1krb s ILE 131 Ca 0.67 -0.72 -0.14 0.00 0.00 0.00 0.00 60.65 60.46 1krb s ILE 131 Cb -0.22 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 1krb s ILE 131 CO 0.55 -0.25 0.29 -0.62 0.00 0.00 0.00 174.94 174.92 1krb s ASP 132 N 1.78 6.11 -0.18 3.58 -1.08 -0.84 -4.73 116.67 121.31 1krb s ASP 132 Ca -0.01 -0.30 0.15 0.00 -0.52 0.00 0.00 52.55 51.88 1krb s ASP 132 Cb -0.17 -2.16 0.77 0.00 -1.46 0.00 0.00 42.92 39.89 1krb s ASP 132 CO -0.10 -0.26 1.68 0.35 0.52 0.00 0.00 175.17 177.36 1krb n THR 133 N 5.16 2.33 -3.04 1.71 -2.24 -1.26 -0.85 114.28 116.09 1krb n THR 133 Ca -0.11 -1.28 -0.19 0.00 -2.27 0.00 0.00 64.05 60.20 1krb n THR 133 Cb 0.50 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.58 1krb n THR 133 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1krb n HIS 134 N 0.82 1.14 -3.60 4.78 -0.00 -1.16 -4.67 115.22 112.54 1krb n HIS 134 Ca 0.26 -3.68 -0.37 0.00 -0.00 0.00 0.00 57.72 53.94 1krb n HIS 134 Cb 1.06 -0.41 -0.07 0.00 -0.00 0.00 0.00 29.99 30.57 1krb n HIS 134 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1krb s ILE 135 N -3.02 5.30 -0.33 3.57 -1.09 -0.24 -1.97 121.20 123.43 1krb s ILE 135 Ca 0.40 0.51 -0.10 0.00 -2.23 0.00 0.00 60.65 59.23 1krb s ILE 135 Cb 0.35 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 1krb s ILE 135 CO -0.08 0.46 0.17 -1.00 -1.23 0.00 0.00 174.94 173.27 1krb s HIS 136 N -0.05 3.20 -1.26 3.97 3.76 -1.26 -1.90 115.29 121.74 1krb s HIS 136 Ca 0.17 -0.69 -0.18 0.00 -0.15 0.00 0.00 55.06 54.21 1krb s HIS 136 Cb -0.13 -2.38 0.00 0.00 1.11 0.00 0.00 32.58 31.18 1krb s HIS 136 CO 0.05 -0.51 1.99 0.91 -0.85 0.00 0.00 174.74 176.32 1krb n TRP 137 N 4.99 3.52 0.04 1.40 7.02 -0.54 -4.57 117.44 129.30 1krb n TRP 137 Ca -0.13 -2.56 -0.10 0.00 -1.02 0.00 0.00 57.50 53.69 1krb n TRP 137 Cb 0.48 -2.45 -0.13 0.00 -2.42 0.00 0.00 31.31 26.79 1krb n TRP 137 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1krb h ILE 138 N 4.83 1.32 -2.26 -0.99 2.04 -1.88 -0.97 117.51 119.60 1krb h ILE 138 Ca 0.47 -3.05 -0.07 0.00 1.00 0.00 0.00 64.86 63.21 1krb h ILE 138 Cb 0.75 2.71 -0.20 0.00 -0.74 0.00 0.00 36.82 39.35 1krb h ILE 138 CO 1.69 0.80 0.07 0.00 0.00 0.00 0.00 178.15 180.70 1krb h PRO 140 N 3.42 0.00 -0.00 0.00 0.13 -1.98 -3.02 132.00 130.55 1krb h PRO 140 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1krb h PRO 140 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1krb h PRO 140 CO 0.36 0.15 0.10 1.96 -0.23 0.00 0.00 178.00 180.35 1krb h GLN 141 N 0.00 0.00 -0.17 0.86 7.50 -2.03 -2.17 115.11 119.11 1krb h GLN 141 Ca -0.00 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.13 1krb h GLN 141 Cb 0.46 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.98 1krb h GLN 141 CO 0.02 0.00 -0.00 1.96 -1.50 0.00 0.00 178.83 179.31 1krb h GLN 142 N 0.00 0.23 -0.54 1.46 4.20 -1.95 -3.01 115.11 115.50 1krb h GLN 142 Ca 0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1krb h GLN 142 Cb 0.21 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1krb h GLN 142 CO -0.00 0.26 0.30 0.00 -0.67 0.00 0.00 178.83 178.72 1krb h ALA 143 N 1.77 0.69 -0.28 3.87 0.00 -1.64 -0.70 119.26 122.97 1krb h ALA 143 Ca 0.06 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1krb h ALA 143 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1krb h ALA 143 CO 0.00 0.21 -0.43 1.49 0.00 0.00 0.00 179.25 180.52 1krb h GLU 144 N 0.72 0.71 -0.31 0.00 4.81 -1.73 0.54 114.58 119.32 1krb h GLU 144 Ca 0.19 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1krb h GLU 144 Cb 0.04 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1krb h GLU 144 CO -0.03 1.00 0.15 1.49 -0.73 0.00 0.00 179.01 180.89 1krb h GLU 145 N 0.57 0.44 -0.23 1.92 4.57 -1.40 -0.49 114.58 119.96 1krb h GLU 145 Ca 0.04 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 1krb h GLU 145 Cb 0.98 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.48 1krb h GLU 145 CO 0.09 0.40 0.03 0.00 -1.18 0.00 0.00 179.01 178.36 1krb h ALA 146 N 1.01 0.30 -0.74 2.92 0.00 -0.99 -2.93 119.26 118.83 1krb h ALA 146 Ca 0.11 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1krb h ALA 146 Cb 0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1krb h ALA 146 CO -0.01 -0.01 0.49 1.25 0.00 0.00 0.00 179.25 180.96 1krb h LEU 147 N 0.18 0.83 -1.73 0.00 5.85 -0.76 -1.71 115.31 117.97 1krb h LEU 147 Ca 0.07 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1krb h LEU 147 Cb 0.33 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1krb h LEU 147 CO 0.01 0.59 0.01 0.58 -0.34 0.00 0.00 178.44 179.29 1krb h VAL 148 N 0.98 1.08 0.00 1.05 2.07 -1.02 -2.05 116.25 118.36 1krb h VAL 148 Ca 0.28 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1krb h VAL 148 Cb -0.08 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1krb h VAL 148 CO -0.07 0.10 -0.09 -1.54 0.02 0.00 0.00 177.57 175.98 1krb n SER 149 N -4.44 0.36 0.00 0.57 3.41 -0.73 -4.33 113.62 108.47 1krb n SER 149 Ca -0.01 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1krb n SER 149 Cb 0.14 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1krb n SER 149 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1krb n GLY 150 N 1.43 1.16 3.57 5.00 0.00 -0.77 -4.86 105.19 110.71 1krb n GLY 150 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1krb n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1krb s VAL 151 N -2.00 5.17 -0.90 1.61 1.01 -0.72 -0.54 120.40 124.03 1krb s VAL 151 Ca 0.00 0.24 0.22 0.00 0.00 0.00 0.00 61.98 62.43 1krb s VAL 151 Cb 0.00 -3.77 -0.19 0.00 0.00 0.00 0.00 36.38 32.42 1krb s VAL 151 CO 0.00 0.00 0.96 0.35 0.00 0.00 0.00 175.10 176.41 1krb n THR 152 N 5.20 0.01 -4.71 3.92 -2.24 -0.27 -3.43 114.28 112.76 1krb n THR 152 Ca -0.09 -0.06 -0.25 0.00 -2.27 0.00 0.00 64.05 61.39 1krb n THR 152 Cb 0.50 0.74 -0.16 0.00 -2.10 0.00 0.00 70.33 69.31 1krb n THR 152 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1krb s THR 153 N -3.05 1.26 -0.10 4.28 2.01 -1.01 -1.42 115.64 117.60 1krb s THR 153 Ca 0.07 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1krb s THR 153 Cb 0.16 -1.09 0.02 0.00 0.01 0.00 0.00 72.50 71.60 1krb s THR 153 CO 0.84 0.37 -0.08 -0.04 -0.69 0.00 0.00 174.62 175.02 1krb s MET 154 N 0.09 1.44 -0.06 4.92 -1.94 0.80 -1.98 119.30 122.57 1krb s MET 154 Ca -0.04 -0.24 0.06 0.00 -1.71 0.00 0.00 55.69 53.76 1krb s MET 154 Cb -0.11 -1.46 -0.01 0.00 2.01 0.00 0.00 34.83 35.25 1krb s MET 154 CO 0.02 -0.21 -0.23 0.08 -0.01 0.00 0.00 175.02 174.67 1krb s VAL 155 N 1.51 2.24 -3.75 -6.03 1.01 -0.03 -2.56 120.40 112.79 1krb s VAL 155 Ca 0.01 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1krb s VAL 155 Cb -0.13 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.43 1krb s VAL 155 CO -0.05 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1krb n GLY 156 N 2.84 -0.58 3.59 4.51 0.00 -0.90 -1.08 105.19 113.58 1krb n GLY 156 Ca -0.17 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 1krb n GLY 156 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1krb s GLY 157 N 0.00 0.27 0.00 -0.02 0.00 -0.80 -0.75 107.32 106.03 1krb s GLY 157 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1krb s GLY 157 CO 0.00 -0.47 0.00 0.61 0.00 0.00 0.00 173.10 173.24 1krb n GLY 158 N -0.37 2.83 0.00 0.20 0.00 -1.17 -1.47 105.19 105.22 1krb n GLY 158 Ca -0.05 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1krb n GLY 158 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1krb n THR 159 N -1.47 0.38 0.00 2.61 -2.24 -1.24 -4.60 114.28 107.71 1krb n THR 159 Ca 0.00 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1krb n THR 159 Cb 0.00 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1krb n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1krb n GLY 160 N -0.19 0.61 2.76 3.38 0.00 -0.37 -4.91 105.19 106.47 1krb n GLY 160 Ca 0.00 -2.17 -0.39 0.00 0.00 0.00 0.00 46.02 43.45 1krb n GLY 160 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1krb n PRO 161 N 0.00 2.47 -4.37 1.61 -0.04 -0.84 -4.39 135.00 129.43 1krb n PRO 161 Ca 0.00 -2.16 -0.28 0.00 -0.04 0.00 0.00 63.50 61.02 1krb n PRO 161 Cb 0.00 -2.99 -0.12 0.00 -0.04 0.00 0.00 33.50 30.35 1krb n PRO 161 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1krb s ALA 162 N 3.62 2.53 0.28 0.55 0.00 -1.26 -5.00 121.76 122.48 1krb s ALA 162 Ca 0.53 -1.50 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 1krb s ALA 162 Cb 0.14 -0.45 0.60 0.00 0.00 0.00 0.00 23.12 23.42 1krb s ALA 162 CO -0.01 0.51 1.60 0.00 0.00 0.00 0.00 175.76 177.86 1krb h ALA 163 N 3.58 0.98 -0.42 0.00 0.00 -1.99 -0.73 119.26 120.67 1krb h ALA 163 Ca -0.49 0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1krb h ALA 163 Cb 1.18 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 1krb h ALA 163 CO 0.44 -0.49 0.22 0.78 0.00 0.00 0.00 179.25 180.21 1krb h GLY 164 N 0.06 0.58 1.99 0.00 0.00 -1.95 -2.54 103.07 101.22 1krb h GLY 164 Ca 0.51 -0.16 -0.13 0.00 0.00 0.00 0.00 47.33 47.55 1krb h GLY 164 CO -0.82 0.12 -0.62 -0.84 0.00 0.00 0.00 176.54 174.38 1krb h THR 165 N 0.45 1.44 -0.99 4.70 2.02 -1.43 0.31 112.91 119.41 1krb h THR 165 Ca 0.18 -2.12 0.02 0.00 0.77 0.00 0.00 66.41 65.26 1krb h THR 165 Cb 0.06 2.14 -0.05 0.00 -1.74 0.00 0.00 68.15 68.56 1krb h THR 165 CO -0.11 0.60 0.66 0.45 0.37 0.00 0.00 175.52 177.49 1krb h HIS 166 N 0.00 1.24 0.00 3.16 3.86 -0.77 -3.23 115.15 119.41 1krb h HIS 166 Ca -0.01 0.03 -0.32 0.00 -1.16 0.00 0.00 60.37 58.91 1krb h HIS 166 Cb 1.09 -0.42 -0.06 0.00 1.06 0.00 0.00 27.41 29.09 1krb h HIS 166 CO 0.00 0.76 -1.98 0.00 0.86 0.00 0.00 177.93 177.56 1krb n ALA 167 N -2.38 1.50 -2.48 2.45 0.00 -1.03 -4.61 120.51 113.95 1krb n ALA 167 Ca 0.12 -1.00 -0.10 0.00 0.00 0.00 0.00 53.44 52.47 1krb n ALA 167 Cb 0.04 -0.58 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 1krb n ALA 167 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1krb s THR 168 N -2.55 0.43 -1.31 0.00 -4.23 0.09 -4.96 115.64 103.10 1krb s THR 168 Ca -0.07 -1.49 -0.08 0.00 -1.18 0.00 0.00 61.69 58.87 1krb s THR 168 Cb 0.07 -1.10 0.14 0.00 1.34 0.00 0.00 72.50 72.96 1krb s THR 168 CO 0.83 -0.71 2.09 0.35 -0.54 0.00 0.00 174.62 176.64 1krb n THR 169 N 0.69 4.66 -4.33 3.99 -2.24 -1.26 -4.12 114.28 111.66 1krb n THR 169 Ca -0.18 -4.31 -0.23 0.00 -2.27 0.00 0.00 64.05 57.07 1krb n THR 169 Cb 0.58 -2.27 -0.17 0.00 -2.10 0.00 0.00 70.33 66.38 1krb n THR 169 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1krb s THR 171 N 0.88 4.59 -0.24 0.00 2.01 -0.50 -3.02 115.64 119.36 1krb s THR 171 Ca -0.11 -2.05 -0.29 0.00 0.31 0.00 0.00 61.69 59.55 1krb s THR 171 Cb -0.15 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 1krb s THR 171 CO 0.01 -0.86 1.62 -2.84 -0.69 0.00 0.00 174.62 171.87 1krb s PRO 172 N 0.95 3.75 0.17 4.92 0.02 -1.26 -3.82 135.00 139.73 1krb s PRO 172 Ca 0.09 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.73 1krb s PRO 172 Cb -0.23 -4.05 0.00 0.00 0.02 0.00 0.00 34.50 30.24 1krb s PRO 172 CO -0.02 -1.35 0.00 0.41 -0.33 0.00 0.00 177.00 175.71 1krb n GLY 173 N 4.74 -2.60 0.28 0.52 0.00 -1.26 -4.11 105.19 102.76 1krb n GLY 173 Ca 0.19 -1.35 0.07 0.00 0.00 0.00 0.00 46.02 44.93 1krb n GLY 173 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1krb h PRO 174 N -0.42 0.22 -0.14 1.61 0.11 -1.91 0.12 132.00 131.59 1krb h PRO 174 Ca -0.05 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 1krb h PRO 174 Cb 0.41 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 1krb h PRO 174 CO 0.02 0.15 -0.02 2.35 -0.21 0.00 0.00 178.00 180.28 1krb h TRP 175 N 0.23 0.30 -0.12 0.65 7.01 -1.99 0.47 115.95 122.48 1krb h TRP 175 Ca 0.45 -0.06 -0.18 0.00 2.11 0.00 0.00 58.89 61.21 1krb h TRP 175 Cb 0.81 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.79 1krb h TRP 175 CO -0.29 0.53 -0.66 1.88 -2.79 0.00 0.00 178.44 177.11 1krb h TYR 176 N -0.02 0.65 -0.25 2.65 0.05 -1.63 -1.10 116.97 117.31 1krb h TYR 176 Ca 0.04 -0.26 -0.00 0.00 0.05 0.00 0.00 58.73 58.55 1krb h TYR 176 Cb 0.43 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 1krb h TYR 176 CO 0.05 1.01 0.15 0.82 -1.05 0.00 0.00 178.16 179.14 1krb h ILE 177 N 0.35 1.10 -0.70 -2.88 2.04 -0.72 0.59 117.51 117.30 1krb h ILE 177 Ca -0.02 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.60 1krb h ILE 177 Cb 1.23 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 1krb h ILE 177 CO 0.12 0.10 0.46 0.28 0.00 0.00 0.00 178.15 179.11 1krb h SER 178 N 0.31 0.79 -0.32 1.72 0.02 -0.77 -0.40 113.55 114.90 1krb h SER 178 Ca 0.09 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1krb h SER 178 Cb 0.03 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1krb h SER 178 CO -0.02 0.57 0.12 0.03 -1.14 0.00 0.00 176.83 176.39 1krb h ARG 179 N 0.93 0.49 0.00 3.45 -0.00 -0.71 -2.55 114.38 115.99 1krb h ARG 179 Ca 0.26 -0.10 -0.07 0.00 -0.50 0.00 0.00 59.98 59.57 1krb h ARG 179 Cb -0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 29.97 29.80 1krb h ARG 179 CO -0.07 0.51 -0.35 0.52 0.00 0.00 0.00 179.97 180.59 1krb h MET 180 N 0.37 0.00 -0.15 0.04 2.86 -0.50 -1.48 114.93 116.07 1krb h MET 180 Ca 0.11 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.61 1krb h MET 180 Cb 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1krb h MET 180 CO -0.01 0.35 -0.49 -0.07 1.06 0.00 0.00 176.91 177.75 1krb h LEU 181 N 0.00 0.43 -0.07 1.22 3.38 -0.84 -1.58 115.31 117.85 1krb h LEU 181 Ca -0.00 -0.21 -0.23 0.00 0.09 0.00 0.00 57.88 57.53 1krb h LEU 181 Cb 0.69 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.33 1krb h LEU 181 CO 0.04 0.85 -0.84 1.56 0.09 0.00 0.00 178.44 180.15 1krb h GLN 182 N 0.32 0.69 -0.13 1.13 4.20 -1.10 -3.15 115.11 117.06 1krb h GLN 182 Ca 0.02 -0.65 -0.04 0.00 0.06 0.00 0.00 58.65 58.03 1krb h GLN 182 Cb 0.97 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 1krb h GLN 182 CO 0.08 1.25 -0.12 0.00 -0.67 0.00 0.00 178.83 179.38 1krb h ALA 183 N 0.45 1.56 0.00 3.87 0.00 -1.22 -2.86 119.26 121.06 1krb h ALA 183 Ca -0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1krb h ALA 183 Cb 1.49 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1krb h ALA 183 CO 0.17 0.32 -0.02 0.00 0.00 0.00 0.00 179.25 179.72 1krb h ALA 184 N 1.69 1.36 0.00 0.00 0.00 -1.24 -2.02 119.26 119.05 1krb h ALA 184 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1krb h ALA 184 Cb 0.33 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1krb h ALA 184 CO 0.02 0.02 -0.13 -0.44 0.00 0.00 0.00 179.25 178.71 1krb h ASP 185 N 0.00 0.00 1.01 0.00 3.32 -1.62 -2.44 116.42 116.69 1krb h ASP 185 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1krb h ASP 185 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1krb h ASP 185 CO 0.00 0.13 -0.10 -1.20 -1.72 0.00 0.00 179.24 176.35 1krb n SER 186 N -3.85 0.27 -4.82 6.45 7.64 -0.76 -4.70 113.62 113.85 1krb n SER 186 Ca -0.02 0.39 -0.37 0.00 1.01 0.00 0.00 58.87 59.88 1krb n SER 186 Cb 0.23 -0.42 -0.07 0.00 -1.01 0.00 0.00 64.21 62.95 1krb n SER 186 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1krb s LEU 187 N -3.36 4.35 0.00 -3.43 1.43 -0.92 -5.01 118.68 111.74 1krb s LEU 187 Ca 0.13 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1krb s LEU 187 Cb 0.17 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1krb s LEU 187 CO 0.58 0.30 1.10 -0.81 0.23 0.00 0.00 176.35 177.75 1krb n PRO 188 N 2.49 0.90 -4.04 1.29 -0.04 -1.26 -4.83 135.00 129.50 1krb n PRO 188 Ca -0.17 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.20 1krb n PRO 188 Cb 0.53 -1.05 -0.11 0.00 -0.04 0.00 0.00 33.50 32.84 1krb n PRO 188 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1krb s VAL 189 N 0.13 0.23 0.28 0.52 -7.23 -1.26 -5.03 120.40 108.03 1krb s VAL 189 Ca 0.00 -1.32 -0.29 0.00 -1.81 0.00 0.00 61.98 58.55 1krb s VAL 189 Cb 0.00 -0.85 -0.10 0.00 0.56 0.00 0.00 36.38 35.99 1krb s VAL 189 CO 0.00 -0.70 1.29 0.20 -0.31 0.00 0.00 175.10 175.59 1krb s ASN 190 N -2.11 6.86 0.06 4.85 0.01 -0.51 -4.69 114.94 119.42 1krb s ASN 190 Ca -0.05 2.55 0.04 0.00 -0.71 0.00 0.00 52.86 54.69 1krb s ASN 190 Cb -0.02 -2.63 -0.03 0.00 0.41 0.00 0.00 41.25 38.98 1krb s ASN 190 CO -0.04 -0.50 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.29 1krb s ILE 191 N -0.66 0.99 -0.09 0.60 1.01 -0.84 -0.14 121.20 122.07 1krb s ILE 191 Ca 0.52 -1.21 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 1krb s ILE 191 Cb -0.38 -0.96 0.04 0.00 0.01 0.00 0.00 42.46 41.16 1krb s ILE 191 CO 0.46 -0.22 0.23 -0.83 0.00 0.00 0.00 174.94 174.58 1krb s GLY 192 N -1.61 -0.15 0.05 6.18 0.00 -1.06 -1.18 107.32 109.55 1krb s GLY 192 Ca -0.03 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.52 1krb s GLY 192 CO 0.02 0.94 0.17 1.08 0.00 0.00 0.00 173.10 175.31 1krb s LEU 193 N 0.76 4.23 -0.09 0.66 1.43 -1.26 -2.12 118.68 122.30 1krb s LEU 193 Ca -0.05 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1krb s LEU 193 Cb -0.07 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 1krb s LEU 193 CO -0.05 0.19 -0.08 -0.76 0.23 0.00 0.00 176.35 175.89 1krb s LEU 194 N -2.34 3.10 0.58 1.79 1.43 0.07 -0.27 118.68 123.04 1krb s LEU 194 Ca 0.32 -0.08 0.09 0.00 -1.03 0.00 0.00 54.13 53.43 1krb s LEU 194 Cb -0.13 -1.69 0.09 0.00 0.03 0.00 0.00 46.19 44.49 1krb s LEU 194 CO 0.24 0.31 0.80 -0.83 0.23 0.00 0.00 176.35 177.10 1krb s GLY 195 N -0.50 1.74 -0.46 -3.19 0.00 -0.66 -1.41 107.32 102.84 1krb s GLY 195 Ca 0.07 -2.12 -0.25 0.00 0.00 0.00 0.00 44.72 42.42 1krb s GLY 195 CO 0.02 -1.66 0.92 1.25 0.00 0.00 0.00 173.10 173.63 1krb s LYS 196 N -4.68 3.53 0.00 2.90 2.20 -1.25 -4.57 119.74 117.87 1krb s LYS 196 Ca 0.62 0.15 0.28 0.00 -0.36 0.00 0.00 55.97 56.66 1krb s LYS 196 Cb -0.06 -3.93 1.07 0.00 -1.51 0.00 0.00 37.83 33.40 1krb s LYS 196 CO 0.39 -1.21 1.75 0.41 -0.36 0.00 0.00 175.35 176.33 1krb n GLY 197 N 4.93 -0.18 3.57 5.54 0.00 -1.26 -4.78 105.19 113.00 1krb n GLY 197 Ca 0.06 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 1krb n GLY 197 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1krb s ASN 198 N -2.09 6.24 -0.10 1.61 -0.87 -1.26 -4.54 114.94 113.93 1krb s ASN 198 Ca 0.36 -1.73 -0.29 0.00 -1.57 0.00 0.00 52.86 49.63 1krb s ASN 198 Cb 0.21 -2.57 0.07 0.00 -0.02 0.00 0.00 41.25 38.93 1krb s ASN 198 CO 0.37 -1.76 0.69 -0.69 -2.57 0.00 0.00 177.10 173.13 1krb s VAL 199 N 6.20 0.00 -1.27 1.60 1.01 -1.26 -5.02 120.40 121.67 1krb s VAL 199 Ca 0.55 -0.00 0.19 0.00 0.00 0.00 0.00 61.98 62.72 1krb s VAL 199 Cb 0.00 -1.00 0.71 0.00 0.00 0.00 0.00 36.38 36.09 1krb s VAL 199 CO 0.01 -0.00 1.61 -1.20 0.00 0.00 0.00 175.10 175.52 1krb n SER 200 N 1.36 4.62 -4.09 3.32 7.64 -1.26 -4.58 113.62 120.62 1krb n SER 200 Ca -0.18 -2.37 -0.32 0.00 1.01 0.00 0.00 58.87 57.01 1krb n SER 200 Cb 0.56 -0.56 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 1krb n SER 200 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1krb s GLN 201 N -1.70 2.41 0.35 1.43 2.00 -1.26 -5.00 119.66 117.89 1krb s GLN 201 Ca 0.51 -1.24 0.08 0.00 -2.00 0.00 0.00 55.36 52.71 1krb s GLN 201 Cb 0.32 -2.85 0.79 0.00 0.80 0.00 0.00 33.01 32.06 1krb s GLN 201 CO 0.26 -0.50 1.86 -1.35 -0.50 0.00 0.00 175.29 175.06 1krb h PRO 202 N 7.82 0.70 -0.18 1.67 0.11 -1.90 -2.08 132.00 138.13 1krb h PRO 202 Ca -0.25 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 1krb h PRO 202 Cb 1.06 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1krb h PRO 202 CO 0.50 0.46 -0.02 -0.44 -0.21 0.00 0.00 178.00 178.29 1krb h ASP 203 N 0.72 0.24 0.57 -2.05 3.32 -1.99 -0.65 116.42 116.58 1krb h ASP 203 Ca 0.46 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.44 1krb h ASP 203 Cb 0.70 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 1krb h ASP 203 CO -0.22 0.31 -0.14 0.00 -1.72 0.00 0.00 179.24 177.47 1krb h ALA 204 N 1.73 1.17 0.07 3.45 0.00 -1.81 -2.28 119.26 121.58 1krb h ALA 204 Ca 0.06 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 1krb h ALA 204 Cb 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1krb h ALA 204 CO 0.01 0.18 -1.19 -0.07 0.00 0.00 0.00 179.25 178.17 1krb h LEU 205 N 0.00 0.23 -1.01 0.00 3.38 -1.34 -3.33 115.31 113.24 1krb h LEU 205 Ca -0.00 -0.79 0.10 0.00 0.09 0.00 0.00 57.88 57.28 1krb h LEU 205 Cb 0.47 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1krb h LEU 205 CO 0.02 1.51 0.64 0.03 0.09 0.00 0.00 178.44 180.72 1krb h ARG 206 N -0.56 1.02 -0.37 1.13 3.08 -1.03 -0.88 114.38 116.77 1krb h ARG 206 Ca -0.28 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.74 1krb h ARG 206 Cb 1.55 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 31.34 1krb h ARG 206 CO -0.02 0.67 0.19 0.93 -1.07 0.00 0.00 179.97 180.68 1krb h GLU 207 N 1.05 0.38 -0.77 0.04 5.08 -1.57 0.97 114.58 119.77 1krb h GLU 207 Ca 0.48 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.80 1krb h GLU 207 Cb 0.40 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1krb h GLU 207 CO -0.24 0.25 0.41 1.96 -1.00 0.00 0.00 179.01 180.39 1krb h GLN 208 N 0.40 1.08 -0.51 2.33 4.20 -1.36 0.12 115.11 121.37 1krb h GLN 208 Ca 0.15 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 1krb h GLN 208 Cb 0.04 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1krb h GLN 208 CO -0.09 0.82 -0.07 0.28 -0.67 0.00 0.00 178.83 179.09 1krb h VAL 209 N 1.07 1.26 0.00 -0.54 2.07 -0.61 -2.06 116.25 117.44 1krb h VAL 209 Ca 0.27 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 1krb h VAL 209 Cb 0.06 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1krb h VAL 209 CO -0.04 0.41 -0.16 0.00 0.02 0.00 0.00 177.57 177.80 1krb h ALA 210 N 1.08 0.98 0.00 1.67 0.00 -0.40 -2.34 119.26 120.25 1krb h ALA 210 Ca 0.14 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1krb h ALA 210 Cb 0.59 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1krb h ALA 210 CO 0.04 0.20 -0.30 0.00 0.00 0.00 0.00 179.25 179.19 1krb h ALA 211 N 1.84 0.93 0.00 0.00 0.00 -0.09 -3.36 119.26 118.59 1krb h ALA 211 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1krb h ALA 211 Cb 0.79 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1krb h ALA 211 CO 0.02 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1krb n GLY 212 N 0.46 0.71 3.76 0.00 0.00 -0.88 -4.73 105.19 104.52 1krb n GLY 212 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1krb n GLY 212 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1krb s VAL 213 N -0.07 2.43 -1.90 1.61 -7.23 -1.18 -3.68 120.40 110.39 1krb s VAL 213 Ca 0.00 0.32 0.22 0.00 -1.81 0.00 0.00 61.98 60.71 1krb s VAL 213 Cb 0.00 -3.16 0.65 0.00 0.56 0.00 0.00 36.38 34.43 1krb s VAL 213 CO 0.00 -0.00 1.55 2.30 -0.31 0.00 0.00 175.10 178.63 1krb n ILE 214 N -0.83 1.06 -3.58 -0.62 -5.35 0.63 -4.21 119.36 106.46 1krb n ILE 214 Ca 0.09 -1.02 0.02 0.00 -0.27 0.00 0.00 62.75 61.58 1krb n ILE 214 Cb 0.46 0.47 -0.00 0.00 -1.74 0.00 0.00 39.64 38.83 1krb n ILE 214 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1krb s GLY 215 N -0.99 -0.44 0.00 3.28 0.00 -1.23 -3.10 107.32 104.84 1krb s GLY 215 Ca 0.49 1.04 0.00 0.00 0.00 0.00 0.00 44.72 46.25 1krb s GLY 215 CO 0.33 0.23 0.00 1.04 0.00 0.00 0.00 173.10 174.70 1krb n LEU 216 N -0.43 0.00 -3.15 0.66 4.77 -0.11 -1.66 117.00 117.08 1krb n LEU 216 Ca -0.08 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.95 1krb n LEU 216 Cb 0.63 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.71 1krb n LEU 216 CO 0.11 0.00 0.33 -0.63 -1.33 0.00 0.00 177.39 175.87 1krb s ILE 218 N 0.63 -0.70 0.02 -0.08 1.09 0.31 -1.24 121.20 121.23 1krb s ILE 218 Ca 0.00 0.00 0.05 0.00 -1.10 0.00 0.00 60.65 59.60 1krb s ILE 218 Cb 0.00 -0.92 -0.03 0.00 -1.06 0.00 0.00 42.46 40.44 1krb s ILE 218 CO 0.00 0.00 -0.12 0.00 -0.10 0.00 0.00 174.94 174.72 1krb s ALA 219 N 2.90 2.82 0.36 9.38 0.00 -1.26 -0.21 121.76 135.75 1krb s ALA 219 Ca 0.13 -1.09 0.27 0.00 0.00 0.00 0.00 51.96 51.27 1krb s ALA 219 Cb -0.11 -0.96 1.37 0.00 0.00 0.00 0.00 23.12 23.41 1krb s ALA 219 CO -0.19 0.59 2.03 1.05 0.00 0.00 0.00 175.76 179.25 1krb h GLU 220 N 4.58 0.00 0.00 0.00 4.11 -1.71 -2.35 114.58 119.21 1krb h GLU 220 Ca -0.48 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.95 1krb h GLU 220 Cb 1.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1krb h GLU 220 CO 0.51 0.14 -0.01 -0.44 0.07 0.00 0.00 179.01 179.28 1krb h ASP 221 N 0.00 0.00 -0.30 3.06 5.19 -1.93 0.20 116.42 122.64 1krb h ASP 221 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1krb h ASP 221 Cb 0.41 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.92 1krb h ASP 221 CO 0.02 0.01 0.00 0.79 -3.12 0.00 0.00 179.24 176.94 1krb n TRP 222 N -3.23 0.40 -0.88 4.55 7.02 -0.89 -5.04 117.44 119.37 1krb n TRP 222 Ca -0.02 -0.37 0.00 0.00 -1.02 0.00 0.00 57.50 56.08 1krb n TRP 222 Cb 0.11 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 28.98 1krb n TRP 222 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1krb n GLY 223 N 0.69 -1.67 2.95 6.99 0.00 0.71 -4.90 105.19 109.95 1krb n GLY 223 Ca 0.12 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 1krb n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krb n ALA 224 N 0.29 5.32 -2.48 4.61 0.00 -1.25 -4.85 120.51 122.15 1krb n ALA 224 Ca 0.00 -4.76 -0.26 0.00 0.00 0.00 0.00 53.44 48.43 1krb n ALA 224 Cb 0.00 -2.37 -0.01 0.00 0.00 0.00 0.00 19.45 17.07 1krb n ALA 224 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1krb s THR 225 N -2.81 5.01 0.31 0.00 -4.23 -1.26 -4.32 115.64 108.35 1krb s THR 225 Ca 0.33 -0.15 0.05 0.00 -1.18 0.00 0.00 61.69 60.74 1krb s THR 225 Cb 0.07 -3.86 0.30 0.00 1.34 0.00 0.00 72.50 70.35 1krb s THR 225 CO 0.08 -0.69 1.81 -0.65 -0.54 0.00 0.00 174.62 174.63 1krb h PRO 226 N 0.52 0.80 -0.51 3.99 0.11 -1.94 -0.54 132.00 134.43 1krb h PRO 226 Ca -0.48 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 1krb h PRO 226 Cb 1.21 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1krb h PRO 226 CO 0.62 0.53 0.14 0.00 -0.21 0.00 0.00 178.00 179.07 1krb h ALA 227 N 1.60 0.67 -0.11 -0.75 0.00 -1.98 -1.01 119.26 117.68 1krb h ALA 227 Ca 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1krb h ALA 227 Cb 0.75 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1krb h ALA 227 CO -0.31 0.35 0.02 0.00 0.00 0.00 0.00 179.25 179.31 1krb h ALA 228 N 1.00 0.15 -0.19 0.00 0.00 -1.53 -2.10 119.26 116.59 1krb h ALA 228 Ca 0.16 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1krb h ALA 228 Cb 0.31 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1krb h ALA 228 CO -0.00 -0.21 -0.05 0.82 0.00 0.00 0.00 179.25 179.81 1krb h ILE 229 N -0.04 0.81 -0.49 0.00 2.04 -1.05 -1.22 117.51 117.55 1krb h ILE 229 Ca 0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 1krb h ILE 229 Cb 0.28 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1krb h ILE 229 CO 0.00 0.00 0.20 -0.78 0.00 0.00 0.00 178.15 177.57 1krb h ASP 230 N -0.01 0.64 -0.20 1.72 3.58 -1.18 -1.68 116.42 119.29 1krb h ASP 230 Ca 0.09 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 1krb h ASP 230 Cb 0.14 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 1krb h ASP 230 CO -0.19 0.58 -0.00 0.00 -2.88 0.00 0.00 179.24 176.74 1krb h ALA 232 N 0.78 0.73 -0.23 0.00 0.00 -1.02 -2.47 119.26 117.06 1krb h ALA 232 Ca 0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1krb h ALA 232 Cb 0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1krb h ALA 232 CO 0.01 0.21 -0.11 -0.07 0.00 0.00 0.00 179.25 179.29 1krb h LEU 233 N 0.77 0.36 -0.30 0.00 3.38 -1.24 -0.32 115.31 117.97 1krb h LEU 233 Ca 0.21 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1krb h LEU 233 Cb -0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1krb h LEU 233 CO -0.04 0.50 0.09 0.74 0.09 0.00 0.00 178.44 179.83 1krb h THR 234 N 0.36 1.20 -0.39 0.22 2.02 -0.90 -0.87 112.91 114.56 1krb h THR 234 Ca 0.07 -0.65 -0.12 0.00 0.77 0.00 0.00 66.41 66.48 1krb h THR 234 Cb 0.41 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1krb h THR 234 CO 0.02 0.22 -0.23 0.58 0.37 0.00 0.00 175.52 176.48 1krb h VAL 235 N 0.32 1.28 -0.63 3.16 2.07 -1.23 -2.48 116.25 118.74 1krb h VAL 235 Ca 0.10 -1.38 0.07 0.00 0.82 0.00 0.00 66.70 66.30 1krb h VAL 235 Cb 0.24 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1krb h VAL 235 CO -0.00 0.46 0.32 0.00 0.02 0.00 0.00 177.57 178.37 1krb h ALA 236 N 0.80 0.84 -0.41 1.67 0.00 -0.97 0.62 119.26 121.80 1krb h ALA 236 Ca 0.08 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1krb h ALA 236 Cb 0.80 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1krb h ALA 236 CO 0.07 -0.03 0.24 -0.44 0.00 0.00 0.00 179.25 179.09 1krb h ASP 237 N 0.59 0.49 0.26 0.00 3.32 -0.92 -0.07 116.42 120.08 1krb h ASP 237 Ca 0.29 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1krb h ASP 237 Cb 0.23 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1krb h ASP 237 CO -0.21 0.38 -0.61 -1.84 -1.72 0.00 0.00 179.24 175.24 1krb n GLU 238 N -4.45 0.26 0.00 3.56 0.28 -0.55 -4.33 120.64 115.41 1krb n GLU 238 Ca 0.03 -0.18 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 1krb n GLU 238 Cb 0.08 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.46 1krb n GLU 238 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1krb n MET 239 N -1.22 -0.48 -3.25 3.44 2.81 0.10 -5.03 117.12 113.50 1krb n MET 239 Ca 0.06 -0.53 -0.15 0.00 -1.81 0.00 0.00 57.70 55.28 1krb n MET 239 Cb 0.35 -0.99 0.08 0.00 -0.71 0.00 0.00 33.22 31.94 1krb n MET 239 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1krb n ASP 240 N 0.00 -2.27 -4.34 7.83 2.03 -0.08 -4.69 116.55 115.02 1krb n ASP 240 Ca 0.01 -0.55 -0.18 0.00 0.52 0.00 0.00 54.79 54.58 1krb n ASP 240 Cb 0.02 -4.59 -0.10 0.00 -0.72 0.00 0.00 41.12 35.73 1krb n ASP 240 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1krb s ILE 241 N -3.32 1.70 0.21 5.18 -5.25 -1.17 -4.47 121.20 114.08 1krb s ILE 241 Ca 0.02 -2.20 -0.08 0.00 -0.99 0.00 0.00 60.65 57.40 1krb s ILE 241 Cb -0.00 -2.04 -0.07 0.00 2.95 0.00 0.00 42.46 43.30 1krb s ILE 241 CO 0.64 -0.60 0.50 -1.58 -1.79 0.00 0.00 174.94 172.11 1krb s GLN 242 N -3.65 3.74 -0.10 0.37 2.00 -1.18 -4.69 119.66 116.15 1krb s GLN 242 Ca 0.22 0.15 0.01 0.00 -2.00 0.00 0.00 55.36 53.74 1krb s GLN 242 Cb -0.01 -2.71 -0.02 0.00 0.80 0.00 0.00 33.01 31.08 1krb s GLN 242 CO 0.06 0.36 -0.10 0.08 -0.50 0.00 0.00 175.29 175.19 1krb s VAL 243 N -1.78 3.34 -0.12 1.34 1.01 -1.26 -0.94 120.40 121.99 1krb s VAL 243 Ca 0.45 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1krb s VAL 243 Cb -0.11 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 1krb s VAL 243 CO 0.23 0.55 -0.12 0.00 0.00 0.00 0.00 175.10 175.76 1krb s ALA 244 N -0.20 2.70 -0.05 5.51 0.00 -0.37 -0.98 121.76 128.37 1krb s ALA 244 Ca 0.01 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.14 1krb s ALA 244 Cb -0.13 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 1krb s ALA 244 CO 0.03 0.32 -0.23 -1.17 0.00 0.00 0.00 175.76 174.71 1krb s LEU 245 N 0.09 2.20 -0.33 0.00 2.96 0.48 -0.53 118.68 123.54 1krb s LEU 245 Ca -0.05 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1krb s LEU 245 Cb -0.14 -1.41 0.10 0.00 0.50 0.00 0.00 46.19 45.24 1krb s LEU 245 CO 0.04 0.27 0.09 -2.28 -1.32 0.00 0.00 176.35 173.15 1krb s HIS 246 N -0.29 2.56 1.20 5.38 5.65 0.71 -1.59 115.29 128.92 1krb s HIS 246 Ca 0.01 -2.29 -0.19 0.00 0.25 0.00 0.00 55.06 52.84 1krb s HIS 246 Cb -0.13 -2.22 0.29 0.00 -1.18 0.00 0.00 32.58 29.33 1krb s HIS 246 CO 0.02 -0.90 1.10 -1.54 -0.65 0.00 0.00 174.74 172.77 1krb s SER 247 N 1.26 0.90 -0.99 9.88 1.04 -1.26 -2.61 113.70 121.91 1krb s SER 247 Ca 0.11 0.70 -0.23 0.00 0.48 0.00 0.00 55.95 57.00 1krb s SER 247 Cb -0.18 -0.99 0.01 0.00 0.10 0.00 0.00 66.02 64.96 1krb s SER 247 CO -0.17 -4.14 1.68 -0.62 0.98 0.00 0.00 173.24 170.97 1krb s ASP 248 N -3.79 5.92 0.28 7.02 -1.08 -1.26 -3.88 116.67 119.88 1krb s ASP 248 Ca 0.70 -1.19 -0.01 0.00 -0.52 0.00 0.00 52.55 51.53 1krb s ASP 248 Cb -0.11 -2.57 0.47 0.00 -1.46 0.00 0.00 42.92 39.26 1krb s ASP 248 CO 0.56 -2.05 1.90 0.74 0.52 0.00 0.00 175.17 176.84 1krb h THR 249 N 6.91 1.08 0.00 1.71 2.02 -1.92 -2.13 112.91 120.58 1krb h THR 249 Ca 0.17 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1krb h THR 249 Cb 1.00 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1krb h THR 249 CO 1.34 0.20 0.00 0.18 0.37 0.00 0.00 175.52 177.61 1krb n LEU 250 N -4.49 0.00 -1.97 2.58 4.77 -1.26 -2.87 117.00 113.76 1krb n LEU 250 Ca 0.15 0.39 -0.17 0.00 -0.03 0.00 0.00 56.01 56.34 1krb n LEU 250 Cb 0.19 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 1krb n LEU 250 CO 0.33 -0.20 -0.19 0.59 -1.33 0.00 0.00 177.39 176.58 1krb n ASN 251 N -1.39 -4.83 -0.31 -1.43 3.02 -0.80 -4.85 115.26 104.68 1krb n ASN 251 Ca 0.05 0.25 -0.04 0.00 -0.03 0.00 0.00 54.58 54.81 1krb n ASN 251 Cb 0.14 -4.19 0.08 0.00 -0.61 0.00 0.00 39.78 35.20 1krb n ASN 251 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1krb h GLU 252 N 0.00 1.11 -0.00 3.52 4.81 -1.88 -3.09 114.58 119.05 1krb h GLU 252 Ca -0.38 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1krb h GLU 252 Cb 1.22 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1krb h GLU 252 CO 0.50 0.74 -0.87 -1.13 -0.73 0.00 0.00 179.01 177.52 1krb n SER 253 N -4.50 1.12 0.00 1.04 3.41 -1.26 -5.06 113.62 108.37 1krb n SER 253 Ca 0.09 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 1krb n SER 253 Cb 0.02 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 1krb n SER 253 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1krb n GLY 254 N 1.46 0.91 0.92 5.00 0.00 -1.17 -4.91 105.19 107.39 1krb n GLY 254 Ca 0.05 -1.32 -0.06 0.00 0.00 0.00 0.00 46.02 44.69 1krb n GLY 254 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1krb n PHE 255 N -1.17 -3.53 -0.37 1.61 3.72 -1.26 -4.30 117.46 112.16 1krb n PHE 255 Ca 0.00 -0.37 -0.01 0.00 -0.05 0.00 0.00 57.45 57.02 1krb n PHE 255 Cb 0.00 -0.20 0.13 0.00 -0.94 0.00 0.00 39.48 38.47 1krb n PHE 255 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 1krb h VAL 256 N -0.69 1.19 0.00 -4.37 3.04 -1.93 -1.77 116.25 111.72 1krb h VAL 256 Ca -0.09 -0.44 -0.02 0.00 -1.01 0.00 0.00 66.70 65.15 1krb h VAL 256 Cb 0.29 -0.19 -0.00 0.00 -2.01 0.00 0.00 31.29 29.38 1krb h VAL 256 CO 0.08 0.23 -0.08 1.05 -1.01 0.00 0.00 177.57 177.84 1krb h GLU 257 N 1.27 0.00 -0.02 4.17 9.09 -1.96 0.16 114.58 127.29 1krb h GLU 257 Ca 0.38 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.57 1krb h GLU 257 Cb -0.04 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.08 1krb h GLU 257 CO -0.11 0.08 -0.86 -0.44 0.05 0.00 0.00 179.01 177.73 1krb h ASP 258 N 0.00 0.80 -0.39 3.06 3.32 -1.68 -0.87 116.42 120.66 1krb h ASP 258 Ca -0.00 -0.73 -0.00 0.00 0.02 0.00 0.00 57.03 56.32 1krb h ASP 258 Cb 0.18 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1krb h ASP 258 CO 0.01 1.42 0.24 0.74 -1.72 0.00 0.00 179.24 179.92 1krb h THR 259 N 0.26 1.12 -0.38 0.35 2.02 -0.99 0.19 112.91 115.48 1krb h THR 259 Ca -0.10 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1krb h THR 259 Cb 1.53 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1krb h THR 259 CO 0.17 0.13 0.21 -0.07 0.37 0.00 0.00 175.52 176.33 1krb h LEU 260 N 0.51 0.46 -0.30 2.58 3.38 -0.98 -0.64 115.31 120.33 1krb h LEU 260 Ca 0.14 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1krb h LEU 260 Cb -0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1krb h LEU 260 CO -0.03 0.37 -0.17 0.00 0.09 0.00 0.00 178.44 178.71 1krb h ALA 261 N 1.70 0.43 -1.00 1.53 0.00 -0.07 -2.78 119.26 119.06 1krb h ALA 261 Ca 0.14 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1krb h ALA 261 Cb 0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1krb h ALA 261 CO -0.02 0.34 0.65 0.00 0.00 0.00 0.00 179.25 180.22 1krb h ALA 262 N 0.75 1.37 -0.52 0.00 0.00 0.61 -1.45 119.26 120.02 1krb h ALA 262 Ca 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1krb h ALA 262 Cb 0.70 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1krb h ALA 262 CO 0.05 0.51 0.17 0.82 0.00 0.00 0.00 179.25 180.80 1krb h ILE 263 N 1.23 1.20 -6.14 0.00 2.04 -1.04 -3.41 117.51 111.39 1krb h ILE 263 Ca 0.41 -0.68 -0.44 0.00 1.00 0.00 0.00 64.86 65.16 1krb h ILE 263 Cb 0.08 0.62 0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1krb h ILE 263 CO -0.15 0.26 -0.78 0.61 0.00 0.00 0.00 178.15 178.09 1krb n GLY 264 N -1.01 -0.40 2.63 5.37 0.00 -0.55 -2.47 105.19 108.76 1krb n GLY 264 Ca 0.04 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1krb n GLY 264 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1krb n GLY 265 N -1.65 0.34 3.83 -0.02 0.00 -1.26 -5.01 105.19 101.43 1krb n GLY 265 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1krb n GLY 265 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1krb s ARG 266 N -0.77 4.14 0.22 1.61 0.52 -1.03 -4.80 118.95 118.83 1krb s ARG 266 Ca 0.00 0.76 -0.32 0.00 -0.52 0.00 0.00 55.73 55.65 1krb s ARG 266 Cb 0.00 -2.76 -0.13 0.00 0.52 0.00 0.00 34.95 32.58 1krb s ARG 266 CO 0.00 0.34 1.48 2.41 0.02 0.00 0.00 175.30 179.55 1krb n THR 267 N 0.41 0.63 -3.60 0.02 -1.04 -1.26 -4.80 114.28 104.65 1krb n THR 267 Ca -0.01 -0.16 -0.15 0.00 -2.04 0.00 0.00 64.05 61.69 1krb n THR 267 Cb 0.52 -1.53 -0.07 0.00 -1.82 0.00 0.00 70.33 67.42 1krb n THR 267 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1krb s ILE 268 N 0.27 0.00 -0.34 12.58 2.07 -0.74 -4.73 121.20 130.32 1krb s ILE 268 Ca 0.71 -0.01 -0.14 0.00 -1.41 0.00 0.00 60.65 59.80 1krb s ILE 268 Cb -0.65 -0.97 -0.02 0.00 0.13 0.00 0.00 42.46 40.96 1krb s ILE 268 CO 0.46 -0.01 0.30 -2.28 -1.91 0.00 0.00 174.94 171.50 1krb s HIS 269 N -0.22 3.22 -0.26 3.50 5.65 -0.15 -1.36 115.29 125.66 1krb s HIS 269 Ca -0.04 -0.10 -0.18 0.00 0.25 0.00 0.00 55.06 54.98 1krb s HIS 269 Cb -0.03 -2.56 -0.02 0.00 -1.18 0.00 0.00 32.58 28.78 1krb s HIS 269 CO 0.04 -0.38 0.54 0.95 -0.65 0.00 0.00 174.74 175.24 1krb s THR 270 N 1.86 5.05 0.45 0.89 -4.23 -0.68 -0.39 115.64 118.59 1krb s THR 270 Ca 0.09 0.92 -0.21 0.00 -1.18 0.00 0.00 61.69 61.31 1krb s THR 270 Cb -0.17 -3.86 -0.10 0.00 1.34 0.00 0.00 72.50 69.71 1krb s THR 270 CO 0.11 0.06 0.97 -0.36 -0.54 0.00 0.00 174.62 174.86 1krb s PHE 271 N 2.36 3.25 -0.59 3.99 0.08 -0.62 -2.25 117.98 124.20 1krb s PHE 271 Ca 0.22 1.60 -0.16 0.00 0.12 0.00 0.00 56.93 58.71 1krb s PHE 271 Cb -0.16 -2.89 0.02 0.00 -0.57 0.00 0.00 43.02 39.42 1krb s PHE 271 CO 0.09 -0.28 0.34 -2.39 -0.10 0.00 0.00 175.22 172.88 1krb n HIS 272 N -0.75 -0.72 0.28 0.36 1.44 -0.96 -4.77 115.22 110.10 1krb n HIS 272 Ca 0.07 0.06 0.16 0.00 -2.01 0.00 0.00 57.72 56.00 1krb n HIS 272 Cb 0.54 -1.37 0.83 0.00 0.12 0.00 0.00 29.99 30.11 1krb n HIS 272 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 1krb h THR 273 N 0.23 0.00 -0.01 0.61 2.02 -1.42 -1.08 112.91 113.26 1krb h THR 273 Ca -0.36 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.67 1krb h THR 273 Cb 0.70 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1krb h THR 273 CO 0.25 0.00 -0.69 -0.08 0.37 0.00 0.00 175.52 175.37 1krb h GLU 274 N 0.00 0.07 0.00 6.66 4.22 -1.86 -2.40 114.58 121.27 1krb h GLU 274 Ca 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.38 1krb h GLU 274 Cb 0.35 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1krb h GLU 274 CO 0.00 0.73 0.00 0.41 -2.18 0.00 0.00 179.01 177.97 1krb n GLY 275 N 0.46 2.01 0.25 1.92 0.00 -0.41 -4.48 105.19 104.95 1krb n GLY 275 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 1krb n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krb h ALA 276 N 0.00 0.88 0.00 4.61 0.00 -1.80 -0.50 119.26 122.45 1krb h ALA 276 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1krb h ALA 276 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1krb h ALA 276 CO 0.00 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1krb n GLY 277 N -1.29 -1.00 0.00 0.00 0.00 -1.26 -4.82 105.19 96.82 1krb n GLY 277 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1krb n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1krb n GLY 278 N 1.00 4.61 0.00 -0.02 0.00 -0.19 -5.00 105.19 105.59 1krb n GLY 278 Ca 0.24 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1krb n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1krb n GLY 279 N -1.61 4.19 3.53 -0.02 0.00 -1.25 -4.37 105.19 105.65 1krb n GLY 279 Ca 0.00 -1.55 -0.61 0.00 0.00 0.00 0.00 46.02 43.86 1krb n GLY 279 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1krb n HIS 280 N -1.76 0.94 -3.44 1.61 8.25 -1.25 -4.06 115.22 115.51 1krb n HIS 280 Ca 0.00 1.07 -0.37 0.00 -0.26 0.00 0.00 57.72 58.16 1krb n HIS 280 Cb 0.00 -2.11 -0.06 0.00 1.12 0.00 0.00 29.99 28.94 1krb n HIS 280 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1krb s ALA 281 N 0.81 3.55 -0.70 -1.41 0.00 -1.14 -1.94 121.76 120.94 1krb s ALA 281 Ca 0.94 -0.32 0.13 0.00 0.00 0.00 0.00 51.96 52.71 1krb s ALA 281 Cb -1.32 -2.50 0.40 0.00 0.00 0.00 0.00 23.12 19.70 1krb s ALA 281 CO 0.63 0.10 1.33 -0.35 0.00 0.00 0.00 175.76 177.47 1krb n PRO 282 N 3.41 2.93 -0.95 0.00 -0.04 -1.26 -4.95 135.00 134.15 1krb n PRO 282 Ca -0.10 -2.35 -0.10 0.00 -0.04 0.00 0.00 63.50 60.92 1krb n PRO 282 Cb 0.52 -1.48 0.18 0.00 -0.04 0.00 0.00 33.50 32.68 1krb n PRO 282 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1krb n ASP 283 N 0.22 2.93 0.25 3.54 5.68 -1.12 -4.64 116.55 123.41 1krb n ASP 283 Ca 0.15 -3.77 0.10 0.00 -0.50 0.00 0.00 54.79 50.77 1krb n ASP 283 Cb 0.60 -0.67 0.63 0.00 -1.14 0.00 0.00 41.12 40.54 1krb n ASP 283 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1krb h ILE 284 N 1.05 0.78 -0.03 2.12 6.09 -1.66 -2.44 117.51 123.41 1krb h ILE 284 Ca 0.31 -0.63 0.01 0.00 -1.37 0.00 0.00 64.86 63.18 1krb h ILE 284 Cb 1.82 1.38 -0.00 0.00 0.47 0.00 0.00 36.82 40.49 1krb h ILE 284 CO 0.56 0.16 0.17 -0.29 -3.07 0.00 0.00 178.15 175.68 1krb h ILE 285 N 0.00 0.07 0.00 2.19 2.10 -1.65 -1.14 117.51 119.09 1krb h ILE 285 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1krb h ILE 285 Cb 0.36 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 36.93 1krb h ILE 285 CO 0.02 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.44 1krb n THR 286 N -3.11 0.80 0.22 2.19 -2.24 -0.92 -2.87 114.28 108.36 1krb n THR 286 Ca -0.02 0.20 0.06 0.00 -2.27 0.00 0.00 64.05 62.02 1krb n THR 286 Cb 0.24 -0.96 0.51 0.00 -2.10 0.00 0.00 70.33 68.03 1krb n THR 286 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1krb h ALA 287 N 2.59 1.62 0.00 6.98 0.00 -1.43 -2.90 119.26 126.13 1krb h ALA 287 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1krb h ALA 287 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1krb h ALA 287 CO 0.00 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1krb n ALA 289 N -1.34 2.76 -2.57 0.00 0.00 -1.09 -4.41 120.51 113.86 1krb n ALA 289 Ca 0.01 -0.18 -0.34 0.00 0.00 0.00 0.00 53.44 52.93 1krb n ALA 289 Cb 0.02 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.10 1krb n ALA 289 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1krb s HIS 290 N -3.06 3.58 0.27 0.00 3.76 -0.75 -4.67 115.29 114.42 1krb s HIS 290 Ca 0.11 0.78 0.23 0.00 -0.15 0.00 0.00 55.06 56.03 1krb s HIS 290 Cb 0.16 -2.16 1.03 0.00 1.11 0.00 0.00 32.58 32.72 1krb s HIS 290 CO 0.63 0.51 1.89 -1.00 -0.85 0.00 0.00 174.74 175.92 1krb h PRO 291 N 3.66 0.00 -0.02 8.40 0.13 -1.90 -3.08 132.00 139.18 1krb h PRO 291 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1krb h PRO 291 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1krb h PRO 291 CO 0.67 0.24 -0.19 0.27 -0.23 0.00 0.00 178.00 178.76 1krb n ASN 292 N -3.60 1.82 -4.72 1.44 6.94 -1.26 -0.33 115.26 115.55 1krb n ASN 292 Ca -0.01 -1.44 -0.36 0.00 -0.02 0.00 0.00 54.58 52.75 1krb n ASN 292 Cb 0.38 0.15 -0.08 0.00 -2.36 0.00 0.00 39.78 37.87 1krb n ASN 292 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1krb s ILE 293 N -2.25 5.34 -0.49 1.53 -1.09 -1.17 -1.79 121.20 121.29 1krb s ILE 293 Ca 0.27 0.40 -0.06 0.00 -2.23 0.00 0.00 60.65 59.03 1krb s ILE 293 Cb 0.20 -3.57 0.13 0.00 -1.58 0.00 0.00 42.46 37.63 1krb s ILE 293 CO 0.44 0.40 0.32 -0.76 -1.23 0.00 0.00 174.94 174.10 1krb s LEU 294 N 0.52 5.49 0.11 2.97 1.43 -0.47 -4.34 118.68 124.40 1krb s LEU 294 Ca 0.13 -2.15 -0.25 0.00 -1.03 0.00 0.00 54.13 50.83 1krb s LEU 294 Cb -0.12 -1.92 -0.07 0.00 0.03 0.00 0.00 46.19 44.11 1krb s LEU 294 CO 0.02 -0.58 0.78 -2.16 0.23 0.00 0.00 176.35 174.64 1krb s PRO 295 N 0.99 4.54 0.08 1.29 0.04 -1.26 -1.68 135.00 138.99 1krb s PRO 295 Ca 0.09 1.12 0.01 0.00 0.04 0.00 0.00 61.00 62.27 1krb s PRO 295 Cb -0.23 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 1krb s PRO 295 CO -0.03 0.44 -0.06 -1.54 0.04 0.00 0.00 177.00 175.85 1krb s SER 296 N -0.65 0.94 0.11 6.66 1.04 -0.96 -1.80 113.70 119.05 1krb s SER 296 Ca 0.37 -0.90 0.06 0.00 0.48 0.00 0.00 55.95 55.96 1krb s SER 296 Cb -0.22 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.96 1krb s SER 296 CO 0.25 -0.43 -0.05 -0.44 0.98 0.00 0.00 173.24 173.55 1krb s SER 297 N -2.69 4.69 0.40 7.02 0.01 -0.31 -1.40 113.70 121.42 1krb s SER 297 Ca 0.06 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.02 1krb s SER 297 Cb 0.02 -1.00 -0.02 0.00 0.21 0.00 0.00 66.02 65.24 1krb s SER 297 CO -0.05 0.16 0.61 0.42 0.41 0.00 0.00 173.24 174.79 1krb s THR 298 N -1.33 4.48 -0.50 1.44 -4.23 -1.26 -0.09 115.64 114.15 1krb s THR 298 Ca 0.24 -0.51 0.24 0.00 -1.18 0.00 0.00 61.69 60.48 1krb s THR 298 Cb -0.11 -3.64 0.26 0.00 1.34 0.00 0.00 72.50 70.35 1krb s THR 298 CO 0.16 -0.42 1.56 -0.55 -0.54 0.00 0.00 174.62 174.83 1krb h ASN 299 N 0.58 0.00 0.14 3.99 7.08 -1.09 -3.38 115.58 122.90 1krb h ASN 299 Ca -0.48 -0.02 -0.02 0.00 -3.08 0.00 0.00 56.30 52.71 1krb h ASN 299 Cb 1.24 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.48 1krb h ASN 299 CO 0.59 0.01 -0.08 1.55 -2.08 0.00 0.00 177.43 177.41 1krb h PRO 300 N 0.00 0.00 -0.12 4.14 0.13 -1.82 -1.33 132.00 133.00 1krb h PRO 300 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1krb h PRO 300 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1krb h PRO 300 CO 0.00 0.08 0.00 0.25 -0.23 0.00 0.00 178.00 178.10 1krb n THR 301 N -4.08 0.15 -3.88 1.56 -2.24 -1.26 -4.76 114.28 99.77 1krb n THR 301 Ca -0.03 -0.24 -0.36 0.00 -2.27 0.00 0.00 64.05 61.16 1krb n THR 301 Cb 0.17 0.15 -0.14 0.00 -2.10 0.00 0.00 70.33 68.41 1krb n THR 301 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1krb s LEU 302 N -1.53 3.45 0.62 3.22 1.43 -0.50 -3.39 118.68 121.98 1krb s LEU 302 Ca 0.30 -0.79 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 1krb s LEU 302 Cb 0.15 -1.75 0.10 0.00 0.03 0.00 0.00 46.19 44.72 1krb s LEU 302 CO 0.24 -0.15 0.85 -2.16 0.23 0.00 0.00 176.35 175.36 1krb s PRO 303 N 1.40 2.11 -0.15 1.29 0.04 -1.26 -4.82 135.00 133.62 1krb s PRO 303 Ca 0.01 -1.56 -0.29 0.00 0.04 0.00 0.00 61.00 59.20 1krb s PRO 303 Cb -0.17 -2.57 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 1krb s PRO 303 CO -0.02 -1.04 1.63 -0.47 0.04 0.00 0.00 177.00 177.14 1krb s TYR 304 N -2.80 2.06 0.43 0.56 5.04 -1.22 -4.96 117.35 116.45 1krb s TYR 304 Ca 0.63 0.42 0.03 0.00 -2.44 0.00 0.00 57.07 55.72 1krb s TYR 304 Cb -0.05 -3.93 -0.02 0.00 0.35 0.00 0.00 41.96 38.31 1krb s TYR 304 CO 0.41 -3.29 0.11 0.95 -1.34 0.00 0.00 175.55 172.39 1krb s THR 305 N 4.74 0.67 0.34 4.34 -4.23 -1.26 -1.34 115.64 118.89 1krb s THR 305 Ca 0.72 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.31 1krb s THR 305 Cb -0.28 -2.31 0.10 0.00 1.34 0.00 0.00 72.50 71.35 1krb s THR 305 CO 0.29 0.00 1.81 -0.07 -0.54 0.00 0.00 174.62 176.11 1krb h LEU 306 N 1.71 0.26 -1.78 4.79 3.38 -1.16 -3.16 115.31 119.35 1krb h LEU 306 Ca -0.36 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1krb h LEU 306 Cb 1.28 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1krb h LEU 306 CO 0.59 0.52 0.00 0.59 0.09 0.00 0.00 178.44 180.23 1krb n ASN 307 N -4.16 2.74 0.10 -0.43 3.02 -1.26 -4.60 115.26 110.67 1krb n ASN 307 Ca -0.01 -1.90 -0.13 0.00 -0.03 0.00 0.00 54.58 52.51 1krb n ASN 307 Cb 0.36 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.43 1krb n ASN 307 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1krb h THR 308 N 4.15 0.29 0.35 3.41 2.02 -1.93 -2.99 112.91 118.21 1krb h THR 308 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1krb h THR 308 Cb 0.89 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1krb h THR 308 CO 0.00 0.00 -0.17 0.40 0.37 0.00 0.00 175.52 176.12 1krb h ILE 309 N -0.54 0.66 -1.01 3.11 1.08 -1.82 -3.07 117.51 115.92 1krb h ILE 309 Ca 0.04 -0.13 0.24 0.00 -0.39 0.00 0.00 64.86 64.61 1krb h ILE 309 Cb 0.59 0.73 -0.12 0.00 -3.07 0.00 0.00 36.82 34.95 1krb h ILE 309 CO -0.22 0.03 0.61 0.44 -0.69 0.00 0.00 178.15 178.31 1krb h ASP 310 N -0.55 0.67 1.19 1.72 3.32 -1.86 -1.11 116.42 119.81 1krb h ASP 310 Ca -0.05 0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 1krb h ASP 310 Cb 0.41 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1krb h ASP 310 CO 0.08 0.14 -0.35 -0.08 -1.72 0.00 0.00 179.24 177.31 1krb h GLU 311 N 0.60 0.00 -0.38 3.56 4.81 -1.51 -3.39 114.58 118.28 1krb h GLU 311 Ca 0.63 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.71 1krb h GLU 311 Cb 1.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1krb h GLU 311 CO -0.44 0.35 -0.35 0.45 -0.73 0.00 0.00 179.01 178.29 1krb h HIS 312 N 0.00 1.03 0.31 0.92 3.86 -1.10 -3.33 115.15 116.84 1krb h HIS 312 Ca -0.00 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 1krb h HIS 312 Cb 1.04 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 29.26 1krb h HIS 312 CO 0.00 1.09 -0.35 1.25 0.86 0.00 0.00 177.93 180.78 1krb h LEU 313 N 0.72 -0.96 -1.22 2.43 5.85 -1.77 -1.86 115.31 118.51 1krb h LEU 313 Ca 0.07 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1krb h LEU 313 Cb 0.92 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1krb h LEU 313 CO 0.08 -0.48 -0.38 0.44 -0.34 0.00 0.00 178.44 177.76 1krb h ASP 314 N -0.70 0.01 -0.18 1.25 3.32 -1.87 -2.19 116.42 116.06 1krb h ASP 314 Ca -0.01 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1krb h ASP 314 Cb 0.65 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1krb h ASP 314 CO -0.09 0.39 0.10 -0.03 -1.72 0.00 0.00 179.24 177.90 1krb h MET 315 N 0.01 0.25 -0.74 3.56 4.05 -1.62 -2.27 114.93 118.17 1krb h MET 315 Ca -0.00 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.34 1krb h MET 315 Cb 0.68 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.40 1krb h MET 315 CO 0.05 0.24 0.26 1.25 0.23 0.00 0.00 176.91 178.94 1krb h LEU 316 N 0.19 1.05 0.28 3.39 5.85 -1.05 -2.06 115.31 122.97 1krb h LEU 316 Ca 0.06 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1krb h LEU 316 Cb 0.06 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.82 1krb h LEU 316 CO -0.01 0.96 -0.14 0.24 -0.34 0.00 0.00 178.44 179.15 1krb h MET 317 N 1.10 -0.37 -0.65 1.25 2.86 -1.18 -2.40 114.93 115.53 1krb h MET 317 Ca 0.24 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 1krb h MET 317 Cb 0.26 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1krb h MET 317 CO -0.01 -0.23 0.33 0.28 1.06 0.00 0.00 176.91 178.34 1krb h VAL 318 N -0.41 1.22 0.51 -2.22 2.07 -1.35 -2.20 116.25 113.86 1krb h VAL 318 Ca -0.04 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1krb h VAL 318 Cb 0.31 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1krb h VAL 318 CO 0.06 0.24 -0.31 0.00 0.02 0.00 0.00 177.57 177.59 1krb n HIS 320 N -5.45 0.43 -3.66 0.00 -0.00 -0.91 -3.91 115.22 101.72 1krb n HIS 320 Ca -0.12 -0.19 -0.24 0.00 -0.00 0.00 0.00 57.72 57.17 1krb n HIS 320 Cb 0.34 -0.05 0.06 0.00 -0.00 0.00 0.00 29.99 30.35 1krb n HIS 320 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1krb n HIS 321 N 0.27 -2.46 -3.10 4.41 8.25 -0.93 -5.01 115.22 116.65 1krb n HIS 321 Ca 0.09 0.95 -0.24 0.00 -0.26 0.00 0.00 57.72 58.26 1krb n HIS 321 Cb 0.29 -4.69 -0.00 0.00 1.12 0.00 0.00 29.99 26.71 1krb n HIS 321 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1krb s LEU 322 N -7.03 3.83 -0.22 2.41 1.43 -0.88 -5.07 118.68 113.15 1krb s LEU 322 Ca 0.41 0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 54.01 1krb s LEU 322 Cb -0.19 -3.41 0.01 0.00 0.03 0.00 0.00 46.19 42.62 1krb s LEU 322 CO 0.77 -0.47 -0.08 -0.62 0.23 0.00 0.00 176.35 176.18 1krb s ASP 323 N -4.10 4.06 0.12 2.29 -1.08 -1.26 -4.79 116.67 111.90 1krb s ASP 323 Ca 0.44 -0.56 0.17 0.00 -0.52 0.00 0.00 52.55 52.07 1krb s ASP 323 Cb -0.10 -1.67 0.73 0.00 -1.46 0.00 0.00 42.92 40.42 1krb s ASP 323 CO 0.39 -0.04 1.52 -0.81 0.52 0.00 0.00 175.17 176.74 1krb n PRO 324 N 4.73 0.08 0.00 4.34 -0.04 -1.26 -1.16 135.00 141.69 1krb n PRO 324 Ca -0.18 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 63.78 1krb n PRO 324 Cb 0.50 -1.67 0.39 0.00 -0.04 0.00 0.00 33.50 32.68 1krb n PRO 324 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1krb n ASP 325 N -1.82 1.88 -4.21 3.54 8.00 -1.26 -4.71 116.55 117.98 1krb n ASP 325 Ca 0.02 -1.60 -0.36 0.00 0.71 0.00 0.00 54.79 53.56 1krb n ASP 325 Cb 0.16 0.02 -0.13 0.00 -0.02 0.00 0.00 41.12 41.16 1krb n ASP 325 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1krb s ILE 326 N -2.04 3.38 0.24 0.53 1.01 -0.31 -5.01 121.20 119.01 1krb s ILE 326 Ca 0.34 -1.38 -0.08 0.00 0.00 0.00 0.00 60.65 59.53 1krb s ILE 326 Cb 0.21 -2.99 0.28 0.00 0.01 0.00 0.00 42.46 39.97 1krb s ILE 326 CO 0.34 -0.23 1.63 0.00 0.00 0.00 0.00 174.94 176.68 1krb h ALA 327 N 8.11 0.74 0.00 9.38 0.00 -1.84 0.93 119.26 136.58 1krb h ALA 327 Ca -0.21 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1krb h ALA 327 Cb 1.07 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1krb h ALA 327 CO 0.59 -0.43 -0.11 0.93 0.00 0.00 0.00 179.25 180.23 1krb h GLU 328 N 0.08 0.00 0.03 0.00 3.07 -1.95 -0.70 114.58 115.11 1krb h GLU 328 Ca 0.41 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 59.00 1krb h GLU 328 Cb 0.71 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.63 1krb h GLU 328 CO -0.69 0.11 -1.07 -0.44 -1.40 0.00 0.00 179.01 175.53 1krb h ASP 329 N 0.00 0.78 0.30 1.42 5.19 -1.07 -2.65 116.42 120.38 1krb h ASP 329 Ca -0.00 -0.65 -0.18 0.00 -0.62 0.00 0.00 57.03 55.58 1krb h ASP 329 Cb 0.28 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 1krb h ASP 329 CO 0.01 1.46 -0.71 -0.37 -3.12 0.00 0.00 179.24 176.51 1krb h VAL 330 N 0.31 1.39 -0.05 -1.35 -1.51 -0.84 -2.49 116.25 111.71 1krb h VAL 330 Ca -0.13 -2.13 -0.10 0.00 -1.23 0.00 0.00 66.70 63.10 1krb h VAL 330 Cb 1.72 2.11 -0.01 0.00 -2.13 0.00 0.00 31.29 32.98 1krb h VAL 330 CO 0.20 0.64 -0.44 0.00 -1.23 0.00 0.00 177.57 176.74 1krb h ALA 331 N 0.99 1.17 -0.05 5.19 0.00 -1.20 -0.90 119.26 124.46 1krb h ALA 331 Ca -0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1krb h ALA 331 Cb 1.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1krb h ALA 331 CO 0.12 0.59 0.01 0.35 0.00 0.00 0.00 179.25 180.31 1krb h PHE 332 N 0.10 0.10 -0.19 0.00 3.57 -1.35 -0.93 116.94 118.24 1krb h PHE 332 Ca 0.01 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1krb h PHE 332 Cb 0.82 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1krb h PHE 332 CO 0.01 0.32 0.11 0.00 -2.23 0.00 0.00 178.31 176.52 1krb h ALA 333 N 0.76 0.24 -0.23 2.41 0.00 -1.16 -2.91 119.26 118.37 1krb h ALA 333 Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1krb h ALA 333 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1krb h ALA 333 CO 0.00 -0.23 -0.03 0.93 0.00 0.00 0.00 179.25 179.92 1krb h GLU 334 N 0.21 0.35 0.00 0.00 5.08 -1.13 -2.20 114.58 116.89 1krb h GLU 334 Ca 0.07 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1krb h GLU 334 Cb 0.05 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1krb h GLU 334 CO -0.01 0.41 0.00 0.66 -1.00 0.00 0.00 179.01 179.07 1krb h SER 335 N 0.34 0.00 1.21 1.42 4.64 -0.96 -2.95 113.55 117.25 1krb h SER 335 Ca 0.08 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1krb h SER 335 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1krb h SER 335 CO 0.01 0.00 -0.79 0.03 -0.87 0.00 0.00 176.83 175.21 1krb h ARG 336 N 0.00 0.00 -4.30 4.77 3.08 -1.36 -3.45 114.38 113.13 1krb h ARG 336 Ca 0.00 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 59.31 1krb h ARG 336 Cb 0.40 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.20 1krb h ARG 336 CO 0.00 0.03 -0.34 0.42 -1.07 0.00 0.00 179.97 179.01 1krb s ILE 337 N -3.29 4.93 -0.11 2.04 1.01 -1.12 -3.50 121.20 121.16 1krb s ILE 337 Ca 0.01 -1.27 -0.00 0.00 0.00 0.00 0.00 60.65 59.39 1krb s ILE 337 Cb 0.08 -4.02 0.02 0.00 0.01 0.00 0.00 42.46 38.56 1krb s ILE 337 CO 0.76 -0.63 -0.07 -0.13 0.00 0.00 0.00 174.94 174.87 1krb s ARG 338 N 1.57 1.50 0.34 2.79 0.52 -1.26 -4.99 118.95 119.42 1krb s ARG 338 Ca 0.04 -0.25 0.05 0.00 -0.52 0.00 0.00 55.73 55.06 1krb s ARG 338 Cb -0.25 -1.57 0.71 0.00 0.52 0.00 0.00 34.95 34.36 1krb s ARG 338 CO 0.04 -0.26 1.91 -0.09 0.02 0.00 0.00 175.30 176.92 1krb h ARG 339 N 8.16 0.79 -0.20 3.54 2.43 -1.98 -2.00 114.38 125.12 1krb h ARG 339 Ca -0.30 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 58.84 1krb h ARG 339 Cb 1.13 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 1krb h ARG 339 CO 0.40 0.52 0.10 0.93 -1.51 0.00 0.00 179.97 180.42 1krb h GLU 340 N 0.81 0.21 0.01 0.20 3.07 -1.92 -1.04 114.58 115.93 1krb h GLU 340 Ca 0.39 -0.01 -0.20 0.00 -0.50 0.00 0.00 59.36 59.04 1krb h GLU 340 Cb 0.43 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 1krb h GLU 340 CO -0.16 0.14 -0.93 1.79 -1.40 0.00 0.00 179.01 178.45 1krb h THR 341 N 0.22 1.59 -0.50 1.13 1.35 -1.69 -2.81 112.91 112.20 1krb h THR 341 Ca 0.08 -2.96 -0.01 0.00 -0.55 0.00 0.00 66.41 62.97 1krb h THR 341 Cb 0.01 2.64 -0.02 0.00 -1.73 0.00 0.00 68.15 69.05 1krb h THR 341 CO -0.05 0.85 0.29 0.40 -0.25 0.00 0.00 175.52 176.76 1krb h ILE 342 N 0.04 1.16 -0.47 6.82 2.04 -1.11 -1.40 117.51 124.59 1krb h ILE 342 Ca -0.03 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.32 1krb h ILE 342 Cb 1.61 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1krb h ILE 342 CO 0.13 0.17 -0.16 0.00 0.00 0.00 0.00 178.15 178.29 1krb h ALA 343 N 1.13 0.83 -0.41 1.87 0.00 -1.22 -3.06 119.26 118.40 1krb h ALA 343 Ca 0.18 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1krb h ALA 343 Cb 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1krb h ALA 343 CO -0.03 0.65 -0.10 0.00 0.00 0.00 0.00 179.25 179.76 1krb h ALA 344 N 1.01 1.06 -0.94 0.00 0.00 -1.21 -3.20 119.26 115.97 1krb h ALA 344 Ca 0.12 -0.30 0.17 0.00 0.00 0.00 0.00 54.91 54.90 1krb h ALA 344 Cb 0.70 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.22 1krb h ALA 344 CO 0.05 0.58 0.54 1.49 0.00 0.00 0.00 179.25 181.91 1krb h GLU 345 N 0.65 0.68 -0.47 0.00 4.81 -1.15 -0.96 114.58 118.14 1krb h GLU 345 Ca 0.11 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1krb h GLU 345 Cb 0.56 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1krb h GLU 345 CO 0.03 0.45 0.24 -0.44 -0.73 0.00 0.00 179.01 178.56 1krb h ASP 346 N 0.70 0.61 -0.46 1.04 3.32 -1.66 -2.12 116.42 117.84 1krb h ASP 346 Ca 0.53 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.39 1krb h ASP 346 Cb 0.81 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1krb h ASP 346 CO -0.38 0.55 -0.01 0.58 -1.72 0.00 0.00 179.24 178.26 1krb h VAL 347 N 0.62 1.26 0.00 -1.35 2.07 -1.42 -2.35 116.25 115.09 1krb h VAL 347 Ca 0.16 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 1krb h VAL 347 Cb 0.09 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1krb h VAL 347 CO -0.02 0.37 -0.09 -0.07 0.02 0.00 0.00 177.57 177.78 1krb h LEU 348 N 0.67 0.00 -0.11 2.57 3.38 -1.04 0.64 115.31 121.43 1krb h LEU 348 Ca 0.13 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1krb h LEU 348 Cb 0.52 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1krb h LEU 348 CO 0.03 0.09 -0.48 0.45 0.09 0.00 0.00 178.44 178.62 1krb h HIS 349 N 0.00 0.69 -0.41 1.13 3.86 -1.06 0.15 115.15 119.51 1krb h HIS 349 Ca -0.00 -0.30 -0.02 0.00 -1.16 0.00 0.00 60.37 58.89 1krb h HIS 349 Cb 0.17 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1krb h HIS 349 CO 0.00 1.07 0.18 0.22 0.86 0.00 0.00 177.93 180.27 1krb h ASP 350 N 0.11 0.52 1.64 2.45 3.58 -0.66 -1.70 116.42 122.35 1krb h ASP 350 Ca -0.03 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.37 1krb h ASP 350 Cb 1.12 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1krb h ASP 350 CO 0.10 0.46 -0.11 -0.07 -2.88 0.00 0.00 179.24 176.73 1krb h LEU 351 N 0.58 0.00 0.00 2.28 3.38 -0.92 -3.47 115.31 117.15 1krb h LEU 351 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1krb h LEU 351 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1krb h LEU 351 CO -0.02 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.13 1krb n GLY 352 N 1.21 0.83 0.07 0.83 0.00 -0.64 -4.71 105.19 102.78 1krb n GLY 352 Ca 0.04 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1krb n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krb h ALA 353 N 0.00 0.45 -3.11 4.61 0.00 -0.92 -2.30 119.26 117.99 1krb h ALA 353 Ca 0.00 -1.06 -0.63 0.00 0.00 0.00 0.00 54.91 53.22 1krb h ALA 353 Cb 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 17.79 17.63 1krb h ALA 353 CO 0.00 1.32 -0.60 -0.06 0.00 0.00 0.00 179.25 179.92 1krb s PHE 354 N -2.68 3.16 -0.59 0.00 0.40 -0.94 -4.82 117.98 112.52 1krb s PHE 354 Ca -0.01 -0.17 0.22 0.00 -0.60 0.00 0.00 56.93 56.37 1krb s PHE 354 Cb 0.09 -2.16 -0.23 0.00 0.51 0.00 0.00 43.02 41.23 1krb s PHE 354 CO 0.83 -0.10 0.76 0.43 0.70 0.00 0.00 175.22 177.83 1krb n SER 355 N 4.24 0.57 -4.08 1.36 7.64 -0.74 -4.64 113.62 117.97 1krb n SER 355 Ca -0.16 -0.52 -0.08 0.00 1.01 0.00 0.00 58.87 59.12 1krb n SER 355 Cb 0.52 1.35 -0.10 0.00 -1.01 0.00 0.00 64.21 64.96 1krb n SER 355 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1krb s LEU 356 N -3.69 2.46 0.01 -3.43 1.02 -0.91 -4.34 118.68 109.80 1krb s LEU 356 Ca 0.01 -0.94 0.04 0.00 0.02 0.00 0.00 54.13 53.27 1krb s LEU 356 Cb 0.15 0.16 -0.01 0.00 0.02 0.00 0.00 46.19 46.51 1krb s LEU 356 CO 0.88 -0.55 -0.12 0.42 0.02 0.00 0.00 176.35 176.99 1krb s THR 357 N -3.57 0.97 0.32 5.49 -4.23 -1.04 -1.16 115.64 112.42 1krb s THR 357 Ca 0.04 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1krb s THR 357 Cb 0.05 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 73.05 1krb s THR 357 CO -0.08 0.15 0.41 -1.54 -0.54 0.00 0.00 174.62 173.01 1krb n SER 358 N 2.43 -1.13 -0.04 3.99 3.41 0.88 -4.69 113.62 118.48 1krb n SER 358 Ca -0.16 -2.78 -0.03 0.00 -0.26 0.00 0.00 58.87 55.64 1krb n SER 358 Cb 0.55 2.17 -0.01 0.00 -0.26 0.00 0.00 64.21 66.66 1krb n SER 358 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1krb n SER 359 N -1.70 0.83 -0.43 4.04 3.41 -1.26 -1.40 113.62 117.11 1krb n SER 359 Ca 0.02 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1krb n SER 359 Cb 0.54 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1krb n SER 359 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1krb n ASP 360 N -3.33 -1.12 -3.56 4.04 -0.08 -0.83 -2.88 116.55 108.79 1krb n ASP 360 Ca -0.05 0.00 -0.50 0.00 -1.51 0.00 0.00 54.79 52.73 1krb n ASP 360 Cb 0.18 -0.28 -0.09 0.00 2.34 0.00 0.00 41.12 43.26 1krb n ASP 360 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1krb n SER 361 N 0.08 0.72 -1.77 1.67 3.41 -1.20 -0.95 113.62 115.57 1krb n SER 361 Ca 0.00 0.67 -0.17 0.00 -0.26 0.00 0.00 58.87 59.11 1krb n SER 361 Cb 0.28 -0.72 -0.06 0.00 -0.26 0.00 0.00 64.21 63.45 1krb n SER 361 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1krb n GLN 362 N 5.22 -1.53 -2.84 4.33 6.02 -0.63 -4.18 117.38 123.77 1krb n GLN 362 Ca 0.39 0.98 -0.12 0.00 -0.01 0.00 0.00 57.00 58.24 1krb n GLN 362 Cb -0.04 -5.39 0.03 0.00 1.02 0.00 0.00 30.24 25.86 1krb n GLN 362 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1krb n ALA 363 N 0.11 2.15 -1.81 -1.58 0.00 -0.13 -4.87 120.51 114.39 1krb n ALA 363 Ca -0.18 -2.75 0.00 0.00 0.00 0.00 0.00 53.44 50.51 1krb n ALA 363 Cb 0.60 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1krb n ALA 363 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1krb n MET 364 N 0.02 0.00 -3.53 0.00 2.81 -1.22 -4.90 117.12 110.29 1krb n MET 364 Ca 0.12 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.92 1krb n MET 364 Cb 0.76 -1.83 -0.03 0.00 -0.71 0.00 0.00 33.22 31.41 1krb n MET 364 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1krb s GLY 365 N -2.72 -0.41 -0.33 3.03 0.00 -0.89 -4.35 107.32 101.65 1krb s GLY 365 Ca 0.00 1.30 -0.03 0.00 0.00 0.00 0.00 44.72 45.99 1krb s GLY 365 CO 0.00 0.52 0.07 0.50 0.00 0.00 0.00 173.10 174.18 1krb s ARG 366 N -2.58 2.37 0.58 2.90 0.52 -1.26 -1.61 118.95 119.87 1krb s ARG 366 Ca 0.04 -1.37 0.29 0.00 -0.52 0.00 0.00 55.73 54.16 1krb s ARG 366 Cb -0.01 -3.32 1.47 0.00 0.52 0.00 0.00 34.95 33.61 1krb s ARG 366 CO -0.06 -0.73 1.90 -0.24 0.02 0.00 0.00 175.30 176.19 1krb h VAL 367 N 6.39 0.43 -0.59 3.52 3.04 -1.91 -1.58 116.25 125.55 1krb h VAL 367 Ca -0.20 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1krb h VAL 367 Cb 1.06 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 1krb h VAL 367 CO 0.58 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.75 1krb n GLY 368 N -1.55 2.77 0.21 3.17 0.00 -1.26 -4.43 105.19 104.10 1krb n GLY 368 Ca 0.10 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.46 1krb n GLY 368 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1krb n GLU 369 N 1.06 1.21 -0.08 1.61 1.02 -0.59 -4.77 120.64 120.10 1krb n GLU 369 Ca 0.22 -2.57 -0.14 0.00 -0.02 0.00 0.00 57.16 54.66 1krb n GLU 369 Cb 0.71 -1.42 -0.05 0.00 -0.02 0.00 0.00 31.44 30.66 1krb n GLU 369 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1krb h VAL 370 N 0.81 1.31 0.03 2.62 2.07 -1.80 -1.87 116.25 119.42 1krb h VAL 370 Ca -0.00 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 1krb h VAL 370 Cb 1.05 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1krb h VAL 370 CO 0.00 0.48 -0.02 0.40 0.02 0.00 0.00 177.57 178.45 1krb h ILE 371 N 0.39 1.38 -0.54 4.57 2.04 -1.89 -2.74 117.51 120.71 1krb h ILE 371 Ca 0.03 -1.40 0.09 0.00 1.00 0.00 0.00 64.86 64.57 1krb h ILE 371 Cb 0.90 2.30 -0.07 0.00 -0.74 0.00 0.00 36.82 39.21 1krb h ILE 371 CO 0.08 0.35 0.16 0.25 0.00 0.00 0.00 178.15 178.99 1krb h LEU 372 N -0.67 0.12 -0.53 1.44 6.46 -1.64 -2.27 115.31 118.22 1krb h LEU 372 Ca -0.00 0.08 -0.16 0.00 -0.12 0.00 0.00 57.88 57.67 1krb h LEU 372 Cb 0.61 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 1krb h LEU 372 CO 0.01 0.09 -0.66 0.03 -0.62 0.00 0.00 178.44 177.28 1krb h ARG 373 N 0.32 0.32 -0.79 1.25 3.08 -1.43 -2.26 114.38 114.87 1krb h ARG 373 Ca 0.27 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 60.09 1krb h ARG 373 Cb 0.34 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 1krb h ARG 373 CO -0.30 0.87 0.52 1.15 -1.07 0.00 0.00 179.97 181.13 1krb h THR 374 N 0.23 1.19 0.00 2.04 2.02 -1.11 -0.95 112.91 116.32 1krb h THR 374 Ca -0.02 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.69 1krb h THR 374 Cb 1.20 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1krb h THR 374 CO 0.11 0.19 -0.56 -0.50 0.37 0.00 0.00 175.52 175.14 1krb h TRP 375 N 1.06 0.00 -0.40 3.16 4.06 -1.35 -2.22 115.95 120.26 1krb h TRP 375 Ca 0.29 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 61.14 1krb h TRP 375 Cb -0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.04 1krb h TRP 375 CO -0.02 0.56 -0.18 1.96 -3.56 0.00 0.00 178.44 177.20 1krb h GLN 376 N 0.00 0.75 -0.34 0.49 4.20 -0.72 -1.19 115.11 118.30 1krb h GLN 376 Ca -0.01 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.38 1krb h GLN 376 Cb 1.11 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1krb h GLN 376 CO 0.07 0.88 0.01 0.28 -0.67 0.00 0.00 178.83 179.40 1krb h VAL 377 N 0.67 1.25 -0.64 -0.54 2.07 -0.91 -1.52 116.25 116.63 1krb h VAL 377 Ca 0.10 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.74 1krb h VAL 377 Cb 0.67 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1krb h VAL 377 CO 0.05 0.31 0.35 0.00 0.02 0.00 0.00 177.57 178.30 1krb h ALA 378 N 0.86 0.86 0.42 1.67 0.00 -1.15 -0.38 119.26 121.55 1krb h ALA 378 Ca 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1krb h ALA 378 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1krb h ALA 378 CO 0.01 0.02 -0.20 1.25 0.00 0.00 0.00 179.25 180.33 1krb h HIS 379 N 0.65 -0.53 -0.31 0.00 6.17 -1.04 -1.48 115.15 118.61 1krb h HIS 379 Ca 0.29 -0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.36 1krb h HIS 379 Cb 0.19 0.17 -0.02 0.00 2.52 0.00 0.00 27.41 30.28 1krb h HIS 379 CO -0.08 -0.29 0.19 0.00 0.71 0.00 0.00 177.93 178.45 1krb h ARG 380 N -0.63 0.41 -0.04 5.26 2.47 -1.00 -1.00 114.38 119.85 1krb h ARG 380 Ca -0.06 -0.03 -0.22 0.00 -1.26 0.00 0.00 59.98 58.41 1krb h ARG 380 Cb 0.47 -0.09 0.01 0.00 -1.65 0.00 0.00 29.97 28.71 1krb h ARG 380 CO 0.10 0.29 -0.89 0.52 0.56 0.00 0.00 179.97 180.54 1krb h MET 381 N 0.42 0.52 -0.27 0.04 2.86 -0.96 -2.01 114.93 115.53 1krb h MET 381 Ca 0.11 -0.51 -0.04 0.00 -2.06 0.00 0.00 59.70 57.21 1krb h MET 381 Cb -0.02 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1krb h MET 381 CO -0.02 1.14 0.03 -0.22 1.06 0.00 0.00 176.91 178.90 1krb h LYS 382 N 0.32 0.46 -0.89 1.72 3.64 -0.70 0.42 116.57 121.54 1krb h LYS 382 Ca -0.07 -0.13 0.06 0.00 -1.27 0.00 0.00 60.65 59.24 1krb h LYS 382 Cb 1.51 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.23 1krb h LYS 382 CO 0.16 0.59 0.58 0.28 -2.27 0.00 0.00 179.45 178.79 1krb h VAL 383 N 0.27 1.07 0.07 2.00 2.07 -1.20 0.14 116.25 120.67 1krb h VAL 383 Ca 0.08 -0.35 -0.34 0.00 0.82 0.00 0.00 66.70 66.91 1krb h VAL 383 Cb 0.36 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1krb h VAL 383 CO 0.01 0.18 -1.94 0.00 0.02 0.00 0.00 177.57 175.84 1krb n GLN 384 N -4.48 0.71 -0.00 1.57 6.02 -0.76 -4.58 117.38 115.86 1krb n GLN 384 Ca 0.13 0.26 0.03 0.00 -0.01 0.00 0.00 57.00 57.42 1krb n GLN 384 Cb 0.19 -1.72 0.03 0.00 1.02 0.00 0.00 30.24 29.76 1krb n GLN 384 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1krb n ARG 385 N -3.30 0.06 0.00 -1.09 1.74 0.15 -5.08 116.66 109.14 1krb n ARG 385 Ca -0.28 -0.95 0.00 0.00 -0.77 0.00 0.00 57.85 55.86 1krb n ARG 385 Cb 1.05 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 31.36 1krb n ARG 385 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1krb n GLY 386 N 0.38 0.23 3.78 -0.13 0.00 0.49 -4.82 105.19 105.12 1krb n GLY 386 Ca 0.04 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 1krb n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krb s ALA 387 N -1.57 2.91 0.48 4.61 0.00 -1.26 -4.52 121.76 122.41 1krb s ALA 387 Ca 0.00 0.82 -0.16 0.00 0.00 0.00 0.00 51.96 52.62 1krb s ALA 387 Cb 0.00 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 1krb s ALA 387 CO 0.00 -0.56 0.94 -0.51 0.00 0.00 0.00 175.76 175.63 1krb s LEU 388 N -3.21 3.72 0.61 0.00 1.43 -1.26 -4.92 118.68 115.04 1krb s LEU 388 Ca 0.65 1.52 0.33 0.00 -1.03 0.00 0.00 54.13 55.60 1krb s LEU 388 Cb -0.25 -4.43 1.78 0.00 0.03 0.00 0.00 46.19 43.32 1krb s LEU 388 CO 0.30 -0.51 2.00 0.00 0.23 0.00 0.00 176.35 178.36 1krb h ALA 389 N 1.16 1.18 -0.01 4.21 0.00 -1.98 -0.80 119.26 123.03 1krb h ALA 389 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1krb h ALA 389 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1krb h ALA 389 CO 0.62 -0.18 -0.36 0.39 0.00 0.00 0.00 179.25 179.72 1krb n GLU 390 N -2.82 0.68 -1.96 0.00 4.71 -1.26 -4.93 120.64 115.05 1krb n GLU 390 Ca -0.02 -0.43 -0.36 0.00 -0.01 0.00 0.00 57.16 56.34 1krb n GLU 390 Cb 0.24 -1.49 0.04 0.00 -1.01 0.00 0.00 31.44 29.22 1krb n GLU 390 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1krb s GLU 391 N -2.62 2.89 -0.01 3.49 0.41 -0.31 -4.92 118.70 117.65 1krb s GLU 391 Ca 0.20 1.87 -0.01 0.00 -0.41 0.00 0.00 54.97 56.62 1krb s GLU 391 Cb 0.19 -1.91 -0.00 0.00 -1.78 0.00 0.00 34.13 30.62 1krb s GLU 391 CO 0.57 -1.28 0.03 -0.08 -0.49 0.00 0.00 175.26 174.01 1krb s THR 392 N -1.56 0.02 0.04 3.63 -1.32 -1.26 -5.01 115.64 110.18 1krb s THR 392 Ca 0.78 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 61.13 1krb s THR 392 Cb -0.32 -0.09 0.00 0.00 -1.51 0.00 0.00 72.50 70.59 1krb s THR 392 CO 0.34 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.29 1krb n GLY 393 N 2.83 -1.49 2.86 6.08 0.00 -1.26 -4.44 105.19 109.77 1krb n GLY 393 Ca -0.14 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 1krb n GLY 393 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1krb n ASP 394 N -1.67 6.67 -2.10 1.61 2.03 -1.26 -4.94 116.55 116.90 1krb n ASP 394 Ca -0.00 -3.52 -0.07 0.00 0.52 0.00 0.00 54.79 51.72 1krb n ASP 394 Cb 0.08 -1.21 -0.00 0.00 -0.72 0.00 0.00 41.12 39.27 1krb n ASP 394 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1krb n ASN 395 N 0.78 -1.05 -0.44 1.67 2.04 -1.26 -5.01 115.26 111.99 1krb n ASN 395 Ca 0.34 -2.02 0.07 0.00 -0.44 0.00 0.00 54.58 52.53 1krb n ASN 395 Cb 0.31 1.84 0.18 0.00 -2.53 0.00 0.00 39.78 39.58 1krb n ASN 395 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1krb n ASP 396 N -1.58 2.50 -0.29 0.53 8.00 -0.41 -4.80 116.55 120.51 1krb n ASP 396 Ca -0.02 -3.32 0.10 0.00 0.71 0.00 0.00 54.79 52.26 1krb n ASP 396 Cb 0.34 -0.49 0.26 0.00 -0.02 0.00 0.00 41.12 41.21 1krb n ASP 396 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1krb h ASN 397 N 0.63 0.21 -0.19 -2.24 4.21 -1.91 -0.47 115.58 115.83 1krb h ASN 397 Ca 0.02 0.15 -0.05 0.00 1.21 0.00 0.00 56.30 57.63 1krb h ASN 397 Cb 1.15 0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 38.50 1krb h ASN 397 CO 0.08 -0.01 -0.09 0.15 -1.29 0.00 0.00 177.43 176.27 1krb h PHE 398 N 0.36 0.45 -0.67 1.19 3.57 -1.91 -1.61 116.94 118.32 1krb h PHE 398 Ca 0.50 -0.11 0.03 0.00 3.53 0.00 0.00 57.97 61.92 1krb h PHE 398 Cb 0.91 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 1krb h PHE 398 CO -0.19 0.70 0.44 -0.09 -2.23 0.00 0.00 178.31 176.95 1krb h ARG 399 N 0.08 0.78 -0.57 1.11 2.43 -1.75 0.10 114.38 116.56 1krb h ARG 399 Ca 0.04 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1krb h ARG 399 Cb 0.58 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1krb h ARG 399 CO 0.03 0.51 0.09 0.28 -1.51 0.00 0.00 179.97 179.37 1krb h VAL 400 N 0.80 1.26 -0.55 0.20 2.07 -0.90 -1.11 116.25 118.02 1krb h VAL 400 Ca 0.27 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.72 1krb h VAL 400 Cb 0.08 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1krb h VAL 400 CO -0.08 0.36 -0.00 0.11 0.02 0.00 0.00 177.57 177.98 1krb h LYS 401 N 0.84 0.97 -0.51 1.57 1.57 -0.28 -0.73 116.57 120.00 1krb h LYS 401 Ca 0.17 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1krb h LYS 401 Cb 0.42 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1krb h LYS 401 CO 0.01 0.98 0.23 -0.09 -0.57 0.00 0.00 179.45 180.01 1krb h ARG 402 N 0.85 0.75 0.02 3.15 2.43 -0.81 -2.88 114.38 117.89 1krb h ARG 402 Ca 0.16 -0.12 -0.25 0.00 -0.81 0.00 0.00 59.98 58.96 1krb h ARG 402 Cb 0.54 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1krb h ARG 402 CO 0.03 0.64 -1.01 1.88 -1.51 0.00 0.00 179.97 180.00 1krb h TYR 403 N 0.68 0.77 0.00 2.20 -1.99 -1.09 -3.25 116.97 114.29 1krb h TYR 403 Ca 0.17 -0.43 -0.07 0.00 2.00 0.00 0.00 58.73 60.40 1krb h TYR 403 Cb 0.16 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1krb h TYR 403 CO -0.00 1.26 -0.34 0.97 -0.00 0.00 0.00 178.16 180.05 1krb h ILE 404 N 0.28 1.14 0.00 -2.88 2.10 -1.17 -2.35 117.51 114.64 1krb h ILE 404 Ca -0.11 -1.21 -0.04 0.00 1.08 0.00 0.00 64.86 64.59 1krb h ILE 404 Cb 1.66 1.67 -0.01 0.00 -1.09 0.00 0.00 36.82 39.06 1krb h ILE 404 CO 0.18 0.33 -0.18 0.00 -1.08 0.00 0.00 178.15 177.41 1krb h ALA 405 N 1.66 1.43 0.00 0.18 0.00 -1.54 -2.89 119.26 118.10 1krb h ALA 405 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1krb h ALA 405 Cb 0.64 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1krb h ALA 405 CO 0.04 0.22 -0.03 0.87 0.00 0.00 0.00 179.25 180.36 1krb h LYS 406 N 0.00 0.00 0.00 0.00 1.57 -1.49 -1.75 116.57 114.90 1krb h LYS 406 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1krb h LYS 406 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1krb h LYS 406 CO 0.02 0.03 -0.02 2.48 -0.57 0.00 0.00 179.45 181.39 1krb n TYR 407 N -4.11 0.00 0.00 -1.35 0.18 -1.10 -2.49 117.16 108.29 1krb n TYR 407 Ca -0.03 -0.61 0.00 0.00 1.88 0.00 0.00 57.90 59.14 1krb n TYR 407 Cb 0.11 -0.08 0.00 0.00 -0.38 0.00 0.00 39.34 38.99 1krb n TYR 407 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1krb n THR 408 N -0.74 0.00 -0.17 -3.48 -2.24 -1.11 -0.41 114.28 106.13 1krb n THR 408 Ca 0.05 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.72 1krb n THR 408 Cb 0.40 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1krb n THR 408 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1krb h ILE 409 N 0.00 1.27 -0.61 2.28 6.09 -1.35 -2.87 117.51 122.32 1krb h ILE 409 Ca 0.00 -1.24 -0.02 0.00 -1.37 0.00 0.00 64.86 62.23 1krb h ILE 409 Cb 0.00 1.04 -0.03 0.00 0.47 0.00 0.00 36.82 38.31 1krb h ILE 409 CO 0.00 0.43 0.29 0.78 -3.07 0.00 0.00 178.15 176.58 1krb h ASN 410 N 0.81 0.81 0.08 2.19 2.35 -1.63 0.93 115.58 121.12 1krb h ASN 410 Ca 0.13 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 1krb h ASN 410 Cb 0.66 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1krb h ASN 410 CO 0.05 0.72 -0.21 -0.65 -1.65 0.00 0.00 177.43 175.69 1krb h PRO 411 N 0.84 0.23 -0.38 0.81 0.11 -1.75 -1.74 132.00 130.13 1krb h PRO 411 Ca 0.21 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 66.11 1krb h PRO 411 Cb 0.13 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 1krb h PRO 411 CO -0.03 0.44 -0.32 0.00 -0.21 0.00 0.00 178.00 177.88 1krb h ALA 412 N 1.58 0.55 -0.38 -0.75 0.00 -1.04 -2.55 119.26 116.66 1krb h ALA 412 Ca 0.04 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1krb h ALA 412 Cb 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1krb h ALA 412 CO 0.03 0.61 -0.01 -0.07 0.00 0.00 0.00 179.25 179.81 1krb h LEU 413 N 0.70 0.67 -0.96 0.00 3.38 -0.68 -1.14 115.31 117.29 1krb h LEU 413 Ca 0.07 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.78 1krb h LEU 413 Cb 0.91 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 1krb h LEU 413 CO 0.08 0.82 0.61 0.74 0.09 0.00 0.00 178.44 180.79 1krb h THR 414 N 0.50 1.09 -0.70 0.22 2.02 -1.26 -2.85 112.91 111.92 1krb h THR 414 Ca 0.11 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1krb h THR 414 Cb 0.49 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1krb h THR 414 CO 0.02 0.21 0.00 1.41 0.37 0.00 0.00 175.52 177.53 1krb n HIS 415 N -4.53 1.21 -2.91 3.16 8.25 -0.97 -4.85 115.22 114.59 1krb n HIS 415 Ca 0.14 -0.55 -0.16 0.00 -0.26 0.00 0.00 57.72 56.89 1krb n HIS 415 Cb 0.16 -0.11 0.03 0.00 1.12 0.00 0.00 29.99 31.20 1krb n HIS 415 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1krb n GLY 416 N 1.44 -0.18 0.00 -1.41 0.00 -0.98 -4.74 105.19 99.32 1krb n GLY 416 Ca 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1krb n GLY 416 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1krb n ILE 417 N -4.20 0.30 0.11 -0.61 -5.35 -0.50 -1.85 119.36 107.26 1krb n ILE 417 Ca -0.06 -0.54 0.07 0.00 -0.27 0.00 0.00 62.75 61.94 1krb n ILE 417 Cb 0.58 0.99 0.34 0.00 -1.74 0.00 0.00 39.64 39.81 1krb n ILE 417 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1krb n ALA 418 N -0.15 1.06 0.57 -1.28 0.00 -0.76 -0.59 120.51 119.36 1krb n ALA 418 Ca 0.00 0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.68 1krb n ALA 418 Cb 0.15 -1.19 0.43 0.00 0.00 0.00 0.00 19.45 18.84 1krb n ALA 418 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1krb n HIS 419 N -1.93 0.89 -0.04 0.00 1.44 -1.26 -4.08 115.22 110.23 1krb n HIS 419 Ca -0.01 0.28 -0.06 0.00 -2.01 0.00 0.00 57.72 55.93 1krb n HIS 419 Cb 0.03 -0.96 -0.04 0.00 0.12 0.00 0.00 29.99 29.14 1krb n HIS 419 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1krb n GLU 420 N -2.25 0.53 -2.13 -1.40 -0.58 0.24 -4.82 120.64 110.24 1krb n GLU 420 Ca 0.05 0.05 -0.01 0.00 -0.42 0.00 0.00 57.16 56.82 1krb n GLU 420 Cb 0.38 -1.18 -0.00 0.00 -0.57 0.00 0.00 31.44 30.06 1krb n GLU 420 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1krb n VAL 421 N -2.71 0.00 0.00 2.62 0.24 -0.95 -0.79 118.33 116.73 1krb n VAL 421 Ca -0.16 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 1krb n VAL 421 Cb 0.68 0.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 1krb n VAL 421 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1krb n GLY 422 N 0.53 2.62 3.75 7.63 0.00 -1.26 -4.32 105.19 114.14 1krb n GLY 422 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1krb n GLY 422 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1krb s SER 423 N -0.65 -0.27 -0.92 1.61 1.04 -1.26 -1.93 113.70 111.31 1krb s SER 423 Ca 0.00 -0.44 -0.18 0.00 0.48 0.00 0.00 55.95 55.82 1krb s SER 423 Cb 0.00 0.62 0.15 0.00 0.10 0.00 0.00 66.02 66.88 1krb s SER 423 CO 0.00 -1.12 1.08 -0.63 0.98 0.00 0.00 173.24 173.55 1krb s ILE 424 N -3.64 4.89 0.00 -1.02 1.01 -1.26 -4.91 121.20 116.27 1krb s ILE 424 Ca 0.10 -1.77 -0.01 0.00 0.00 0.00 0.00 60.65 58.97 1krb s ILE 424 Cb -0.04 -4.73 -0.01 0.00 0.01 0.00 0.00 42.46 37.70 1krb s ILE 424 CO 0.02 -1.43 0.01 -1.61 0.00 0.00 0.00 174.94 171.93 1krb s GLU 425 N 2.21 0.16 0.38 2.79 2.02 -1.26 -5.09 118.70 119.92 1krb s GLU 425 Ca 0.31 -0.25 -0.25 0.00 0.02 0.00 0.00 54.97 54.80 1krb s GLU 425 Cb -0.06 0.06 -0.12 0.00 0.10 0.00 0.00 34.13 34.12 1krb s GLU 425 CO -0.09 -0.03 0.97 1.33 0.02 0.00 0.00 175.26 177.46 1krb n VAL 426 N 2.40 2.25 0.00 2.63 0.24 -1.26 -1.87 118.33 122.72 1krb n VAL 426 Ca -0.17 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1krb n VAL 426 Cb 0.58 -1.06 0.00 0.00 -1.47 0.00 0.00 33.84 31.88 1krb n VAL 426 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1krb n GLY 427 N 1.24 2.47 3.86 7.63 0.00 0.31 -4.95 105.19 115.75 1krb n GLY 427 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1krb n GLY 427 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1krb s LYS 428 N -0.32 3.90 0.30 1.61 1.02 -0.78 -4.76 119.74 120.72 1krb s LYS 428 Ca 0.00 0.60 -0.29 0.00 0.02 0.00 0.00 55.97 56.29 1krb s LYS 428 Cb 0.00 -2.40 -0.12 0.00 -0.52 0.00 0.00 37.83 34.79 1krb s LYS 428 CO 0.00 0.05 1.40 -0.11 -0.92 0.00 0.00 175.35 175.77 1krb n LEU 429 N -0.84 3.63 -3.46 3.17 7.94 0.03 -0.43 117.00 127.03 1krb n LEU 429 Ca 0.03 1.18 -0.36 0.00 -1.11 0.00 0.00 56.01 55.75 1krb n LEU 429 Cb 0.54 -1.49 -0.03 0.00 0.53 0.00 0.00 43.42 42.96 1krb n LEU 429 CO 0.44 -0.33 2.56 0.00 -1.11 0.00 0.00 177.39 178.95 1krb n ALA 430 N 1.20 5.02 -3.31 1.96 0.00 0.42 -4.68 120.51 121.11 1krb n ALA 430 Ca 0.07 -3.11 -0.46 0.00 0.00 0.00 0.00 53.44 49.95 1krb n ALA 430 Cb 0.35 -3.38 -0.04 0.00 0.00 0.00 0.00 19.45 16.37 1krb n ALA 430 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1krb s ASP 431 N 3.61 6.35 0.16 0.00 1.01 -1.26 -2.25 116.67 124.28 1krb s ASP 431 Ca 0.52 -2.02 0.09 0.00 0.71 0.00 0.00 52.55 51.85 1krb s ASP 431 Cb 0.14 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 1krb s ASP 431 CO -0.01 -0.79 -0.19 -0.76 0.21 0.00 0.00 175.17 173.63 1krb s LEU 432 N 1.26 2.41 -0.07 1.23 1.43 -0.55 -1.11 118.68 123.28 1krb s LEU 432 Ca 0.07 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.36 1krb s LEU 432 Cb -0.24 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.14 1krb s LEU 432 CO -0.00 -0.01 -0.10 -0.69 0.23 0.00 0.00 176.35 175.78 1krb s VAL 433 N -1.87 1.04 -0.19 -1.59 1.01 -0.31 -0.34 120.40 118.14 1krb s VAL 433 Ca 0.14 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 1krb s VAL 433 Cb -0.07 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1krb s VAL 433 CO 0.06 0.34 0.07 -0.69 0.00 0.00 0.00 175.10 174.88 1krb s VAL 434 N 0.87 4.78 0.13 2.92 1.01 0.13 -1.79 120.40 128.45 1krb s VAL 434 Ca -0.11 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1krb s VAL 434 Cb -0.15 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1krb s VAL 434 CO 0.01 0.44 -0.20 0.26 0.00 0.00 0.00 175.10 175.61 1krb s TRP 435 N 0.56 1.79 -0.13 5.22 0.52 0.39 -0.03 118.94 127.26 1krb s TRP 435 Ca 0.04 -0.44 -0.12 0.00 0.02 0.00 0.00 56.10 55.60 1krb s TRP 435 Cb -0.13 -0.94 -0.05 0.00 -1.15 0.00 0.00 33.47 31.20 1krb s TRP 435 CO 0.01 0.25 0.25 0.45 0.02 0.00 0.00 176.95 177.93 1krb s SER 436 N -2.22 6.46 0.45 2.95 0.15 -1.26 -0.34 113.70 119.89 1krb s SER 436 Ca 0.10 0.54 0.29 0.00 0.70 0.00 0.00 55.95 57.58 1krb s SER 436 Cb -0.08 -2.15 1.36 0.00 -1.71 0.00 0.00 66.02 63.44 1krb s SER 436 CO 0.05 0.24 1.71 -0.65 1.20 0.00 0.00 173.24 175.78 1krb h PRO 437 N 5.86 0.16 0.00 5.44 0.11 -1.92 -0.15 132.00 141.50 1krb h PRO 437 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1krb h PRO 437 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1krb h PRO 437 CO 0.68 0.11 0.00 0.00 -0.21 0.00 0.00 178.00 178.58 1krb h ALA 438 N 1.52 1.00 0.00 -0.75 0.00 -1.88 -0.96 119.26 118.18 1krb h ALA 438 Ca 0.70 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.61 1krb h ALA 438 Cb 2.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.03 1krb h ALA 438 CO -0.26 0.00 -0.05 1.19 0.00 0.00 0.00 179.25 180.13 1krb n PHE 439 N -2.62 0.00 -1.67 0.00 3.01 -0.13 -4.57 117.46 111.48 1krb n PHE 439 Ca 0.02 -0.70 -0.47 0.00 1.01 0.00 0.00 57.45 57.31 1krb n PHE 439 Cb 0.32 -0.10 -0.04 0.00 -0.01 0.00 0.00 39.48 39.65 1krb n PHE 439 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1krb n PHE 440 N -0.94 2.22 -0.75 1.38 7.35 -0.85 -1.21 117.46 124.66 1krb n PHE 440 Ca 0.09 0.25 0.00 0.00 -0.76 0.00 0.00 57.45 57.03 1krb n PHE 440 Cb 0.52 -2.55 0.00 0.00 0.35 0.00 0.00 39.48 37.80 1krb n PHE 440 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1krb n GLY 441 N 3.55 1.29 0.86 7.13 0.00 -1.26 -4.58 105.19 112.18 1krb n GLY 441 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 1krb n GLY 441 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1krb n VAL 442 N -2.00 0.91 -3.66 1.61 0.31 -0.35 -3.55 118.33 111.61 1krb n VAL 442 Ca 0.00 0.20 -0.24 0.00 -0.01 0.00 0.00 64.34 64.29 1krb n VAL 442 Cb 0.00 -1.67 -0.17 0.00 -0.91 0.00 0.00 33.84 31.09 1krb n VAL 442 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1krb s LYS 443 N -2.14 0.16 0.51 5.55 1.02 -0.84 -4.89 119.74 119.12 1krb s LYS 443 Ca -0.06 0.03 -0.20 0.00 0.02 0.00 0.00 55.97 55.76 1krb s LYS 443 Cb 0.01 -1.40 -0.07 0.00 -0.52 0.00 0.00 37.83 35.86 1krb s LYS 443 CO 0.08 -0.53 1.06 -2.14 -0.92 0.00 0.00 175.35 172.91 1krb s PRO 444 N 2.09 3.63 -0.01 -1.68 0.02 -1.26 -4.67 135.00 133.12 1krb s PRO 444 Ca 0.03 1.41 0.01 0.00 0.02 0.00 0.00 61.00 62.46 1krb s PRO 444 Cb -0.15 -2.06 -0.26 0.00 0.02 0.00 0.00 34.50 32.05 1krb s PRO 444 CO -0.07 -0.58 0.78 0.00 -0.33 0.00 0.00 177.00 176.80 1krb h ALA 445 N 1.34 0.41 -2.52 -1.55 0.00 -0.80 -3.41 119.26 112.73 1krb h ALA 445 Ca -0.49 -1.21 -0.09 0.00 0.00 0.00 0.00 54.91 53.11 1krb h ALA 445 Cb 1.23 0.35 -0.24 0.00 0.00 0.00 0.00 17.79 19.13 1krb h ALA 445 CO 0.58 1.27 -0.17 0.99 0.00 0.00 0.00 179.25 181.92 1krb s THR 446 N -2.61 -0.01 -0.26 0.00 2.01 -1.01 -4.21 115.64 109.55 1krb s THR 446 Ca -0.09 0.03 0.03 0.00 0.31 0.00 0.00 61.69 61.97 1krb s THR 446 Cb 0.07 -0.70 0.06 0.00 0.01 0.00 0.00 72.50 71.95 1krb s THR 446 CO 0.83 0.01 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.98 1krb s VAL 447 N 0.76 2.16 -0.22 3.82 1.01 -0.91 -0.69 120.40 126.33 1krb s VAL 447 Ca -0.04 -1.67 -0.12 0.00 0.00 0.00 0.00 61.98 60.16 1krb s VAL 447 Cb -0.05 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1krb s VAL 447 CO -0.06 -0.06 0.21 -0.63 0.00 0.00 0.00 175.10 174.56 1krb s ILE 448 N 1.10 5.33 -0.22 2.22 1.01 0.54 -0.84 121.20 130.34 1krb s ILE 448 Ca -0.08 0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.88 1krb s ILE 448 Cb -0.20 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.75 1krb s ILE 448 CO -0.05 0.34 -0.12 -0.54 0.00 0.00 0.00 174.94 174.57 1krb s LYS 449 N 0.98 2.79 -1.50 2.79 1.02 0.95 -1.48 119.74 125.28 1krb s LYS 449 Ca 0.10 -0.99 -0.04 0.00 0.02 0.00 0.00 55.97 55.07 1krb s LYS 449 Cb -0.13 -2.81 0.01 0.00 -0.52 0.00 0.00 37.83 34.38 1krb s LYS 449 CO 0.04 -0.36 0.37 0.41 -0.92 0.00 0.00 175.35 174.89 1krb n GLY 450 N 4.60 -0.51 1.42 -3.33 0.00 -0.95 -1.93 105.19 104.49 1krb n GLY 450 Ca -0.18 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1krb n GLY 450 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1krb n GLY 451 N -1.25 0.75 2.98 -0.02 0.00 -1.08 -4.25 105.19 102.32 1krb n GLY 451 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 1krb n GLY 451 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1krb s MET 452 N -0.44 0.89 0.12 1.61 1.00 -0.81 -4.95 119.30 116.72 1krb s MET 452 Ca 0.00 -0.27 -0.31 0.00 0.00 0.00 0.00 55.69 55.11 1krb s MET 452 Cb 0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 34.83 33.90 1krb s MET 452 CO 0.00 0.09 1.68 0.42 0.00 0.00 0.00 175.02 177.21 1krb s ILE 453 N 0.24 2.69 -0.14 2.53 1.01 -1.26 -0.04 121.20 126.22 1krb s ILE 453 Ca -0.03 0.32 0.14 0.00 0.00 0.00 0.00 60.65 61.08 1krb s ILE 453 Cb -0.08 -3.21 -0.20 0.00 0.01 0.00 0.00 42.46 38.98 1krb s ILE 453 CO 0.00 0.01 0.08 0.00 0.00 0.00 0.00 174.94 175.03 1krb n ALA 454 N 4.98 1.69 -3.48 9.38 0.00 -0.02 -1.70 120.51 131.37 1krb n ALA 454 Ca 0.16 -0.98 -0.15 0.00 0.00 0.00 0.00 53.44 52.47 1krb n ALA 454 Cb 0.39 -0.12 -0.07 0.00 0.00 0.00 0.00 19.45 19.65 1krb n ALA 454 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1krb s ILE 455 N -2.43 0.01 0.15 0.00 2.07 -1.21 -0.85 121.20 118.93 1krb s ILE 455 Ca -0.08 -0.06 -0.24 0.00 -1.41 0.00 0.00 60.65 58.86 1krb s ILE 455 Cb 0.05 -0.87 0.07 0.00 0.13 0.00 0.00 42.46 41.84 1krb s ILE 455 CO 0.64 -0.04 0.73 0.00 -1.91 0.00 0.00 174.94 174.36 1krb s ALA 456 N -0.40 -1.58 0.27 1.50 0.00 -1.17 -2.14 121.76 118.25 1krb s ALA 456 Ca -0.05 0.41 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 1krb s ALA 456 Cb -0.03 0.75 -0.09 0.00 0.00 0.00 0.00 23.12 23.74 1krb s ALA 456 CO 0.04 -0.83 1.23 -2.14 0.00 0.00 0.00 175.76 174.06 1krb s PRO 457 N -3.59 4.47 -0.03 0.00 0.02 -1.26 -2.05 135.00 132.56 1krb s PRO 457 Ca 0.05 2.01 -0.01 0.00 0.02 0.00 0.00 61.00 63.07 1krb s PRO 457 Cb -0.02 -3.15 0.03 0.00 0.02 0.00 0.00 34.50 31.37 1krb s PRO 457 CO -0.07 -0.06 0.06 1.41 -0.33 0.00 0.00 177.00 178.02 1krb s MET 458 N -1.13 0.01 0.00 5.54 1.75 -0.34 -4.90 119.30 120.23 1krb s MET 458 Ca 0.50 0.22 0.00 0.00 -1.25 0.00 0.00 55.69 55.15 1krb s MET 458 Cb -0.36 -0.18 0.00 0.00 2.84 0.00 0.00 34.83 37.13 1krb s MET 458 CO 0.44 -0.14 0.00 0.41 -0.65 0.00 0.00 175.02 175.08 1krb n GLY 459 N 3.98 0.25 3.52 2.11 0.00 -0.71 -2.48 105.19 111.86 1krb n GLY 459 Ca -0.25 -1.85 -0.63 0.00 0.00 0.00 0.00 46.02 43.29 1krb n GLY 459 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1krb n ASP 460 N -2.16 1.00 0.17 1.61 -0.08 -0.48 -4.83 116.55 111.79 1krb n ASP 460 Ca 0.00 1.12 0.02 0.00 -1.51 0.00 0.00 54.79 54.42 1krb n ASP 460 Cb 0.00 -0.84 0.31 0.00 2.34 0.00 0.00 41.12 42.94 1krb n ASP 460 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1krb h ILE 461 N 4.50 1.30 -0.13 5.18 1.08 -1.92 -2.77 117.51 124.75 1krb h ILE 461 Ca -0.42 -1.48 0.00 0.00 -0.39 0.00 0.00 64.86 62.56 1krb h ILE 461 Cb 1.30 1.80 0.00 0.00 -3.07 0.00 0.00 36.82 36.85 1krb h ILE 461 CO 0.89 0.42 0.00 -3.20 -0.69 0.00 0.00 178.15 175.57 1krb n ASN 462 N -4.01 2.11 -4.74 1.72 5.15 -1.26 -4.96 115.26 109.26 1krb n ASN 462 Ca -0.02 -1.73 -0.30 0.00 -0.60 0.00 0.00 54.58 51.93 1krb n ASN 462 Cb 0.46 -0.08 0.12 0.00 -0.53 0.00 0.00 39.78 39.75 1krb n ASN 462 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1krb s ALA 463 N -1.84 1.80 -1.12 5.20 0.00 -1.05 -4.94 121.76 119.81 1krb s ALA 463 Ca 0.34 0.03 0.26 0.00 0.00 0.00 0.00 51.96 52.60 1krb s ALA 463 Cb 0.20 -3.21 1.18 0.00 0.00 0.00 0.00 23.12 21.28 1krb s ALA 463 CO 0.30 -2.14 1.86 -1.13 0.00 0.00 0.00 175.76 174.65 1krb n SER 464 N -3.75 0.00 -3.78 0.00 3.41 -1.26 -4.81 113.62 103.43 1krb n SER 464 Ca 0.08 0.33 -0.10 0.00 -0.26 0.00 0.00 58.87 58.92 1krb n SER 464 Cb 0.55 -0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 64.01 1krb n SER 464 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1krb s ILE 465 N -2.88 0.05 -1.78 -1.33 -4.36 -1.26 -5.06 121.20 104.57 1krb s ILE 465 Ca 0.16 -0.92 0.28 0.00 -0.26 0.00 0.00 60.65 59.91 1krb s ILE 465 Cb 0.17 -1.56 0.68 0.00 1.25 0.00 0.00 42.46 43.01 1krb s ILE 465 CO 0.46 -0.23 2.00 -0.81 0.24 0.00 0.00 174.94 176.60 1krb n PRO 466 N -0.27 0.70 0.04 0.37 -0.04 -1.26 -4.20 135.00 130.34 1krb n PRO 466 Ca -0.11 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.35 1krb n PRO 466 Cb 0.63 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.51 1krb n PRO 466 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1krb h THR 467 N 0.00 0.64 -4.06 0.52 1.35 -1.92 -1.88 112.91 107.56 1krb h THR 467 Ca 0.00 -2.18 -0.56 0.00 -0.55 0.00 0.00 66.41 63.12 1krb h THR 467 Cb 0.10 2.17 0.16 0.00 -1.73 0.00 0.00 68.15 68.85 1krb h THR 467 CO 0.00 0.37 0.44 -2.65 -0.25 0.00 0.00 175.52 173.43 1krb n PRO 468 N -2.97 0.93 -1.65 4.72 -0.02 -1.26 -4.78 135.00 129.97 1krb n PRO 468 Ca -0.09 0.38 -0.32 0.00 -2.02 0.00 0.00 63.50 61.45 1krb n PRO 468 Cb 0.86 -2.48 0.05 0.00 -0.02 0.00 0.00 33.50 31.92 1krb n PRO 468 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1krb s GLN 469 N -3.43 2.73 -0.03 -0.52 -1.52 -1.26 -1.38 119.66 114.26 1krb s GLN 469 Ca 0.81 1.29 -0.25 0.00 -1.95 0.00 0.00 55.36 55.26 1krb s GLN 469 Cb -0.37 -1.95 -0.04 0.00 -0.22 0.00 0.00 33.01 30.43 1krb s GLN 469 CO 0.43 -1.29 0.76 -1.25 -0.25 0.00 0.00 175.29 173.68 1krb s PRO 470 N -4.35 4.47 -0.38 2.91 0.04 -1.26 -4.13 135.00 132.29 1krb s PRO 470 Ca 0.65 1.01 -0.15 0.00 0.04 0.00 0.00 61.00 62.54 1krb s PRO 470 Cb -0.19 -3.42 0.01 0.00 0.04 0.00 0.00 34.50 30.94 1krb s PRO 470 CO 0.45 0.11 0.31 0.08 0.04 0.00 0.00 177.00 178.00 1krb s VAL 471 N 0.58 5.23 0.09 -0.36 1.01 -1.26 -3.80 120.40 121.89 1krb s VAL 471 Ca 0.40 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 1krb s VAL 471 Cb -0.19 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1krb s VAL 471 CO 0.21 -0.22 0.09 -1.38 0.00 0.00 0.00 175.10 173.80 1krb s HIS 472 N 1.79 0.46 0.05 5.22 -3.43 -1.04 -4.83 115.29 113.52 1krb s HIS 472 Ca 0.07 -0.92 -0.31 0.00 -0.80 0.00 0.00 55.06 53.10 1krb s HIS 472 Cb -0.18 -0.27 -0.07 0.00 -1.43 0.00 0.00 32.58 30.63 1krb s HIS 472 CO 0.11 -0.49 1.53 0.71 -2.00 0.00 0.00 174.74 174.59 1krb s TYR 473 N -3.93 2.70 0.04 0.38 1.51 -1.26 -1.20 117.35 115.58 1krb s TYR 473 Ca 0.11 0.59 0.04 0.00 -1.01 0.00 0.00 57.07 56.79 1krb s TYR 473 Cb 0.06 -3.82 -0.02 0.00 -0.11 0.00 0.00 41.96 38.07 1krb s TYR 473 CO -0.07 -3.17 -0.13 1.03 -1.11 0.00 0.00 175.55 172.11 1krb s ARG 474 N 2.31 0.84 0.33 -0.62 0.52 -0.87 -4.93 118.95 116.53 1krb s ARG 474 Ca 0.69 -0.72 -0.29 0.00 -0.52 0.00 0.00 55.73 54.90 1krb s ARG 474 Cb -0.37 -0.81 -0.10 0.00 0.52 0.00 0.00 34.95 34.19 1krb s ARG 474 CO 0.30 0.20 1.36 -2.14 0.02 0.00 0.00 175.30 175.04 1krb s PRO 475 N -1.13 4.29 0.29 3.54 0.02 -1.26 -3.02 135.00 137.73 1krb s PRO 475 Ca -0.00 2.31 0.02 0.00 0.02 0.00 0.00 61.00 63.35 1krb s PRO 475 Cb -0.08 -3.05 0.02 0.00 0.02 0.00 0.00 34.50 31.42 1krb s PRO 475 CO 0.01 -0.29 0.20 -1.33 -0.33 0.00 0.00 177.00 175.26 1krb n MET 476 N 0.90 1.08 -0.11 5.54 2.81 -0.03 -4.95 117.12 122.36 1krb n MET 476 Ca 0.01 -1.85 0.18 0.00 -1.81 0.00 0.00 57.70 54.23 1krb n MET 476 Cb 0.41 0.23 0.58 0.00 -0.71 0.00 0.00 33.22 33.72 1krb n MET 476 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 1krb h PHE 477 N 0.64 0.30 0.00 2.03 0.04 -1.85 -0.80 116.94 117.30 1krb h PHE 477 Ca -0.19 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1krb h PHE 477 Cb 0.68 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1krb h PHE 477 CO 0.00 0.11 0.00 0.41 -0.60 0.00 0.00 178.31 178.23 1krb n GLY 478 N -1.57 -0.72 0.53 -1.45 0.00 -0.69 -1.84 105.19 99.46 1krb n GLY 478 Ca 0.13 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.14 1krb n GLY 478 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krb n ALA 479 N -1.29 2.21 -2.73 4.61 0.00 -0.31 -3.88 120.51 119.13 1krb n ALA 479 Ca 0.06 -1.03 -0.37 0.00 0.00 0.00 0.00 53.44 52.11 1krb n ALA 479 Cb 0.10 -0.37 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 1krb n ALA 479 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1krb s LEU 480 N -0.97 4.42 0.00 0.00 1.43 -0.76 -4.79 118.68 118.00 1krb s LEU 480 Ca 0.19 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 1krb s LEU 480 Cb 0.10 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.98 1krb s LEU 480 CO 0.13 0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.68 1krb n GLY 481 N 1.79 0.00 0.21 -3.19 0.00 -1.26 -1.13 105.19 101.61 1krb n GLY 481 Ca -0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1krb n GLY 481 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1krb h SER 482 N 0.00 0.00 -0.72 1.61 0.02 -1.96 -2.81 113.55 109.69 1krb h SER 482 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1krb h SER 482 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1krb h SER 482 CO 0.00 0.29 0.22 0.00 -1.14 0.00 0.00 176.83 176.19 1krb h ALA 483 N 1.71 0.95 -0.30 3.77 0.00 -1.52 -2.21 119.26 121.66 1krb h ALA 483 Ca -0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1krb h ALA 483 Cb 0.62 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1krb h ALA 483 CO 0.04 0.63 0.08 -0.09 0.00 0.00 0.00 179.25 179.91 1krb h ARG 484 N 1.07 0.47 -0.96 0.00 2.43 -0.88 -1.99 114.38 114.52 1krb h ARG 484 Ca 0.23 -0.11 0.13 0.00 -0.81 0.00 0.00 59.98 59.42 1krb h ARG 484 Cb 0.32 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.72 1krb h ARG 484 CO -0.01 0.54 0.61 0.45 -1.51 0.00 0.00 179.97 180.05 1krb h HIS 485 N 0.32 1.02 0.00 2.20 3.86 -1.29 -0.02 115.15 121.23 1krb h HIS 485 Ca 0.09 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.27 1krb h HIS 485 Cb 0.28 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1krb h HIS 485 CO 0.01 0.39 -0.31 1.25 0.86 0.00 0.00 177.93 180.13 1krb h HIS 486 N 0.87 0.00 -0.25 2.45 -0.00 -1.03 -2.95 115.15 114.24 1krb h HIS 486 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.85 1krb h HIS 486 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.00 1krb h HIS 486 CO -0.00 0.31 0.00 0.00 -0.00 0.00 0.00 177.93 178.23 1krb s ARG 488 N -1.52 1.46 -0.00 0.00 1.70 -0.76 -3.54 118.95 116.28 1krb s ARG 488 Ca 0.32 -1.68 0.07 0.00 -0.47 0.00 0.00 55.73 53.97 1krb s ARG 488 Cb 0.20 -1.26 -0.02 0.00 -0.57 0.00 0.00 34.95 33.30 1krb s ARG 488 CO 0.28 0.18 -0.23 -0.51 -1.08 0.00 0.00 175.30 173.94 1krb s LEU 489 N -3.39 2.07 -0.26 -1.89 1.43 -1.26 -2.77 118.68 112.62 1krb s LEU 489 Ca 0.26 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.87 1krb s LEU 489 Cb -0.00 -1.14 0.01 0.00 0.03 0.00 0.00 46.19 45.08 1krb s LEU 489 CO 0.10 0.26 0.00 -0.89 0.23 0.00 0.00 176.35 176.05 1krb s THR 490 N -0.59 3.50 -0.17 5.49 2.01 0.02 -1.98 115.64 123.92 1krb s THR 490 Ca 0.09 -0.69 -0.26 0.00 0.31 0.00 0.00 61.69 61.14 1krb s THR 490 Cb -0.09 -2.72 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 1krb s THR 490 CO -0.00 0.24 0.87 -0.36 -0.69 0.00 0.00 174.62 174.68 1krb s PHE 491 N 1.45 3.42 0.43 4.92 0.08 -0.33 -1.71 117.98 126.26 1krb s PHE 491 Ca 0.03 1.32 0.07 0.00 0.12 0.00 0.00 56.93 58.47 1krb s PHE 491 Cb -0.16 -3.06 -0.03 0.00 -0.57 0.00 0.00 43.02 39.20 1krb s PHE 491 CO -0.01 -0.26 0.27 -0.51 -0.10 0.00 0.00 175.22 174.60 1krb s LEU 492 N 2.23 3.12 0.37 -0.37 1.43 0.36 -4.54 118.68 121.29 1krb s LEU 492 Ca 0.40 -1.02 -0.06 0.00 -1.03 0.00 0.00 54.13 52.42 1krb s LEU 492 Cb -0.17 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 1krb s LEU 492 CO 0.12 -0.66 0.68 -0.94 0.23 0.00 0.00 176.35 175.78 1krb s SER 493 N -4.02 6.42 0.38 2.29 1.04 -1.24 -1.98 113.70 116.58 1krb s SER 493 Ca 0.41 0.88 0.09 0.00 0.48 0.00 0.00 55.95 57.81 1krb s SER 493 Cb 0.01 -2.22 0.83 0.00 0.10 0.00 0.00 66.02 64.74 1krb s SER 493 CO 0.23 -0.36 1.93 1.56 0.98 0.00 0.00 173.24 177.59 1krb h GLN 494 N 1.15 0.64 -0.20 4.02 4.20 -1.84 -1.11 115.11 121.97 1krb h GLN 494 Ca -0.48 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.15 1krb h GLN 494 Cb 1.19 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1krb h GLN 494 CO 0.64 0.42 -0.08 0.00 -0.67 0.00 0.00 178.83 179.14 1krb h ALA 495 N 1.62 0.28 -0.65 3.87 0.00 -1.88 -1.57 119.26 120.93 1krb h ALA 495 Ca 0.35 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1krb h ALA 495 Cb 0.48 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1krb h ALA 495 CO -0.13 0.09 0.24 0.00 0.00 0.00 0.00 179.25 179.46 1krb h ALA 496 N 0.71 1.20 0.03 0.00 0.00 -1.59 0.39 119.26 120.00 1krb h ALA 496 Ca 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1krb h ALA 496 Cb 0.55 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1krb h ALA 496 CO 0.03 0.57 -0.01 0.00 0.00 0.00 0.00 179.25 179.84 1krb h ALA 497 N 1.32 -0.04 -0.80 0.00 0.00 -1.11 -2.08 119.26 116.54 1krb h ALA 497 Ca 0.22 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1krb h ALA 497 Cb 0.21 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1krb h ALA 497 CO -0.02 -0.45 0.49 0.00 0.00 0.00 0.00 179.25 179.27 1krb h ALA 498 N 0.79 1.09 0.00 0.00 0.00 -0.81 -1.61 119.26 118.72 1krb h ALA 498 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1krb h ALA 498 Cb 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1krb h ALA 498 CO 0.01 0.24 0.00 0.09 0.00 0.00 0.00 179.25 179.59 1krb n ASN 499 N -4.65 0.00 -0.42 0.00 3.02 0.08 -4.88 115.26 108.42 1krb n ASN 499 Ca 0.11 0.46 -0.03 0.00 -0.03 0.00 0.00 54.58 55.09 1krb n ASN 499 Cb 0.15 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 1krb n ASN 499 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1krb n GLY 500 N -0.36 0.40 0.31 7.41 0.00 -0.61 -4.96 105.19 107.39 1krb n GLY 500 Ca 0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 46.02 45.30 1krb n GLY 500 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1krb h VAL 501 N -0.08 1.11 -0.88 1.61 2.07 -1.58 -1.10 116.25 117.40 1krb h VAL 501 Ca -0.06 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1krb h VAL 501 Cb 1.04 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1krb h VAL 501 CO 0.07 0.18 0.58 0.00 0.02 0.00 0.00 177.57 178.42 1krb h ALA 502 N 1.35 1.14 -0.22 1.67 0.00 -1.89 -0.19 119.26 121.12 1krb h ALA 502 Ca 0.33 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 1krb h ALA 502 Cb 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1krb h ALA 502 CO -0.13 0.48 -0.43 0.93 0.00 0.00 0.00 179.25 180.11 1krb h GLU 503 N 1.16 0.67 -0.33 0.00 3.07 -1.77 0.43 114.58 117.80 1krb h GLU 503 Ca 0.34 -0.43 -0.04 0.00 -0.50 0.00 0.00 59.36 58.72 1krb h GLU 503 Cb -0.08 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1krb h GLU 503 CO -0.09 1.05 0.04 -0.09 -1.40 0.00 0.00 179.01 178.52 1krb h ARG 504 N 0.37 0.56 0.00 2.33 2.43 -0.90 -2.75 114.38 116.42 1krb h ARG 504 Ca 0.01 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1krb h ARG 504 Cb 1.03 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1krb h ARG 504 CO 0.10 0.66 -0.09 1.28 -1.51 0.00 0.00 179.97 180.41 1krb n LEU 505 N -4.57 0.49 -3.10 3.80 4.77 -0.11 -4.94 117.00 113.33 1krb n LEU 505 Ca -0.02 0.48 -0.17 0.00 -0.03 0.00 0.00 56.01 56.28 1krb n LEU 505 Cb 0.24 -0.37 0.07 0.00 -2.33 0.00 0.00 43.42 41.03 1krb n LEU 505 CO 0.39 -0.08 0.14 -3.20 -1.33 0.00 0.00 177.39 173.30 1krb n ASN 506 N -1.92 -3.43 -4.77 -1.43 4.05 -0.30 -4.95 115.26 102.51 1krb n ASN 506 Ca 0.06 -0.50 -0.41 0.00 0.45 0.00 0.00 54.58 54.18 1krb n ASN 506 Cb 0.39 -4.42 -0.02 0.00 1.23 0.00 0.00 39.78 36.96 1krb n ASN 506 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1krb s LEU 507 N -5.97 4.40 0.02 1.20 1.02 -0.01 -4.95 118.68 114.39 1krb s LEU 507 Ca 0.19 2.76 0.22 0.00 0.02 0.00 0.00 54.13 57.31 1krb s LEU 507 Cb -0.08 -3.65 -0.26 0.00 0.02 0.00 0.00 46.19 42.21 1krb s LEU 507 CO 0.62 -0.61 0.60 0.54 0.02 0.00 0.00 176.35 177.52 1krb n ARG 508 N 0.84 0.65 -1.89 1.70 3.00 -1.26 -4.90 116.66 114.79 1krb n ARG 508 Ca 0.01 -0.12 -0.29 0.00 -0.01 0.00 0.00 57.85 57.43 1krb n ARG 508 Cb 0.41 -1.59 0.09 0.00 0.00 0.00 0.00 32.46 31.37 1krb n ARG 508 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1krb s SER 509 N -4.74 4.49 0.37 0.55 0.01 -1.26 -4.72 113.70 108.40 1krb s SER 509 Ca -0.06 0.78 -0.26 0.00 1.31 0.00 0.00 55.95 57.72 1krb s SER 509 Cb 0.13 -1.28 -0.09 0.00 0.21 0.00 0.00 66.02 64.99 1krb s SER 509 CO 0.88 -1.92 1.18 0.00 0.41 0.00 0.00 173.24 173.79 1krb s ALA 510 N -3.57 3.25 -0.12 1.44 0.00 -1.11 -4.85 121.76 116.80 1krb s ALA 510 Ca 0.62 1.00 -0.04 0.00 0.00 0.00 0.00 51.96 53.54 1krb s ALA 510 Cb -0.11 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1krb s ALA 510 CO 0.49 -0.48 0.04 0.42 0.00 0.00 0.00 175.76 176.23 1krb s ILE 511 N -1.33 4.62 0.10 0.00 -1.09 -1.26 -0.80 121.20 121.43 1krb s ILE 511 Ca 0.54 -0.12 0.07 0.00 -2.23 0.00 0.00 60.65 58.91 1krb s ILE 511 Cb -0.32 -2.99 -0.03 0.00 -1.58 0.00 0.00 42.46 37.53 1krb s ILE 511 CO 0.41 0.57 -0.18 0.00 -1.23 0.00 0.00 174.94 174.51 1krb s ALA 512 N -0.53 1.58 -0.06 9.38 0.00 -0.69 -4.90 121.76 126.55 1krb s ALA 512 Ca 0.10 -1.19 0.05 0.00 0.00 0.00 0.00 51.96 50.92 1krb s ALA 512 Cb -0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1krb s ALA 512 CO 0.02 0.26 -0.20 0.08 0.00 0.00 0.00 175.76 175.92 1krb s VAL 513 N -1.35 2.52 0.24 0.00 1.01 -1.26 -0.48 120.40 121.07 1krb s VAL 513 Ca 0.05 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 60.88 1krb s VAL 513 Cb -0.09 -1.95 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 1krb s VAL 513 CO 0.04 0.57 0.81 0.68 0.00 0.00 0.00 175.10 177.20 1krb s VAL 514 N -0.37 4.39 -0.04 2.92 -7.23 -0.84 -4.92 120.40 114.30 1krb s VAL 514 Ca 0.03 1.59 -0.29 0.00 -1.81 0.00 0.00 61.98 61.50 1krb s VAL 514 Cb -0.12 -4.00 0.06 0.00 0.56 0.00 0.00 36.38 32.88 1krb s VAL 514 CO 0.02 0.29 0.64 -1.59 -0.31 0.00 0.00 175.10 174.15 1krb s LYS 515 N -1.74 1.02 0.00 4.82 -2.85 -0.77 -4.40 119.74 115.83 1krb s LYS 515 Ca 0.43 0.20 0.00 0.00 -1.00 0.00 0.00 55.97 55.60 1krb s LYS 515 Cb -0.19 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 1krb s LYS 515 CO 0.24 -0.32 0.00 0.41 0.10 0.00 0.00 175.35 175.78 1krb n GLY 516 N 0.92 0.75 0.09 0.59 0.00 -1.26 -4.44 105.19 101.84 1krb n GLY 516 Ca -0.19 -0.68 -0.03 0.00 0.00 0.00 0.00 46.02 45.11 1krb n GLY 516 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krb h ARG 518 N 0.00 0.00 0.00 0.00 2.47 -1.88 -3.37 114.38 111.60 1krb h ARG 518 Ca -0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1krb h ARG 518 Cb 1.63 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.95 1krb h ARG 518 CO 0.10 0.28 -0.69 0.25 0.56 0.00 0.00 179.97 180.47 1krb n THR 519 N -3.04 0.05 -2.56 2.04 -2.24 -1.25 -4.59 114.28 102.70 1krb n THR 519 Ca -0.01 -0.06 -0.37 0.00 -2.27 0.00 0.00 64.05 61.34 1krb n THR 519 Cb 0.69 0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 69.24 1krb n THR 519 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1krb s VAL 520 N -3.04 3.72 0.27 2.28 -7.23 -1.25 -5.05 120.40 110.11 1krb s VAL 520 Ca 0.09 1.42 0.04 0.00 -1.81 0.00 0.00 61.98 61.71 1krb s VAL 520 Cb 0.16 -3.78 -0.03 0.00 0.56 0.00 0.00 36.38 33.29 1krb s VAL 520 CO 0.75 0.10 0.21 0.00 -0.31 0.00 0.00 175.10 175.85 1krb s GLN 521 N -2.21 1.51 0.26 4.82 -2.07 -1.26 -4.85 119.66 115.86 1krb s GLN 521 Ca 0.54 -1.85 -0.01 0.00 -1.82 0.00 0.00 55.36 52.22 1krb s GLN 521 Cb -0.24 0.28 0.56 0.00 -1.09 0.00 0.00 33.01 32.53 1krb s GLN 521 CO 0.30 -0.53 1.72 -0.22 -1.32 0.00 0.00 175.29 175.25 1krb h LYS 522 N 2.35 0.45 -0.15 9.60 1.63 -0.87 -1.03 116.57 128.55 1krb h LYS 522 Ca -0.30 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.51 1krb h LYS 522 Cb 1.24 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 1krb h LYS 522 CO 0.44 0.30 0.24 0.00 -3.45 0.00 0.00 179.45 176.98 1krb h ALA 523 N 1.60 1.63 -0.00 5.00 0.00 -1.82 -0.88 119.26 124.79 1krb h ALA 523 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1krb h ALA 523 Cb 0.77 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1krb h ALA 523 CO -0.44 -0.31 -0.16 -0.25 0.00 0.00 0.00 179.25 178.09 1krb n ASP 524 N -3.49 0.31 -4.60 0.00 8.00 -0.39 -4.81 116.55 111.57 1krb n ASP 524 Ca 0.01 -0.14 -0.43 0.00 0.71 0.00 0.00 54.79 54.94 1krb n ASP 524 Cb 0.34 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.28 1krb n ASP 524 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1krb s MET 525 N -2.76 3.57 -0.12 -1.24 -1.94 -0.34 -4.93 119.30 111.54 1krb s MET 525 Ca 0.20 1.01 -0.35 0.00 -1.71 0.00 0.00 55.69 54.84 1krb s MET 525 Cb 0.19 -4.03 -0.12 0.00 2.01 0.00 0.00 34.83 32.87 1krb s MET 525 CO 0.54 -1.57 1.87 0.28 -0.01 0.00 0.00 175.02 176.14 1krb n VAL 526 N 7.06 0.55 -0.89 -6.03 0.31 -1.26 -1.49 118.33 116.57 1krb n VAL 526 Ca 0.17 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1krb n VAL 526 Cb 0.48 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 1krb n VAL 526 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1krb n HIS 527 N 6.59 0.00 -3.14 3.52 8.25 -1.26 -4.81 115.22 124.36 1krb n HIS 527 Ca 0.23 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.50 1krb n HIS 527 Cb 0.27 -1.77 -0.04 0.00 1.12 0.00 0.00 29.99 29.58 1krb n HIS 527 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1krb n ASN 528 N -0.72 0.19 -0.11 0.41 3.02 -0.56 -4.68 115.26 112.81 1krb n ASN 528 Ca 0.00 -2.92 0.05 0.00 -0.03 0.00 0.00 54.58 51.68 1krb n ASN 528 Cb 0.36 -0.37 0.08 0.00 -0.61 0.00 0.00 39.78 39.24 1krb n ASN 528 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1krb n SER 529 N 0.85 2.30 -4.74 6.41 3.41 -1.12 -4.55 113.62 116.19 1krb n SER 529 Ca 0.21 -2.54 -0.41 0.00 -0.26 0.00 0.00 58.87 55.87 1krb n SER 529 Cb 0.60 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 1krb n SER 529 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1krb s LEU 530 N -1.93 4.39 -0.55 1.04 2.96 -0.88 -4.64 118.68 119.07 1krb s LEU 530 Ca 0.18 2.57 0.04 0.00 -0.22 0.00 0.00 54.13 56.70 1krb s LEU 530 Cb 0.15 -3.62 0.14 0.00 0.50 0.00 0.00 46.19 43.36 1krb s LEU 530 CO 0.03 -0.66 0.30 -1.10 -1.32 0.00 0.00 176.35 173.60 1krb s GLN 531 N -0.13 2.07 0.46 1.98 -0.21 -1.26 -4.40 119.66 118.17 1krb s GLN 531 Ca 0.59 -2.75 -0.17 0.00 0.02 0.00 0.00 55.36 53.06 1krb s GLN 531 Cb -0.40 -3.35 -0.09 0.00 1.00 0.00 0.00 33.01 30.17 1krb s GLN 531 CO 0.40 -1.14 0.93 -1.25 -2.12 0.00 0.00 175.29 172.11 1krb s PRO 532 N -0.48 4.03 -1.12 2.91 0.04 -1.26 -4.96 135.00 134.15 1krb s PRO 532 Ca 0.18 0.93 -0.17 0.00 0.04 0.00 0.00 61.00 61.97 1krb s PRO 532 Cb -0.22 -2.21 0.12 0.00 0.04 0.00 0.00 34.50 32.23 1krb s PRO 532 CO -0.03 -0.13 1.40 1.21 0.04 0.00 0.00 177.00 179.50 1krb s ASN 533 N -2.72 6.81 -0.11 6.66 2.47 -1.26 -4.39 114.94 122.41 1krb s ASN 533 Ca 0.59 -2.38 -0.06 0.00 0.42 0.00 0.00 52.86 51.42 1krb s ASN 533 Cb -0.10 -2.46 -0.04 0.00 -1.45 0.00 0.00 41.25 37.20 1krb s ASN 533 CO 0.24 -1.04 0.12 -0.51 -3.72 0.00 0.00 177.10 172.20 1krb s ILE 534 N 2.92 5.35 0.09 -5.21 2.07 -1.26 -1.11 121.20 124.05 1krb s ILE 534 Ca 0.42 0.13 0.04 0.00 -1.41 0.00 0.00 60.65 59.84 1krb s ILE 534 Cb -0.02 -3.33 -0.03 0.00 0.13 0.00 0.00 42.46 39.21 1krb s ILE 534 CO -0.03 0.60 -0.11 0.42 -1.91 0.00 0.00 174.94 173.92 1krb s THR 535 N -1.02 0.97 -0.08 4.00 -4.23 0.13 -4.89 115.64 110.51 1krb s THR 535 Ca 0.15 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1krb s THR 535 Cb -0.12 -1.29 0.02 0.00 1.34 0.00 0.00 72.50 72.45 1krb s THR 535 CO 0.04 -0.49 -0.08 -0.69 -0.54 0.00 0.00 174.62 172.87 1krb s VAL 536 N -2.19 0.91 -0.03 2.29 1.01 -1.26 -0.41 120.40 120.72 1krb s VAL 536 Ca 0.04 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1krb s VAL 536 Cb -0.04 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1krb s VAL 536 CO 0.01 0.33 1.38 -0.62 0.00 0.00 0.00 175.10 176.20 1krb s ASP 537 N 1.31 6.87 0.49 3.32 -1.08 -0.13 -4.92 116.67 122.53 1krb s ASP 537 Ca -0.03 2.03 0.15 0.00 -0.52 0.00 0.00 52.55 54.17 1krb s ASP 537 Cb -0.14 -2.55 1.15 0.00 -1.46 0.00 0.00 42.92 39.92 1krb s ASP 537 CO -0.03 -0.73 2.10 0.00 0.52 0.00 0.00 175.17 177.03 1krb h ALA 538 N 7.99 1.89 0.06 3.66 0.00 -1.95 0.56 119.26 131.47 1krb h ALA 538 Ca -0.36 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.18 1krb h ALA 538 Cb 1.17 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1krb h ALA 538 CO 0.91 0.09 -1.75 1.04 0.00 0.00 0.00 179.25 179.54 1krb n GLN 539 N -4.47 0.67 0.00 0.00 6.02 -1.26 -4.56 117.38 113.77 1krb n GLN 539 Ca -0.02 0.39 0.11 0.00 -0.01 0.00 0.00 57.00 57.46 1krb n GLN 539 Cb 0.13 -1.70 -0.10 0.00 1.02 0.00 0.00 30.24 29.59 1krb n GLN 539 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1krb n THR 540 N -3.90 0.04 -0.96 5.09 -2.24 -1.22 -4.98 114.28 106.11 1krb n THR 540 Ca -0.34 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1krb n THR 540 Cb 0.89 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1krb n THR 540 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1krb n TYR 541 N -1.85 0.00 -2.00 4.78 4.01 0.20 -4.93 117.16 117.36 1krb n TYR 541 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 1krb n TYR 541 Cb 0.43 -0.97 -0.02 0.00 -0.31 0.00 0.00 39.34 38.47 1krb n TYR 541 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1krb s GLU 542 N -0.94 4.26 -0.13 -0.72 2.02 -1.26 -4.38 118.70 117.56 1krb s GLU 542 Ca 0.00 2.33 -0.11 0.00 0.02 0.00 0.00 54.97 57.22 1krb s GLU 542 Cb 0.00 -3.06 -0.05 0.00 0.10 0.00 0.00 34.13 31.12 1krb s GLU 542 CO 0.00 -0.36 0.22 0.08 0.02 0.00 0.00 175.26 175.22 1krb s VAL 543 N -0.67 5.35 -0.01 2.63 1.01 -1.26 -0.96 120.40 126.50 1krb s VAL 543 Ca 0.54 0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.94 1krb s VAL 543 Cb -0.42 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 1krb s VAL 543 CO 0.51 0.50 -0.04 -0.13 0.00 0.00 0.00 175.10 175.95 1krb s ARG 544 N -0.27 0.34 -0.22 2.72 0.52 0.46 -1.99 118.95 120.50 1krb s ARG 544 Ca 0.15 -0.13 0.02 0.00 -0.52 0.00 0.00 55.73 55.24 1krb s ARG 544 Cb -0.13 -0.34 0.05 0.00 0.52 0.00 0.00 34.95 35.05 1krb s ARG 544 CO 0.04 0.07 -0.12 0.08 0.02 0.00 0.00 175.30 175.40 1krb s VAL 545 N -0.03 1.91 -1.61 3.52 1.01 -0.33 0.19 120.40 125.07 1krb s VAL 545 Ca 0.01 -1.27 -0.01 0.00 0.00 0.00 0.00 61.98 60.70 1krb s VAL 545 Cb -0.02 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1krb s VAL 545 CO -0.00 0.12 0.11 0.47 0.00 0.00 0.00 175.10 175.81 1krb n ASP 546 N 4.57 -5.60 0.00 3.32 8.00 -0.27 -1.99 116.55 124.58 1krb n ASP 546 Ca -0.15 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1krb n ASP 546 Cb 0.45 -4.60 0.00 0.00 -0.02 0.00 0.00 41.12 36.95 1krb n ASP 546 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1krb n GLY 547 N -1.11 3.00 3.80 0.44 0.00 -1.26 -5.02 105.19 105.04 1krb n GLY 547 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1krb n GLY 547 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1krb s GLU 548 N -0.23 4.13 -0.05 1.61 -1.05 -0.84 -4.96 118.70 117.31 1krb s GLU 548 Ca 0.00 1.32 -0.28 0.00 -0.15 0.00 0.00 54.97 55.87 1krb s GLU 548 Cb 0.00 -2.33 -0.03 0.00 -0.44 0.00 0.00 34.13 31.34 1krb s GLU 548 CO 0.00 -0.14 0.89 -1.17 0.95 0.00 0.00 175.26 175.79 1krb s LEU 549 N -2.99 4.32 -0.23 1.83 2.96 -1.26 -1.18 118.68 122.13 1krb s LEU 549 Ca 0.61 1.47 -0.10 0.00 -0.22 0.00 0.00 54.13 55.88 1krb s LEU 549 Cb -0.16 -3.40 -0.05 0.00 0.50 0.00 0.00 46.19 43.08 1krb s LEU 549 CO 0.20 -0.26 0.16 -0.63 -1.32 0.00 0.00 176.35 174.50 1krb s ILE 550 N 1.19 5.37 0.14 6.68 -1.09 -0.84 -4.95 121.20 127.70 1krb s ILE 550 Ca 0.46 0.20 -0.25 0.00 -2.23 0.00 0.00 60.65 58.83 1krb s ILE 550 Cb -0.19 -3.50 0.07 0.00 -1.58 0.00 0.00 42.46 37.26 1krb s ILE 550 CO 0.22 0.37 1.01 0.28 -1.23 0.00 0.00 174.94 175.59 1krb s THR 551 N 0.86 0.00 0.28 2.92 -1.32 -1.26 -4.50 115.64 112.61 1krb s THR 551 Ca 0.08 -0.61 -0.17 0.00 -1.21 0.00 0.00 61.69 59.77 1krb s THR 551 Cb -0.13 -2.12 0.01 0.00 -1.51 0.00 0.00 72.50 68.76 1krb s THR 551 CO 0.03 0.00 0.64 -0.94 -2.21 0.00 0.00 174.62 172.13 1krb s SER 552 N -3.01 -0.16 -0.02 8.08 1.04 -1.25 -4.88 113.70 113.50 1krb s SER 552 Ca 0.14 -0.77 -0.01 0.00 0.48 0.00 0.00 55.95 55.78 1krb s SER 552 Cb -0.01 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 1krb s SER 552 CO 0.02 -1.30 0.09 -1.61 0.98 0.00 0.00 173.24 171.42 1krb s GLU 553 N -3.83 3.11 0.02 4.02 0.41 -1.26 -4.90 118.70 116.26 1krb s GLU 553 Ca 0.16 -0.44 -0.30 0.00 -0.41 0.00 0.00 54.97 53.97 1krb s GLU 553 Cb -0.04 -2.89 -0.05 0.00 -1.78 0.00 0.00 34.13 29.36 1krb s GLU 553 CO 0.08 0.66 1.28 -1.25 -0.49 0.00 0.00 175.26 175.55 1krb s PRO 554 N -1.62 4.35 0.36 0.39 0.04 -1.26 -4.86 135.00 132.40 1krb s PRO 554 Ca 0.22 1.84 -0.25 0.00 0.04 0.00 0.00 61.00 62.84 1krb s PRO 554 Cb -0.12 -3.46 -0.09 0.00 0.04 0.00 0.00 34.50 30.86 1krb s PRO 554 CO 0.12 -0.43 1.02 0.00 0.04 0.00 0.00 177.00 177.75 1krb s ALA 555 N 1.80 3.17 -0.08 8.56 0.00 -0.45 -4.56 121.76 130.19 1krb s ALA 555 Ca 0.60 0.66 0.21 0.00 0.00 0.00 0.00 51.96 53.43 1krb s ALA 555 Cb -0.30 -3.25 -0.30 0.00 0.00 0.00 0.00 23.12 19.27 1krb s ALA 555 CO 0.26 -0.07 0.38 -0.40 0.00 0.00 0.00 175.76 175.94 1krb n ASP 556 N 0.30 0.04 -3.78 0.00 5.75 -1.26 -0.71 116.55 116.88 1krb n ASP 556 Ca 0.03 0.02 -0.13 0.00 -0.01 0.00 0.00 54.79 54.70 1krb n ASP 556 Cb 0.49 1.65 -0.10 0.00 -1.03 0.00 0.00 41.12 42.13 1krb n ASP 556 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1krb s VAL 557 N -3.22 0.04 0.11 2.12 1.01 -1.26 -4.93 120.40 114.28 1krb s VAL 557 Ca -0.08 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1krb s VAL 557 Cb 0.12 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1krb s VAL 557 CO 0.88 -0.16 -0.09 -0.76 0.00 0.00 0.00 175.10 174.97 1krb s LEU 558 N -0.68 2.47 0.95 3.92 1.43 -1.26 -5.13 118.68 120.39 1krb s LEU 558 Ca -0.08 -0.93 -0.15 0.00 -1.03 0.00 0.00 54.13 51.95 1krb s LEU 558 Cb -0.04 -0.26 0.20 0.00 0.03 0.00 0.00 46.19 46.12 1krb s LEU 558 CO 0.02 -0.33 1.31 -2.84 0.23 0.00 0.00 176.35 174.73 1krb s PRO 559 N -3.37 0.62 -1.55 1.29 0.02 -1.26 -4.11 135.00 126.65 1krb s PRO 559 Ca 0.11 -0.51 -0.11 0.00 0.02 0.00 0.00 61.00 60.50 1krb s PRO 559 Cb 0.01 -1.88 0.09 0.00 0.02 0.00 0.00 34.50 32.74 1krb s PRO 559 CO -0.01 -2.40 0.78 -1.33 -0.33 0.00 0.00 177.00 173.71 1krb n MET 560 N -3.73 -4.23 0.00 5.54 2.81 -1.26 -4.89 117.12 111.36 1krb n MET 560 Ca 0.16 0.48 0.00 0.00 -1.81 0.00 0.00 57.70 56.53 1krb n MET 560 Cb 0.59 -5.14 0.00 0.00 -0.71 0.00 0.00 33.22 27.96 1krb n MET 560 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1krb n ALA 561 N -4.49 0.00 0.20 3.04 0.00 -1.26 -4.95 120.51 113.06 1krb n ALA 561 Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.45 1krb n ALA 561 Cb 0.56 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.29 1krb n ALA 561 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1krb n GLN 562 N 0.00 0.06 0.14 0.00 6.02 -1.26 -2.30 117.38 120.04 1krb n GLN 562 Ca 0.00 0.47 0.12 0.00 -0.01 0.00 0.00 57.00 57.58 1krb n GLN 562 Cb 0.00 -1.67 0.23 0.00 1.02 0.00 0.00 30.24 29.82 1krb n GLN 562 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1krb h ARG 563 N 0.00 0.00 0.00 -1.09 2.43 -1.93 -3.38 114.38 110.41 1krb h ARG 563 Ca 0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1krb h ARG 563 Cb 0.10 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1krb h ARG 563 CO 0.00 0.00 -1.58 0.66 -1.51 0.00 0.00 179.97 177.54 1krb n TYR 564 N -2.59 0.00 -4.16 2.20 4.01 -0.97 -5.03 117.16 110.63 1krb n TYR 564 Ca 0.04 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.42 1krb n TYR 564 Cb 0.48 -0.35 -0.08 0.00 -0.31 0.00 0.00 39.34 39.08 1krb n TYR 564 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1krb s PHE 565 N -2.58 3.33 0.01 -0.72 0.08 -1.20 -4.99 117.98 111.90 1krb s PHE 565 Ca -0.04 0.29 0.27 0.00 0.12 0.00 0.00 56.93 57.57 1krb s PHE 565 Cb 0.06 -1.88 0.95 0.00 -0.57 0.00 0.00 43.02 41.58 1krb s PHE 565 CO 0.45 0.52 1.83 1.25 -0.10 0.00 0.00 175.22 179.17 1krb h LEU 566 N 5.29 0.00 0.00 -0.37 5.85 -1.94 -3.47 115.31 120.67 1krb h LEU 566 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1krb h LEU 566 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1krb h LEU 566 CO 0.58 0.12 0.00 0.49 -0.34 0.00 0.00 178.44 179.28