#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1b s GLU 2 N 0.00 4.57 0.00 0.00 2.12 -1.26 -1.09 118.70 123.04 3k1b s GLU 2 Ca 0.00 1.16 0.00 0.00 0.36 0.00 0.00 54.97 56.49 3k1b s GLU 2 Cb 0.00 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.09 3k1b s GLU 2 CO 0.00 0.48 0.00 0.44 -0.54 0.00 0.00 175.26 175.64 3k1b n ILE 3 N 1.97 0.00 -3.69 -3.70 -5.35 -1.02 -4.91 119.36 102.65 3k1b n ILE 3 Ca -0.04 -0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.33 3k1b n ILE 3 Cb 0.49 0.26 -0.11 0.00 -1.74 0.00 0.00 39.64 38.54 3k1b n ILE 3 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 3k1b s TYR 4 N -0.98 -0.63 -0.24 4.28 5.04 -1.19 -5.07 117.35 118.56 3k1b s TYR 4 Ca 0.00 1.33 -0.03 0.00 -2.44 0.00 0.00 57.07 55.93 3k1b s TYR 4 Cb 0.00 0.29 0.13 0.00 0.35 0.00 0.00 41.96 42.72 3k1b s TYR 4 CO 0.00 -0.35 0.35 1.21 -1.34 0.00 0.00 175.55 175.42 3k1b s ASN 5 N 1.39 0.41 -0.29 4.32 2.47 -1.26 -1.94 114.94 120.04 3k1b s ASN 5 Ca -0.09 0.17 -0.18 0.00 0.42 0.00 0.00 52.86 53.17 3k1b s ASN 5 Cb -0.08 1.00 0.13 0.00 -1.45 0.00 0.00 41.25 40.85 3k1b s ASN 5 CO -0.13 -0.30 0.94 -0.54 -3.72 0.00 0.00 177.10 173.35 3k1b s LYS 6 N 2.51 0.46 0.00 0.43 -0.14 -0.59 -5.01 119.74 117.41 3k1b s LYS 6 Ca 0.12 0.73 0.00 0.00 -1.36 0.00 0.00 55.97 55.45 3k1b s LYS 6 Cb -0.15 0.13 0.00 0.00 -1.68 0.00 0.00 37.83 36.13 3k1b s LYS 6 CO -0.15 -0.09 0.00 -0.25 -0.76 0.00 0.00 175.35 174.10 3k1b n ASP 7 N 3.40 -0.24 0.00 2.83 8.00 -1.26 -2.99 116.55 126.29 3k1b n ASP 7 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 3k1b n ASP 7 Cb 0.57 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 3k1b n ASP 7 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k1b n GLY 8 N -0.06 2.09 3.36 0.44 0.00 -1.26 -4.98 105.19 104.78 3k1b n GLY 8 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3k1b n GLY 8 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k1b s ASN 9 N -0.95 4.70 -0.28 1.61 2.47 -1.16 -1.00 114.94 120.32 3k1b s ASN 9 Ca 0.00 -0.37 -0.02 0.00 0.42 0.00 0.00 52.86 52.89 3k1b s ASN 9 Cb 0.00 -1.82 0.04 0.00 -1.45 0.00 0.00 41.25 38.02 3k1b s ASN 9 CO 0.00 -0.05 -0.01 -1.59 -3.72 0.00 0.00 177.10 171.73 3k1b s LYS 10 N 1.53 2.59 -0.20 0.43 0.00 0.33 -1.53 119.74 122.89 3k1b s LYS 10 Ca 0.06 -1.15 -0.14 0.00 0.00 0.00 0.00 55.97 54.74 3k1b s LYS 10 Cb -0.15 -3.13 -0.04 0.00 0.00 0.00 0.00 37.83 34.51 3k1b s LYS 10 CO -0.00 -0.54 0.29 0.08 0.00 0.00 0.00 175.35 175.18 3k1b s VAL 11 N 1.29 5.29 -0.24 1.79 1.01 -0.82 -1.87 120.40 126.84 3k1b s VAL 11 Ca -0.03 0.50 -0.03 0.00 0.00 0.00 0.00 61.98 62.41 3k1b s VAL 11 Cb -0.19 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.58 3k1b s VAL 11 CO -0.02 0.33 -0.04 -0.62 0.00 0.00 0.00 175.10 174.76 3k1b s ASP 12 N 0.80 4.38 -0.28 3.32 2.15 -0.88 -2.45 116.67 123.73 3k1b s ASP 12 Ca 0.15 -0.67 -0.04 0.00 0.43 0.00 0.00 52.55 52.42 3k1b s ASP 12 Cb -0.14 -1.72 0.02 0.00 -0.30 0.00 0.00 42.92 40.79 3k1b s ASP 12 CO 0.05 -0.09 0.02 -0.22 -0.17 0.00 0.00 175.17 174.75 3k1b s LEU 13 N 1.41 3.58 0.30 -1.34 2.96 -0.25 -0.68 118.68 124.66 3k1b s LEU 13 Ca 0.03 -0.81 0.02 0.00 -0.22 0.00 0.00 54.13 53.15 3k1b s LEU 13 Cb -0.16 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3k1b s LEU 13 CO -0.03 -0.17 0.31 -0.72 -1.32 0.00 0.00 176.35 174.42 3k1b s TYR 14 N 1.41 1.37 -2.98 5.38 -0.00 0.81 -4.06 117.35 119.29 3k1b s TYR 14 Ca 0.01 -1.46 0.00 0.00 -0.00 0.00 0.00 57.07 55.62 3k1b s TYR 14 Cb -0.17 -0.46 0.00 0.00 -0.00 0.00 0.00 41.96 41.33 3k1b s TYR 14 CO -0.01 -0.91 0.00 0.41 -0.00 0.00 0.00 175.55 175.05 3k1b n GLY 15 N -0.52 0.55 3.79 5.49 0.00 -1.24 -0.80 105.19 112.45 3k1b n GLY 15 Ca 0.04 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.19 3k1b n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k1b s LYS 16 N -1.19 1.93 -0.19 1.61 -2.85 -1.00 -2.24 119.74 115.81 3k1b s LYS 16 Ca 0.00 -1.23 -0.03 0.00 -1.00 0.00 0.00 55.97 53.71 3k1b s LYS 16 Cb 0.00 0.59 -0.02 0.00 -2.06 0.00 0.00 37.83 36.35 3k1b s LYS 16 CO 0.00 -0.88 -0.06 0.00 0.10 0.00 0.00 175.35 174.51 3k1b s ALA 17 N -3.30 2.83 -0.44 0.59 0.00 -1.26 -2.58 121.76 117.60 3k1b s ALA 17 Ca 0.15 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.11 3k1b s ALA 17 Cb -0.05 -1.58 0.13 0.00 0.00 0.00 0.00 23.12 21.62 3k1b s ALA 17 CO 0.10 -0.13 0.23 0.08 0.00 0.00 0.00 175.76 176.03 3k1b s VAL 18 N 0.97 1.61 -0.79 0.00 1.01 -0.89 -1.15 120.40 121.16 3k1b s VAL 18 Ca -0.00 -2.62 -0.25 0.00 0.00 0.00 0.00 61.98 59.11 3k1b s VAL 18 Cb -0.15 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 3k1b s VAL 18 CO 0.00 -0.86 2.00 -0.83 0.00 0.00 0.00 175.10 175.42 3k1b s GLY 19 N 0.33 0.03 0.27 4.51 0.00 0.13 -2.84 107.32 109.75 3k1b s GLY 19 Ca 0.17 -1.11 0.08 0.00 0.00 0.00 0.00 44.72 43.86 3k1b s GLY 19 CO -0.01 3.59 0.17 -2.27 0.00 0.00 0.00 173.10 174.59 3k1b s LEU 20 N 10.48 3.64 -0.29 0.66 2.96 -1.26 -1.33 118.68 133.54 3k1b s LEU 20 Ca 0.73 -0.39 -0.20 0.00 -0.22 0.00 0.00 54.13 54.06 3k1b s LEU 20 Cb -0.10 -2.18 0.14 0.00 0.50 0.00 0.00 46.19 44.56 3k1b s LEU 20 CO 0.08 -0.09 1.05 -2.28 -1.32 0.00 0.00 176.35 173.78 3k1b s HIS 21 N -2.21 -0.46 0.14 5.38 5.65 -0.80 -1.43 115.29 121.56 3k1b s HIS 21 Ca 0.34 1.00 0.02 0.00 0.25 0.00 0.00 55.06 56.68 3k1b s HIS 21 Cb -0.07 0.35 -0.04 0.00 -1.18 0.00 0.00 32.58 31.64 3k1b s HIS 21 CO 0.24 -0.23 0.26 0.71 -0.65 0.00 0.00 174.74 175.07 3k1b s TYR 22 N 0.82 3.45 -0.22 3.88 2.02 -1.14 -1.80 117.35 124.35 3k1b s TYR 22 Ca -0.03 0.12 -0.01 0.00 -0.37 0.00 0.00 57.07 56.78 3k1b s TYR 22 Cb -0.04 -1.66 0.06 0.00 -0.40 0.00 0.00 41.96 39.92 3k1b s TYR 22 CO -0.12 0.53 -0.00 -0.06 -1.57 0.00 0.00 175.55 174.33 3k1b s PHE 23 N -1.71 1.77 0.02 2.71 0.40 0.10 -2.94 117.98 118.32 3k1b s PHE 23 Ca 0.34 -1.39 0.04 0.00 -0.60 0.00 0.00 56.93 55.33 3k1b s PHE 23 Cb -0.11 -1.37 -0.02 0.00 0.51 0.00 0.00 43.02 42.03 3k1b s PHE 23 CO 0.28 -0.71 -0.13 -1.12 0.70 0.00 0.00 175.22 174.23 3k1b s SER 24 N 1.61 1.52 0.40 1.36 0.01 -1.20 -0.98 113.70 116.42 3k1b s SER 24 Ca -0.02 -0.36 -0.24 0.00 1.31 0.00 0.00 55.95 56.64 3k1b s SER 24 Cb -0.18 -0.12 -0.09 0.00 0.21 0.00 0.00 66.02 65.84 3k1b s SER 24 CO -0.08 0.07 1.05 -1.59 0.41 0.00 0.00 173.24 173.09 3k1b s LYS 25 N -0.80 4.16 4.18 12.44 -2.85 -1.26 -3.84 119.74 131.78 3k1b s LYS 25 Ca 0.02 1.50 0.00 0.00 -1.00 0.00 0.00 55.97 56.49 3k1b s LYS 25 Cb -0.07 -2.52 0.00 0.00 -2.06 0.00 0.00 37.83 33.18 3k1b s LYS 25 CO 0.01 -0.14 0.00 0.41 0.10 0.00 0.00 175.35 175.72 3k1b n GLY 26 N 0.30 3.26 0.00 0.59 0.00 -1.26 -2.38 105.19 105.70 3k1b n GLY 26 Ca 0.05 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.37 3k1b n GLY 26 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3k1b n ASN 27 N 5.04 0.00 0.00 1.61 5.15 -1.26 -4.82 115.26 120.97 3k1b n ASN 27 Ca 0.00 -0.27 0.00 0.00 -0.60 0.00 0.00 54.58 53.71 3k1b n ASN 27 Cb 0.00 -0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 3k1b n ASN 27 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3k1b n GLY 28 N 0.87 0.00 0.21 8.20 0.00 -1.00 -4.47 105.19 109.01 3k1b n GLY 28 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 3k1b n GLY 28 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3k1b h GLU 29 N 0.00 0.68 -2.16 1.61 4.11 -1.88 -2.21 114.58 114.73 3k1b h GLU 29 Ca 0.00 -0.06 -0.44 0.00 0.07 0.00 0.00 59.36 58.93 3k1b h GLU 29 Cb 0.00 -0.15 -0.12 0.00 0.50 0.00 0.00 28.75 28.99 3k1b h GLU 29 CO 0.00 0.49 0.68 -1.71 0.07 0.00 0.00 179.01 178.53 3k1b n ASN 30 N -4.70 6.45 -0.29 3.06 2.85 -1.26 -4.75 115.26 116.62 3k1b n ASN 30 Ca 0.02 -2.89 0.00 0.00 -0.11 0.00 0.00 54.58 51.60 3k1b n ASN 30 Cb 0.05 -1.34 0.00 0.00 1.24 0.00 0.00 39.78 39.72 3k1b n ASN 30 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3k1b n SER 31 N 1.77 0.12 -0.10 1.20 3.41 -0.83 -1.49 113.62 117.69 3k1b n SER 31 Ca 0.51 -0.28 -0.15 0.00 -0.26 0.00 0.00 58.87 58.69 3k1b n SER 31 Cb 0.61 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.43 3k1b n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1b n TYR 32 N 0.00 0.21 -0.05 7.33 9.36 -0.67 -4.43 117.16 128.91 3k1b n TYR 32 Ca 0.00 0.05 -0.08 0.00 3.32 0.00 0.00 57.90 61.19 3k1b n TYR 32 Cb 0.00 -1.03 -0.05 0.00 -0.63 0.00 0.00 39.34 37.63 3k1b n TYR 32 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3k1b n GLY 33 N 2.04 -0.16 0.00 2.98 0.00 -1.26 -5.01 105.19 103.78 3k1b n GLY 33 Ca -0.39 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3k1b n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1b n GLY 34 N 2.84 0.32 0.00 -0.02 0.00 -1.26 -5.08 105.19 102.00 3k1b n GLY 34 Ca -0.20 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3k1b n GLY 34 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3k1b n ASN 35 N 0.00 0.00 0.00 1.61 2.85 -1.26 -3.21 115.26 115.24 3k1b n ASN 35 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3k1b n ASN 35 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3k1b n ASN 35 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3k1b n GLY 36 N -0.13 3.41 2.12 8.20 0.00 -1.15 -4.93 105.19 112.71 3k1b n GLY 36 Ca 0.00 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 43.94 3k1b n GLY 36 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k1b n ASP 37 N 0.00 -2.88 0.00 1.61 2.03 -1.26 -2.89 116.55 113.16 3k1b n ASP 37 Ca 0.00 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.66 3k1b n ASP 37 Cb 0.00 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 3k1b n ASP 37 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3k1b n MET 38 N 1.19 0.00 -0.29 -0.67 2.81 -0.51 -4.74 117.12 114.90 3k1b n MET 38 Ca 0.03 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.81 3k1b n MET 38 Cb 0.33 -0.25 -0.02 0.00 -0.71 0.00 0.00 33.22 32.58 3k1b n MET 38 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3k1b n THR 39 N 0.00 0.00 -1.97 2.03 -1.04 -0.84 -4.44 114.28 108.02 3k1b n THR 39 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3k1b n THR 39 Cb 0.19 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 3k1b n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k1b n TYR 40 N 0.59 0.00 -3.64 -1.42 4.11 -1.13 0.16 117.16 115.82 3k1b n TYR 40 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.88 3k1b n TYR 40 Cb -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.27 3k1b n TYR 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3k1b s ALA 41 N -1.24 -2.07 0.11 -3.48 0.00 -0.31 -2.08 121.76 112.68 3k1b s ALA 41 Ca 0.00 1.82 0.04 0.00 0.00 0.00 0.00 51.96 53.81 3k1b s ALA 41 Cb 0.00 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 3k1b s ALA 41 CO 0.00 -0.19 0.09 1.03 0.00 0.00 0.00 175.76 176.69 3k1b s ARG 42 N 0.19 2.87 -0.02 0.00 1.81 -1.06 -0.75 118.95 122.00 3k1b s ARG 42 Ca 0.04 -0.76 -0.16 0.00 -1.72 0.00 0.00 55.73 53.14 3k1b s ARG 42 Cb -0.05 -2.69 0.03 0.00 -0.45 0.00 0.00 34.95 31.78 3k1b s ARG 42 CO -0.10 0.54 0.33 -1.17 -0.68 0.00 0.00 175.30 174.22 3k1b s LEU 43 N -2.62 0.77 0.00 2.53 2.96 -1.10 -2.37 118.68 118.85 3k1b s LEU 43 Ca 0.30 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 54.34 3k1b s LEU 43 Cb -0.11 1.34 0.00 0.00 0.50 0.00 0.00 46.19 47.91 3k1b s LEU 43 CO 0.22 -0.45 0.00 0.61 -1.32 0.00 0.00 176.35 175.41 3k1b n GLY 44 N 1.28 -0.37 2.67 7.98 0.00 0.02 -0.60 105.19 116.17 3k1b n GLY 44 Ca -0.21 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 3k1b n GLY 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k1b s PHE 45 N -2.00 0.06 -0.88 1.61 -0.12 -0.88 -0.13 117.98 115.63 3k1b s PHE 45 Ca 0.00 0.21 -0.19 0.00 -0.05 0.00 0.00 56.93 56.90 3k1b s PHE 45 Cb 0.00 -0.49 0.13 0.00 -0.63 0.00 0.00 43.02 42.03 3k1b s PHE 45 CO 0.00 -0.24 1.06 0.15 -0.05 0.00 0.00 175.22 176.14 3k1b s LYS 46 N 2.18 3.54 -0.12 1.99 1.02 0.15 -2.75 119.74 125.75 3k1b s LYS 46 Ca 0.04 -1.73 -0.05 0.00 0.02 0.00 0.00 55.97 54.26 3k1b s LYS 46 Cb -0.13 -4.79 -0.04 0.00 -0.52 0.00 0.00 37.83 32.35 3k1b s LYS 46 CO -0.04 -1.72 0.07 0.20 -0.92 0.00 0.00 175.35 172.93 3k1b s GLY 47 N 3.51 1.99 0.12 -3.33 0.00 -1.24 -2.07 107.32 106.30 3k1b s GLY 47 Ca 0.30 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 44.31 3k1b s GLY 47 CO -0.07 -0.39 -0.06 1.85 0.00 0.00 0.00 173.10 174.42 3k1b s GLU 48 N -0.76 0.92 -0.32 2.90 2.12 -0.78 -0.72 118.70 122.05 3k1b s GLU 48 Ca 0.12 -1.39 0.05 0.00 0.36 0.00 0.00 54.97 54.11 3k1b s GLU 48 Cb -0.12 -0.30 0.18 0.00 0.26 0.00 0.00 34.13 34.15 3k1b s GLU 48 CO 0.03 -0.02 0.51 -0.08 -0.54 0.00 0.00 175.26 175.16 3k1b s THR 49 N -3.57 -0.80 -0.69 -1.70 -1.32 0.16 0.12 115.64 107.84 3k1b s THR 49 Ca 0.14 -0.20 -0.25 0.00 -1.21 0.00 0.00 61.69 60.17 3k1b s THR 49 Cb 0.05 -0.80 -0.13 0.00 -1.51 0.00 0.00 72.50 70.11 3k1b s THR 49 CO -0.02 -0.16 2.43 0.00 -2.21 0.00 0.00 174.62 174.65 3k1b n GLN 50 N 5.12 0.67 0.37 7.08 6.02 -0.17 -0.23 117.38 136.23 3k1b n GLN 50 Ca 0.05 -0.30 -0.18 0.00 -0.01 0.00 0.00 57.00 56.56 3k1b n GLN 50 Cb 0.52 -3.12 -0.09 0.00 1.02 0.00 0.00 30.24 28.57 3k1b n GLN 50 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3k1b h ILE 51 N 7.68 0.00 0.00 5.09 2.04 -1.83 -3.45 117.51 127.04 3k1b h ILE 51 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3k1b h ILE 51 Cb 1.17 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3k1b h ILE 51 CO 1.17 0.00 0.00 -0.46 0.00 0.00 0.00 178.15 178.86 3k1b n ASN 52 N -5.34 0.00 0.04 1.72 0.23 -1.21 -4.98 115.26 105.73 3k1b n ASN 52 Ca -0.13 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.03 3k1b n ASN 52 Cb 0.46 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.11 3k1b n ASN 52 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3k1b n SER 53 N 0.00 0.50 0.00 0.53 7.64 -1.26 -4.25 113.62 116.78 3k1b n SER 53 Ca 0.00 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.91 3k1b n SER 53 Cb 0.00 1.07 0.00 0.00 -1.01 0.00 0.00 64.21 64.27 3k1b n SER 53 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3k1b n ASP 54 N -2.30 2.45 -4.73 6.43 8.00 -1.26 -4.90 116.55 120.24 3k1b n ASP 54 Ca -0.01 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.08 3k1b n ASP 54 Cb 0.52 0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.66 3k1b n ASP 54 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3k1b s LEU 55 N -3.76 4.45 -0.01 0.64 2.96 -1.23 -1.89 118.68 119.85 3k1b s LEU 55 Ca 0.00 2.05 0.05 0.00 -0.22 0.00 0.00 54.13 56.01 3k1b s LEU 55 Cb 0.00 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 3k1b s LEU 55 CO 0.00 -0.29 -0.15 -0.89 -1.32 0.00 0.00 176.35 173.70 3k1b s THR 56 N 0.16 1.21 -0.14 3.68 2.01 0.11 -2.83 115.64 119.84 3k1b s THR 56 Ca 0.52 -0.70 -0.07 0.00 0.31 0.00 0.00 61.69 61.75 3k1b s THR 56 Cb -0.29 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 3k1b s THR 56 CO 0.33 0.31 0.11 -0.83 -0.69 0.00 0.00 174.62 173.85 3k1b s GLY 57 N -0.45 2.06 0.17 4.40 0.00 0.68 -0.93 107.32 113.26 3k1b s GLY 57 Ca 0.06 -0.68 -0.02 0.00 0.00 0.00 0.00 44.72 44.07 3k1b s GLY 57 CO -0.00 -0.26 0.13 -2.52 0.00 0.00 0.00 173.10 170.44 3k1b s TYR 58 N -0.59 0.94 0.00 1.90 -0.00 -1.05 0.41 117.35 118.95 3k1b s TYR 58 Ca 0.12 -1.24 0.00 0.00 -0.00 0.00 0.00 57.07 55.95 3k1b s TYR 58 Cb -0.12 -0.45 0.00 0.00 -0.00 0.00 0.00 41.96 41.39 3k1b s TYR 58 CO 0.02 -0.61 0.00 0.41 -0.00 0.00 0.00 175.55 175.37 3k1b n GLY 59 N -0.20 3.31 0.00 5.49 0.00 0.10 -2.51 105.19 111.38 3k1b n GLY 59 Ca -0.02 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3k1b n GLY 59 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3k1b n GLN 60 N 0.00 0.00 -4.33 1.61 -0.06 -1.12 -3.70 117.38 109.79 3k1b n GLN 60 Ca 0.00 0.00 -0.22 0.00 -2.00 0.00 0.00 57.00 54.78 3k1b n GLN 60 Cb 0.00 0.00 -0.11 0.00 -4.06 0.00 0.00 30.24 26.07 3k1b n GLN 60 CO 0.00 0.00 0.00 -0.46 -0.20 0.00 0.00 177.06 176.40 3k1b s TRP 61 N 0.00 1.82 -0.29 3.69 -0.00 -1.11 -2.10 118.94 120.95 3k1b s TRP 61 Ca 0.00 -0.47 -0.19 0.00 -0.00 0.00 0.00 56.10 55.45 3k1b s TRP 61 Cb 0.00 -0.91 0.13 0.00 -0.00 0.00 0.00 33.47 32.68 3k1b s TRP 61 CO 0.00 0.32 0.95 -2.00 -0.00 0.00 0.00 176.95 176.22 3k1b s GLU 62 N -2.74 0.47 0.23 5.86 2.12 -0.59 -2.07 118.70 121.97 3k1b s GLU 62 Ca 0.15 0.73 0.03 0.00 0.36 0.00 0.00 54.97 56.24 3k1b s GLU 62 Cb -0.06 0.14 -0.05 0.00 0.26 0.00 0.00 34.13 34.42 3k1b s GLU 62 CO 0.06 -0.08 0.00 -0.47 -0.54 0.00 0.00 175.26 174.23 3k1b s TYR 63 N 1.04 1.54 -0.10 5.30 5.04 0.23 -0.35 117.35 130.05 3k1b s TYR 63 Ca -0.05 -0.95 -0.00 0.00 -2.44 0.00 0.00 57.07 53.63 3k1b s TYR 63 Cb -0.04 -0.89 0.02 0.00 0.35 0.00 0.00 41.96 41.40 3k1b s TYR 63 CO -0.13 -0.07 -0.07 1.21 -1.34 0.00 0.00 175.55 175.15 3k1b s ASN 64 N -3.30 2.03 -0.11 4.32 2.47 -0.35 -2.69 114.94 117.31 3k1b s ASN 64 Ca 0.29 -0.27 -0.01 0.00 0.42 0.00 0.00 52.86 53.28 3k1b s ASN 64 Cb 0.06 -0.79 -0.03 0.00 -1.45 0.00 0.00 41.25 39.05 3k1b s ASN 64 CO 0.09 -0.11 -0.06 -0.36 -3.72 0.00 0.00 177.10 172.94 3k1b s PHE 65 N 1.58 2.97 0.37 0.43 0.08 0.07 -2.81 117.98 120.67 3k1b s PHE 65 Ca 0.02 -0.15 -0.03 0.00 0.12 0.00 0.00 56.93 56.89 3k1b s PHE 65 Cb -0.13 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 3k1b s PHE 65 CO -0.06 0.16 0.63 -0.65 -0.10 0.00 0.00 175.22 175.20 3k1b s GLN 66 N -0.28 3.56 0.00 0.44 -1.52 -1.26 -1.16 119.66 119.44 3k1b s GLN 66 Ca 0.04 -0.03 0.00 0.00 -1.95 0.00 0.00 55.36 53.42 3k1b s GLN 66 Cb -0.13 -2.56 0.00 0.00 -0.22 0.00 0.00 33.01 30.11 3k1b s GLN 66 CO 0.02 0.05 0.42 0.41 -0.25 0.00 0.00 175.29 175.94 3k1b n GLY 67 N -1.67 -0.45 0.63 3.09 0.00 0.41 -4.56 105.19 102.64 3k1b n GLY 67 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 3k1b n GLY 67 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3k1b n ASN 68 N -0.05 1.83 -4.90 1.61 0.23 -0.99 -4.79 115.26 108.20 3k1b n ASN 68 Ca 0.00 -1.91 -0.21 0.00 -0.53 0.00 0.00 54.58 51.93 3k1b n ASN 68 Cb 0.11 -0.20 -0.03 0.00 -2.08 0.00 0.00 39.78 37.59 3k1b n ASN 68 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 3k1b s ASN 69 N -1.17 5.86 0.54 0.53 -0.87 -1.26 -5.03 114.94 113.54 3k1b s ASN 69 Ca 0.26 -0.14 0.09 0.00 -1.57 0.00 0.00 52.86 51.50 3k1b s ASN 69 Cb 0.14 -1.52 0.06 0.00 -0.02 0.00 0.00 41.25 39.91 3k1b s ASN 69 CO 0.19 -0.13 0.66 -0.94 -2.57 0.00 0.00 177.10 174.32 3k1b s SER 70 N -3.95 5.08 0.00 -1.22 1.04 -1.26 -5.03 113.70 108.36 3k1b s SER 70 Ca 0.36 -0.86 0.27 0.00 0.48 0.00 0.00 55.95 56.20 3k1b s SER 70 Cb -0.08 0.14 0.91 0.00 0.10 0.00 0.00 66.02 67.09 3k1b s SER 70 CO 0.27 -1.18 1.67 -0.62 0.98 0.00 0.00 173.24 174.36 3k1b n GLU 71 N -2.06 1.76 0.00 4.02 1.02 -1.26 -3.74 120.64 120.38 3k1b n GLU 71 Ca 0.11 -1.11 0.00 0.00 -0.02 0.00 0.00 57.16 56.13 3k1b n GLU 71 Cb 0.62 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 3k1b n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k1b n GLY 72 N 1.20 1.39 0.00 0.62 0.00 -1.26 -4.72 105.19 102.42 3k1b n GLY 72 Ca 0.18 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3k1b n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1b n ALA 73 N -3.00 0.00 0.00 4.61 0.00 -1.26 -1.08 120.51 119.78 3k1b n ALA 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3k1b n ALA 73 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.55 3k1b n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3k1b n ASP 74 N -0.49 0.00 0.00 0.00 5.75 -1.26 -4.45 116.55 116.10 3k1b n ASP 74 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3k1b n ASP 74 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3k1b n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k1b n ALA 75 N -0.61 0.00 -0.44 2.12 0.00 -0.24 -1.16 120.51 120.18 3k1b n ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3k1b n ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3k1b n ALA 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3k1b n GLN 76 N -1.98 -0.02 -2.56 0.00 1.13 -1.26 -4.81 117.38 107.87 3k1b n GLN 76 Ca 0.00 -0.47 -0.36 0.00 -1.94 0.00 0.00 57.00 54.23 3k1b n GLN 76 Cb 0.00 -0.78 -0.04 0.00 0.11 0.00 0.00 30.24 29.53 3k1b n GLN 76 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3k1b s THR 77 N -0.13 3.77 0.00 5.09 2.01 -0.31 -2.17 115.64 123.90 3k1b s THR 77 Ca 0.00 1.33 0.00 0.00 0.31 0.00 0.00 61.69 63.33 3k1b s THR 77 Cb 0.00 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.84 3k1b s THR 77 CO 0.00 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 3k1b n GLY 78 N 0.26 1.34 3.64 4.40 0.00 -1.26 -4.69 105.19 108.87 3k1b n GLY 78 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3k1b n GLY 78 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3k1b s ASN 79 N -3.04 6.54 0.17 1.61 0.01 -0.92 -4.32 114.94 114.99 3k1b s ASN 79 Ca 0.00 0.65 -0.10 0.00 -0.71 0.00 0.00 52.86 52.71 3k1b s ASN 79 Cb 0.00 -2.31 -0.01 0.00 0.41 0.00 0.00 41.25 39.35 3k1b s ASN 79 CO 0.00 -0.27 0.30 -1.59 -1.51 0.00 0.00 177.10 174.04 3k1b s LYS 80 N 2.07 1.17 -0.21 -0.60 0.00 -1.12 -5.02 119.74 116.02 3k1b s LYS 80 Ca 0.24 -1.15 -0.21 0.00 0.00 0.00 0.00 55.97 54.85 3k1b s LYS 80 Cb -0.16 0.39 -0.02 0.00 0.00 0.00 0.00 37.83 38.04 3k1b s LYS 80 CO 0.09 -0.43 0.63 0.99 0.00 0.00 0.00 175.35 176.63 3k1b s THR 81 N -3.96 5.01 -0.19 3.79 2.01 -1.26 -1.21 115.64 119.83 3k1b s THR 81 Ca 0.17 1.18 -0.15 0.00 0.31 0.00 0.00 61.69 63.19 3k1b s THR 81 Cb 0.03 -3.94 -0.10 0.00 0.01 0.00 0.00 72.50 68.49 3k1b s THR 81 CO -0.00 0.08 -0.08 0.54 -0.69 0.00 0.00 174.62 174.47 3k1b n ARG 82 N 5.25 0.52 -4.76 4.92 1.74 0.53 -4.96 116.66 119.89 3k1b n ARG 82 Ca -0.01 0.48 -0.27 0.00 -0.77 0.00 0.00 57.85 57.28 3k1b n ARG 82 Cb 0.49 -1.66 -0.14 0.00 -1.02 0.00 0.00 32.46 30.13 3k1b n ARG 82 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3k1b s LEU 83 N -7.98 2.14 -0.29 0.55 1.43 -0.99 -4.80 118.68 108.74 3k1b s LEU 83 Ca -0.24 -0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 52.23 3k1b s LEU 83 Cb 0.05 -1.04 0.12 0.00 0.03 0.00 0.00 46.19 45.36 3k1b s LEU 83 CO 0.41 0.19 0.73 0.00 0.23 0.00 0.00 176.35 177.92 3k1b s ALA 84 N -0.74 -2.13 -0.13 4.21 0.00 0.13 -1.54 121.76 121.56 3k1b s ALA 84 Ca 0.08 2.31 -0.34 0.00 0.00 0.00 0.00 51.96 54.02 3k1b s ALA 84 Cb -0.09 -1.74 0.13 0.00 0.00 0.00 0.00 23.12 21.43 3k1b s ALA 84 CO 0.01 -0.77 1.27 -0.59 0.00 0.00 0.00 175.76 175.68 3k1b s PHE 85 N 2.44 -0.08 0.36 0.00 -0.00 -0.89 0.25 117.98 120.06 3k1b s PHE 85 Ca -0.07 0.02 0.08 0.00 -0.00 0.00 0.00 56.93 56.96 3k1b s PHE 85 Cb -0.09 0.52 -0.07 0.00 -0.00 0.00 0.00 43.02 43.38 3k1b s PHE 85 CO -0.19 -0.20 -0.03 0.00 -0.00 0.00 0.00 175.22 174.80 3k1b s ALA 86 N -2.36 2.93 -0.23 1.99 0.00 -1.25 -2.78 121.76 120.06 3k1b s ALA 86 Ca 0.12 -2.16 -0.37 0.00 0.00 0.00 0.00 51.96 49.54 3k1b s ALA 86 Cb 0.02 0.14 0.15 0.00 0.00 0.00 0.00 23.12 23.43 3k1b s ALA 86 CO -0.04 -0.06 1.39 0.20 0.00 0.00 0.00 175.76 177.25 3k1b s GLY 87 N -3.62 -0.29 -0.06 0.00 0.00 -1.04 -2.46 107.32 99.84 3k1b s GLY 87 Ca 0.34 1.62 0.05 0.00 0.00 0.00 0.00 44.72 46.73 3k1b s GLY 87 CO 0.17 0.50 -0.21 1.08 0.00 0.00 0.00 173.10 174.64 3k1b s LEU 88 N -2.31 1.98 -0.18 0.66 1.43 0.22 -2.53 118.68 117.95 3k1b s LEU 88 Ca 0.13 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 52.63 3k1b s LEU 88 Cb 0.02 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 3k1b s LEU 88 CO -0.04 0.18 0.38 -0.54 0.23 0.00 0.00 176.35 176.56 3k1b s LYS 89 N 0.06 4.21 -0.24 1.70 1.02 -0.10 -1.96 119.74 124.43 3k1b s LYS 89 Ca -0.07 0.20 -0.03 0.00 0.02 0.00 0.00 55.97 56.09 3k1b s LYS 89 Cb -0.14 -3.50 0.08 0.00 -0.52 0.00 0.00 37.83 33.75 3k1b s LYS 89 CO 0.04 0.06 0.07 -0.47 -0.92 0.00 0.00 175.35 174.13 3k1b s TYR 90 N 1.01 1.02 0.00 3.18 5.04 0.43 0.04 117.35 128.08 3k1b s TYR 90 Ca 0.19 -1.05 0.00 0.00 -2.44 0.00 0.00 57.07 53.77 3k1b s TYR 90 Cb -0.14 -1.16 0.00 0.00 0.35 0.00 0.00 41.96 41.01 3k1b s TYR 90 CO 0.07 -0.71 0.00 0.00 -1.34 0.00 0.00 175.55 173.57 3k1b n ALA 91 N 5.05 0.00 -1.81 3.97 0.00 -0.79 -0.60 120.51 126.32 3k1b n ALA 91 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.39 3k1b n ALA 91 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.92 3k1b n ALA 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3k1b n ASP 92 N 9.50 0.32 0.05 0.00 8.00 -1.26 -4.77 116.55 128.39 3k1b n ASP 92 Ca 0.00 -2.09 -0.18 0.00 0.71 0.00 0.00 54.79 53.23 3k1b n ASP 92 Cb 0.00 -0.22 -0.08 0.00 -0.02 0.00 0.00 41.12 40.80 3k1b n ASP 92 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3k1b h VAL 93 N 5.83 1.32 0.00 2.53 2.07 -1.16 -3.36 116.25 123.48 3k1b h VAL 93 Ca 0.00 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.19 3k1b h VAL 93 Cb 1.32 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 3k1b h VAL 93 CO 0.00 0.71 0.00 0.61 0.02 0.00 0.00 177.57 178.91 3k1b n GLY 94 N 1.05 0.16 3.41 2.17 0.00 -1.19 -4.89 105.19 105.90 3k1b n GLY 94 Ca -0.10 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 3k1b n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k1b s SER 95 N -4.00 -0.52 -0.11 1.61 1.04 -0.33 -0.42 113.70 110.97 3k1b s SER 95 Ca 0.00 -0.03 -0.30 0.00 0.48 0.00 0.00 55.95 56.10 3k1b s SER 95 Cb 0.00 0.58 0.10 0.00 0.10 0.00 0.00 66.02 66.80 3k1b s SER 95 CO 0.00 -0.94 0.87 0.12 0.98 0.00 0.00 173.24 174.27 3k1b s PHE 96 N -3.68 -0.48 -0.05 5.02 5.99 -0.83 -0.66 117.98 123.30 3k1b s PHE 96 Ca 0.01 0.80 -0.31 0.00 0.00 0.00 0.00 56.93 57.43 3k1b s PHE 96 Cb -0.01 0.44 0.12 0.00 0.00 0.00 0.00 43.02 43.57 3k1b s PHE 96 CO -0.12 -0.45 1.18 0.16 -0.00 0.00 0.00 175.22 175.99 3k1b s ASP 97 N -1.21 -0.13 -0.29 6.13 1.47 -1.01 -0.61 116.67 121.03 3k1b s ASP 97 Ca -0.05 -0.12 -0.15 0.00 1.18 0.00 0.00 52.55 53.42 3k1b s ASP 97 Cb -0.00 0.22 0.11 0.00 -0.34 0.00 0.00 42.92 42.90 3k1b s ASP 97 CO 0.04 -0.39 0.74 -0.47 0.68 0.00 0.00 175.17 175.78 3k1b s TYR 98 N -2.60 -1.03 -5.00 2.11 5.04 -1.03 -0.05 117.35 114.79 3k1b s TYR 98 Ca 0.11 1.97 0.00 0.00 -2.44 0.00 0.00 57.07 56.72 3k1b s TYR 98 Cb 0.02 0.62 0.00 0.00 0.35 0.00 0.00 41.96 42.94 3k1b s TYR 98 CO -0.04 -0.51 0.00 0.41 -1.34 0.00 0.00 175.55 174.07 3k1b n GLY 99 N 4.50 -0.15 3.55 8.97 0.00 -1.12 -3.76 105.19 117.19 3k1b n GLY 99 Ca -0.17 -1.10 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 3k1b n GLY 99 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k1b s ARG 100 N -2.00 3.63 0.26 1.61 3.52 0.70 -2.72 118.95 123.95 3k1b s ARG 100 Ca 0.00 -0.43 -0.10 0.00 -0.13 0.00 0.00 55.73 55.07 3k1b s ARG 100 Cb 0.00 -3.78 -0.01 0.00 -1.56 0.00 0.00 34.95 29.61 3k1b s ARG 100 CO 0.00 -0.44 0.45 1.21 -0.81 0.00 0.00 175.30 175.71 3k1b s ASN 101 N 1.72 0.06 1.13 -2.12 2.47 -0.99 0.20 114.94 117.42 3k1b s ASN 101 Ca 0.10 -1.05 -0.13 0.00 0.42 0.00 0.00 52.86 52.20 3k1b s ASN 101 Cb -0.17 0.58 0.26 0.00 -1.45 0.00 0.00 41.25 40.48 3k1b s ASN 101 CO 0.11 -1.15 1.04 -0.31 -3.72 0.00 0.00 177.10 173.08 3k1b s TYR 102 N -3.86 1.53 0.16 0.43 4.12 -1.26 -3.14 117.35 115.31 3k1b s TYR 102 Ca 0.25 1.13 0.05 0.00 0.02 0.00 0.00 57.07 58.51 3k1b s TYR 102 Cb -0.00 -3.14 -0.04 0.00 -1.52 0.00 0.00 41.96 37.26 3k1b s TYR 102 CO 0.11 -3.66 0.14 0.20 0.02 0.00 0.00 175.55 172.36 3k1b s GLY 103 N -2.75 1.74 0.45 0.71 0.00 -1.04 -4.82 107.32 101.61 3k1b s GLY 103 Ca 0.68 -1.19 0.18 0.00 0.00 0.00 0.00 44.72 44.39 3k1b s GLY 103 CO 0.63 -1.19 1.93 -0.39 0.00 0.00 0.00 173.10 174.07 3k1b h VAL 104 N 2.08 0.77 -0.01 1.40 -1.51 -1.74 -1.62 116.25 115.62 3k1b h VAL 104 Ca -0.48 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 3k1b h VAL 104 Cb 1.20 0.42 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 3k1b h VAL 104 CO 0.64 0.06 -0.02 0.52 -1.23 0.00 0.00 177.57 177.54 3k1b n VAL 105 N -4.45 0.00 1.26 7.19 0.31 -1.05 -2.79 118.33 118.79 3k1b n VAL 105 Ca 0.14 -0.12 0.12 0.00 -0.01 0.00 0.00 64.34 64.47 3k1b n VAL 105 Cb 0.57 0.01 0.41 0.00 -0.91 0.00 0.00 33.84 33.92 3k1b n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k1b n TYR 106 N -0.47 0.15 -0.20 3.52 9.36 -0.61 -2.58 117.16 126.33 3k1b n TYR 106 Ca 0.20 -0.07 -0.08 0.00 3.32 0.00 0.00 57.90 61.27 3k1b n TYR 106 Cb 0.24 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 39.00 3k1b n TYR 106 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3k1b h ASP 107 N 2.51 1.01 0.00 2.98 5.19 -1.67 0.54 116.42 126.97 3k1b h ASP 107 Ca 0.00 -0.28 -0.04 0.00 -0.62 0.00 0.00 57.03 56.09 3k1b h ASP 107 Cb 0.54 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 3k1b h ASP 107 CO 0.00 1.06 -0.23 0.00 -3.12 0.00 0.00 179.24 176.95 3k1b h ALA 108 N 1.04 0.04 0.00 3.45 0.00 -1.75 -3.31 119.26 118.73 3k1b h ALA 108 Ca 0.17 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3k1b h ALA 108 Cb 0.55 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3k1b h ALA 108 CO 0.03 0.14 -0.12 -0.07 0.00 0.00 0.00 179.25 179.23 3k1b h LEU 109 N -1.00 0.00 0.00 0.00 3.38 -1.56 -2.70 115.31 113.43 3k1b h LEU 109 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3k1b h LEU 109 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3k1b h LEU 109 CO -0.03 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.22 3k1b n GLY 110 N -0.59 -0.84 0.13 0.83 0.00 0.19 -1.99 105.19 102.91 3k1b n GLY 110 Ca -0.02 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.29 3k1b n GLY 110 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k1b n TYR 111 N -2.13 0.42 0.07 1.61 4.01 -1.02 -0.63 117.16 119.49 3k1b n TYR 111 Ca 0.00 0.42 0.01 0.00 -0.16 0.00 0.00 57.90 58.17 3k1b n TYR 111 Cb 0.00 -0.87 -0.01 0.00 -0.31 0.00 0.00 39.34 38.14 3k1b n TYR 111 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3k1b n THR 112 N -3.80 0.00 -1.04 -0.72 -2.24 -0.84 -4.78 114.28 100.87 3k1b n THR 112 Ca 0.15 -0.32 -0.25 0.00 -2.27 0.00 0.00 64.05 61.36 3k1b n THR 112 Cb 0.50 0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 69.46 3k1b n THR 112 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3k1b n ASP 113 N -1.22 0.72 0.00 3.42 2.03 0.20 -4.22 116.55 117.48 3k1b n ASP 113 Ca 0.00 -2.24 0.00 0.00 0.52 0.00 0.00 54.79 53.07 3k1b n ASP 113 Cb 0.04 -0.99 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 3k1b n ASP 113 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3k1b n MET 114 N 7.40 0.13 -0.91 -0.67 2.81 -1.26 -4.91 117.12 119.71 3k1b n MET 114 Ca 0.37 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.92 3k1b n MET 114 Cb 0.43 -0.63 0.03 0.00 -0.71 0.00 0.00 33.22 32.34 3k1b n MET 114 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3k1b n LEU 115 N -1.66 -4.11 0.13 4.03 4.77 -1.26 -4.66 117.00 114.25 3k1b n LEU 115 Ca 0.00 0.08 0.07 0.00 -0.03 0.00 0.00 56.01 56.13 3k1b n LEU 115 Cb 0.13 -0.57 0.36 0.00 -2.33 0.00 0.00 43.42 41.02 3k1b n LEU 115 CO 0.00 -3.88 0.75 -2.65 -1.33 0.00 0.00 177.39 170.29 3k1b n PRO 116 N 2.27 0.09 0.00 3.23 -0.02 -1.26 -4.65 135.00 134.65 3k1b n PRO 116 Ca -0.02 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3k1b n PRO 116 Cb 0.60 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3k1b n PRO 116 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3k1b n GLU 117 N -1.99 0.00 0.00 -0.52 4.07 -1.26 -5.02 120.64 115.92 3k1b n GLU 117 Ca -0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 3k1b n GLU 117 Cb 0.20 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.58 3k1b n GLU 117 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3k1b n PHE 118 N -1.18 0.00 0.00 4.31 3.72 -1.26 -4.98 117.46 118.07 3k1b n PHE 118 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3k1b n PHE 118 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3k1b n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k1b n GLY 119 N 4.74 0.02 3.77 1.37 0.00 -1.26 -4.70 105.19 109.13 3k1b n GLY 119 Ca 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 3k1b n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1b n GLY 120 N 0.00 -0.64 0.08 -0.02 0.00 -1.26 -4.87 105.19 98.47 3k1b n GLY 120 Ca 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 46.02 46.31 3k1b n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k1b h ASP 121 N -1.87 -0.12 0.00 1.61 5.19 -1.96 -3.33 116.42 115.94 3k1b h ASP 121 Ca -0.65 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.77 3k1b h ASP 121 Cb 1.36 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.91 3k1b h ASP 121 CO 0.54 0.11 0.13 0.35 -3.12 0.00 0.00 179.24 177.25 3k1b n THR 122 N -3.48 0.04 -3.20 0.35 -2.24 -1.26 -3.75 114.28 100.74 3k1b n THR 122 Ca -0.02 0.14 -0.38 0.00 -2.27 0.00 0.00 64.05 61.52 3k1b n THR 122 Cb 0.06 -1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 67.13 3k1b n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1b n ALA 123 N -0.68 4.70 -1.24 6.98 0.00 -1.25 -4.91 120.51 124.11 3k1b n ALA 123 Ca 0.00 -4.77 -0.33 0.00 0.00 0.00 0.00 53.44 48.34 3k1b n ALA 123 Cb 0.13 -1.91 0.10 0.00 0.00 0.00 0.00 19.45 17.77 3k1b n ALA 123 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3k1b s TYR 124 N -2.49 2.10 0.52 0.00 2.02 -1.25 -4.64 117.35 113.61 3k1b s TYR 124 Ca 0.33 1.63 -0.10 0.00 -0.37 0.00 0.00 57.07 58.56 3k1b s TYR 124 Cb 0.05 -3.36 -0.05 0.00 -0.40 0.00 0.00 41.96 38.20 3k1b s TYR 124 CO 0.04 -2.43 0.90 -1.12 -1.57 0.00 0.00 175.55 171.37 3k1b s SER 125 N -2.37 6.36 -1.56 2.29 0.01 -1.26 -3.26 113.70 113.90 3k1b s SER 125 Ca 0.70 1.24 0.00 0.00 1.31 0.00 0.00 55.95 59.20 3k1b s SER 125 Cb -0.25 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.60 3k1b s SER 125 CO 0.48 -0.64 0.00 0.47 0.41 0.00 0.00 173.24 173.96 3k1b n ASP 126 N -2.12 -5.23 -3.63 2.44 8.00 0.26 -4.78 116.55 111.49 3k1b n ASP 126 Ca 0.04 0.36 -0.40 0.00 0.71 0.00 0.00 54.79 55.50 3k1b n ASP 126 Cb 0.54 -4.24 0.01 0.00 -0.02 0.00 0.00 41.12 37.41 3k1b n ASP 126 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3k1b n ASP 127 N -1.09 6.93 0.00 -2.24 -0.08 -1.25 -4.58 116.55 114.24 3k1b n ASP 127 Ca -0.15 -3.64 0.00 0.00 -1.51 0.00 0.00 54.79 49.49 3k1b n ASP 127 Cb 0.60 -1.13 0.00 0.00 2.34 0.00 0.00 41.12 42.93 3k1b n ASP 127 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3k1b n PHE 128 N 0.15 0.00 0.46 -0.67 3.72 -1.26 -3.70 117.46 116.16 3k1b n PHE 128 Ca 0.42 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.92 3k1b n PHE 128 Cb 0.28 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.69 3k1b n PHE 128 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3k1b n PHE 129 N 0.00 0.00 0.25 1.38 3.72 -1.26 -4.76 117.46 116.79 3k1b n PHE 129 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 3k1b n PHE 129 Cb 0.00 -0.24 -0.04 0.00 -0.94 0.00 0.00 39.48 38.26 3k1b n PHE 129 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3k1b n VAL 130 N -1.85 0.27 -2.67 -4.37 0.24 -1.24 -1.96 118.33 106.74 3k1b n VAL 130 Ca -0.00 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 3k1b n VAL 130 Cb 0.43 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 3k1b n VAL 130 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k1b n GLY 131 N 1.28 4.83 3.65 7.63 0.00 -1.20 -4.10 105.19 117.28 3k1b n GLY 131 Ca -0.00 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 3k1b n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1b n ARG 132 N 0.00 1.60 -3.62 1.61 1.74 -1.26 -2.49 116.66 114.24 3k1b n ARG 132 Ca 0.00 0.57 -0.15 0.00 -0.77 0.00 0.00 57.85 57.50 3k1b n ARG 132 Cb 0.00 -2.20 -0.07 0.00 -1.02 0.00 0.00 32.46 29.17 3k1b n ARG 132 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3k1b s VAL 133 N -1.24 0.03 0.12 1.55 1.01 -1.19 -0.57 120.40 120.11 3k1b s VAL 133 Ca 0.63 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.37 3k1b s VAL 133 Cb -0.53 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 34.99 3k1b s VAL 133 CO 0.57 -0.14 0.16 0.61 0.00 0.00 0.00 175.10 176.30 3k1b n GLY 134 N 0.83 2.03 4.49 4.51 0.00 -1.26 -2.34 105.19 113.45 3k1b n GLY 134 Ca -0.19 -2.15 -0.40 0.00 0.00 0.00 0.00 46.02 43.27 3k1b n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1b n GLY 135 N 3.52 -0.34 3.63 -0.02 0.00 -1.11 -4.47 105.19 106.40 3k1b n GLY 135 Ca 0.03 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3k1b n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k1b s VAL 136 N -3.47 3.71 -0.20 1.61 -7.23 -1.10 0.21 120.40 113.93 3k1b s VAL 136 Ca 0.67 -1.07 0.01 0.00 -1.81 0.00 0.00 61.98 59.79 3k1b s VAL 136 Cb -0.39 -2.74 0.04 0.00 0.56 0.00 0.00 36.38 33.85 3k1b s VAL 136 CO 1.02 0.16 -0.15 0.00 -0.31 0.00 0.00 175.10 175.82 3k1b s ALA 137 N -1.23 2.25 -0.35 1.32 0.00 -0.39 -2.79 121.76 120.57 3k1b s ALA 137 Ca 0.23 -1.32 -0.11 0.00 0.00 0.00 0.00 51.96 50.76 3k1b s ALA 137 Cb -0.11 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.72 3k1b s ALA 137 CO 0.15 -0.69 0.20 0.99 0.00 0.00 0.00 175.76 176.41 3k1b s THR 138 N 1.29 4.67 -0.21 0.00 2.01 0.93 -2.32 115.64 122.01 3k1b s THR 138 Ca -0.00 -0.66 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 3k1b s THR 138 Cb -0.16 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 3k1b s THR 138 CO -0.10 -0.13 0.13 -0.47 -0.69 0.00 0.00 174.62 173.37 3k1b s TYR 139 N 1.59 3.37 -0.12 4.92 5.04 0.18 -2.39 117.35 129.94 3k1b s TYR 139 Ca 0.03 0.27 0.02 0.00 -2.44 0.00 0.00 57.07 54.96 3k1b s TYR 139 Cb -0.18 -2.18 0.01 0.00 0.35 0.00 0.00 41.96 39.96 3k1b s TYR 139 CO 0.07 0.22 -0.20 1.03 -1.34 0.00 0.00 175.55 175.32 3k1b s ARG 140 N 0.53 2.76 -0.15 4.97 0.52 0.17 0.16 118.95 127.91 3k1b s ARG 140 Ca 0.07 -0.76 -0.06 0.00 -0.52 0.00 0.00 55.73 54.46 3k1b s ARG 140 Cb -0.12 -2.23 -0.04 0.00 0.52 0.00 0.00 34.95 33.08 3k1b s ARG 140 CO -0.00 0.00 0.06 1.21 0.02 0.00 0.00 175.30 176.59 3k1b s ASN 141 N 0.79 5.64 -0.35 0.23 3.04 0.26 -1.19 114.94 123.36 3k1b s ASN 141 Ca -0.09 0.15 -0.09 0.00 0.04 0.00 0.00 52.86 52.87 3k1b s ASN 141 Cb -0.16 -1.87 0.03 0.00 -1.54 0.00 0.00 41.25 37.71 3k1b s ASN 141 CO -0.00 0.26 0.15 -0.44 -3.04 0.00 0.00 177.10 174.03 3k1b s SER 142 N -0.12 5.51 -0.61 -4.21 0.01 -1.26 -2.00 113.70 111.02 3k1b s SER 142 Ca 0.07 -1.01 -0.22 0.00 1.31 0.00 0.00 55.95 56.10 3k1b s SER 142 Cb -0.12 -1.95 0.03 0.00 0.21 0.00 0.00 66.02 64.19 3k1b s SER 142 CO 0.01 -0.34 0.64 0.59 0.41 0.00 0.00 173.24 174.55 3k1b n ASN 143 N 4.91 -5.37 -1.29 2.44 3.02 -1.26 -2.02 115.26 115.70 3k1b n ASN 143 Ca -0.12 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 3k1b n ASN 143 Cb 0.46 -1.87 0.00 0.00 -0.61 0.00 0.00 39.78 37.76 3k1b n ASN 143 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3k1b n PHE 144 N -1.22 0.00 -1.36 3.10 -0.00 0.46 -0.87 117.46 117.56 3k1b n PHE 144 Ca -0.17 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.18 3k1b n PHE 144 Cb 0.68 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 40.12 3k1b n PHE 144 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3k1b n PHE 145 N -0.13 -0.04 -0.33 -5.13 3.72 -1.26 -2.14 117.46 112.15 3k1b n PHE 145 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3k1b n PHE 145 Cb 0.00 -1.88 0.00 0.00 -0.94 0.00 0.00 39.48 36.66 3k1b n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k1b n GLY 146 N -1.76 0.51 0.05 1.37 0.00 -0.05 -4.79 105.19 100.52 3k1b n GLY 146 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 3k1b n GLY 146 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k1b h LEU 147 N 0.00 -0.08 -8.70 0.99 3.38 -1.28 -3.46 115.31 106.16 3k1b h LEU 147 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 3k1b h LEU 147 Cb 0.00 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 40.62 3k1b h LEU 147 CO 0.00 0.02 -0.00 -0.69 0.09 0.00 0.00 178.44 177.86 3k1b s VAL 148 N -1.90 4.97 -0.22 1.22 1.01 -1.21 -4.97 120.40 119.30 3k1b s VAL 148 Ca -0.01 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 61.99 3k1b s VAL 148 Cb 0.00 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 3k1b s VAL 148 CO 0.04 -0.33 0.73 -1.81 0.00 0.00 0.00 175.10 173.72 3k1b s ASP 149 N 1.82 6.76 0.00 3.32 1.01 -1.26 -3.08 116.67 125.24 3k1b s ASP 149 Ca 0.20 0.93 0.00 0.00 0.71 0.00 0.00 52.55 54.39 3k1b s ASP 149 Cb -0.15 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3k1b s ASP 149 CO 0.15 -0.39 0.00 0.61 0.21 0.00 0.00 175.17 175.75 3k1b n GLY 150 N 3.79 1.99 3.51 0.21 0.00 -1.26 -4.95 105.19 108.48 3k1b n GLY 150 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3k1b n GLY 150 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k1b s LEU 151 N 0.00 4.31 -0.08 0.99 2.96 -1.25 -1.89 118.68 123.73 3k1b s LEU 151 Ca 0.00 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 3k1b s LEU 151 Cb 0.00 -2.78 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 3k1b s LEU 151 CO 0.00 -1.09 -0.08 0.20 -1.32 0.00 0.00 176.35 174.06 3k1b s ASN 152 N 2.67 4.55 0.26 3.68 0.01 -0.87 0.17 114.94 125.41 3k1b s ASN 152 Ca 0.27 -0.08 0.10 0.00 -0.71 0.00 0.00 52.86 52.45 3k1b s ASN 152 Cb -0.14 -1.24 -0.05 0.00 0.41 0.00 0.00 41.25 40.23 3k1b s ASN 152 CO 0.18 0.32 -0.09 0.72 -1.51 0.00 0.00 177.10 176.73 3k1b s PHE 153 N -0.56 2.54 0.09 2.20 -0.00 -0.84 0.53 117.98 121.93 3k1b s PHE 153 Ca 0.08 -0.26 0.03 0.00 -0.00 0.00 0.00 56.93 56.78 3k1b s PHE 153 Cb -0.12 -1.13 -0.04 0.00 -0.00 0.00 0.00 43.02 41.74 3k1b s PHE 153 CO 0.02 0.65 -0.09 0.00 -0.00 0.00 0.00 175.22 175.80 3k1b s ALA 154 N -2.33 0.98 -0.08 1.99 0.00 -0.88 0.90 121.76 122.34 3k1b s ALA 154 Ca 0.30 -1.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 3k1b s ALA 154 Cb -0.06 0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.17 3k1b s ALA 154 CO 0.18 -0.10 0.19 0.54 0.00 0.00 0.00 175.76 176.57 3k1b s VAL 155 N -2.63 -0.05 -0.03 0.00 0.11 0.42 -2.25 120.40 115.96 3k1b s VAL 155 Ca 0.05 0.17 0.03 0.00 -2.93 0.00 0.00 61.98 59.30 3k1b s VAL 155 Cb -0.02 -0.30 -0.00 0.00 -1.53 0.00 0.00 36.38 34.53 3k1b s VAL 155 CO -0.01 0.07 -0.13 -1.58 -3.33 0.00 0.00 175.10 170.12 3k1b s GLN 156 N 1.24 1.32 0.34 1.54 0.74 0.51 -0.64 119.66 124.70 3k1b s GLN 156 Ca -0.09 -0.45 0.08 0.00 0.05 0.00 0.00 55.36 54.96 3k1b s GLN 156 Cb -0.11 -1.19 -0.04 0.00 1.10 0.00 0.00 33.01 32.77 3k1b s GLN 156 CO -0.07 0.18 0.11 0.71 -0.55 0.00 0.00 175.29 175.67 3k1b s TYR 157 N 0.09 2.67 -0.22 1.67 2.02 -0.98 0.16 117.35 122.76 3k1b s TYR 157 Ca -0.03 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.24 3k1b s TYR 157 Cb -0.10 -1.61 0.11 0.00 -0.40 0.00 0.00 41.96 39.96 3k1b s TYR 157 CO 0.01 0.37 0.25 -1.17 -1.57 0.00 0.00 175.55 173.44 3k1b s LEU 158 N -3.82 -0.20 0.19 -1.29 2.96 0.66 -1.26 118.68 115.92 3k1b s LEU 158 Ca 0.37 -0.24 -0.32 0.00 -0.22 0.00 0.00 54.13 53.72 3k1b s LEU 158 Cb -0.02 0.50 -0.11 0.00 0.50 0.00 0.00 46.19 47.06 3k1b s LEU 158 CO 0.22 -0.33 1.66 -0.83 -1.32 0.00 0.00 176.35 175.74 3k1b s GLY 159 N 2.36 1.36 0.15 7.98 0.00 0.55 -1.87 107.32 117.85 3k1b s GLY 159 Ca 0.08 1.50 -0.31 0.00 0.00 0.00 0.00 44.72 45.99 3k1b s GLY 159 CO -0.16 2.77 1.74 -1.59 0.00 0.00 0.00 173.10 175.86 3k1b s LYS 160 N 1.17 4.15 -0.55 2.90 -2.85 -1.20 -4.86 119.74 118.49 3k1b s LYS 160 Ca 0.73 2.53 0.05 0.00 -1.00 0.00 0.00 55.97 58.28 3k1b s LYS 160 Cb -0.47 -3.37 0.20 0.00 -2.06 0.00 0.00 37.83 32.12 3k1b s LYS 160 CO 0.32 -0.77 0.50 0.09 0.10 0.00 0.00 175.35 175.59 3k1b n ASN 161 N 4.91 1.59 -4.57 0.03 3.02 -1.05 -5.05 115.26 114.14 3k1b n ASN 161 Ca 0.16 -2.91 -0.31 0.00 -0.03 0.00 0.00 54.58 51.49 3k1b n ASN 161 Cb 0.38 -0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 38.84 3k1b n ASN 161 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3k1b s GLU 162 N -1.14 2.84 0.00 3.52 0.41 -1.26 -3.94 118.70 119.12 3k1b s GLU 162 Ca 0.32 -0.93 0.00 0.00 -0.41 0.00 0.00 54.97 53.95 3k1b s GLU 162 Cb 0.06 -5.23 0.00 0.00 -1.78 0.00 0.00 34.13 27.18 3k1b s GLU 162 CO -0.14 -3.32 0.00 0.54 -0.49 0.00 0.00 175.26 171.85 3k1b n ARG 163 N 8.59 0.81 0.14 1.61 1.74 -1.26 -4.97 116.66 123.32 3k1b n ARG 163 Ca 0.42 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.60 3k1b n ARG 163 Cb 0.47 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.96 3k1b n ARG 163 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3k1b h ASP 164 N 0.00 0.00 -2.96 0.55 3.32 -1.92 -3.47 116.42 111.94 3k1b h ASP 164 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 3k1b h ASP 164 Cb 0.00 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.45 3k1b h ASP 164 CO 0.00 0.09 -0.63 -0.89 -1.72 0.00 0.00 179.24 176.09 3k1b s THR 165 N -3.24 4.05 0.05 0.35 2.01 -1.26 -4.93 115.64 112.66 3k1b s THR 165 Ca 0.02 -1.19 -0.10 0.00 0.31 0.00 0.00 61.69 60.73 3k1b s THR 165 Cb 0.08 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 3k1b s THR 165 CO 0.75 -0.04 1.09 0.00 -0.69 0.00 0.00 174.62 175.73 3k1b n ALA 166 N 0.02 -0.21 0.70 7.40 0.00 -1.26 -3.12 120.51 124.03 3k1b n ALA 166 Ca -0.09 0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.74 3k1b n ALA 166 Cb 0.54 0.24 0.47 0.00 0.00 0.00 0.00 19.45 20.70 3k1b n ALA 166 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3k1b n ARG 167 N -3.73 0.07 -0.21 0.00 3.00 -1.26 -2.91 116.66 111.62 3k1b n ARG 167 Ca 0.01 0.17 0.06 0.00 -0.00 0.00 0.00 57.85 58.09 3k1b n ARG 167 Cb 0.09 -1.60 0.17 0.00 0.00 0.00 0.00 32.46 31.12 3k1b n ARG 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3k1b n ARG 168 N -1.72 2.88 -2.92 -0.14 5.12 -1.18 -4.72 116.66 113.98 3k1b n ARG 168 Ca 0.05 -2.14 -0.19 0.00 -1.93 0.00 0.00 57.85 53.64 3k1b n ARG 168 Cb 0.29 -1.32 0.03 0.00 -1.16 0.00 0.00 32.46 30.29 3k1b n ARG 168 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3k1b s SER 169 N -1.05 5.42 -0.30 0.55 0.01 -1.15 -4.67 113.70 112.52 3k1b s SER 169 Ca 0.26 -0.41 -0.18 0.00 1.31 0.00 0.00 55.95 56.94 3k1b s SER 169 Cb 0.14 -0.51 0.20 0.00 0.21 0.00 0.00 66.02 66.07 3k1b s SER 169 CO 0.17 -0.99 1.27 0.54 0.41 0.00 0.00 173.24 174.63 3k1b s ASN 170 N -4.44 -0.08 0.00 2.44 6.03 -1.25 -4.69 114.94 112.95 3k1b s ASN 170 Ca 0.57 0.12 0.00 0.00 -1.03 0.00 0.00 52.86 52.53 3k1b s ASN 170 Cb -0.09 1.07 0.00 0.00 -3.03 0.00 0.00 41.25 39.20 3k1b s ASN 170 CO 0.36 -0.02 0.00 0.61 -2.03 0.00 0.00 177.10 176.02 3k1b n GLY 171 N 3.95 -1.39 3.43 0.45 0.00 -0.54 -2.52 105.19 108.56 3k1b n GLY 171 Ca -0.11 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 3k1b n GLY 171 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k1b s ASP 172 N -1.63 3.57 0.04 1.61 1.01 -1.26 -3.27 116.67 116.74 3k1b s ASP 172 Ca 0.00 -0.62 0.06 0.00 0.71 0.00 0.00 52.55 52.69 3k1b s ASP 172 Cb 0.00 -0.39 -0.02 0.00 1.01 0.00 0.00 42.92 43.51 3k1b s ASP 172 CO 0.00 0.20 -0.17 -0.83 0.21 0.00 0.00 175.17 174.58 3k1b s GLY 173 N -1.93 0.94 0.19 0.21 0.00 -0.78 -1.31 107.32 104.63 3k1b s GLY 173 Ca 0.15 -0.93 0.08 0.00 0.00 0.00 0.00 44.72 44.02 3k1b s GLY 173 CO 0.07 -0.88 -0.15 0.14 0.00 0.00 0.00 173.10 172.28 3k1b s VAL 174 N -0.81 1.72 0.00 1.40 1.01 -1.23 -0.25 120.40 122.24 3k1b s VAL 174 Ca 0.04 -2.09 0.00 0.00 0.00 0.00 0.00 61.98 59.94 3k1b s VAL 174 Cb -0.08 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.36 3k1b s VAL 174 CO 0.01 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.22 3k1b n GLY 175 N -0.12 -0.13 0.00 4.51 0.00 0.42 -3.22 105.19 106.66 3k1b n GLY 175 Ca -0.10 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3k1b n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1b n GLY 176 N -0.04 0.37 3.07 -0.02 0.00 -1.15 0.19 105.19 107.61 3k1b n GLY 176 Ca 0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 3k1b n GLY 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k1b s SER 177 N 0.00 0.46 -0.11 1.61 1.04 -0.96 -1.89 113.70 113.86 3k1b s SER 177 Ca 0.00 -0.90 -0.04 0.00 0.48 0.00 0.00 55.95 55.50 3k1b s SER 177 Cb 0.00 0.18 0.05 0.00 0.10 0.00 0.00 66.02 66.35 3k1b s SER 177 CO 0.00 -0.53 0.11 -0.63 0.98 0.00 0.00 173.24 173.17 3k1b s ILE 178 N -3.40 -0.16 -0.32 -1.02 1.01 -0.18 -2.07 121.20 115.06 3k1b s ILE 178 Ca 0.02 0.14 -0.00 0.00 0.00 0.00 0.00 60.65 60.82 3k1b s ILE 178 Cb 0.04 -0.39 0.07 0.00 0.01 0.00 0.00 42.46 42.19 3k1b s ILE 178 CO -0.08 -0.03 0.02 -0.94 0.00 0.00 0.00 174.94 173.91 3k1b s SER 179 N 2.20 4.84 -0.28 3.58 1.04 0.19 -2.67 113.70 122.60 3k1b s SER 179 Ca 0.04 -1.58 -0.08 0.00 0.48 0.00 0.00 55.95 54.81 3k1b s SER 179 Cb -0.14 -1.69 -0.01 0.00 0.10 0.00 0.00 66.02 64.28 3k1b s SER 179 CO -0.07 -0.32 0.10 -0.47 0.98 0.00 0.00 173.24 173.47 3k1b s TYR 180 N 1.14 3.13 -0.37 5.02 6.04 0.27 -2.05 117.35 130.54 3k1b s TYR 180 Ca -0.01 -0.57 0.02 0.00 0.04 0.00 0.00 57.07 56.55 3k1b s TYR 180 Cb -0.20 -2.29 0.10 0.00 -1.04 0.00 0.00 41.96 38.53 3k1b s TYR 180 CO -0.04 -0.43 0.10 -1.21 -1.54 0.00 0.00 175.55 172.43 3k1b s GLU 181 N 1.60 1.64 -0.70 4.97 0.41 -0.79 0.35 118.70 126.18 3k1b s GLU 181 Ca 0.05 -1.89 -0.00 0.00 -0.41 0.00 0.00 54.97 52.71 3k1b s GLU 181 Cb -0.16 -3.32 0.17 0.00 -1.78 0.00 0.00 34.13 29.04 3k1b s GLU 181 CO 0.05 -0.98 0.52 -0.47 -0.49 0.00 0.00 175.26 173.88 3k1b s TYR 182 N 0.92 3.53 -0.01 1.61 5.04 0.88 -4.71 117.35 124.60 3k1b s TYR 182 Ca 0.11 -2.97 -0.01 0.00 -2.44 0.00 0.00 57.07 51.76 3k1b s TYR 182 Cb -0.20 -3.08 0.00 0.00 0.35 0.00 0.00 41.96 39.03 3k1b s TYR 182 CO -0.07 -0.75 0.01 -1.91 -1.34 0.00 0.00 175.55 171.49 3k1b n GLU 183 N 2.87 -1.18 0.00 4.97 2.13 -1.26 -3.12 120.64 125.05 3k1b n GLU 183 Ca 0.13 1.23 0.00 0.00 0.66 0.00 0.00 57.16 59.18 3k1b n GLU 183 Cb 0.36 -1.13 0.00 0.00 0.27 0.00 0.00 31.44 30.95 3k1b n GLU 183 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k1b n GLY 184 N 2.11 1.89 3.90 8.31 0.00 -1.25 -4.98 105.19 115.16 3k1b n GLY 184 Ca -0.02 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 3k1b n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k1b s PHE 185 N -0.40 3.53 -0.06 1.61 0.08 -1.18 0.24 117.98 121.79 3k1b s PHE 185 Ca 0.00 0.35 -0.01 0.00 0.12 0.00 0.00 56.93 57.39 3k1b s PHE 185 Cb 0.00 -1.82 0.03 0.00 -0.57 0.00 0.00 43.02 40.66 3k1b s PHE 185 CO 0.00 0.64 -0.01 0.20 -0.10 0.00 0.00 175.22 175.95 3k1b s GLY 186 N -1.93 0.43 -0.17 4.36 0.00 0.16 -0.09 107.32 110.09 3k1b s GLY 186 Ca 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 44.72 44.91 3k1b s GLY 186 CO 0.19 0.94 -0.07 -1.50 0.00 0.00 0.00 173.10 172.65 3k1b s ILE 187 N 1.65 3.42 0.04 0.90 2.07 0.15 -2.14 121.20 127.29 3k1b s ILE 187 Ca -0.00 -0.51 0.02 0.00 -1.41 0.00 0.00 60.65 58.75 3k1b s ILE 187 Cb -0.13 -2.49 -0.02 0.00 0.13 0.00 0.00 42.46 39.95 3k1b s ILE 187 CO -0.04 0.48 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.71 3k1b s VAL 188 N 0.70 0.57 0.06 4.00 1.01 -0.02 0.97 120.40 127.69 3k1b s VAL 188 Ca -0.04 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 3k1b s VAL 188 Cb -0.15 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 3k1b s VAL 188 CO 0.02 -0.29 0.11 -0.83 0.00 0.00 0.00 175.10 174.12 3k1b s GLY 189 N -1.37 0.19 -0.30 4.51 0.00 -1.09 -1.11 107.32 108.16 3k1b s GLY 189 Ca -0.07 -0.68 -0.24 0.00 0.00 0.00 0.00 44.72 43.72 3k1b s GLY 189 CO 0.00 -0.84 1.42 0.00 0.00 0.00 0.00 173.10 173.69 3k1b s ALA 190 N -3.33 -2.28 0.00 3.20 0.00 -1.20 -1.01 121.76 117.15 3k1b s ALA 190 Ca 0.01 1.71 0.00 0.00 0.00 0.00 0.00 51.96 53.69 3k1b s ALA 190 Cb 0.03 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.34 3k1b s ALA 190 CO -0.08 -0.12 0.00 0.98 0.00 0.00 0.00 175.76 176.54 3k1b n TYR 191 N 1.77 0.00 -3.85 0.00 9.36 -0.79 -2.71 117.16 120.94 3k1b n TYR 191 Ca -0.11 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.01 3k1b n TYR 191 Cb 0.57 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.19 3k1b n TYR 191 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3k1b s GLY 192 N 0.00 0.04 0.30 2.98 0.00 -1.23 -2.93 107.32 106.49 3k1b s GLY 192 Ca 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 44.72 44.46 3k1b s GLY 192 CO 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 173.10 172.61 3k1b s ALA 193 N -2.64 2.34 0.36 3.20 0.00 -1.20 -3.18 121.76 120.64 3k1b s ALA 193 Ca -0.04 -1.98 -0.08 0.00 0.00 0.00 0.00 51.96 49.86 3k1b s ALA 193 Cb -0.01 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.56 3k1b s ALA 193 CO -0.04 -0.20 0.60 0.00 0.00 0.00 0.00 175.76 176.12 3k1b s ALA 194 N -3.16 0.14 0.62 0.00 0.00 -0.92 -3.56 121.76 114.88 3k1b s ALA 194 Ca 0.33 -1.20 -0.18 0.00 0.00 0.00 0.00 51.96 50.91 3k1b s ALA 194 Cb 0.06 0.96 -0.02 0.00 0.00 0.00 0.00 23.12 24.12 3k1b s ALA 194 CO 0.13 -0.87 1.23 -0.51 0.00 0.00 0.00 175.76 175.74 3k1b s ASP 195 N -3.17 4.96 0.17 0.00 1.11 -0.43 -2.85 116.67 116.46 3k1b s ASP 195 Ca 0.24 2.45 0.03 0.00 0.18 0.00 0.00 52.55 55.44 3k1b s ASP 195 Cb -0.02 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 3k1b s ASP 195 CO 0.17 -1.75 0.31 -0.13 1.18 0.00 0.00 175.17 174.94 3k1b s ARG 196 N -3.39 3.45 0.10 8.23 0.52 -1.00 -1.47 118.95 125.38 3k1b s ARG 196 Ca 0.79 -0.60 -0.02 0.00 -0.52 0.00 0.00 55.73 55.37 3k1b s ARG 196 Cb -0.32 -2.94 -0.05 0.00 0.52 0.00 0.00 34.95 32.16 3k1b s ARG 196 CO 0.36 0.50 0.29 0.95 0.02 0.00 0.00 175.30 177.41 3k1b s THR 197 N -1.79 5.29 0.03 0.02 -4.23 -1.26 -4.68 115.64 109.01 3k1b s THR 197 Ca 0.35 -0.22 -0.03 0.00 -1.18 0.00 0.00 61.69 60.61 3k1b s THR 197 Cb -0.11 -3.63 0.03 0.00 1.34 0.00 0.00 72.50 70.12 3k1b s THR 197 CO 0.29 0.08 0.20 0.59 -0.54 0.00 0.00 174.62 175.24 3k1b n ASN 198 N 0.15 -0.09 0.00 3.99 3.02 -1.26 0.35 115.26 121.41 3k1b n ASN 198 Ca -0.04 0.23 0.03 0.00 -0.03 0.00 0.00 54.58 54.77 3k1b n ASN 198 Cb 0.51 -0.05 0.17 0.00 -0.61 0.00 0.00 39.78 39.80 3k1b n ASN 198 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3k1b n LEU 199 N -4.19 0.00 -0.04 3.41 7.94 -1.26 0.34 117.00 123.21 3k1b n LEU 199 Ca 0.01 0.19 -0.04 0.00 -1.11 0.00 0.00 56.01 55.07 3k1b n LEU 199 Cb 0.05 -0.19 -0.01 0.00 0.53 0.00 0.00 43.42 43.79 3k1b n LEU 199 CO -0.02 -0.15 -0.29 0.00 -1.11 0.00 0.00 177.39 175.82 3k1b n GLN 200 N -1.19 0.22 -0.27 1.96 6.02 1.08 -4.48 117.38 120.72 3k1b n GLN 200 Ca 0.04 0.09 0.11 0.00 -0.01 0.00 0.00 57.00 57.23 3k1b n GLN 200 Cb 0.04 -0.86 0.22 0.00 1.02 0.00 0.00 30.24 30.66 3k1b n GLN 200 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3k1b n GLU 201 N -3.38 -0.06 0.00 -1.09 -0.58 -0.43 0.18 120.64 115.28 3k1b n GLU 201 Ca -0.06 1.18 0.00 0.00 -0.42 0.00 0.00 57.16 57.86 3k1b n GLU 201 Cb 0.22 -1.87 0.00 0.00 -0.57 0.00 0.00 31.44 29.22 3k1b n GLU 201 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3k1b n ALA 202 N -3.29 1.99 -2.09 0.62 0.00 1.04 -4.77 120.51 114.02 3k1b n ALA 202 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.39 3k1b n ALA 202 Cb 0.59 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 19.08 3k1b n ALA 202 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3k1b s GLN 203 N -1.93 2.70 -0.02 0.00 -1.52 0.48 -5.01 119.66 114.35 3k1b s GLN 203 Ca 0.00 -0.48 -0.24 0.00 -1.95 0.00 0.00 55.36 52.68 3k1b s GLN 203 Cb 0.00 -2.42 -0.18 0.00 -0.22 0.00 0.00 33.01 30.19 3k1b s GLN 203 CO 0.00 -0.67 1.14 -1.00 -0.25 0.00 0.00 175.29 174.51 3k1b h PRO 204 N 0.02 -0.16 -5.09 2.91 0.13 -1.86 -3.41 132.00 124.53 3k1b h PRO 204 Ca -0.44 0.01 -0.66 0.00 -0.87 0.00 0.00 66.00 64.04 3k1b h PRO 204 Cb 1.28 0.04 -0.17 0.00 0.13 0.00 0.00 31.00 32.28 3k1b h PRO 204 CO 0.56 0.27 -0.12 -0.51 -0.23 0.00 0.00 178.00 177.97 3k1b s LEU 205 N -9.22 4.54 0.00 1.56 1.43 -1.19 -4.88 118.68 110.91 3k1b s LEU 205 Ca -0.15 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 3k1b s LEU 205 Cb 0.01 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.74 3k1b s LEU 205 CO 0.58 -0.52 0.00 0.61 0.23 0.00 0.00 176.35 177.25 3k1b n GLY 206 N 4.95 2.95 2.94 -3.19 0.00 -1.17 0.24 105.19 111.91 3k1b n GLY 206 Ca -0.06 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 3k1b n GLY 206 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3k1b s ASN 207 N 0.00 4.32 -0.01 1.61 0.01 -1.26 -4.88 114.94 114.73 3k1b s ASN 207 Ca 0.00 -2.87 -0.30 0.00 -0.71 0.00 0.00 52.86 48.98 3k1b s ASN 207 Cb 0.00 -1.59 0.12 0.00 0.41 0.00 0.00 41.25 40.19 3k1b s ASN 207 CO 0.00 -0.25 1.25 -0.83 -1.51 0.00 0.00 177.10 175.75 3k1b s GLY 208 N -0.08 -0.39 -0.05 0.66 0.00 -1.26 -4.87 107.32 101.34 3k1b s GLY 208 Ca 0.16 0.70 0.19 0.00 0.00 0.00 0.00 44.72 45.78 3k1b s GLY 208 CO -0.01 0.14 0.39 0.28 0.00 0.00 0.00 173.10 173.89 3k1b n LYS 209 N -0.46 0.65 -3.58 2.90 5.02 -1.26 -4.81 118.16 116.61 3k1b n LYS 209 Ca -0.08 -0.16 -0.07 0.00 -2.02 0.00 0.00 58.31 55.98 3k1b n LYS 209 Cb 0.62 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 34.08 3k1b n LYS 209 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3k1b s LYS 210 N -3.25 0.37 0.29 1.97 2.20 -1.26 -2.38 119.74 117.67 3k1b s LYS 210 Ca -0.07 1.00 -0.00 0.00 -0.36 0.00 0.00 55.97 56.53 3k1b s LYS 210 Cb 0.12 0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.67 3k1b s LYS 210 CO 0.81 -0.33 0.49 0.00 -0.36 0.00 0.00 175.35 175.96 3k1b s ALA 211 N 2.65 3.74 -0.12 3.13 0.00 -1.13 -4.85 121.76 125.17 3k1b s ALA 211 Ca 0.01 -0.87 -0.05 0.00 0.00 0.00 0.00 51.96 51.05 3k1b s ALA 211 Cb -0.13 -2.07 0.06 0.00 0.00 0.00 0.00 23.12 20.98 3k1b s ALA 211 CO -0.14 0.15 0.26 -1.21 0.00 0.00 0.00 175.76 174.81 3k1b s GLU 212 N -3.94 0.18 -0.04 0.00 2.02 0.16 -2.16 118.70 114.92 3k1b s GLU 212 Ca 0.40 0.66 0.04 0.00 0.02 0.00 0.00 54.97 56.09 3k1b s GLU 212 Cb -0.10 -0.07 -0.02 0.00 0.10 0.00 0.00 34.13 34.03 3k1b s GLU 212 CO 0.33 -0.23 -0.16 -0.65 0.02 0.00 0.00 175.26 174.56 3k1b s GLN 213 N 1.92 2.42 0.08 1.61 -0.21 -1.19 0.16 119.66 124.45 3k1b s GLN 213 Ca -0.03 -0.74 -0.09 0.00 0.02 0.00 0.00 55.36 54.52 3k1b s GLN 213 Cb -0.11 -2.31 -0.00 0.00 1.00 0.00 0.00 33.01 31.58 3k1b s GLN 213 CO -0.09 0.61 0.19 1.67 -2.12 0.00 0.00 175.29 175.55 3k1b s TRP 214 N -0.71 0.15 0.20 0.91 1.48 -0.09 -3.47 118.94 117.40 3k1b s TRP 214 Ca 0.11 -0.57 -0.15 0.00 -1.06 0.00 0.00 56.10 54.44 3k1b s TRP 214 Cb -0.10 -0.06 0.01 0.00 -1.16 0.00 0.00 33.47 32.16 3k1b s TRP 214 CO 0.00 -0.53 0.46 0.00 -4.06 0.00 0.00 176.95 172.82 3k1b s ALA 215 N -3.78 -0.60 -0.18 2.67 0.00 -1.10 -0.66 121.76 118.12 3k1b s ALA 215 Ca 0.04 -0.49 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 3k1b s ALA 215 Cb 0.05 0.88 0.13 0.00 0.00 0.00 0.00 23.12 24.18 3k1b s ALA 215 CO -0.11 -0.78 1.01 0.95 0.00 0.00 0.00 175.76 176.84 3k1b s THR 216 N -3.92 0.00 -0.10 0.00 -4.23 -0.46 -3.23 115.64 103.70 3k1b s THR 216 Ca 0.13 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.61 3k1b s THR 216 Cb 0.00 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.88 3k1b s THR 216 CO -0.00 0.00 0.06 -0.83 -0.54 0.00 0.00 174.62 173.31 3k1b s GLY 217 N -0.94 0.34 -0.18 3.99 0.00 -0.26 -0.08 107.32 110.20 3k1b s GLY 217 Ca -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 44.72 44.60 3k1b s GLY 217 CO 0.00 1.45 -0.08 1.08 0.00 0.00 0.00 173.10 175.55 3k1b s LEU 218 N 2.10 2.82 -0.29 0.66 1.43 -0.95 -0.84 118.68 123.61 3k1b s LEU 218 Ca 0.04 -0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 52.67 3k1b s LEU 218 Cb -0.14 -1.68 0.12 0.00 0.03 0.00 0.00 46.19 44.52 3k1b s LEU 218 CO -0.06 0.06 0.63 -1.59 0.23 0.00 0.00 176.35 175.62 3k1b s LYS 219 N 0.96 0.56 -0.23 1.70 0.00 -0.91 -1.24 119.74 120.58 3k1b s LYS 219 Ca -0.01 1.39 -0.08 0.00 0.00 0.00 0.00 55.97 57.27 3k1b s LYS 219 Cb -0.15 0.75 -0.04 0.00 0.00 0.00 0.00 37.83 38.40 3k1b s LYS 219 CO -0.00 -0.20 0.09 -0.47 0.00 0.00 0.00 175.35 174.77 3k1b s TYR 220 N 2.76 3.18 -0.36 1.78 5.04 0.27 -0.66 117.35 129.36 3k1b s TYR 220 Ca -0.06 -0.10 0.02 0.00 -2.44 0.00 0.00 57.07 54.49 3k1b s TYR 220 Cb -0.11 -2.20 0.15 0.00 0.35 0.00 0.00 41.96 40.15 3k1b s TYR 220 CO -0.18 -0.10 0.34 0.34 -1.34 0.00 0.00 175.55 174.60 3k1b s ASP 221 N 1.10 1.55 -0.14 4.32 2.15 0.66 -2.43 116.67 123.89 3k1b s ASP 221 Ca 0.05 -1.56 -0.33 0.00 0.43 0.00 0.00 52.55 51.13 3k1b s ASP 221 Cb -0.14 0.39 0.13 0.00 -0.30 0.00 0.00 42.92 43.00 3k1b s ASP 221 CO 0.04 -0.29 1.14 0.00 -0.17 0.00 0.00 175.17 175.89 3k1b s ALA 222 N 1.51 -2.02 -0.00 3.66 0.00 -1.18 -3.97 121.76 119.75 3k1b s ALA 222 Ca 0.16 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.52 3k1b s ALA 222 Cb -0.16 0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3k1b s ALA 222 CO -0.07 -0.65 0.00 0.09 0.00 0.00 0.00 175.76 175.13 3k1b n ASN 223 N -0.15 -3.03 0.00 0.00 5.03 -1.26 -2.11 115.26 113.74 3k1b n ASN 223 Ca -0.02 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.43 3k1b n ASN 223 Cb 0.59 -0.54 0.00 0.00 -1.02 0.00 0.00 39.78 38.82 3k1b n ASN 223 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3k1b n ASN 224 N 0.12 -1.95 -4.41 6.41 4.13 -1.26 -4.95 115.26 113.34 3k1b n ASN 224 Ca -0.00 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.87 3k1b n ASN 224 Cb 0.01 -0.33 -0.12 0.00 -1.54 0.00 0.00 39.78 37.80 3k1b n ASN 224 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3k1b s ILE 225 N -2.65 4.48 -0.30 2.41 -5.25 -0.89 -2.46 121.20 116.54 3k1b s ILE 225 Ca 0.00 -0.53 -0.11 0.00 -0.99 0.00 0.00 60.65 59.02 3k1b s ILE 225 Cb 0.00 -3.32 -0.04 0.00 2.95 0.00 0.00 42.46 42.05 3k1b s ILE 225 CO 0.00 0.03 0.20 -0.47 -1.79 0.00 0.00 174.94 172.91 3k1b s TYR 226 N 1.58 3.22 -0.04 1.37 6.04 -0.91 -3.10 117.35 125.52 3k1b s TYR 226 Ca 0.04 0.00 0.01 0.00 0.04 0.00 0.00 57.07 57.16 3k1b s TYR 226 Cb -0.17 -2.40 0.02 0.00 -1.04 0.00 0.00 41.96 38.37 3k1b s TYR 226 CO 0.06 -0.23 -0.03 -0.51 -1.54 0.00 0.00 175.55 173.30 3k1b s LEU 227 N 1.74 1.27 -0.07 6.97 1.43 -1.02 -1.21 118.68 127.80 3k1b s LEU 227 Ca 0.07 -0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 52.87 3k1b s LEU 227 Cb -0.16 -0.39 0.04 0.00 0.03 0.00 0.00 46.19 45.71 3k1b s LEU 227 CO 0.11 -0.07 0.45 0.00 0.23 0.00 0.00 176.35 177.07 3k1b s ALA 228 N 0.96 -1.14 0.04 4.21 0.00 -1.12 0.95 121.76 125.65 3k1b s ALA 228 Ca -0.11 0.87 0.03 0.00 0.00 0.00 0.00 51.96 52.76 3k1b s ALA 228 Cb -0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3k1b s ALA 228 CO -0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 175.76 175.38 3k1b s ALA 229 N -0.83 0.76 0.29 0.00 0.00 -0.37 -1.71 121.76 119.90 3k1b s ALA 229 Ca -0.09 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.24 3k1b s ALA 229 Cb -0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3k1b s ALA 229 CO 0.05 0.08 0.20 -0.80 0.00 0.00 0.00 175.76 175.29 3k1b s ASN 230 N -1.22 5.28 -0.16 0.00 -0.87 -0.90 -2.24 114.94 114.83 3k1b s ASN 230 Ca -0.04 -0.41 -0.15 0.00 -1.57 0.00 0.00 52.86 50.69 3k1b s ASN 230 Cb -0.08 -1.16 0.04 0.00 -0.02 0.00 0.00 41.25 40.03 3k1b s ASN 230 CO 0.01 -0.15 0.44 -0.47 -2.57 0.00 0.00 177.10 174.36 3k1b s TYR 231 N -2.23 -0.48 0.07 2.20 6.04 0.89 -3.41 117.35 120.43 3k1b s TYR 231 Ca 0.36 1.16 -0.17 0.00 0.04 0.00 0.00 57.07 58.45 3k1b s TYR 231 Cb -0.07 0.17 0.06 0.00 -1.04 0.00 0.00 41.96 41.08 3k1b s TYR 231 CO 0.25 -0.24 0.81 0.41 -1.54 0.00 0.00 175.55 175.24 3k1b n GLY 232 N 2.78 0.61 3.33 8.97 0.00 -1.01 -1.36 105.19 118.52 3k1b n GLY 232 Ca -0.14 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 3k1b n GLY 232 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k1b n GLU 233 N -0.58 0.84 -4.29 1.61 1.02 0.17 -0.40 120.64 119.02 3k1b n GLU 233 Ca 0.00 -2.39 -0.15 0.00 -0.02 0.00 0.00 57.16 54.60 3k1b n GLU 233 Cb 0.42 2.57 -0.10 0.00 -0.02 0.00 0.00 31.44 34.31 3k1b n GLU 233 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3k1b s THR 234 N -2.51 0.92 -0.26 2.62 -4.23 -1.20 -0.91 115.64 110.07 3k1b s THR 234 Ca 0.22 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.73 3k1b s THR 234 Cb -0.03 -2.21 0.06 0.00 1.34 0.00 0.00 72.50 71.66 3k1b s THR 234 CO 0.16 -0.42 -0.07 -0.60 -0.54 0.00 0.00 174.62 173.14 3k1b s ARG 235 N -3.87 1.92 -1.12 3.99 6.06 0.42 -3.98 118.95 122.38 3k1b s ARG 235 Ca 0.26 -1.24 -0.00 0.00 -2.50 0.00 0.00 55.73 52.24 3k1b s ARG 235 Cb 0.05 -2.78 -0.00 0.00 0.06 0.00 0.00 34.95 32.28 3k1b s ARG 235 CO 0.06 -0.61 0.93 0.09 -2.50 0.00 0.00 175.30 173.27 3k1b n ASN 236 N 4.52 -2.36 0.00 -2.12 3.02 0.48 -0.66 115.26 118.14 3k1b n ASN 236 Ca -0.12 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 3k1b n ASN 236 Cb 0.43 -4.85 0.00 0.00 -0.61 0.00 0.00 39.78 34.74 3k1b n ASN 236 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k1b n ALA 237 N -3.88 2.12 -2.05 5.41 0.00 -1.22 -4.43 120.51 116.46 3k1b n ALA 237 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 3k1b n ALA 237 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.08 3k1b n ALA 237 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3k1b s THR 238 N -1.12 3.13 -0.41 0.00 2.01 -1.26 -4.90 115.64 113.09 3k1b s THR 238 Ca 0.00 0.87 -0.27 0.00 0.31 0.00 0.00 61.69 62.60 3k1b s THR 238 Cb 0.00 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.98 3k1b s THR 238 CO 0.00 0.10 1.01 -2.16 -0.69 0.00 0.00 174.62 172.88 3k1b s PRO 239 N 0.44 3.77 0.10 4.92 0.04 -1.26 -1.77 135.00 141.24 3k1b s PRO 239 Ca 0.61 0.55 0.09 0.00 0.04 0.00 0.00 61.00 62.29 3k1b s PRO 239 Cb -0.38 -3.85 -0.03 0.00 0.04 0.00 0.00 34.50 30.28 3k1b s PRO 239 CO 0.35 -1.13 -0.23 0.96 0.04 0.00 0.00 177.00 177.00 3k1b s ILE 240 N 3.84 1.86 -0.04 0.56 -4.36 -0.51 -4.98 121.20 117.57 3k1b s ILE 240 Ca 0.42 -1.54 0.06 0.00 -0.26 0.00 0.00 60.65 59.32 3k1b s ILE 240 Cb -0.10 -1.66 -0.02 0.00 1.25 0.00 0.00 42.46 41.93 3k1b s ILE 240 CO 0.24 0.03 -0.22 -0.89 0.24 0.00 0.00 174.94 174.33 3k1b s THR 241 N -1.07 2.35 -0.48 8.37 2.01 -1.26 -3.65 115.64 121.91 3k1b s THR 241 Ca 0.09 -0.98 -0.09 0.00 0.31 0.00 0.00 61.69 61.01 3k1b s THR 241 Cb -0.10 -1.86 0.12 0.00 0.01 0.00 0.00 72.50 70.67 3k1b s THR 241 CO 0.04 0.58 0.35 0.21 -0.69 0.00 0.00 174.62 175.11 3k1b s ASN 242 N -0.49 5.69 0.00 3.53 2.47 -0.11 -4.55 114.94 121.47 3k1b s ASN 242 Ca 0.06 -1.95 0.28 0.00 0.42 0.00 0.00 52.86 51.68 3k1b s ASN 242 Cb -0.11 -2.00 1.28 0.00 -1.45 0.00 0.00 41.25 38.96 3k1b s ASN 242 CO 0.01 -0.68 1.93 0.29 -3.72 0.00 0.00 177.10 174.93 3k1b n LYS 243 N 4.86 0.12 0.00 0.43 5.02 -0.94 -1.20 118.16 126.45 3k1b n LYS 243 Ca -0.07 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3k1b n LYS 243 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 3k1b n LYS 243 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3k1b n PHE 244 N -1.44 0.00 0.00 2.13 3.72 -1.26 -4.26 117.46 116.35 3k1b n PHE 244 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 3k1b n PHE 244 Cb 0.30 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 3k1b n PHE 244 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3k1b n THR 245 N 0.00 0.00 -3.84 4.37 -2.24 -1.26 -4.46 114.28 106.86 3k1b n THR 245 Ca 0.00 0.28 -0.26 0.00 -2.27 0.00 0.00 64.05 61.81 3k1b n THR 245 Cb 0.00 -0.89 0.02 0.00 -2.10 0.00 0.00 70.33 67.36 3k1b n THR 245 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3k1b n ASN 246 N -0.59 -2.27 -4.81 3.42 5.03 -0.34 -4.97 115.26 110.73 3k1b n ASN 246 Ca 0.00 -0.85 -0.37 0.00 0.87 0.00 0.00 54.58 54.24 3k1b n ASN 246 Cb 0.28 -3.77 -0.07 0.00 -1.02 0.00 0.00 39.78 35.20 3k1b n ASN 246 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3k1b s THR 247 N -3.58 5.34 0.26 3.41 2.01 -0.69 -4.97 115.64 117.41 3k1b s THR 247 Ca 0.25 0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.69 3k1b s THR 247 Cb -0.13 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 3k1b s THR 247 CO 0.84 0.52 0.21 -0.44 -0.69 0.00 0.00 174.62 175.06 3k1b s SER 248 N -0.43 0.73 0.00 3.53 0.01 -1.26 -0.94 113.70 115.35 3k1b s SER 248 Ca 0.16 -1.51 0.00 0.00 1.31 0.00 0.00 55.95 55.91 3k1b s SER 248 Cb -0.13 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.56 3k1b s SER 248 CO 0.05 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.36 3k1b n GLY 249 N -0.42 0.70 3.59 3.44 0.00 -1.24 -3.20 105.19 108.07 3k1b n GLY 249 Ca 0.04 -1.58 -0.27 0.00 0.00 0.00 0.00 46.02 44.21 3k1b n GLY 249 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k1b s PHE 250 N -3.93 2.02 -0.20 1.61 0.40 0.67 -1.43 117.98 117.11 3k1b s PHE 250 Ca 0.00 -0.97 -0.08 0.00 -0.60 0.00 0.00 56.93 55.28 3k1b s PHE 250 Cb 0.00 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 3k1b s PHE 250 CO 0.00 0.09 0.08 0.00 0.70 0.00 0.00 175.22 176.09 3k1b s ALA 251 N -3.03 3.40 0.33 5.36 0.00 -0.73 -3.07 121.76 124.02 3k1b s ALA 251 Ca 0.24 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.44 3k1b s ALA 251 Cb 0.06 -2.02 0.59 0.00 0.00 0.00 0.00 23.12 21.75 3k1b s ALA 251 CO 0.12 -0.01 1.80 -0.91 0.00 0.00 0.00 175.76 176.76 3k1b h ASN 252 N 7.11 0.26 -3.61 0.00 2.35 -1.86 0.14 115.58 119.96 3k1b h ASN 252 Ca -0.37 -0.08 -0.18 0.00 -0.55 0.00 0.00 56.30 55.12 3k1b h ASN 252 Cb 1.17 -0.07 -0.27 0.00 0.05 0.00 0.00 38.32 39.20 3k1b h ASN 252 CO 0.67 0.53 -0.45 -0.75 -1.65 0.00 0.00 177.43 175.78 3k1b s LYS 253 N -4.43 0.26 0.03 0.81 2.36 -1.00 -3.39 119.74 114.39 3k1b s LYS 253 Ca -0.05 0.43 0.01 0.00 -2.55 0.00 0.00 55.97 53.81 3k1b s LYS 253 Cb 0.14 0.03 -0.02 0.00 -1.05 0.00 0.00 37.83 36.93 3k1b s LYS 253 CO 0.76 -0.09 -0.05 0.95 1.55 0.00 0.00 175.35 178.46 3k1b s THR 254 N 0.63 0.30 -0.03 3.43 -4.23 -1.25 0.12 115.64 114.61 3k1b s THR 254 Ca -0.04 -1.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.45 3k1b s THR 254 Cb -0.05 -0.49 0.01 0.00 1.34 0.00 0.00 72.50 73.30 3k1b s THR 254 CO -0.04 -0.48 -0.09 -1.10 -0.54 0.00 0.00 174.62 172.37 3k1b s GLN 255 N -1.68 1.06 -0.19 3.99 -0.21 0.14 -3.28 119.66 119.50 3k1b s GLN 255 Ca -0.12 -0.29 -0.01 0.00 0.02 0.00 0.00 55.36 54.96 3k1b s GLN 255 Cb -0.09 -0.97 0.01 0.00 1.00 0.00 0.00 33.01 32.96 3k1b s GLN 255 CO -0.01 0.07 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.59 3k1b s ASP 256 N 0.38 3.65 -0.10 5.90 1.11 0.47 -1.44 116.67 126.63 3k1b s ASP 256 Ca -0.06 -0.52 -0.04 0.00 0.18 0.00 0.00 52.55 52.10 3k1b s ASP 256 Cb -0.11 -1.59 0.05 0.00 1.07 0.00 0.00 42.92 42.35 3k1b s ASP 256 CO 0.01 0.01 0.21 0.68 1.18 0.00 0.00 175.17 177.25 3k1b s VAL 257 N 1.28 -0.29 -0.00 -1.27 -7.23 -1.19 -2.40 120.40 109.30 3k1b s VAL 257 Ca 0.04 0.30 0.05 0.00 -1.81 0.00 0.00 61.98 60.56 3k1b s VAL 257 Cb -0.14 -0.36 -0.01 0.00 0.56 0.00 0.00 36.38 36.43 3k1b s VAL 257 CO -0.07 0.13 -0.17 -0.76 -0.31 0.00 0.00 175.10 173.91 3k1b s LEU 258 N 2.20 2.06 -0.20 1.32 2.01 -1.22 0.16 118.68 125.01 3k1b s LEU 258 Ca 0.01 -0.34 -0.06 0.00 0.01 0.00 0.00 54.13 53.75 3k1b s LEU 258 Cb -0.12 -0.85 0.09 0.00 0.01 0.00 0.00 46.19 45.32 3k1b s LEU 258 CO -0.07 0.19 0.39 -0.76 1.01 0.00 0.00 176.35 177.11 3k1b s LEU 259 N -0.54 -0.60 0.02 1.79 1.43 -0.15 -2.12 118.68 118.50 3k1b s LEU 259 Ca 0.06 0.84 0.08 0.00 -1.03 0.00 0.00 54.13 54.08 3k1b s LEU 259 Cb -0.07 1.24 -0.02 0.00 0.03 0.00 0.00 46.19 47.36 3k1b s LEU 259 CO -0.00 -0.24 -0.24 -0.69 0.23 0.00 0.00 176.35 175.40 3k1b s VAL 260 N 2.58 1.95 -0.03 -1.59 1.01 -0.69 -1.47 120.40 122.16 3k1b s VAL 260 Ca 0.01 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.76 3k1b s VAL 260 Cb -0.12 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.63 3k1b s VAL 260 CO -0.13 0.38 0.01 0.00 0.00 0.00 0.00 175.10 175.37 3k1b s ALA 261 N -0.73 0.30 0.01 5.51 0.00 -0.21 -2.81 121.76 123.84 3k1b s ALA 261 Ca 0.10 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.26 3k1b s ALA 261 Cb -0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 3k1b s ALA 261 CO 0.01 -0.14 -0.10 -0.65 0.00 0.00 0.00 175.76 174.88 3k1b s GLN 262 N 1.19 0.77 -0.30 0.00 -0.21 -0.35 -0.51 119.66 120.25 3k1b s GLN 262 Ca -0.07 -0.44 -0.02 0.00 0.02 0.00 0.00 55.36 54.84 3k1b s GLN 262 Cb -0.13 -0.73 0.04 0.00 1.00 0.00 0.00 33.01 33.19 3k1b s GLN 262 CO -0.02 0.19 0.00 -0.47 -2.12 0.00 0.00 175.29 172.88 3k1b s TYR 263 N -0.42 3.23 -1.31 0.91 5.04 -1.19 -2.13 117.35 121.48 3k1b s TYR 263 Ca 0.02 -1.76 -0.18 0.00 -2.44 0.00 0.00 57.07 52.71 3k1b s TYR 263 Cb -0.05 -2.12 0.04 0.00 0.35 0.00 0.00 41.96 40.18 3k1b s TYR 263 CO -0.00 -0.78 1.88 0.94 -1.34 0.00 0.00 175.55 176.25 3k1b n GLN 264 N 4.65 2.92 -0.62 4.97 -0.06 -1.03 -3.34 117.38 124.88 3k1b n GLN 264 Ca -0.14 -3.00 -0.09 0.00 -2.00 0.00 0.00 57.00 51.77 3k1b n GLN 264 Cb 0.44 -3.45 0.08 0.00 -4.06 0.00 0.00 30.24 23.25 3k1b n GLN 264 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 3k1b n PHE 265 N 8.34 -1.92 0.00 3.69 3.72 -0.02 -4.84 117.46 126.43 3k1b n PHE 265 Ca 0.49 0.29 -0.00 0.00 -0.05 0.00 0.00 57.45 58.19 3k1b n PHE 265 Cb 0.44 -1.37 -0.00 0.00 -0.94 0.00 0.00 39.48 37.61 3k1b n PHE 265 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3k1b h ASP 266 N -2.39 -0.01 0.00 4.37 5.19 -1.94 -3.15 116.42 118.48 3k1b h ASP 266 Ca -0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 3k1b h ASP 266 Cb 0.40 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.92 3k1b h ASP 266 CO 0.07 0.05 0.17 2.22 -3.12 0.00 0.00 179.24 178.63 3k1b n PHE 267 N -2.35 0.00 -0.08 4.55 -1.74 -1.26 -4.73 117.46 111.86 3k1b n PHE 267 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 3k1b n PHE 267 Cb 0.01 -0.18 0.00 0.00 1.52 0.00 0.00 39.48 40.83 3k1b n PHE 267 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3k1b n GLY 268 N -1.10 0.95 3.67 4.97 0.00 -1.19 -4.73 105.19 107.76 3k1b n GLY 268 Ca 0.00 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3k1b n GLY 268 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k1b s LEU 269 N 0.00 4.16 -0.82 0.99 2.96 -1.26 -2.38 118.68 122.33 3k1b s LEU 269 Ca 0.00 1.53 0.02 0.00 -0.22 0.00 0.00 54.13 55.46 3k1b s LEU 269 Cb 0.00 -3.54 0.27 0.00 0.50 0.00 0.00 46.19 43.42 3k1b s LEU 269 CO 0.00 -0.67 1.05 -1.14 -1.32 0.00 0.00 176.35 174.27 3k1b n ARG 270 N 6.17 3.32 -1.87 1.98 0.63 0.13 -0.84 116.66 126.18 3k1b n ARG 270 Ca 0.12 -4.63 -0.43 0.00 -0.92 0.00 0.00 57.85 51.99 3k1b n ARG 270 Cb 0.46 -2.36 -0.03 0.00 0.45 0.00 0.00 32.46 30.98 3k1b n ARG 270 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3k1b s PRO 271 N -2.61 3.50 -0.15 -0.14 0.04 -1.21 -2.96 135.00 131.48 3k1b s PRO 271 Ca 0.36 1.83 -0.05 0.00 0.04 0.00 0.00 61.00 63.18 3k1b s PRO 271 Cb 0.11 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.41 3k1b s PRO 271 CO 0.04 -1.66 0.02 0.45 0.04 0.00 0.00 177.00 175.89 3k1b s SER 272 N 6.04 5.33 0.12 6.66 0.15 -0.39 -3.15 113.70 128.46 3k1b s SER 272 Ca 0.85 0.05 0.06 0.00 0.70 0.00 0.00 55.95 57.62 3k1b s SER 272 Cb -0.29 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 62.18 3k1b s SER 272 CO 0.34 0.23 -0.04 -0.63 1.20 0.00 0.00 173.24 174.34 3k1b s ILE 273 N 0.01 3.68 0.04 6.45 -1.09 0.34 -0.81 121.20 129.81 3k1b s ILE 273 Ca 0.04 -1.23 -0.28 0.00 -2.23 0.00 0.00 60.65 56.96 3k1b s ILE 273 Cb -0.13 -2.77 0.07 0.00 -1.58 0.00 0.00 42.46 38.06 3k1b s ILE 273 CO 0.02 0.05 0.66 0.00 -1.23 0.00 0.00 174.94 174.43 3k1b s ALA 274 N -1.40 -1.70 -0.19 9.38 0.00 0.38 -1.04 121.76 127.19 3k1b s ALA 274 Ca 0.25 0.97 -0.09 0.00 0.00 0.00 0.00 51.96 53.09 3k1b s ALA 274 Cb -0.11 0.36 0.07 0.00 0.00 0.00 0.00 23.12 23.45 3k1b s ALA 274 CO 0.17 -0.54 0.43 -0.47 0.00 0.00 0.00 175.76 175.35 3k1b s TYR 275 N -2.29 -0.72 -0.08 0.00 5.04 -0.54 0.23 117.35 118.98 3k1b s TYR 275 Ca -0.06 1.46 -0.02 0.00 -2.44 0.00 0.00 57.07 56.01 3k1b s TYR 275 Cb -0.00 0.31 0.03 0.00 0.35 0.00 0.00 41.96 42.65 3k1b s TYR 275 CO -0.00 -0.42 0.03 0.99 -1.34 0.00 0.00 175.55 174.81 3k1b s THR 276 N 1.95 0.20 -0.21 4.34 2.01 -0.84 -0.98 115.64 122.12 3k1b s THR 276 Ca -0.06 0.11 -0.04 0.00 0.31 0.00 0.00 61.69 62.01 3k1b s THR 276 Cb -0.10 -0.48 0.08 0.00 0.01 0.00 0.00 72.50 72.02 3k1b s THR 276 CO -0.13 0.13 0.16 -0.75 -0.69 0.00 0.00 174.62 173.34 3k1b s LYS 277 N 2.03 0.15 -0.19 4.92 2.20 0.42 -2.91 119.74 126.36 3k1b s LYS 277 Ca 0.04 -0.03 -0.07 0.00 -0.36 0.00 0.00 55.97 55.55 3k1b s LYS 277 Cb -0.13 -1.43 -0.04 0.00 -1.51 0.00 0.00 37.83 34.73 3k1b s LYS 277 CO -0.05 -0.73 0.05 0.45 -0.36 0.00 0.00 175.35 174.71 3k1b s SER 278 N 2.22 5.46 0.21 1.43 0.15 -1.14 -3.14 113.70 118.90 3k1b s SER 278 Ca 0.05 0.02 0.09 0.00 0.70 0.00 0.00 55.95 56.81 3k1b s SER 278 Cb -0.16 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.17 3k1b s SER 278 CO -0.15 0.14 -0.06 -1.59 1.20 0.00 0.00 173.24 172.78 3k1b s LYS 279 N 0.55 2.16 -0.10 5.44 -2.85 -0.52 -3.10 119.74 121.31 3k1b s LYS 279 Ca 0.02 -1.33 0.04 0.00 -1.00 0.00 0.00 55.97 53.71 3k1b s LYS 279 Cb -0.13 -2.16 0.00 0.00 -2.06 0.00 0.00 37.83 33.48 3k1b s LYS 279 CO 0.01 0.41 -0.22 0.00 0.10 0.00 0.00 175.35 175.65 3k1b s ALA 280 N -1.95 2.03 0.20 0.59 0.00 0.64 0.27 121.76 123.54 3k1b s ALA 280 Ca 0.28 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.41 3k1b s ALA 280 Cb -0.08 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 3k1b s ALA 280 CO 0.17 0.26 0.16 0.15 0.00 0.00 0.00 175.76 176.49 3k1b s LYS 281 N 0.40 2.89 -0.10 0.00 1.02 0.33 0.13 119.74 124.41 3k1b s LYS 281 Ca -0.18 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 54.86 3k1b s LYS 281 Cb -0.18 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 3k1b s LYS 281 CO 0.08 0.45 0.00 -0.25 -0.92 0.00 0.00 175.35 174.71 3k1b n ASP 282 N -0.68 -3.68 -4.61 2.83 8.00 -1.18 -2.38 116.55 114.86 3k1b n ASP 282 Ca -0.08 0.02 -0.43 0.00 0.71 0.00 0.00 54.79 55.01 3k1b n ASP 282 Cb 0.56 -1.26 -0.03 0.00 -0.02 0.00 0.00 41.12 40.37 3k1b n ASP 282 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3k1b s VAL 283 N -1.85 3.50 0.00 2.53 1.01 -1.06 -4.67 120.40 119.86 3k1b s VAL 283 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.52 3k1b s VAL 283 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3k1b s VAL 283 CO 0.00 -0.31 0.00 -0.62 0.00 0.00 0.00 175.10 174.17 3k1b n GLU 284 N 8.12 0.00 0.00 2.72 -0.58 -1.26 -1.31 120.64 128.33 3k1b n GLU 284 Ca 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 3k1b n GLU 284 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 3k1b n GLU 284 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3k1b n GLY 285 N 0.00 1.07 0.21 0.62 0.00 -1.26 -4.72 105.19 101.10 3k1b n GLY 285 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3k1b n GLY 285 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3k1b h ILE 286 N 0.00 1.22 0.00 -0.61 5.03 -1.57 -3.49 117.51 118.09 3k1b h ILE 286 Ca 0.00 -1.04 0.00 0.00 -0.12 0.00 0.00 64.86 63.70 3k1b h ILE 286 Cb 0.00 1.46 0.00 0.00 -3.03 0.00 0.00 36.82 35.25 3k1b h ILE 286 CO 0.00 0.31 0.00 0.61 -0.68 0.00 0.00 178.15 178.39 3k1b n GLY 287 N -0.65 0.51 3.75 5.37 0.00 -1.03 -4.88 105.19 108.25 3k1b n GLY 287 Ca -0.02 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 3k1b n GLY 287 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k1b s ASP 288 N -4.00 5.83 0.33 1.61 1.01 -1.26 -2.57 116.67 117.62 3k1b s ASP 288 Ca 0.00 0.26 -0.01 0.00 0.71 0.00 0.00 52.55 53.50 3k1b s ASP 288 Cb 0.00 -1.86 0.01 0.00 1.01 0.00 0.00 42.92 42.08 3k1b s ASP 288 CO 0.00 0.33 0.45 1.33 0.21 0.00 0.00 175.17 177.49 3k1b n VAL 289 N 2.49 0.00 -3.90 -1.27 0.24 0.34 -4.93 118.33 111.31 3k1b n VAL 289 Ca -0.18 -1.71 -0.35 0.00 -2.04 0.00 0.00 64.34 60.05 3k1b n VAL 289 Cb 0.54 1.04 -0.14 0.00 -1.47 0.00 0.00 33.84 33.81 3k1b n VAL 289 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3k1b s ASP 290 N -3.06 4.67 0.09 -1.34 1.01 -1.26 0.23 116.67 117.01 3k1b s ASP 290 Ca 0.28 -0.95 0.25 0.00 0.71 0.00 0.00 52.55 52.84 3k1b s ASP 290 Cb -0.01 -1.73 0.54 0.00 1.01 0.00 0.00 42.92 42.73 3k1b s ASP 290 CO 0.20 -0.18 1.47 0.18 0.21 0.00 0.00 175.17 177.04 3k1b n LEU 291 N 4.71 0.59 -3.41 1.23 4.77 -1.18 -4.73 117.00 118.98 3k1b n LEU 291 Ca -0.15 0.25 -0.02 0.00 -0.03 0.00 0.00 56.01 56.06 3k1b n LEU 291 Cb 0.46 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 3k1b n LEU 291 CO 0.28 -0.02 0.13 -0.69 -1.33 0.00 0.00 177.39 175.76 3k1b s VAL 292 N -3.10 -0.88 -0.12 4.08 1.01 -1.22 -4.92 120.40 115.25 3k1b s VAL 292 Ca 0.09 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 3k1b s VAL 292 Cb 0.15 -0.91 0.06 0.00 0.00 0.00 0.00 36.38 35.67 3k1b s VAL 292 CO 0.68 -0.01 0.21 0.21 0.00 0.00 0.00 175.10 176.19 3k1b s ASN 293 N 2.78 0.68 0.10 3.32 2.47 -1.26 -2.91 114.94 120.12 3k1b s ASN 293 Ca 0.08 0.36 -0.26 0.00 0.42 0.00 0.00 52.86 53.46 3k1b s ASN 293 Cb -0.14 0.47 0.09 0.00 -1.45 0.00 0.00 41.25 40.22 3k1b s ASN 293 CO -0.18 -0.26 1.10 -0.72 -3.72 0.00 0.00 177.10 173.32 3k1b s TYR 294 N 2.35 -0.05 -0.05 0.43 -0.85 -1.15 0.24 117.35 118.27 3k1b s TYR 294 Ca 0.03 -0.20 0.03 0.00 -0.52 0.00 0.00 57.07 56.41 3k1b s TYR 294 Cb -0.13 0.62 -0.03 0.00 0.38 0.00 0.00 41.96 42.81 3k1b s TYR 294 CO -0.08 -0.65 -0.13 -0.06 -1.52 0.00 0.00 175.55 173.12 3k1b s PHE 295 N -2.71 2.75 -0.08 -3.49 0.40 -1.07 -1.98 117.98 111.78 3k1b s PHE 295 Ca 0.16 -0.12 0.05 0.00 -0.60 0.00 0.00 56.93 56.41 3k1b s PHE 295 Cb 0.00 -1.64 -0.00 0.00 0.51 0.00 0.00 43.02 41.89 3k1b s PHE 295 CO 0.01 0.22 -0.24 -2.00 0.70 0.00 0.00 175.22 173.91 3k1b s GLU 296 N -0.76 2.83 0.01 0.44 -6.30 0.62 -0.40 118.70 115.14 3k1b s GLU 296 Ca 0.12 -0.87 0.03 0.00 -2.50 0.00 0.00 54.97 51.74 3k1b s GLU 296 Cb -0.11 -2.22 -0.01 0.00 0.00 0.00 0.00 34.13 31.80 3k1b s GLU 296 CO 0.01 0.24 -0.08 0.08 0.02 0.00 0.00 175.26 175.52 3k1b s VAL 297 N 0.19 0.64 0.00 3.70 1.01 -0.33 0.14 120.40 125.75 3k1b s VAL 297 Ca -0.14 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3k1b s VAL 297 Cb -0.16 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.64 3k1b s VAL 297 CO 0.07 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.83 3k1b n GLY 298 N 2.53 3.09 3.40 4.51 0.00 0.01 -2.67 105.19 116.06 3k1b n GLY 298 Ca -0.15 -1.75 -0.15 0.00 0.00 0.00 0.00 46.02 43.96 3k1b n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1b s ALA 299 N -1.95 1.10 -0.06 4.61 0.00 -1.16 -1.26 121.76 123.04 3k1b s ALA 299 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.29 3k1b s ALA 299 Cb 0.00 1.28 -0.03 0.00 0.00 0.00 0.00 23.12 24.37 3k1b s ALA 299 CO 0.00 -0.73 -0.04 0.99 0.00 0.00 0.00 175.76 175.98 3k1b s THR 300 N -3.37 3.94 -0.03 0.00 2.01 -1.15 -1.66 115.64 115.37 3k1b s THR 300 Ca 0.34 -0.44 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 3k1b s THR 300 Cb 0.01 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 3k1b s THR 300 CO 0.21 0.57 0.15 -0.47 -0.69 0.00 0.00 174.62 174.39 3k1b s TYR 301 N -0.87 3.50 -0.46 4.92 6.04 1.01 -0.69 117.35 130.80 3k1b s TYR 301 Ca 0.14 0.36 0.00 0.00 0.04 0.00 0.00 57.07 57.61 3k1b s TYR 301 Cb -0.11 -1.83 0.12 0.00 -1.04 0.00 0.00 41.96 39.10 3k1b s TYR 301 CO 0.03 0.64 0.23 0.71 -1.54 0.00 0.00 175.55 175.62 3k1b s TYR 302 N -1.23 3.52 -1.58 4.97 2.02 -1.00 -0.63 117.35 123.42 3k1b s TYR 302 Ca 0.23 -2.77 0.00 0.00 -0.37 0.00 0.00 57.07 54.16 3k1b s TYR 302 Cb -0.12 -3.07 0.00 0.00 -0.40 0.00 0.00 41.96 38.36 3k1b s TYR 302 CO 0.14 -0.90 0.12 1.19 -1.57 0.00 0.00 175.55 174.54 3k1b n PHE 303 N 3.99 0.00 0.00 2.71 3.72 -1.26 -4.74 117.46 121.88 3k1b n PHE 303 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3k1b n PHE 303 Cb 0.39 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 3k1b n PHE 303 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3k1b n ASN 304 N -0.11 0.00 -0.02 4.37 0.23 -1.26 -4.62 115.26 113.85 3k1b n ASN 304 Ca 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.16 3k1b n ASN 304 Cb 0.02 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 37.77 3k1b n ASN 304 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 3k1b n LYS 305 N 0.00 0.05 -0.00 -3.83 2.85 -1.26 -4.41 118.16 111.56 3k1b n LYS 305 Ca 0.00 -0.04 0.08 0.00 -1.05 0.00 0.00 58.31 57.31 3k1b n LYS 305 Cb 0.00 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 32.77 3k1b n LYS 305 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3k1b n ASN 306 N -1.44 0.90 -1.53 -5.58 5.03 -1.26 -4.93 115.26 106.44 3k1b n ASN 306 Ca 0.05 -0.48 0.00 0.00 0.87 0.00 0.00 54.58 55.02 3k1b n ASN 306 Cb 0.34 1.37 0.00 0.00 -1.02 0.00 0.00 39.78 40.47 3k1b n ASN 306 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 3k1b n MET 307 N -1.73 2.37 0.00 3.52 1.56 -1.26 -2.01 117.12 119.56 3k1b n MET 307 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 3k1b n MET 307 Cb 0.35 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.72 3k1b n MET 307 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 3k1b n SER 308 N -0.83 0.00 -3.76 6.12 3.41 -1.23 -4.41 113.62 112.92 3k1b n SER 308 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 3k1b n SER 308 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3k1b n SER 308 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3k1b s THR 309 N -1.97 0.00 -0.03 6.66 -4.23 0.19 -2.63 115.64 113.64 3k1b s THR 309 Ca 0.00 -0.74 -0.29 0.00 -1.18 0.00 0.00 61.69 59.48 3k1b s THR 309 Cb 0.00 -2.03 0.11 0.00 1.34 0.00 0.00 72.50 71.92 3k1b s THR 309 CO 0.00 0.00 0.92 -0.72 -0.54 0.00 0.00 174.62 174.28 3k1b s TYR 310 N -3.39 -0.33 -0.29 3.99 -0.85 -1.13 0.33 117.35 115.68 3k1b s TYR 310 Ca 0.12 0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.91 3k1b s TYR 310 Cb -0.02 0.53 0.09 0.00 0.38 0.00 0.00 41.96 42.94 3k1b s TYR 310 CO 0.03 -0.51 0.06 0.08 -1.52 0.00 0.00 175.55 173.70 3k1b s VAL 311 N -2.93 1.20 0.17 -3.49 1.01 -0.66 -2.18 120.40 113.52 3k1b s VAL 311 Ca 0.05 -1.46 -0.08 0.00 0.00 0.00 0.00 61.98 60.48 3k1b s VAL 311 Cb -0.01 -1.81 -0.06 0.00 0.00 0.00 0.00 36.38 34.50 3k1b s VAL 311 CO -0.08 -0.53 0.47 -0.62 0.00 0.00 0.00 175.10 174.34 3k1b s ASP 312 N 1.48 6.59 -0.18 3.32 2.15 -0.24 -2.97 116.67 126.81 3k1b s ASP 312 Ca 0.06 0.80 -0.06 0.00 0.43 0.00 0.00 52.55 53.78 3k1b s ASP 312 Cb -0.18 -2.18 0.09 0.00 -0.30 0.00 0.00 42.92 40.35 3k1b s ASP 312 CO -0.17 0.01 0.38 -0.47 -0.17 0.00 0.00 175.17 174.75 3k1b s TYR 313 N -1.69 -0.71 -0.26 -5.34 5.04 -1.09 0.97 117.35 114.27 3k1b s TYR 313 Ca 0.43 1.38 -0.03 0.00 -2.44 0.00 0.00 57.07 56.41 3k1b s TYR 313 Cb -0.12 0.22 0.02 0.00 0.35 0.00 0.00 41.96 42.43 3k1b s TYR 313 CO 0.22 -0.46 -0.03 0.42 -1.34 0.00 0.00 175.55 174.36 3k1b s ILE 314 N 2.57 3.13 -0.47 3.14 -1.09 -0.00 -1.19 121.20 127.29 3k1b s ILE 314 Ca -0.01 -0.96 -0.09 0.00 -2.23 0.00 0.00 60.65 57.36 3k1b s ILE 314 Cb -0.12 -2.60 0.12 0.00 -1.58 0.00 0.00 42.46 38.27 3k1b s ILE 314 CO -0.12 0.16 0.33 -0.63 -1.23 0.00 0.00 174.94 173.46 3k1b s ILE 315 N 1.36 4.17 -0.48 2.92 1.09 0.46 -2.67 121.20 128.05 3k1b s ILE 315 Ca 0.00 -1.78 -0.20 0.00 -1.10 0.00 0.00 60.65 57.58 3k1b s ILE 315 Cb -0.17 -3.74 0.04 0.00 -1.06 0.00 0.00 42.46 37.53 3k1b s ILE 315 CO -0.03 -0.76 0.66 0.21 -0.10 0.00 0.00 174.94 174.93 3k1b s ASN 316 N 2.60 6.28 0.42 3.58 2.47 -1.26 -2.61 114.94 126.42 3k1b s ASN 316 Ca 0.06 -0.58 0.23 0.00 0.42 0.00 0.00 52.86 52.98 3k1b s ASN 316 Cb -0.26 -2.32 0.75 0.00 -1.45 0.00 0.00 41.25 37.97 3k1b s ASN 316 CO -0.01 -0.87 1.75 1.56 -3.72 0.00 0.00 177.10 175.81 3k1b h GLN 317 N 8.97 0.00 -7.12 0.43 1.08 0.28 -3.44 115.11 115.31 3k1b h GLN 317 Ca -0.26 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 56.54 3k1b h GLN 317 Cb 1.09 0.00 0.21 0.00 -0.05 0.00 0.00 27.48 28.73 3k1b h GLN 317 CO 0.94 0.23 -0.05 0.42 -0.95 0.00 0.00 178.83 179.42 3k1b s ILE 318 N -3.49 1.40 0.00 2.54 -1.09 -0.99 -4.93 121.20 114.64 3k1b s ILE 318 Ca 0.02 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 3k1b s ILE 318 Cb 0.09 -2.15 0.00 0.00 -1.58 0.00 0.00 42.46 38.82 3k1b s ILE 318 CO 0.65 0.00 0.00 -0.90 -1.23 0.00 0.00 174.94 173.46 3k1b n ASP 319 N -5.37 0.00 -0.27 3.58 5.75 -1.26 -4.88 116.55 114.10 3k1b n ASP 319 Ca 0.11 -0.79 -0.04 0.00 -0.01 0.00 0.00 54.79 54.06 3k1b n ASP 319 Cb 0.59 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.76 3k1b n ASP 319 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3k1b h SER 320 N 0.00 0.81 -0.02 -1.12 0.02 -1.93 -3.26 113.55 108.05 3k1b h SER 320 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3k1b h SER 320 Cb 0.00 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.35 3k1b h SER 320 CO 0.00 0.57 0.00 0.47 -1.14 0.00 0.00 176.83 176.73 3k1b n ASP 321 N -4.61 0.30 -4.60 3.07 8.00 -1.26 -4.88 116.55 112.57 3k1b n ASP 321 Ca 0.08 -1.26 -0.52 0.00 0.71 0.00 0.00 54.79 53.80 3k1b n ASP 321 Cb 0.06 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 3k1b n ASP 321 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3k1b n ASN 322 N -0.69 2.59 -0.03 -2.24 4.05 -1.23 -4.81 115.26 112.89 3k1b n ASN 322 Ca 0.19 0.77 0.17 0.00 0.45 0.00 0.00 54.58 56.17 3k1b n ASN 322 Cb 0.14 -1.25 0.62 0.00 1.23 0.00 0.00 39.78 40.51 3k1b n ASN 322 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 3k1b h LYS 323 N 9.91 0.15 0.05 1.20 1.79 -1.94 -2.99 116.57 124.74 3k1b h LYS 323 Ca -0.39 -0.01 -0.37 0.00 -2.18 0.00 0.00 60.65 57.70 3k1b h LYS 323 Cb 1.31 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.88 3k1b h LYS 323 CO 0.98 0.10 -2.12 1.28 -1.08 0.00 0.00 179.45 178.61 3k1b n LEU 324 N -4.42 2.54 -0.20 2.94 4.77 -1.26 -4.88 117.00 116.48 3k1b n LEU 324 Ca 0.10 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3k1b n LEU 324 Cb 0.51 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 3k1b n LEU 324 CO 0.35 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 3k1b n GLY 325 N 1.90 0.54 3.73 -0.72 0.00 -1.13 -2.21 105.19 107.30 3k1b n GLY 325 Ca -0.40 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 3k1b n GLY 325 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1b s VAL 326 N -1.50 2.24 1.01 1.61 1.01 -1.26 -4.76 120.40 118.74 3k1b s VAL 326 Ca 0.00 0.18 -0.24 0.00 0.00 0.00 0.00 61.98 61.92 3k1b s VAL 326 Cb 0.00 -3.12 -0.16 0.00 0.00 0.00 0.00 36.38 33.10 3k1b s VAL 326 CO 0.00 0.02 -1.22 0.61 0.00 0.00 0.00 175.10 174.51 3k1b n GLY 327 N 3.11 -3.44 0.00 4.51 0.00 -1.26 -4.83 105.19 103.29 3k1b n GLY 327 Ca 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3k1b n GLY 327 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k1b n SER 328 N 3.12 0.98 -4.91 1.61 3.41 -1.14 -4.73 113.62 111.96 3k1b n SER 328 Ca -0.02 -1.30 -0.27 0.00 -0.26 0.00 0.00 58.87 57.02 3k1b n SER 328 Cb 0.69 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.64 3k1b n SER 328 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3k1b s ASP 329 N -0.30 6.27 0.33 4.04 1.01 -0.56 -4.76 116.67 122.70 3k1b s ASP 329 Ca 0.00 0.85 -0.15 0.00 0.71 0.00 0.00 52.55 53.95 3k1b s ASP 329 Cb 0.00 -2.21 -0.09 0.00 1.01 0.00 0.00 42.92 41.63 3k1b s ASP 329 CO 0.00 -0.53 0.75 -1.81 0.21 0.00 0.00 175.17 173.79 3k1b s ASP 330 N -4.09 6.79 -0.00 0.27 1.01 -1.26 -1.68 116.67 117.71 3k1b s ASP 330 Ca 0.46 1.31 0.05 0.00 0.71 0.00 0.00 52.55 55.08 3k1b s ASP 330 Cb -0.10 -2.38 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 3k1b s ASP 330 CO 0.43 -0.21 -0.15 -0.89 0.21 0.00 0.00 175.17 174.56 3k1b s THR 331 N -1.99 1.20 -0.07 -1.27 2.01 -1.09 -3.99 115.64 110.44 3k1b s THR 331 Ca 0.55 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.86 3k1b s THR 331 Cb -0.10 -1.02 -0.00 0.00 0.01 0.00 0.00 72.50 71.39 3k1b s THR 331 CO 0.17 0.28 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.48 3k1b s VAL 332 N -0.45 1.79 -0.02 3.82 1.01 -0.15 -0.82 120.40 125.58 3k1b s VAL 332 Ca 0.05 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 3k1b s VAL 332 Cb -0.06 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3k1b s VAL 332 CO -0.00 0.50 0.05 0.00 0.00 0.00 0.00 175.10 175.65 3k1b s ALA 333 N 0.19 3.47 -0.04 5.51 0.00 0.27 0.00 121.76 131.16 3k1b s ALA 333 Ca -0.11 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 3k1b s ALA 333 Cb -0.15 -1.52 0.03 0.00 0.00 0.00 0.00 23.12 21.49 3k1b s ALA 333 CO 0.05 0.66 0.09 0.08 0.00 0.00 0.00 175.76 176.64 3k1b s VAL 334 N -1.11 -0.05 0.14 0.00 1.01 -0.75 -1.08 120.40 118.56 3k1b s VAL 334 Ca 0.20 0.19 -0.22 0.00 0.00 0.00 0.00 61.98 62.16 3k1b s VAL 334 Cb -0.12 -0.16 0.06 0.00 0.00 0.00 0.00 36.38 36.17 3k1b s VAL 334 CO 0.11 0.08 0.55 -0.83 0.00 0.00 0.00 175.10 175.01 3k1b s GLY 335 N 1.08 -0.53 -0.01 4.51 0.00 -0.93 -1.90 107.32 109.54 3k1b s GLY 335 Ca -0.09 0.39 0.04 0.00 0.00 0.00 0.00 44.72 45.06 3k1b s GLY 335 CO -0.04 0.08 -0.12 -1.50 0.00 0.00 0.00 173.10 171.52 3k1b s ILE 336 N -3.63 0.94 -0.42 0.90 2.07 -0.45 -2.84 121.20 117.78 3k1b s ILE 336 Ca 0.01 -0.50 0.04 0.00 -1.41 0.00 0.00 60.65 58.79 3k1b s ILE 336 Cb -0.00 -0.80 0.17 0.00 0.13 0.00 0.00 42.46 41.96 3k1b s ILE 336 CO -0.12 0.27 0.44 -0.69 -1.91 0.00 0.00 174.94 172.94 3k1b s VAL 337 N -0.20 -0.21 0.00 4.00 1.01 -1.08 0.19 120.40 124.11 3k1b s VAL 337 Ca 0.03 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.32 3k1b s VAL 337 Cb -0.05 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.58 3k1b s VAL 337 CO -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 175.10 174.38 3k1b n TYR 338 N 3.34 -0.70 0.00 5.22 9.36 -0.30 -3.53 117.16 130.55 3k1b n TYR 338 Ca 0.21 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.43 3k1b n TYR 338 Cb 0.49 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.20 3k1b n TYR 338 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3k1b n GLN 339 N -0.15 0.00 0.00 2.98 10.64 -0.85 -4.37 117.38 125.62 3k1b n GLN 339 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3k1b n GLN 339 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3k1b n GLN 339 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20