#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 4.48 0.00 0.00 2.12 -1.26 -4.01 118.70 120.03 3k1b s GLU 2 Ca 0.00 2.01 0.00 0.00 0.36 0.00 0.00 54.97 57.34 3k1b s GLU 2 Cb 0.00 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.25 3k1b s GLU 2 CO 0.00 -0.02 0.65 0.44 -0.54 0.00 0.00 175.26 175.79 3k1b n ILE 3 N 1.25 0.31 -3.83 -3.70 -5.35 -0.49 -4.92 119.36 102.63 3k1b n ILE 3 Ca 0.00 -0.31 -0.12 0.00 -0.27 0.00 0.00 62.75 62.05 3k1b n ILE 3 Cb 0.43 0.85 -0.11 0.00 -1.74 0.00 0.00 39.64 39.07 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 -0.31 -0.11 -0.49 4.28 6.04 -0.81 -4.93 117.35 121.03 3k1b s TYR 4 Ca 0.00 0.25 0.06 0.00 0.04 0.00 0.00 57.07 57.42 3k1b s TYR 4 Cb 0.00 0.02 0.24 0.00 -1.04 0.00 0.00 41.96 41.19 3k1b s TYR 4 CO 0.00 -0.16 0.89 -1.71 -1.54 0.00 0.00 175.55 173.03 3k1b n ASN 5 N 2.46 -2.81 -4.47 4.32 2.85 -1.26 -1.81 115.26 114.54 3k1b n ASN 5 Ca -0.16 -3.30 -0.29 0.00 -0.11 0.00 0.00 54.58 50.72 3k1b n ASN 5 Cb 0.58 1.77 -0.12 0.00 1.24 0.00 0.00 39.78 43.25 3k1b n ASN 5 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3k1b s LYS 6 N 0.63 1.69 0.00 1.20 -0.14 -1.18 -4.87 119.74 117.07 3k1b s LYS 6 Ca 0.32 -1.27 0.00 0.00 -1.36 0.00 0.00 55.97 53.66 3k1b s LYS 6 Cb 0.23 -2.04 0.00 0.00 -1.68 0.00 0.00 37.83 34.34 3k1b s LYS 6 CO -0.24 0.46 0.00 -0.25 -0.76 0.00 0.00 175.35 174.56 3k1b n ASP 7 N 0.69 -2.86 -1.23 2.83 8.00 -1.26 -0.45 116.55 122.27 3k1b n ASP 7 Ca -0.15 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.23 3k1b n ASP 7 Cb 0.53 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 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 -2.95 0.36 3.78 0.44 0.00 -1.26 -5.03 105.19 100.52 3k1b n GLY 8 Ca 0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.60 5.26 -0.26 1.61 2.47 0.41 -3.56 114.94 118.27 3k1b s ASN 9 Ca 0.00 -0.36 -0.02 0.00 0.42 0.00 0.00 52.86 52.89 3k1b s ASN 9 Cb 0.00 -1.24 0.15 0.00 -1.45 0.00 0.00 41.25 38.71 3k1b s ASN 9 CO 0.00 -0.04 0.46 -1.59 -3.72 0.00 0.00 177.10 172.21 3k1b s LYS 10 N -3.80 0.43 -0.33 0.43 -2.85 -0.37 -3.12 119.74 110.13 3k1b s LYS 10 Ca 0.33 0.74 -0.15 0.00 -1.00 0.00 0.00 55.97 55.88 3k1b s LYS 10 Cb -0.07 -0.06 -0.02 0.00 -2.06 0.00 0.00 37.83 35.62 3k1b s LYS 10 CO 0.24 -0.61 0.37 0.08 0.10 0.00 0.00 175.35 175.53 3k1b s VAL 11 N 2.67 5.16 -0.34 1.79 1.01 -0.75 -2.72 120.40 127.22 3k1b s VAL 11 Ca 0.15 0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.17 3k1b s VAL 11 Cb -0.15 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3k1b s VAL 11 CO -0.18 -0.04 0.32 -0.62 0.00 0.00 0.00 175.10 174.58 3k1b s ASP 12 N 1.72 6.14 -0.01 3.32 -1.08 0.23 -1.39 116.67 125.61 3k1b s ASP 12 Ca 0.13 -0.28 -0.17 0.00 -0.52 0.00 0.00 52.55 51.71 3k1b s ASP 12 Cb -0.16 -2.18 -0.06 0.00 -1.46 0.00 0.00 42.92 39.06 3k1b s ASP 12 CO 0.11 -0.30 0.48 -0.22 0.52 0.00 0.00 175.17 175.77 3k1b s LEU 13 N 1.92 4.44 0.02 -1.34 2.96 -1.26 -1.86 118.68 123.56 3k1b s LEU 13 Ca 0.10 1.03 -0.16 0.00 -0.22 0.00 0.00 54.13 54.88 3k1b s LEU 13 Cb -0.17 -2.72 0.03 0.00 0.50 0.00 0.00 46.19 43.83 3k1b s LEU 13 CO 0.11 0.22 0.35 -0.72 -1.32 0.00 0.00 176.35 175.00 3k1b s TYR 14 N -0.64 -0.19 -0.02 5.38 -0.85 -0.55 -4.01 117.35 116.46 3k1b s TYR 14 Ca 0.26 0.18 -0.14 0.00 -0.52 0.00 0.00 57.07 56.85 3k1b s TYR 14 Cb -0.17 0.14 0.05 0.00 0.38 0.00 0.00 41.96 42.35 3k1b s TYR 14 CO 0.15 -0.49 0.64 0.41 -1.52 0.00 0.00 175.55 174.74 3k1b n GLY 15 N 0.80 0.39 3.69 5.49 0.00 -1.25 0.39 105.19 114.71 3k1b n GLY 15 Ca -0.20 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.01 2.19 -0.36 1.61 -2.85 -0.71 -2.77 119.74 114.85 3k1b s LYS 16 Ca 0.15 -1.61 0.01 0.00 -1.00 0.00 0.00 55.97 53.52 3k1b s LYS 16 Cb -0.00 0.57 0.15 0.00 -2.06 0.00 0.00 37.83 36.48 3k1b s LYS 16 CO -0.01 -0.99 0.26 0.00 0.10 0.00 0.00 175.35 174.72 3k1b s ALA 17 N -2.37 0.62 -0.36 0.59 0.00 -1.14 -1.77 121.76 117.33 3k1b s ALA 17 Ca 0.21 -1.70 -0.10 0.00 0.00 0.00 0.00 51.96 50.37 3k1b s ALA 17 Cb -0.04 -1.72 0.03 0.00 0.00 0.00 0.00 23.12 21.40 3k1b s ALA 17 CO 0.15 -2.11 0.18 0.08 0.00 0.00 0.00 175.76 174.07 3k1b s VAL 18 N 1.06 4.45 -0.62 0.00 1.01 0.22 -3.45 120.40 123.07 3k1b s VAL 18 Ca 0.19 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 3k1b s VAL 18 Cb -0.19 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 3k1b s VAL 18 CO -0.02 -0.20 1.61 -0.83 0.00 0.00 0.00 175.10 175.67 3k1b s GLY 19 N 1.53 0.55 0.01 4.51 0.00 -0.03 -1.47 107.32 112.42 3k1b s GLY 19 Ca 0.02 -0.81 0.06 0.00 0.00 0.00 0.00 44.72 43.99 3k1b s GLY 19 CO 0.06 3.08 -0.18 -2.27 0.00 0.00 0.00 173.10 173.79 3k1b s LEU 20 N 7.47 2.56 -0.01 0.66 2.96 -1.26 0.12 118.68 131.17 3k1b s LEU 20 Ca 0.56 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 3k1b s LEU 20 Cb -0.11 -1.50 -0.00 0.00 0.50 0.00 0.00 46.19 45.08 3k1b s LEU 20 CO 0.21 0.29 -0.06 -2.28 -1.32 0.00 0.00 176.35 173.18 3k1b s HIS 21 N -0.84 0.60 0.22 5.38 5.65 -0.87 -1.61 115.29 123.82 3k1b s HIS 21 Ca 0.13 -0.12 0.05 0.00 0.25 0.00 0.00 55.06 55.37 3k1b s HIS 21 Cb -0.10 -0.41 -0.03 0.00 -1.18 0.00 0.00 32.58 30.85 3k1b s HIS 21 CO 0.03 -0.03 0.28 0.71 -0.65 0.00 0.00 174.74 175.08 3k1b s TYR 22 N -0.01 3.33 -0.05 3.88 2.02 0.33 -1.20 117.35 125.66 3k1b s TYR 22 Ca 0.01 -0.02 -0.01 0.00 -0.37 0.00 0.00 57.07 56.68 3k1b s TYR 22 Cb -0.04 -1.54 0.03 0.00 -0.40 0.00 0.00 41.96 40.01 3k1b s TYR 22 CO -0.00 0.48 0.02 -0.06 -1.57 0.00 0.00 175.55 174.42 3k1b s PHE 23 N -1.95 0.35 -0.05 2.71 2.99 0.28 -3.27 117.98 119.03 3k1b s PHE 23 Ca 0.33 0.02 -0.29 0.00 0.00 0.00 0.00 56.93 57.00 3k1b s PHE 23 Cb -0.09 -0.56 0.10 0.00 0.00 0.00 0.00 43.02 42.47 3k1b s PHE 23 CO 0.27 -0.21 0.86 -1.12 -0.00 0.00 0.00 175.22 175.02 3k1b s SER 24 N 1.66 -0.44 -0.34 1.36 0.01 -1.26 -0.78 113.70 113.90 3k1b s SER 24 Ca -0.01 0.27 -0.44 0.00 1.31 0.00 0.00 55.95 57.08 3k1b s SER 24 Cb -0.13 0.41 -0.19 0.00 0.21 0.00 0.00 66.02 66.32 3k1b s SER 24 CO -0.03 -0.56 1.51 0.29 0.41 0.00 0.00 173.24 174.86 3k1b n LYS 25 N 0.29 0.23 0.00 12.44 5.02 -1.26 -3.76 118.16 131.12 3k1b n LYS 25 Ca -0.12 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 3k1b n LYS 25 Cb 0.60 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3k1b n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k1b n GLY 26 N 3.48 0.78 0.00 0.72 0.00 -1.26 -1.10 105.19 107.81 3k1b n GLY 26 Ca 0.28 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3k1b n GLY 26 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k1b n ASN 27 N -3.53 0.00 0.00 1.61 3.02 -1.26 -4.67 115.26 110.43 3k1b n ASN 27 Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 3k1b n ASN 27 Cb 0.00 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 3k1b n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k1b n GLY 28 N -1.03 0.30 0.00 7.41 0.00 -0.26 -3.22 105.19 108.39 3k1b n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k1b n GLY 28 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k1b n GLU 29 N 0.00 0.00 -0.91 1.61 2.13 -1.26 0.43 120.64 122.64 3k1b n GLU 29 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 3k1b n GLU 29 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 3k1b n GLU 29 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 3k1b n ASN 30 N 0.00 -0.30 -4.90 4.31 2.85 -1.26 -4.90 115.26 111.05 3k1b n ASN 30 Ca 0.00 -1.74 -0.21 0.00 -0.11 0.00 0.00 54.58 52.52 3k1b n ASN 30 Cb 0.00 0.07 0.06 0.00 1.24 0.00 0.00 39.78 41.15 3k1b n ASN 30 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3k1b s SER 31 N -0.91 4.98 0.44 1.20 1.04 1.46 -0.14 113.70 121.77 3k1b s SER 31 Ca 0.06 -0.44 0.21 0.00 0.48 0.00 0.00 55.95 56.26 3k1b s SER 31 Cb 0.07 -0.21 1.03 0.00 0.10 0.00 0.00 66.02 67.00 3k1b s SER 31 CO -0.03 -1.38 1.92 0.22 0.98 0.00 0.00 173.24 174.95 3k1b h TYR 32 N -0.00 0.00 0.00 5.02 3.20 -1.25 -3.32 116.97 120.61 3k1b h TYR 32 Ca -0.36 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.33 3k1b h TYR 32 Cb 1.28 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.52 3k1b h TYR 32 CO 0.21 0.25 -2.13 0.41 -1.64 0.00 0.00 178.16 175.25 3k1b n GLY 33 N -0.41 -0.95 0.00 1.82 0.00 -1.26 -5.02 105.19 99.37 3k1b n GLY 33 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.57 -1.17 3.65 -0.02 0.00 -1.25 -5.06 105.19 102.91 3k1b n GLY 34 Ca -0.17 -2.00 0.02 0.00 0.00 0.00 0.00 46.02 43.86 3k1b n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k1b s ASN 35 N -4.00 -0.00 0.00 1.61 3.84 -1.20 -4.15 114.94 111.04 3k1b s ASN 35 Ca 0.00 0.00 0.00 0.00 0.21 0.00 0.00 52.86 53.07 3k1b s ASN 35 Cb 0.00 0.76 0.00 0.00 -0.55 0.00 0.00 41.25 41.46 3k1b s ASN 35 CO 0.00 -0.00 0.00 0.61 -2.79 0.00 0.00 177.10 174.92 3k1b n GLY 36 N 2.64 0.72 3.73 1.21 0.00 -1.20 -4.76 105.19 107.53 3k1b n GLY 36 Ca -0.15 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 3k1b n GLY 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k1b s ASP 37 N -4.00 6.85 0.00 1.61 2.15 -1.26 -0.51 116.67 121.50 3k1b s ASP 37 Ca 0.00 2.42 0.17 0.00 0.43 0.00 0.00 52.55 55.57 3k1b s ASP 37 Cb 0.00 -2.61 0.27 0.00 -0.30 0.00 0.00 42.92 40.29 3k1b s ASP 37 CO 0.00 -0.57 1.09 0.23 -0.17 0.00 0.00 175.17 175.74 3k1b n MET 38 N 2.84 0.00 -2.96 4.34 2.81 -0.64 -4.90 117.12 118.61 3k1b n MET 38 Ca 0.07 -1.60 -0.41 0.00 -1.81 0.00 0.00 57.70 53.95 3k1b n MET 38 Cb 0.42 -0.03 -0.05 0.00 -0.71 0.00 0.00 33.22 32.86 3k1b n MET 38 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3k1b s THR 39 N 0.00 4.91 0.09 2.03 2.01 -1.07 -4.15 115.64 119.47 3k1b s THR 39 Ca 0.22 1.48 0.01 0.00 0.31 0.00 0.00 61.69 63.71 3k1b s THR 39 Cb 0.25 -4.07 -0.00 0.00 0.01 0.00 0.00 72.50 68.68 3k1b s THR 39 CO -0.11 0.02 0.05 0.00 -0.69 0.00 0.00 174.62 173.89 3k1b n TYR 40 N 5.41 -0.04 -4.00 4.92 4.11 -0.54 0.44 117.16 127.45 3k1b n TYR 40 Ca 0.03 -0.64 -0.09 0.00 -0.00 0.00 0.00 57.90 57.19 3k1b n TYR 40 Cb 0.49 0.02 -0.06 0.00 -0.00 0.00 0.00 39.34 39.79 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 -2.29 -0.16 -0.00 -3.48 0.00 0.29 0.73 121.76 116.84 3k1b s ALA 41 Ca 0.07 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3k1b s ALA 41 Cb 0.00 1.07 -0.00 0.00 0.00 0.00 0.00 23.12 24.20 3k1b s ALA 41 CO 0.05 -0.83 -0.01 1.03 0.00 0.00 0.00 175.76 176.00 3k1b s ARG 42 N -4.02 0.08 -0.29 0.00 1.81 -0.73 -2.70 118.95 113.11 3k1b s ARG 42 Ca 0.23 -0.03 0.00 0.00 -1.72 0.00 0.00 55.73 54.20 3k1b s ARG 42 Cb -0.00 -0.08 0.18 0.00 -0.45 0.00 0.00 34.95 34.60 3k1b s ARG 42 CO 0.08 0.02 0.54 -1.17 -0.68 0.00 0.00 175.30 174.09 3k1b s LEU 43 N -0.01 -1.24 0.00 2.53 2.96 -1.22 -1.73 118.68 119.97 3k1b s LEU 43 Ca 0.00 0.55 -0.00 0.00 -0.22 0.00 0.00 54.13 54.46 3k1b s LEU 43 Cb -0.01 1.86 0.00 0.00 0.50 0.00 0.00 46.19 48.55 3k1b s LEU 43 CO -0.00 -0.28 0.24 0.61 -1.32 0.00 0.00 176.35 175.60 3k1b n GLY 44 N 5.41 2.74 2.95 7.98 0.00 0.16 -3.37 105.19 121.06 3k1b n GLY 44 Ca -0.00 -1.55 -0.07 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.69 -1.02 -0.09 1.61 -0.12 -1.23 -1.48 117.98 111.96 3k1b s PHE 45 Ca 0.16 0.78 -0.30 0.00 -0.05 0.00 0.00 56.93 57.53 3k1b s PHE 45 Cb -0.00 0.04 -0.02 0.00 -0.63 0.00 0.00 43.02 42.40 3k1b s PHE 45 CO 0.12 -0.84 1.17 0.15 -0.05 0.00 0.00 175.22 175.77 3k1b s LYS 46 N 2.60 4.34 0.08 1.99 1.02 -0.78 -2.39 119.74 126.59 3k1b s LYS 46 Ca 0.13 1.61 0.07 0.00 0.02 0.00 0.00 55.97 57.80 3k1b s LYS 46 Cb -0.14 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.55 3k1b s LYS 46 CO -0.22 -0.48 -0.19 0.20 -0.92 0.00 0.00 175.35 173.75 3k1b s GLY 47 N 1.48 1.09 -0.03 -3.33 0.00 -0.58 0.78 107.32 106.73 3k1b s GLY 47 Ca 0.54 -1.11 -0.26 0.00 0.00 0.00 0.00 44.72 43.89 3k1b s GLY 47 CO 0.19 -1.09 0.56 1.85 0.00 0.00 0.00 173.10 174.61 3k1b s GLU 48 N -1.62 0.96 -0.44 2.90 2.12 -1.10 -3.30 118.70 118.22 3k1b s GLU 48 Ca 0.05 0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.47 3k1b s GLU 48 Cb -0.09 0.44 0.21 0.00 0.26 0.00 0.00 34.13 34.95 3k1b s GLU 48 CO 0.03 -0.30 0.93 -2.37 -0.54 0.00 0.00 175.26 173.02 3k1b n THR 49 N 0.94 0.00 -1.65 -1.70 5.66 -0.72 -1.23 114.28 115.58 3k1b n THR 49 Ca -0.20 -0.76 -0.46 0.00 -3.05 0.00 0.00 64.05 59.58 3k1b n THR 49 Cb 0.57 0.95 -0.03 0.00 -1.55 0.00 0.00 70.33 70.27 3k1b n THR 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3k1b n GLN 50 N 2.48 1.84 -0.45 1.09 6.02 -1.23 -3.14 117.38 123.99 3k1b n GLN 50 Ca 0.13 0.66 0.04 0.00 -0.01 0.00 0.00 57.00 57.81 3k1b n GLN 50 Cb 0.62 -2.29 0.21 0.00 1.02 0.00 0.00 30.24 29.79 3k1b n GLN 50 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3k1b n ILE 51 N 1.96 1.38 -1.31 5.09 -5.35 -1.01 -4.84 119.36 115.28 3k1b n ILE 51 Ca 0.13 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 3k1b n ILE 51 Cb 0.29 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 3k1b n ILE 51 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3k1b n ASN 52 N 0.34 0.00 -0.34 7.28 6.94 -1.20 -4.86 115.26 123.42 3k1b n ASN 52 Ca 0.14 0.00 0.27 0.00 -0.02 0.00 0.00 54.58 54.97 3k1b n ASN 52 Cb 0.72 0.00 0.58 0.00 -2.36 0.00 0.00 39.78 38.71 3k1b n ASN 52 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3k1b h SER 53 N 0.00 0.33 0.00 0.53 0.02 -2.03 -3.23 113.55 109.18 3k1b h SER 53 Ca 0.00 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3k1b h SER 53 Cb 0.00 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3k1b h SER 53 CO 0.00 0.03 -1.13 0.47 -1.14 0.00 0.00 176.83 175.07 3k1b n ASP 54 N -4.55 3.75 -4.78 3.07 8.00 -1.26 -4.97 116.55 115.81 3k1b n ASP 54 Ca 0.27 -0.01 -0.35 0.00 0.71 0.00 0.00 54.79 55.41 3k1b n ASP 54 Cb 1.02 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 42.07 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 -5.15 3.87 -0.09 0.64 2.96 -1.22 -2.87 118.68 116.82 3k1b s LEU 55 Ca -0.03 2.08 -0.03 0.00 -0.22 0.00 0.00 54.13 55.93 3k1b s LEU 55 Cb 0.01 -4.48 0.04 0.00 0.50 0.00 0.00 46.19 42.26 3k1b s LEU 55 CO 0.05 -0.92 0.06 -0.89 -1.32 0.00 0.00 176.35 173.34 3k1b s THR 56 N -1.81 -0.05 0.41 3.68 2.01 -0.20 -2.40 115.64 117.29 3k1b s THR 56 Ca 0.67 0.20 -0.21 0.00 0.31 0.00 0.00 61.69 62.66 3k1b s THR 56 Cb -0.21 -0.33 -0.11 0.00 0.01 0.00 0.00 72.50 71.86 3k1b s THR 56 CO 0.25 0.04 0.94 -0.83 -0.69 0.00 0.00 174.62 174.33 3k1b s GLY 57 N 2.14 2.45 -0.04 4.40 0.00 -1.19 -1.49 107.32 113.58 3k1b s GLY 57 Ca 0.04 0.40 -0.30 0.00 0.00 0.00 0.00 44.72 44.86 3k1b s GLY 57 CO -0.05 0.70 0.96 -2.52 0.00 0.00 0.00 173.10 172.18 3k1b s TYR 58 N -2.09 -0.30 0.20 1.90 -0.85 -1.08 -1.76 117.35 113.37 3k1b s TYR 58 Ca 0.60 0.18 -0.11 0.00 -0.52 0.00 0.00 57.07 57.22 3k1b s TYR 58 Cb -0.10 0.53 -0.00 0.00 0.38 0.00 0.00 41.96 42.77 3k1b s TYR 58 CO 0.15 -0.47 0.38 0.20 -1.52 0.00 0.00 175.55 174.28 3k1b s GLY 59 N -2.42 0.48 -0.06 5.49 0.00 -1.21 0.20 107.32 109.80 3k1b s GLY 59 Ca 0.06 -0.84 -0.23 0.00 0.00 0.00 0.00 44.72 43.70 3k1b s GLY 59 CO -0.08 -0.72 0.53 1.62 0.00 0.00 0.00 173.10 174.45 3k1b s GLN 60 N -3.98 0.86 -0.33 2.90 0.74 -0.12 -1.53 119.66 118.20 3k1b s GLN 60 Ca 0.19 0.18 0.01 0.00 0.05 0.00 0.00 55.36 55.79 3k1b s GLN 60 Cb 0.02 0.40 0.15 0.00 1.10 0.00 0.00 33.01 34.67 3k1b s GLN 60 CO 0.04 -0.24 0.33 -0.46 -0.55 0.00 0.00 175.29 174.41 3k1b s TRP 61 N -1.01 -0.38 -0.46 1.67 -0.00 -1.01 -2.42 118.94 115.33 3k1b s TRP 61 Ca -0.10 -0.48 -0.10 0.00 -0.00 0.00 0.00 56.10 55.41 3k1b s TRP 61 Cb -0.02 -0.44 0.10 0.00 -0.00 0.00 0.00 33.47 33.11 3k1b s TRP 61 CO 0.07 -0.94 0.34 -2.00 -0.00 0.00 0.00 176.95 174.41 3k1b s GLU 62 N 1.92 2.62 0.67 5.86 2.12 -0.85 -3.50 118.70 127.54 3k1b s GLU 62 Ca 0.13 -1.63 0.00 0.00 0.36 0.00 0.00 54.97 53.84 3k1b s GLU 62 Cb -0.15 -3.94 0.10 0.00 0.26 0.00 0.00 34.13 30.40 3k1b s GLU 62 CO -0.19 -1.12 0.93 -0.47 -0.54 0.00 0.00 175.26 173.87 3k1b s TYR 63 N 1.43 1.91 -0.18 5.30 5.04 -1.22 -1.78 117.35 127.85 3k1b s TYR 63 Ca 0.04 -0.23 -0.05 0.00 -2.44 0.00 0.00 57.07 54.40 3k1b s TYR 63 Cb -0.25 -2.89 0.07 0.00 0.35 0.00 0.00 41.96 39.24 3k1b s TYR 63 CO 0.01 -1.47 0.14 1.21 -1.34 0.00 0.00 175.55 174.10 3k1b s ASN 64 N -4.65 1.97 -0.20 4.32 2.47 -0.90 -3.44 114.94 114.51 3k1b s ASN 64 Ca 0.64 -0.45 -0.14 0.00 0.42 0.00 0.00 52.86 53.33 3k1b s ASN 64 Cb -0.07 -0.02 -0.04 0.00 -1.45 0.00 0.00 41.25 39.67 3k1b s ASN 64 CO 0.43 -0.34 0.30 -0.36 -3.72 0.00 0.00 177.10 173.40 3k1b s PHE 65 N 2.21 3.39 0.14 0.43 0.08 -1.10 -2.40 117.98 120.73 3k1b s PHE 65 Ca 0.04 0.51 -0.21 0.00 0.12 0.00 0.00 56.93 57.38 3k1b s PHE 65 Cb -0.16 -2.39 -0.07 0.00 -0.57 0.00 0.00 43.02 39.82 3k1b s PHE 65 CO -0.10 0.10 0.68 -0.65 -0.10 0.00 0.00 175.22 175.14 3k1b s GLN 66 N 0.96 4.34 -0.03 0.44 -1.52 -1.26 -0.55 119.66 122.03 3k1b s GLN 66 Ca 0.15 0.91 0.21 0.00 -1.95 0.00 0.00 55.36 54.68 3k1b s GLN 66 Cb -0.14 -3.15 0.66 0.00 -0.22 0.00 0.00 33.01 30.16 3k1b s GLN 66 CO 0.05 0.56 1.56 0.41 -0.25 0.00 0.00 175.29 177.62 3k1b n GLY 67 N 1.41 2.59 0.44 3.09 0.00 1.51 -4.35 105.19 109.89 3k1b n GLY 67 Ca -0.07 -0.80 0.05 0.00 0.00 0.00 0.00 46.02 45.20 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 1.47 1.99 -4.89 1.61 0.23 -1.11 -4.73 115.26 109.83 3k1b n ASN 68 Ca 0.25 -1.50 -0.32 0.00 -0.53 0.00 0.00 54.58 52.48 3k1b n ASN 68 Cb 0.69 -0.02 -0.05 0.00 -2.08 0.00 0.00 39.78 38.32 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 -0.89 6.55 1.40 0.53 -0.87 -1.26 -5.05 114.94 115.35 3k1b s ASN 69 Ca 0.13 0.72 -0.20 0.00 -1.57 0.00 0.00 52.86 51.95 3k1b s ASN 69 Cb 0.09 -2.15 0.31 0.00 -0.02 0.00 0.00 41.25 39.49 3k1b s ASN 69 CO 0.13 0.02 0.71 -0.24 -2.57 0.00 0.00 177.10 175.15 3k1b n SER 70 N 0.07 -3.78 -1.04 -1.22 2.88 -1.26 -4.94 113.62 104.32 3k1b n SER 70 Ca -0.02 -0.73 0.09 0.00 -1.33 0.00 0.00 58.87 56.89 3k1b n SER 70 Cb 0.52 -0.82 0.24 0.00 -0.75 0.00 0.00 64.21 63.40 3k1b n SER 70 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3k1b n GLU 71 N -5.14 2.64 0.00 -1.46 1.02 -1.26 -4.26 120.64 112.18 3k1b n GLU 71 Ca 0.11 -2.33 0.00 0.00 -0.02 0.00 0.00 57.16 54.92 3k1b n GLU 71 Cb 0.49 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 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 1.19 4.18 0.00 0.62 0.00 -1.26 -4.87 105.19 105.06 3k1b n GLY 72 Ca 0.18 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.22 4.61 0.00 -1.26 -0.38 120.51 119.25 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 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.31 3.24 0.00 0.00 5.75 -1.26 -4.56 116.55 118.42 3k1b n ASP 74 Ca 0.00 -3.41 0.07 0.00 -0.01 0.00 0.00 54.79 51.43 3k1b n ASP 74 Cb 0.00 -0.61 0.37 0.00 -1.03 0.00 0.00 41.12 39.85 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 -0.83 1.89 -0.56 2.12 0.00 0.49 -2.10 120.51 121.52 3k1b n ALA 75 Ca 0.30 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.75 3k1b n ALA 75 Cb 1.02 -1.21 0.29 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.12 3.31 -2.60 0.00 1.13 -1.26 -4.93 117.38 111.91 3k1b n GLN 76 Ca 0.08 -2.66 -0.43 0.00 -1.94 0.00 0.00 57.00 52.06 3k1b n GLN 76 Cb 0.07 -1.70 -0.02 0.00 0.11 0.00 0.00 30.24 28.70 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 -1.73 4.47 -0.32 5.09 2.01 -0.89 -3.04 115.64 121.22 3k1b s THR 77 Ca 0.43 1.71 -0.01 0.00 0.31 0.00 0.00 61.69 64.13 3k1b s THR 77 Cb 0.27 -4.34 0.00 0.00 0.01 0.00 0.00 72.50 68.44 3k1b s THR 77 CO 0.20 -0.42 0.13 0.61 -0.69 0.00 0.00 174.62 174.46 3k1b n GLY 78 N 3.83 0.43 3.70 4.40 0.00 -1.26 -4.70 105.19 111.59 3k1b n GLY 78 Ca 0.12 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.94 6.40 0.02 1.61 -0.87 -1.17 -4.21 114.94 113.77 3k1b s ASN 79 Ca 0.07 0.47 0.00 0.00 -1.57 0.00 0.00 52.86 51.82 3k1b s ASN 79 Cb -0.03 -2.19 -0.00 0.00 -0.02 0.00 0.00 41.25 39.01 3k1b s ASN 79 CO 0.08 0.02 0.02 2.29 -2.57 0.00 0.00 177.10 176.95 3k1b n LYS 80 N 4.03 0.03 -4.53 -0.60 0.00 -1.01 -5.00 118.16 111.08 3k1b n LYS 80 Ca -0.11 -0.19 -0.30 0.00 -0.00 0.00 0.00 58.31 57.71 3k1b n LYS 80 Cb 0.52 0.17 -0.17 0.00 -0.00 0.00 0.00 35.03 35.55 3k1b n LYS 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3k1b s THR 81 N -2.23 1.73 -0.17 0.58 2.01 -1.26 -2.12 115.64 114.18 3k1b s THR 81 Ca 0.02 -0.78 -0.16 0.00 0.31 0.00 0.00 61.69 61.08 3k1b s THR 81 Cb 0.00 -1.56 -0.13 0.00 0.01 0.00 0.00 72.50 70.83 3k1b s THR 81 CO 0.02 0.49 0.10 0.03 -0.69 0.00 0.00 174.62 174.57 3k1b h ARG 82 N 7.40 0.00 -5.36 4.92 -0.00 -1.68 -3.48 114.38 116.18 3k1b h ARG 82 Ca -0.32 0.00 -0.45 0.00 -0.50 0.00 0.00 59.98 58.71 3k1b h ARG 82 Cb 1.18 0.00 -0.25 0.00 0.00 0.00 0.00 29.97 30.90 3k1b h ARG 82 CO 0.52 0.57 -0.80 -0.51 0.00 0.00 0.00 179.97 179.75 3k1b s LEU 83 N -8.07 2.17 -0.29 3.04 1.43 -1.13 -4.81 118.68 111.01 3k1b s LEU 83 Ca -0.21 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 52.29 3k1b s LEU 83 Cb 0.03 -0.63 0.13 0.00 0.03 0.00 0.00 46.19 45.76 3k1b s LEU 83 CO 0.42 0.04 0.86 0.00 0.23 0.00 0.00 176.35 177.90 3k1b s ALA 84 N -0.84 -2.24 0.07 4.21 0.00 0.34 -2.00 121.76 121.31 3k1b s ALA 84 Ca 0.02 2.25 -0.27 0.00 0.00 0.00 0.00 51.96 53.96 3k1b s ALA 84 Cb -0.08 -1.73 0.09 0.00 0.00 0.00 0.00 23.12 21.40 3k1b s ALA 84 CO 0.01 -0.58 0.89 -0.59 0.00 0.00 0.00 175.76 175.48 3k1b s PHE 85 N 1.91 -0.29 0.26 0.00 -0.12 -1.02 0.32 117.98 119.05 3k1b s PHE 85 Ca -0.07 0.08 0.08 0.00 -0.05 0.00 0.00 56.93 56.97 3k1b s PHE 85 Cb -0.06 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 3k1b s PHE 85 CO -0.17 -0.68 0.09 0.00 -0.05 0.00 0.00 175.22 174.41 3k1b s ALA 86 N -3.24 3.35 0.22 1.99 0.00 -0.97 -0.95 121.76 122.16 3k1b s ALA 86 Ca 0.07 -1.55 -0.21 0.00 0.00 0.00 0.00 51.96 50.27 3k1b s ALA 86 Cb -0.01 -1.01 0.07 0.00 0.00 0.00 0.00 23.12 22.17 3k1b s ALA 86 CO -0.05 0.26 0.99 0.20 0.00 0.00 0.00 175.76 177.15 3k1b s GLY 87 N -3.75 0.14 -0.18 0.00 0.00 0.13 -2.37 107.32 101.30 3k1b s GLY 87 Ca 0.32 -0.39 -0.11 0.00 0.00 0.00 0.00 44.72 44.54 3k1b s GLY 87 CO 0.22 1.77 0.43 1.08 0.00 0.00 0.00 173.10 176.61 3k1b s LEU 88 N -3.32 -0.04 -0.21 0.66 1.43 -0.34 -2.65 118.68 114.21 3k1b s LEU 88 Ca 0.20 0.93 -0.07 0.00 -1.03 0.00 0.00 54.13 54.16 3k1b s LEU 88 Cb -0.03 1.45 -0.04 0.00 0.03 0.00 0.00 46.19 47.61 3k1b s LEU 88 CO 0.06 -0.19 0.06 -0.54 0.23 0.00 0.00 176.35 175.98 3k1b s LYS 89 N 1.13 3.82 -0.36 1.70 1.02 -0.56 -2.19 119.74 124.30 3k1b s LYS 89 Ca -0.07 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.51 3k1b s LYS 89 Cb -0.07 -3.25 0.14 0.00 -0.52 0.00 0.00 37.83 34.13 3k1b s LYS 89 CO -0.10 0.07 0.21 -0.47 -0.92 0.00 0.00 175.35 174.14 3k1b s TYR 90 N 0.91 0.87 0.00 3.18 5.04 -0.84 -1.03 117.35 125.47 3k1b s TYR 90 Ca 0.04 -1.68 0.00 0.00 -2.44 0.00 0.00 57.07 52.98 3k1b s TYR 90 Cb -0.14 -1.05 0.00 0.00 0.35 0.00 0.00 41.96 41.13 3k1b s TYR 90 CO 0.03 -0.82 0.00 0.00 -1.34 0.00 0.00 175.55 173.41 3k1b n ALA 91 N 4.06 0.00 -1.37 3.97 0.00 -1.14 -0.98 120.51 125.06 3k1b n ALA 91 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 3k1b n ALA 91 Cb 0.37 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.01 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 2.66 2.99 0.02 0.00 8.00 -1.26 -3.69 116.55 125.27 3k1b n ASP 92 Ca 0.00 -3.71 -0.17 0.00 0.71 0.00 0.00 54.79 51.62 3k1b n ASP 92 Cb 0.00 -0.72 -0.07 0.00 -0.02 0.00 0.00 41.12 40.31 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 1.03 1.30 0.00 2.53 2.07 -1.37 -3.38 116.25 118.44 3k1b h VAL 93 Ca 0.38 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.75 3k1b h VAL 93 Cb 2.13 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 34.10 3k1b h VAL 93 CO 0.67 0.67 0.00 0.61 0.02 0.00 0.00 177.57 179.54 3k1b n GLY 94 N 0.87 -0.78 3.56 2.17 0.00 -1.21 -4.84 105.19 104.95 3k1b n GLY 94 Ca -0.08 -2.20 -0.26 0.00 0.00 0.00 0.00 46.02 43.48 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 -3.36 3.83 0.18 1.61 1.04 -0.34 -1.98 113.70 114.68 3k1b s SER 95 Ca 0.00 -1.14 -0.19 0.00 0.48 0.00 0.00 55.95 55.10 3k1b s SER 95 Cb 0.00 -0.39 0.04 0.00 0.10 0.00 0.00 66.02 65.77 3k1b s SER 95 CO 0.00 -0.19 0.54 0.12 0.98 0.00 0.00 173.24 174.69 3k1b s PHE 96 N -2.58 -0.26 0.00 5.02 5.36 -0.93 -2.04 117.98 122.55 3k1b s PHE 96 Ca 0.33 -0.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.25 3k1b s PHE 96 Cb 0.01 0.45 0.00 0.00 -0.34 0.00 0.00 43.02 43.14 3k1b s PHE 96 CO 0.17 -0.89 0.00 -0.40 -1.46 0.00 0.00 175.22 172.64 3k1b n ASP 97 N -0.34 0.00 -3.56 6.13 5.68 -1.23 -1.20 116.55 122.02 3k1b n ASP 97 Ca -0.12 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.02 3k1b n ASP 97 Cb 0.63 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.56 3k1b n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3k1b s TYR 98 N -2.00 -0.48 -0.98 2.11 5.04 -1.00 -2.73 117.35 117.31 3k1b s TYR 98 Ca 0.00 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 55.27 3k1b s TYR 98 Cb 0.00 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.67 3k1b s TYR 98 CO 0.00 -0.63 0.00 0.41 -1.34 0.00 0.00 175.55 173.99 3k1b n GLY 99 N 0.57 0.38 3.66 8.97 0.00 -1.23 -2.30 105.19 115.23 3k1b n GLY 99 Ca -0.19 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.17 3k1b n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k1b s ARG 100 N -0.41 4.23 0.02 1.61 0.52 0.15 -1.87 118.95 123.20 3k1b s ARG 100 Ca 0.00 1.31 -0.00 0.00 -0.52 0.00 0.00 55.73 56.52 3k1b s ARG 100 Cb 0.00 -3.65 0.00 0.00 0.52 0.00 0.00 34.95 31.82 3k1b s ARG 100 CO 0.00 -0.66 0.02 -1.71 0.02 0.00 0.00 175.30 172.97 3k1b n ASN 101 N 6.38 -0.06 -4.62 0.23 2.85 -0.93 -0.50 115.26 118.60 3k1b n ASN 101 Ca 0.12 -1.08 -0.43 0.00 -0.11 0.00 0.00 54.58 53.08 3k1b n ASN 101 Cb 0.46 0.12 -0.02 0.00 1.24 0.00 0.00 39.78 41.58 3k1b n ASN 101 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 3k1b s TYR 102 N -5.51 2.72 0.56 1.20 2.02 -1.26 -0.96 117.35 116.13 3k1b s TYR 102 Ca 0.01 0.86 -0.07 0.00 -0.37 0.00 0.00 57.07 57.51 3k1b s TYR 102 Cb -0.00 -4.01 -0.05 0.00 -0.40 0.00 0.00 41.96 37.50 3k1b s TYR 102 CO 0.01 -1.57 -0.39 0.41 -1.57 0.00 0.00 175.55 172.44 3k1b n GLY 103 N 4.44 -1.38 0.07 0.71 0.00 0.51 -4.78 105.19 104.76 3k1b n GLY 103 Ca 0.14 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.18 3k1b n GLY 103 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3k1b n VAL 104 N -2.76 0.66 -0.10 1.61 0.24 -0.96 -3.42 118.33 113.59 3k1b n VAL 104 Ca -0.01 -0.62 0.20 0.00 -2.04 0.00 0.00 64.34 61.88 3k1b n VAL 104 Cb 0.19 -0.33 0.63 0.00 -1.47 0.00 0.00 33.84 32.86 3k1b n VAL 104 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3k1b h VAL 105 N 0.00 0.71 -1.01 3.34 2.07 -0.61 -0.66 116.25 120.09 3k1b h VAL 105 Ca -0.14 -0.05 0.24 0.00 0.82 0.00 0.00 66.70 67.57 3k1b h VAL 105 Cb 1.36 0.54 -0.11 0.00 -1.52 0.00 0.00 31.29 31.57 3k1b h VAL 105 CO 0.02 0.03 0.63 0.22 0.02 0.00 0.00 177.57 178.48 3k1b h TYR 106 N 0.15 0.87 -0.84 1.57 3.20 -1.60 0.20 116.97 120.52 3k1b h TYR 106 Ca 0.34 0.03 0.24 0.00 3.14 0.00 0.00 58.73 62.48 3k1b h TYR 106 Cb 1.11 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 3k1b h TYR 106 CO -0.00 0.10 0.94 -0.25 -1.64 0.00 0.00 178.16 177.32 3k1b n ASP 107 N -4.74 0.00 0.00 -2.11 8.00 -0.25 -0.23 116.55 117.21 3k1b n ASP 107 Ca 0.25 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.34 3k1b n ASP 107 Cb 0.76 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 3k1b n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k1b n ALA 108 N -2.06 0.00 0.00 2.24 0.00 0.70 -4.60 120.51 116.79 3k1b n ALA 108 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3k1b n ALA 108 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.64 3k1b n ALA 108 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k1b n LEU 109 N -0.46 0.00 0.00 0.00 4.77 -0.76 0.45 117.00 121.00 3k1b n LEU 109 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3k1b n LEU 109 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3k1b n LEU 109 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3k1b n GLY 110 N -0.77 0.00 0.33 -0.72 0.00 0.68 0.11 105.19 104.81 3k1b n GLY 110 Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.30 3k1b n GLY 110 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3k1b h TYR 111 N 0.00 0.69 -0.27 1.61 -1.99 -0.26 0.39 116.97 117.14 3k1b h TYR 111 Ca 0.00 0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.78 3k1b h TYR 111 Cb 0.00 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 38.60 3k1b h TYR 111 CO 0.00 -0.43 0.00 0.25 -0.00 0.00 0.00 178.16 177.98 3k1b n THR 112 N -5.27 0.39 -3.39 -2.88 -2.24 0.12 -4.78 114.28 96.23 3k1b n THR 112 Ca 0.34 -0.70 -0.45 0.00 -2.27 0.00 0.00 64.05 60.98 3k1b n THR 112 Cb 1.15 1.07 -0.04 0.00 -2.10 0.00 0.00 70.33 70.41 3k1b n THR 112 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k1b s ASP 113 N -1.45 6.35 0.00 3.42 2.15 0.13 -4.44 116.67 122.83 3k1b s ASP 113 Ca 0.32 -2.42 0.00 0.00 0.43 0.00 0.00 52.55 50.88 3k1b s ASP 113 Cb 0.19 -2.15 0.00 0.00 -0.30 0.00 0.00 42.92 40.66 3k1b s ASP 113 CO 0.27 -0.63 0.00 0.23 -0.17 0.00 0.00 175.17 174.87 3k1b n MET 114 N 4.32 0.00 -0.13 4.34 0.00 -1.26 -4.94 117.12 119.45 3k1b n MET 114 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.69 3k1b n MET 114 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.66 3k1b n MET 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3k1b n LEU 115 N 0.00 -0.41 0.00 4.03 7.99 -1.26 -4.61 117.00 122.74 3k1b n LEU 115 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 56.01 56.10 3k1b n LEU 115 Cb 0.22 -0.07 0.60 0.00 -0.11 0.00 0.00 43.42 44.06 3k1b n LEU 115 CO 0.00 -0.35 0.84 -2.65 -1.51 0.00 0.00 177.39 173.72 3k1b n PRO 116 N 0.32 0.85 0.00 3.23 -0.02 -1.26 -4.73 135.00 133.39 3k1b n PRO 116 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3k1b n PRO 116 Cb 0.10 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 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 -0.87 0.00 0.00 -0.52 4.07 -1.26 -5.04 120.64 117.02 3k1b n GLU 117 Ca 0.15 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 3k1b n GLU 117 Cb 0.07 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.45 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 0.00 0.00 0.00 4.31 3.72 -1.26 -4.97 117.46 119.26 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 4.01 0.00 2.70 1.37 0.00 -1.26 -4.68 105.19 107.33 3k1b n GLY 119 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.13 0.11 -0.02 0.00 -1.26 -4.92 105.19 98.97 3k1b n GLY 120 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.20 0.00 0.04 1.61 5.19 -1.94 -3.21 116.42 116.90 3k1b h ASP 121 Ca -0.37 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 55.95 3k1b h ASP 121 Cb 1.25 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.75 3k1b h ASP 121 CO 0.39 0.72 -0.27 0.74 -3.12 0.00 0.00 179.24 177.70 3k1b h THR 122 N 0.00 1.26 -3.17 0.35 2.02 -1.94 -3.40 112.91 108.03 3k1b h THR 122 Ca -0.01 -1.26 -0.70 0.00 0.77 0.00 0.00 66.41 65.21 3k1b h THR 122 Cb 1.36 1.42 -0.20 0.00 -1.74 0.00 0.00 68.15 68.99 3k1b h THR 122 CO 0.09 0.39 -0.02 0.00 0.37 0.00 0.00 175.52 176.35 3k1b s ALA 123 N -4.44 3.44 0.71 6.16 0.00 -1.21 -5.02 121.76 121.39 3k1b s ALA 123 Ca -0.06 -1.97 -0.03 0.00 0.00 0.00 0.00 51.96 49.90 3k1b s ALA 123 Cb 0.14 -3.34 0.07 0.00 0.00 0.00 0.00 23.12 20.00 3k1b s ALA 123 CO 0.78 -2.04 0.48 0.66 0.00 0.00 0.00 175.76 175.63 3k1b n TYR 124 N 5.97 -3.49 -3.71 0.00 4.01 -1.26 -4.84 117.16 113.84 3k1b n TYR 124 Ca -0.09 -0.66 -0.38 0.00 -0.16 0.00 0.00 57.90 56.62 3k1b n TYR 124 Cb 0.44 -0.36 -0.11 0.00 -0.31 0.00 0.00 39.34 39.00 3k1b n TYR 124 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3k1b s SER 125 N -2.85 5.40 0.00 7.72 0.01 -1.26 -3.06 113.70 119.66 3k1b s SER 125 Ca 0.30 -1.68 0.00 0.00 1.31 0.00 0.00 55.95 55.87 3k1b s SER 125 Cb -0.01 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.32 3k1b s SER 125 CO 0.20 -0.51 0.00 0.47 0.41 0.00 0.00 173.24 173.81 3k1b n ASP 126 N 4.76 -0.05 -1.63 2.44 8.00 -1.06 -4.92 116.55 124.08 3k1b n ASP 126 Ca -0.08 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.30 3k1b n ASP 126 Cb 0.42 -0.01 0.08 0.00 -0.02 0.00 0.00 41.12 41.59 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 0.04 3.74 0.00 -2.24 2.03 -1.26 -4.70 116.55 114.16 3k1b n ASP 127 Ca 0.00 -2.82 0.00 0.00 0.52 0.00 0.00 54.79 52.49 3k1b n ASP 127 Cb 0.00 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 3k1b n ASP 127 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3k1b n PHE 128 N -0.22 0.00 1.20 -0.67 3.72 -1.26 -4.02 117.46 116.21 3k1b n PHE 128 Ca 0.29 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.71 3k1b n PHE 128 Cb 1.01 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.64 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 11.32 0.00 0.24 1.38 3.72 -1.26 -3.53 117.46 129.33 3k1b n PHE 129 Ca 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 3k1b n PHE 129 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 3k1b n PHE 129 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3k1b n VAL 130 N -0.57 0.00 -3.64 -4.37 3.14 -1.26 0.12 118.33 111.75 3k1b n VAL 130 Ca 0.02 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.98 3k1b n VAL 130 Cb 0.01 1.04 0.00 0.00 -1.06 0.00 0.00 33.84 33.83 3k1b n VAL 130 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3k1b n GLY 131 N 0.87 5.14 3.68 7.55 0.00 -1.17 -4.38 105.19 116.87 3k1b n GLY 131 Ca 0.02 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 3k1b n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k1b s ARG 132 N -0.92 4.32 0.12 1.61 0.52 -1.25 0.19 118.95 123.53 3k1b s ARG 132 Ca 0.00 1.65 0.06 0.00 -0.52 0.00 0.00 55.73 56.91 3k1b s ARG 132 Cb 0.00 -3.62 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 3k1b s ARG 132 CO 0.00 -0.53 -0.14 0.08 0.02 0.00 0.00 175.30 174.74 3k1b s VAL 133 N 2.63 1.32 1.02 3.52 1.01 -0.13 -2.56 120.40 127.21 3k1b s VAL 133 Ca 0.55 -1.75 -0.12 0.00 0.00 0.00 0.00 61.98 60.66 3k1b s VAL 133 Cb -0.23 -1.55 0.20 0.00 0.00 0.00 0.00 36.38 34.80 3k1b s VAL 133 CO 0.19 -0.44 1.08 -0.83 0.00 0.00 0.00 175.10 175.10 3k1b s GLY 134 N -2.51 1.56 0.00 4.51 0.00 -1.26 -2.19 107.32 107.43 3k1b s GLY 134 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.50 3k1b s GLY 134 CO 0.03 0.31 0.00 0.61 0.00 0.00 0.00 173.10 174.05 3k1b n GLY 135 N -0.80 0.00 3.53 0.20 0.00 -1.25 -4.77 105.19 102.11 3k1b n GLY 135 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 2.05 0.12 1.61 -7.23 -0.78 -2.55 120.40 113.62 3k1b s VAL 136 Ca 0.00 -2.15 -0.21 0.00 -1.81 0.00 0.00 61.98 57.81 3k1b s VAL 136 Cb 0.00 -2.68 0.06 0.00 0.56 0.00 0.00 36.38 34.32 3k1b s VAL 136 CO 0.00 -0.18 0.53 0.00 -0.31 0.00 0.00 175.10 175.14 3k1b s ALA 137 N -2.72 -1.35 0.05 1.32 0.00 -0.64 -3.58 121.76 114.83 3k1b s ALA 137 Ca 0.33 0.39 0.03 0.00 0.00 0.00 0.00 51.96 52.70 3k1b s ALA 137 Cb 0.04 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 3k1b s ALA 137 CO 0.16 -0.66 -0.09 0.99 0.00 0.00 0.00 175.76 176.16 3k1b s THR 138 N -3.38 0.64 -0.02 0.00 2.01 -1.11 -1.13 115.64 112.64 3k1b s THR 138 Ca -0.00 -1.10 0.03 0.00 0.31 0.00 0.00 61.69 60.93 3k1b s THR 138 Cb -0.00 -0.68 -0.00 0.00 0.01 0.00 0.00 72.50 71.82 3k1b s THR 138 CO -0.09 -0.35 -0.12 -0.47 -0.69 0.00 0.00 174.62 172.90 3k1b s TYR 139 N -1.34 1.20 0.03 4.92 5.04 -0.42 -3.55 117.35 123.23 3k1b s TYR 139 Ca -0.08 -0.29 0.07 0.00 -2.44 0.00 0.00 57.07 54.33 3k1b s TYR 139 Cb -0.10 -0.81 -0.02 0.00 0.35 0.00 0.00 41.96 41.38 3k1b s TYR 139 CO 0.01 -0.08 -0.20 1.03 -1.34 0.00 0.00 175.55 174.96 3k1b s ARG 140 N -0.03 1.42 0.03 4.97 0.52 -0.87 0.06 118.95 125.06 3k1b s ARG 140 Ca -0.00 -0.87 0.06 0.00 -0.52 0.00 0.00 55.73 54.39 3k1b s ARG 140 Cb -0.08 -1.49 -0.02 0.00 0.52 0.00 0.00 34.95 33.88 3k1b s ARG 140 CO 0.00 0.39 -0.17 1.21 0.02 0.00 0.00 175.30 176.75 3k1b s ASN 141 N -1.00 2.06 -0.88 0.23 3.04 -1.18 -1.19 114.94 116.01 3k1b s ASN 141 Ca 0.07 -0.46 -0.03 0.00 0.04 0.00 0.00 52.86 52.47 3k1b s ASN 141 Cb -0.08 -0.16 0.22 0.00 -1.54 0.00 0.00 41.25 39.68 3k1b s ASN 141 CO 0.01 0.11 0.77 -0.55 -3.04 0.00 0.00 177.10 174.41 3k1b s SER 142 N -1.06 6.09 -0.79 -4.21 0.15 -1.26 -3.32 113.70 109.31 3k1b s SER 142 Ca 0.05 -3.55 -0.03 0.00 0.70 0.00 0.00 55.95 53.12 3k1b s SER 142 Cb -0.08 -1.95 -0.03 0.00 -1.71 0.00 0.00 66.02 62.25 3k1b s SER 142 CO 0.01 -0.24 0.71 0.59 1.20 0.00 0.00 173.24 175.52 3k1b n ASN 143 N 2.60 -6.60 -3.77 5.45 3.02 -1.14 -1.07 115.26 113.75 3k1b n ASN 143 Ca 0.20 -0.35 -0.25 0.00 -0.03 0.00 0.00 54.58 54.15 3k1b n ASN 143 Cb 0.38 -4.73 0.01 0.00 -0.61 0.00 0.00 39.78 34.83 3k1b n ASN 143 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3k1b n PHE 144 N -2.35 -0.94 -2.10 3.10 3.01 -0.31 -0.79 117.46 117.08 3k1b n PHE 144 Ca -0.03 0.16 -0.17 0.00 1.01 0.00 0.00 57.45 58.42 3k1b n PHE 144 Cb 0.55 -1.67 -0.03 0.00 -0.01 0.00 0.00 39.48 38.33 3k1b n PHE 144 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3k1b n PHE 145 N -3.01 -0.59 0.00 1.38 3.72 -1.22 -0.50 117.46 117.24 3k1b n PHE 145 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3k1b n PHE 145 Cb 0.36 -3.28 0.00 0.00 -0.94 0.00 0.00 39.48 35.63 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 -0.99 2.76 0.28 1.37 0.00 0.03 -4.71 105.19 103.93 3k1b n GLY 146 Ca -0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.60 -7.87 0.99 3.38 -0.31 -3.44 115.31 107.46 3k1b h LEU 147 Ca 0.00 0.04 -0.43 0.00 0.09 0.00 0.00 57.88 57.58 3k1b h LEU 147 Cb 0.00 0.18 -0.33 0.00 0.09 0.00 0.00 40.66 40.61 3k1b h LEU 147 CO 0.00 -0.37 -0.79 0.68 0.09 0.00 0.00 178.44 178.05 3k1b s VAL 148 N -6.09 0.74 -0.18 1.22 -7.23 -0.75 -5.01 120.40 103.11 3k1b s VAL 148 Ca -0.16 -0.28 -0.29 0.00 -1.81 0.00 0.00 61.98 59.44 3k1b s VAL 148 Cb 0.05 -0.70 -0.01 0.00 0.56 0.00 0.00 36.38 36.29 3k1b s VAL 148 CO 0.64 0.26 1.14 -0.62 -0.31 0.00 0.00 175.10 176.21 3k1b s ASP 149 N 0.60 7.04 0.00 4.85 -1.08 -1.26 -3.58 116.67 123.23 3k1b s ASP 149 Ca -0.09 1.56 0.00 0.00 -0.52 0.00 0.00 52.55 53.49 3k1b s ASP 149 Cb -0.13 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 3k1b s ASP 149 CO 0.01 -0.68 0.00 0.61 0.52 0.00 0.00 175.17 175.63 3k1b n GLY 150 N 3.43 1.83 3.32 2.66 0.00 -1.26 -4.96 105.19 110.20 3k1b n GLY 150 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 5.60 -0.03 0.99 0.20 -1.24 -3.18 118.68 121.01 3k1b s LEU 151 Ca 0.00 -1.54 0.05 0.00 0.69 0.00 0.00 54.13 53.33 3k1b s LEU 151 Cb 0.00 -2.11 -0.02 0.00 -0.43 0.00 0.00 46.19 43.63 3k1b s LEU 151 CO 0.00 -0.66 -0.18 0.20 -0.29 0.00 0.00 176.35 175.42 3k1b s ASN 152 N 2.65 3.73 0.00 3.68 0.02 0.42 -1.16 114.94 124.27 3k1b s ASN 152 Ca 0.04 -0.29 0.00 0.00 -1.02 0.00 0.00 52.86 51.59 3k1b s ASN 152 Cb -0.25 -0.68 0.00 0.00 0.02 0.00 0.00 41.25 40.33 3k1b s ASN 152 CO 0.04 0.33 0.00 2.22 0.02 0.00 0.00 177.10 179.71 3k1b n PHE 153 N 2.28 0.00 -3.90 2.20 -1.74 -1.21 -1.82 117.46 113.26 3k1b n PHE 153 Ca -0.17 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 56.73 3k1b n PHE 153 Cb 0.52 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.53 3k1b n PHE 153 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3k1b n ALA 154 N -3.00 -1.88 -3.62 1.98 0.00 0.16 -3.12 120.51 111.02 3k1b n ALA 154 Ca 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 53.44 52.93 3k1b n ALA 154 Cb 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 3k1b n ALA 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k1b s VAL 155 N -2.10 0.00 -0.08 0.00 0.11 0.11 -3.13 120.40 115.31 3k1b s VAL 155 Ca 0.16 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.17 3k1b s VAL 155 Cb -0.01 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.88 3k1b s VAL 155 CO 0.00 0.00 0.18 -1.58 -3.33 0.00 0.00 175.10 170.37 3k1b s GLN 156 N -0.52 0.14 -0.07 1.54 0.74 1.80 -1.30 119.66 121.99 3k1b s GLN 156 Ca 0.04 0.39 0.02 0.00 0.05 0.00 0.00 55.36 55.86 3k1b s GLN 156 Cb -0.03 -0.12 -0.02 0.00 1.10 0.00 0.00 33.01 33.94 3k1b s GLN 156 CO -0.06 -0.14 -0.12 0.71 -0.55 0.00 0.00 175.29 175.12 3k1b s TYR 157 N 1.01 2.78 -0.21 1.67 2.02 -0.29 0.35 117.35 124.68 3k1b s TYR 157 Ca -0.08 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.42 3k1b s TYR 157 Cb -0.09 -1.70 0.04 0.00 -0.40 0.00 0.00 41.96 39.81 3k1b s TYR 157 CO -0.06 0.13 -0.15 -1.17 -1.57 0.00 0.00 175.55 172.74 3k1b s LEU 158 N -0.50 2.56 0.88 -1.29 2.96 -0.68 -1.62 118.68 120.99 3k1b s LEU 158 Ca 0.07 -0.93 -0.12 0.00 -0.22 0.00 0.00 54.13 52.93 3k1b s LEU 158 Cb -0.12 -1.44 0.12 0.00 0.50 0.00 0.00 46.19 45.25 3k1b s LEU 158 CO 0.02 -0.09 1.10 -0.83 -1.32 0.00 0.00 176.35 175.22 3k1b s GLY 159 N 1.26 1.61 0.07 7.98 0.00 -1.06 -3.05 107.32 114.13 3k1b s GLY 159 Ca -0.01 -0.14 -0.30 0.00 0.00 0.00 0.00 44.72 44.27 3k1b s GLY 159 CO -0.09 0.35 1.80 1.25 0.00 0.00 0.00 173.10 176.41 3k1b s LYS 160 N -5.00 4.16 -0.50 2.90 2.47 -1.26 -4.72 119.74 117.78 3k1b s LYS 160 Ca 0.63 2.49 0.05 0.00 -1.56 0.00 0.00 55.97 57.58 3k1b s LYS 160 Cb -0.17 -3.79 0.18 0.00 -1.46 0.00 0.00 37.83 32.59 3k1b s LYS 160 CO 0.56 -0.85 0.43 0.09 0.16 0.00 0.00 175.35 175.74 3k1b n ASN 161 N 6.32 0.79 -4.31 1.43 4.13 0.07 -5.00 115.26 118.70 3k1b n ASN 161 Ca 0.18 -2.70 -0.44 0.00 1.68 0.00 0.00 54.58 53.30 3k1b n ASN 161 Cb 0.40 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 38.02 3k1b n ASN 161 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3k1b n GLU 162 N 2.31 3.55 0.00 3.52 1.02 -1.26 -2.51 120.64 127.27 3k1b n GLU 162 Ca 0.26 -4.04 0.00 0.00 -0.02 0.00 0.00 57.16 53.37 3k1b n GLU 162 Cb 0.45 -2.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.02 3k1b n GLU 162 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3k1b n ARG 163 N 4.19 2.80 -0.21 3.49 1.74 -1.26 -4.81 116.66 122.59 3k1b n ARG 163 Ca 0.33 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.42 3k1b n ARG 163 Cb 0.40 0.00 0.12 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 0.04 -5.16 0.55 3.32 -1.98 -3.49 116.42 109.70 3k1b h ASP 164 Ca 0.00 0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 3k1b h ASP 164 Cb 0.00 0.15 -0.15 0.00 0.22 0.00 0.00 39.33 39.55 3k1b h ASP 164 CO 0.00 0.02 -0.45 -0.89 -1.72 0.00 0.00 179.24 176.20 3k1b s THR 165 N -6.09 0.15 0.00 0.35 2.01 -1.26 -5.10 115.64 105.70 3k1b s THR 165 Ca -0.13 -1.26 0.00 0.00 0.31 0.00 0.00 61.69 60.61 3k1b s THR 165 Cb 0.18 -1.29 0.00 0.00 0.01 0.00 0.00 72.50 71.41 3k1b s THR 165 CO 0.74 -0.70 0.02 0.00 -0.69 0.00 0.00 174.62 173.99 3k1b n ALA 166 N 0.13 0.00 0.23 7.40 0.00 -1.26 -2.71 120.51 124.31 3k1b n ALA 166 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3k1b n ALA 166 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.02 0.23 0.00 0.00 0.63 -1.26 -2.30 116.66 113.94 3k1b n ARG 167 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3k1b n ARG 167 Cb 0.00 -1.29 0.00 0.00 0.45 0.00 0.00 32.46 31.62 3k1b n ARG 167 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3k1b n ARG 168 N 0.71 3.42 -0.29 -0.14 5.12 -1.10 -4.86 116.66 119.52 3k1b n ARG 168 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3k1b n ARG 168 Cb 0.10 -0.95 0.00 0.00 -1.16 0.00 0.00 32.46 30.45 3k1b n ARG 168 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3k1b n SER 169 N -1.88 0.00 0.00 0.55 7.64 -0.97 -4.87 113.62 114.08 3k1b n SER 169 Ca 0.00 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.35 3k1b n SER 169 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 3k1b n SER 169 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3k1b n ASN 170 N -1.60 0.00 0.00 6.43 2.04 -1.04 -4.83 115.26 116.26 3k1b n ASN 170 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 3k1b n ASN 170 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 3k1b n ASN 170 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3k1b n GLY 171 N 0.00 -1.17 3.52 4.83 0.00 -0.99 -0.75 105.19 110.63 3k1b n GLY 171 Ca 0.00 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 3k1b n GLY 171 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k1b n ASP 172 N 0.00 3.03 -3.56 1.61 8.00 -1.25 -4.23 116.55 120.15 3k1b n ASP 172 Ca 0.00 -3.17 -0.07 0.00 0.71 0.00 0.00 54.79 52.25 3k1b n ASP 172 Cb 0.00 0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 3k1b n ASP 172 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3k1b s GLY 173 N -3.69 -0.31 0.40 0.44 0.00 -1.17 -0.72 107.32 102.27 3k1b s GLY 173 Ca 0.03 1.66 0.07 0.00 0.00 0.00 0.00 44.72 46.49 3k1b s GLY 173 CO 0.02 0.68 0.05 0.54 0.00 0.00 0.00 173.10 174.40 3k1b s VAL 174 N -2.09 2.14 0.00 1.40 0.11 -1.22 -1.69 120.40 119.05 3k1b s VAL 174 Ca 0.04 -1.92 0.00 0.00 -2.93 0.00 0.00 61.98 57.17 3k1b s VAL 174 Cb -0.01 -2.97 0.00 0.00 -1.53 0.00 0.00 36.38 31.88 3k1b s VAL 174 CO -0.04 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 3k1b n GLY 175 N -1.03 1.76 0.00 6.54 0.00 0.15 -2.42 105.19 110.19 3k1b n GLY 175 Ca -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.32 2.03 0.00 -0.02 0.00 -0.99 0.49 105.19 106.39 3k1b n GLY 176 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3k1b n GLY 176 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k1b n SER 177 N 0.00 0.00 -4.13 1.61 3.41 -1.18 -1.92 113.62 111.40 3k1b n SER 177 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 3k1b n SER 177 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 3k1b n SER 177 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3k1b s ILE 178 N -1.46 1.01 -0.17 -1.33 1.09 -0.74 0.37 121.20 119.97 3k1b s ILE 178 Ca 0.00 -1.07 -0.28 0.00 -1.10 0.00 0.00 60.65 58.20 3k1b s ILE 178 Cb 0.00 -0.95 0.08 0.00 -1.06 0.00 0.00 42.46 40.53 3k1b s ILE 178 CO 0.00 -0.11 0.77 -0.94 -0.10 0.00 0.00 174.94 174.57 3k1b s SER 179 N -1.33 -0.64 -0.25 3.58 1.04 -0.76 -2.68 113.70 112.66 3k1b s SER 179 Ca -0.01 0.98 -0.06 0.00 0.48 0.00 0.00 55.95 57.34 3k1b s SER 179 Cb -0.08 0.91 0.13 0.00 0.10 0.00 0.00 66.02 67.07 3k1b s SER 179 CO 0.01 -0.39 0.51 -0.47 0.98 0.00 0.00 173.24 173.88 3k1b s TYR 180 N -0.42 -1.11 -0.16 5.02 6.04 -1.06 -0.44 117.35 125.22 3k1b s TYR 180 Ca -0.04 1.63 -0.03 0.00 0.04 0.00 0.00 57.07 58.66 3k1b s TYR 180 Cb -0.03 0.43 -0.02 0.00 -1.04 0.00 0.00 41.96 41.30 3k1b s TYR 180 CO 0.04 -0.66 -0.05 -1.21 -1.54 0.00 0.00 175.55 172.13 3k1b s GLU 181 N 2.72 3.60 -0.61 4.97 2.02 -1.19 -1.19 118.70 129.02 3k1b s GLU 181 Ca 0.05 -0.55 0.02 0.00 0.02 0.00 0.00 54.97 54.51 3k1b s GLU 181 Cb -0.13 -2.90 0.39 0.00 0.10 0.00 0.00 34.13 31.58 3k1b s GLU 181 CO -0.17 0.17 1.46 0.98 0.02 0.00 0.00 175.26 177.73 3k1b n TYR 182 N 3.72 3.27 -2.55 1.61 9.36 -0.04 -4.82 117.16 127.72 3k1b n TYR 182 Ca -0.17 -2.84 -0.06 0.00 3.32 0.00 0.00 57.90 58.15 3k1b n TYR 182 Cb 0.52 -0.53 -0.05 0.00 -0.63 0.00 0.00 39.34 38.66 3k1b n TYR 182 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 3k1b n GLU 183 N -0.48 -4.44 0.00 2.98 2.13 -1.26 -4.23 120.64 115.34 3k1b n GLU 183 Ca 0.44 3.36 0.00 0.00 0.66 0.00 0.00 57.16 61.62 3k1b n GLU 183 Cb 0.48 -4.93 0.00 0.00 0.27 0.00 0.00 31.44 27.27 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 1.63 2.31 3.67 8.31 0.00 -1.26 -4.94 105.19 114.91 3k1b n GLY 184 Ca -0.41 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 1.96 -0.29 1.61 2.99 -1.26 -3.04 117.98 119.95 3k1b s PHE 185 Ca 0.00 1.44 -0.19 0.00 0.00 0.00 0.00 56.93 58.17 3k1b s PHE 185 Cb 0.00 -3.18 0.13 0.00 0.00 0.00 0.00 43.02 39.96 3k1b s PHE 185 CO 0.00 -2.74 0.95 0.20 -0.00 0.00 0.00 175.22 173.64 3k1b s GLY 186 N -3.02 -0.15 -0.15 4.36 0.00 0.30 -0.86 107.32 107.81 3k1b s GLY 186 Ca 0.65 2.86 0.02 0.00 0.00 0.00 0.00 44.72 48.26 3k1b s GLY 186 CO 0.59 2.29 -0.21 -1.50 0.00 0.00 0.00 173.10 174.27 3k1b s ILE 187 N 0.98 1.98 0.03 0.90 1.10 -0.33 -0.74 121.20 125.11 3k1b s ILE 187 Ca -0.05 -0.92 0.03 0.00 -0.51 0.00 0.00 60.65 59.20 3k1b s ILE 187 Cb -0.04 -1.76 -0.02 0.00 0.15 0.00 0.00 42.46 40.79 3k1b s ILE 187 CO -0.12 0.53 -0.09 -0.69 -2.11 0.00 0.00 174.94 172.46 3k1b s VAL 188 N 0.96 0.69 0.07 4.00 1.01 -0.35 -2.56 120.40 124.22 3k1b s VAL 188 Ca -0.04 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.19 3k1b s VAL 188 Cb -0.15 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 3k1b s VAL 188 CO -0.05 -0.10 -0.12 -0.83 0.00 0.00 0.00 175.10 174.01 3k1b s GLY 189 N -0.98 0.76 -0.24 4.51 0.00 -1.09 -1.50 107.32 108.78 3k1b s GLY 189 Ca -0.03 -0.97 -0.27 0.00 0.00 0.00 0.00 44.72 43.45 3k1b s GLY 189 CO 0.00 -1.02 1.09 0.00 0.00 0.00 0.00 173.10 173.18 3k1b s ALA 190 N -1.54 -2.00 0.16 3.20 0.00 -1.08 -1.78 121.76 118.71 3k1b s ALA 190 Ca -0.03 1.75 -0.24 0.00 0.00 0.00 0.00 51.96 53.44 3k1b s ALA 190 Cb -0.09 -1.24 0.06 0.00 0.00 0.00 0.00 23.12 21.86 3k1b s ALA 190 CO 0.01 -0.24 0.76 -0.47 0.00 0.00 0.00 175.76 175.82 3k1b s TYR 191 N -0.34 -0.32 0.10 0.00 6.04 -0.81 -1.33 117.35 120.68 3k1b s TYR 191 Ca 0.02 0.04 -0.25 0.00 0.04 0.00 0.00 57.07 56.92 3k1b s TYR 191 Cb -0.03 0.61 0.09 0.00 -1.04 0.00 0.00 41.96 41.59 3k1b s TYR 191 CO -0.05 -0.89 1.14 0.20 -1.54 0.00 0.00 175.55 174.42 3k1b s GLY 192 N -2.78 -0.01 -0.19 8.97 0.00 -0.94 -2.34 107.32 110.04 3k1b s GLY 192 Ca 0.07 -0.13 -0.31 0.00 0.00 0.00 0.00 44.72 44.35 3k1b s GLY 192 CO -0.04 3.47 1.14 0.00 0.00 0.00 0.00 173.10 177.67 3k1b s ALA 193 N -2.15 -2.01 -0.13 3.20 0.00 -1.02 -3.98 121.76 115.68 3k1b s ALA 193 Ca 0.24 1.62 -0.30 0.00 0.00 0.00 0.00 51.96 53.52 3k1b s ALA 193 Cb -0.01 -0.68 0.13 0.00 0.00 0.00 0.00 23.12 22.55 3k1b s ALA 193 CO 0.02 -0.40 1.01 0.00 0.00 0.00 0.00 175.76 176.40 3k1b s ALA 194 N -1.60 -1.93 0.39 0.00 0.00 -0.80 -3.37 121.76 114.45 3k1b s ALA 194 Ca 0.05 1.45 -0.22 0.00 0.00 0.00 0.00 51.96 53.24 3k1b s ALA 194 Cb -0.01 -0.38 -0.16 0.00 0.00 0.00 0.00 23.12 22.58 3k1b s ALA 194 CO -0.04 -0.44 0.13 -0.25 0.00 0.00 0.00 175.76 175.16 3k1b n ASP 195 N 0.36 -2.71 -4.90 0.00 9.92 0.10 -2.26 116.55 117.06 3k1b n ASP 195 Ca -0.08 0.84 -0.20 0.00 -0.53 0.00 0.00 54.79 54.81 3k1b n ASP 195 Cb 0.59 -0.89 -0.03 0.00 -0.64 0.00 0.00 41.12 40.15 3k1b n ASP 195 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 3k1b s ARG 196 N -1.02 2.89 0.20 -1.24 0.52 0.07 -2.36 118.95 118.01 3k1b s ARG 196 Ca 0.60 -1.17 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 3k1b s ARG 196 Cb -0.66 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 3k1b s ARG 196 CO 0.62 0.11 0.38 -0.08 0.02 0.00 0.00 175.30 176.34 3k1b s THR 197 N -2.24 5.23 0.36 0.02 -1.32 -1.26 -4.48 115.64 111.94 3k1b s THR 197 Ca 0.42 -0.45 0.08 0.00 -1.21 0.00 0.00 61.69 60.53 3k1b s THR 197 Cb -0.07 -3.74 0.31 0.00 -1.51 0.00 0.00 72.50 67.49 3k1b s THR 197 CO 0.28 -0.18 1.91 0.78 -2.21 0.00 0.00 174.62 175.20 3k1b h ASN 198 N 1.96 0.65 -0.76 8.08 2.35 -1.99 2.09 115.58 127.96 3k1b h ASN 198 Ca -0.48 0.02 0.17 0.00 -0.55 0.00 0.00 56.30 55.46 3k1b h ASN 198 Cb 1.19 -0.11 -0.13 0.00 0.05 0.00 0.00 38.32 39.32 3k1b h ASN 198 CO 0.68 0.37 -0.02 0.25 -1.65 0.00 0.00 177.43 177.05 3k1b h LEU 199 N 0.70 -0.40 0.00 1.61 5.85 -1.96 -0.23 115.31 120.88 3k1b h LEU 199 Ca 0.39 0.20 0.00 0.00 0.84 0.00 0.00 57.88 59.31 3k1b h LEU 199 Cb 0.55 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.95 3k1b h LEU 199 CO -0.16 -0.19 0.00 0.00 -0.34 0.00 0.00 178.44 177.75 3k1b n GLN 200 N -5.37 0.00 0.11 1.25 6.02 0.71 -2.72 117.38 117.37 3k1b n GLN 200 Ca 0.13 0.11 0.07 0.00 -0.01 0.00 0.00 57.00 57.30 3k1b n GLN 200 Cb 0.47 -0.90 0.39 0.00 1.02 0.00 0.00 30.24 31.22 3k1b n GLN 200 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 3k1b n GLU 201 N -0.51 0.09 0.00 -1.09 0.28 -1.11 0.24 120.64 118.55 3k1b n GLU 201 Ca 0.00 0.58 0.15 0.00 -0.16 0.00 0.00 57.16 57.73 3k1b n GLU 201 Cb 0.00 -1.80 0.84 0.00 1.43 0.00 0.00 31.44 31.91 3k1b n GLU 201 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3k1b n ALA 202 N -1.69 2.56 -0.94 -1.84 0.00 -0.10 -4.80 120.51 113.70 3k1b n ALA 202 Ca -0.01 -0.17 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 3k1b n ALA 202 Cb 0.03 -1.49 0.16 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.25 0.85 0.09 0.00 -1.52 0.65 -4.94 119.66 112.54 3k1b s GLN 203 Ca 0.38 1.06 -0.14 0.00 -1.95 0.00 0.00 55.36 54.71 3k1b s GLN 203 Cb 0.21 -1.74 -0.15 0.00 -0.22 0.00 0.00 33.01 31.11 3k1b s GLN 203 CO 0.40 -2.59 1.31 -1.00 -0.25 0.00 0.00 175.29 173.16 3k1b h PRO 204 N -1.81 0.74 -4.88 2.91 0.14 -1.87 -3.37 132.00 123.86 3k1b h PRO 204 Ca -0.50 -0.56 -0.73 0.00 0.14 0.00 0.00 66.00 64.35 3k1b h PRO 204 Cb 1.28 0.10 -0.17 0.00 0.14 0.00 0.00 31.00 32.36 3k1b h PRO 204 CO 0.50 1.18 1.40 -0.51 0.14 0.00 0.00 178.00 180.71 3k1b s LEU 205 N -8.55 4.93 0.00 1.56 1.43 -1.23 -4.90 118.68 111.92 3k1b s LEU 205 Ca -0.11 -2.88 0.00 0.00 -1.03 0.00 0.00 54.13 50.11 3k1b s LEU 205 Cb 0.08 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.88 3k1b s LEU 205 CO 0.88 -0.81 0.00 0.61 0.23 0.00 0.00 176.35 177.26 3k1b n GLY 206 N 4.33 -0.08 2.75 -3.19 0.00 -1.23 -0.70 105.19 107.07 3k1b n GLY 206 Ca 0.37 0.76 -0.29 0.00 0.00 0.00 0.00 46.02 46.86 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 3.75 0.14 1.61 0.01 -1.26 -4.81 114.94 114.38 3k1b s ASN 207 Ca 0.00 -2.75 -0.24 0.00 -0.71 0.00 0.00 52.86 49.16 3k1b s ASN 207 Cb 0.00 -1.14 0.07 0.00 0.41 0.00 0.00 41.25 40.58 3k1b s ASN 207 CO 0.00 -0.25 0.75 -0.83 -1.51 0.00 0.00 177.10 175.26 3k1b s GLY 208 N 0.17 -0.41 -0.04 0.66 0.00 -1.26 -4.94 107.32 101.50 3k1b s GLY 208 Ca 0.18 0.41 0.02 0.00 0.00 0.00 0.00 44.72 45.33 3k1b s GLY 208 CO -0.01 0.13 -0.01 0.28 0.00 0.00 0.00 173.10 173.49 3k1b n LYS 209 N -0.37 2.06 -4.03 2.90 5.02 -1.26 -4.70 118.16 117.78 3k1b n LYS 209 Ca -0.11 0.01 -0.17 0.00 -2.02 0.00 0.00 58.31 56.03 3k1b n LYS 209 Cb 0.62 -1.09 -0.16 0.00 -0.02 0.00 0.00 35.03 34.39 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 -2.09 0.40 0.24 1.97 2.20 -1.26 -0.75 119.74 120.45 3k1b s LYS 210 Ca -0.03 -0.03 0.05 0.00 -0.36 0.00 0.00 55.97 55.60 3k1b s LYS 210 Cb 0.01 -0.48 -0.05 0.00 -1.51 0.00 0.00 37.83 35.80 3k1b s LYS 210 CO 0.13 -0.05 -0.05 0.00 -0.36 0.00 0.00 175.35 175.02 3k1b s ALA 211 N 0.60 2.04 -0.04 3.13 0.00 -0.96 -4.91 121.76 121.63 3k1b s ALA 211 Ca -0.06 -1.80 -0.00 0.00 0.00 0.00 0.00 51.96 50.10 3k1b s ALA 211 Cb -0.10 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.33 3k1b s ALA 211 CO -0.01 -0.13 0.00 -1.21 0.00 0.00 0.00 175.76 174.41 3k1b s GLU 212 N -3.78 0.40 -0.19 0.00 2.02 -0.55 -1.91 118.70 114.69 3k1b s GLU 212 Ca 0.28 0.09 -0.07 0.00 0.02 0.00 0.00 54.97 55.29 3k1b s GLU 212 Cb 0.04 -0.64 -0.04 0.00 0.10 0.00 0.00 34.13 33.60 3k1b s GLU 212 CO 0.09 -0.18 0.05 -0.65 0.02 0.00 0.00 175.26 174.59 3k1b s GLN 213 N 1.33 3.87 0.26 1.61 -0.21 -1.26 -1.38 119.66 123.88 3k1b s GLN 213 Ca -0.05 -0.39 0.04 0.00 0.02 0.00 0.00 55.36 54.97 3k1b s GLN 213 Cb -0.13 -3.20 -0.05 0.00 1.00 0.00 0.00 33.01 30.62 3k1b s GLN 213 CO -0.02 0.17 0.01 1.67 -2.12 0.00 0.00 175.29 175.00 3k1b s TRP 214 N 0.64 1.69 -0.29 0.91 1.48 -1.17 -2.20 118.94 120.00 3k1b s TRP 214 Ca 0.03 -0.92 -0.27 0.00 -1.06 0.00 0.00 56.10 53.87 3k1b s TRP 214 Cb -0.13 -1.01 0.19 0.00 -1.16 0.00 0.00 33.47 31.36 3k1b s TRP 214 CO 0.02 -0.01 1.41 0.00 -4.06 0.00 0.00 176.95 174.30 3k1b s ALA 215 N -3.37 -2.18 0.20 2.67 0.00 -0.44 -2.86 121.76 115.78 3k1b s ALA 215 Ca 0.31 1.78 -0.05 0.00 0.00 0.00 0.00 51.96 54.00 3k1b s ALA 215 Cb 0.06 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 3k1b s ALA 215 CO 0.11 -0.17 0.24 0.95 0.00 0.00 0.00 175.76 176.89 3k1b s THR 216 N -0.49 0.02 0.00 0.00 -4.23 -0.66 -2.64 115.64 107.63 3k1b s THR 216 Ca 0.08 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 3k1b s THR 216 Cb -0.03 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.52 3k1b s THR 216 CO -0.12 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 3k1b n GLY 217 N -0.27 1.10 3.35 3.99 0.00 -0.56 -1.11 105.19 111.69 3k1b n GLY 217 Ca -0.01 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 3k1b n GLY 217 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1b s LEU 218 N 0.00 3.40 0.15 0.99 1.02 -0.52 -1.21 118.68 122.52 3k1b s LEU 218 Ca 0.00 -0.48 0.10 0.00 0.02 0.00 0.00 54.13 53.77 3k1b s LEU 218 Cb 0.00 -1.84 -0.04 0.00 0.02 0.00 0.00 46.19 44.33 3k1b s LEU 218 CO 0.00 -0.09 -0.23 -1.59 0.02 0.00 0.00 176.35 174.46 3k1b s LYS 219 N 1.52 1.36 -0.47 1.70 -2.85 0.08 -2.12 119.74 118.96 3k1b s LYS 219 Ca 0.04 -1.38 0.08 0.00 -1.00 0.00 0.00 55.97 53.71 3k1b s LYS 219 Cb -0.16 -1.69 0.38 0.00 -2.06 0.00 0.00 37.83 34.31 3k1b s LYS 219 CO 0.01 0.38 0.97 0.98 0.10 0.00 0.00 175.35 177.78 3k1b n TYR 220 N 0.63 2.90 -1.59 1.78 9.36 0.18 0.11 117.16 130.53 3k1b n TYR 220 Ca -0.16 -3.54 -0.20 0.00 3.32 0.00 0.00 57.90 57.32 3k1b n TYR 220 Cb 0.55 -0.34 -0.06 0.00 -0.63 0.00 0.00 39.34 38.86 3k1b n TYR 220 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3k1b s ASP 221 N -3.29 4.07 -0.21 2.98 -1.08 -1.17 -3.92 116.67 114.05 3k1b s ASP 221 Ca 0.45 0.28 -0.29 0.00 -0.52 0.00 0.00 52.55 52.47 3k1b s ASP 221 Cb 0.35 -2.54 0.14 0.00 -1.46 0.00 0.00 42.92 39.41 3k1b s ASP 221 CO -0.12 -3.59 1.08 0.00 0.52 0.00 0.00 175.17 173.05 3k1b s ALA 222 N 13.98 -1.98 -1.74 3.66 0.00 0.41 -4.50 121.76 131.59 3k1b s ALA 222 Ca 0.93 1.69 0.00 0.00 0.00 0.00 0.00 51.96 54.58 3k1b s ALA 222 Cb -0.14 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 21.96 3k1b s ALA 222 CO 0.12 -0.27 0.00 0.09 0.00 0.00 0.00 175.76 175.70 3k1b n ASN 223 N 1.02 -4.95 0.00 0.00 5.03 -1.26 0.30 115.26 115.40 3k1b n ASN 223 Ca -0.09 0.27 0.00 0.00 0.87 0.00 0.00 54.58 55.63 3k1b n ASN 223 Cb 0.58 -4.30 0.00 0.00 -1.02 0.00 0.00 39.78 35.03 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 -1.45 -0.72 -4.80 6.41 3.02 -1.26 -4.92 115.26 111.55 3k1b n ASN 224 Ca -0.19 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 53.98 3k1b n ASN 224 Cb 0.62 -0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.61 3k1b n ASN 224 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3k1b s ILE 225 N -3.13 5.24 -0.16 2.41 -1.09 0.15 -1.87 121.20 122.75 3k1b s ILE 225 Ca 0.00 0.60 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 3k1b s ILE 225 Cb 0.00 -3.62 0.03 0.00 -1.58 0.00 0.00 42.46 37.29 3k1b s ILE 225 CO 0.00 0.50 -0.12 -0.47 -1.23 0.00 0.00 174.94 173.62 3k1b s TYR 226 N -0.36 2.18 -0.11 3.97 6.04 -0.76 -0.44 117.35 127.86 3k1b s TYR 226 Ca 0.19 -1.29 0.01 0.00 0.04 0.00 0.00 57.07 56.02 3k1b s TYR 226 Cb -0.14 -1.57 0.02 0.00 -1.04 0.00 0.00 41.96 39.22 3k1b s TYR 226 CO 0.07 -0.68 -0.14 -0.51 -1.54 0.00 0.00 175.55 172.76 3k1b s LEU 227 N 1.48 1.64 -0.12 6.97 1.43 -1.25 -2.01 118.68 126.82 3k1b s LEU 227 Ca 0.03 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 52.64 3k1b s LEU 227 Cb -0.14 -1.03 0.04 0.00 0.03 0.00 0.00 46.19 45.09 3k1b s LEU 227 CO -0.10 -0.00 0.31 0.00 0.23 0.00 0.00 176.35 176.79 3k1b s ALA 228 N 1.07 -0.75 0.01 4.21 0.00 -0.40 0.50 121.76 126.40 3k1b s ALA 228 Ca -0.05 1.00 -0.10 0.00 0.00 0.00 0.00 51.96 52.81 3k1b s ALA 228 Cb -0.15 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.38 3k1b s ALA 228 CO -0.02 -0.18 0.20 0.00 0.00 0.00 0.00 175.76 175.76 3k1b s ALA 229 N 0.63 -0.46 0.03 0.00 0.00 -0.90 -1.00 121.76 120.05 3k1b s ALA 229 Ca -0.04 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.90 3k1b s ALA 229 Cb -0.05 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 3k1b s ALA 229 CO -0.04 -0.27 -0.10 -0.80 0.00 0.00 0.00 175.76 174.55 3k1b s ASN 230 N -1.59 1.11 -0.00 0.00 0.02 -1.12 -1.43 114.94 111.92 3k1b s ASN 230 Ca -0.11 -0.37 0.01 0.00 -1.02 0.00 0.00 52.86 51.37 3k1b s ASN 230 Cb -0.05 -0.05 -0.00 0.00 0.02 0.00 0.00 41.25 41.16 3k1b s ASN 230 CO 0.01 -0.02 -0.05 -0.47 0.02 0.00 0.00 177.10 176.58 3k1b s TYR 231 N -0.78 0.42 -0.29 2.20 6.04 -0.26 -2.62 117.35 122.07 3k1b s TYR 231 Ca -0.02 -0.09 -0.17 0.00 0.04 0.00 0.00 57.07 56.83 3k1b s TYR 231 Cb -0.07 -0.27 0.14 0.00 -1.04 0.00 0.00 41.96 40.72 3k1b s TYR 231 CO 0.00 -0.01 0.96 0.20 -1.54 0.00 0.00 175.55 175.16 3k1b s GLY 232 N -0.16 -0.07 0.58 8.97 0.00 -0.88 -1.65 107.32 114.11 3k1b s GLY 232 Ca 0.01 3.03 0.09 0.00 0.00 0.00 0.00 44.72 47.85 3k1b s GLY 232 CO -0.00 2.48 0.73 -0.54 0.00 0.00 0.00 173.10 175.77 3k1b s GLU 233 N 1.23 2.25 0.18 2.90 2.02 -1.14 -0.99 118.70 125.16 3k1b s GLU 233 Ca -0.08 -1.77 -0.18 0.00 0.02 0.00 0.00 54.97 52.96 3k1b s GLU 233 Cb -0.04 -2.52 0.04 0.00 0.10 0.00 0.00 34.13 31.71 3k1b s GLU 233 CO -0.14 -0.87 0.53 0.95 0.02 0.00 0.00 175.26 175.74 3k1b s THR 234 N -2.72 0.03 -0.24 3.63 -4.23 -0.09 -3.02 115.64 109.00 3k1b s THR 234 Ca 0.56 -0.64 -0.03 0.00 -1.18 0.00 0.00 61.69 60.41 3k1b s THR 234 Cb -0.05 -1.45 0.11 0.00 1.34 0.00 0.00 72.50 72.46 3k1b s THR 234 CO 0.36 -0.12 0.27 -0.13 -0.54 0.00 0.00 174.62 174.45 3k1b s ARG 235 N -3.85 0.26 -1.30 3.99 1.81 -0.48 -2.26 118.95 117.13 3k1b s ARG 235 Ca 0.07 0.13 -0.06 0.00 -1.72 0.00 0.00 55.73 54.15 3k1b s ARG 235 Cb -0.01 -0.92 0.01 0.00 -0.45 0.00 0.00 34.95 33.58 3k1b s ARG 235 CO -0.05 -0.78 0.85 0.09 -0.68 0.00 0.00 175.30 174.73 3k1b n ASN 236 N 5.32 -5.86 0.10 0.23 4.13 0.02 -1.48 115.26 117.72 3k1b n ASN 236 Ca -0.04 -0.39 0.00 0.00 1.68 0.00 0.00 54.58 55.83 3k1b n ASN 236 Cb 0.48 -4.56 0.00 0.00 -1.54 0.00 0.00 39.78 34.16 3k1b n ASN 236 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k1b n ALA 237 N -4.19 3.00 -0.92 5.41 0.00 -1.26 -4.66 120.51 117.88 3k1b n ALA 237 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.04 3k1b n ALA 237 Cb 0.58 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 3k1b n ALA 237 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3k1b n THR 238 N -3.19 0.00 -3.34 0.00 -1.04 -1.26 -4.77 114.28 100.69 3k1b n THR 238 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 3k1b n THR 238 Cb 0.00 -0.08 -0.06 0.00 -1.82 0.00 0.00 70.33 68.37 3k1b n THR 238 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3k1b s PRO 239 N 0.47 4.32 0.51 -2.82 0.04 -1.26 -2.83 135.00 133.42 3k1b s PRO 239 Ca 0.56 0.40 0.04 0.00 0.04 0.00 0.00 61.00 62.04 3k1b s PRO 239 Cb -0.78 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.31 3k1b s PRO 239 CO 0.37 0.14 0.23 0.96 0.04 0.00 0.00 177.00 178.75 3k1b s ILE 240 N 0.69 1.62 0.26 0.56 -4.36 -0.74 -4.90 121.20 114.33 3k1b s ILE 240 Ca 0.25 -1.70 -0.12 0.00 -0.26 0.00 0.00 60.65 58.82 3k1b s ILE 240 Cb -0.15 -2.31 -0.00 0.00 1.25 0.00 0.00 42.46 41.24 3k1b s ILE 240 CO 0.09 0.00 0.47 -0.89 0.24 0.00 0.00 174.94 174.86 3k1b s THR 241 N -2.77 0.00 -0.37 8.37 2.01 -1.26 -3.30 115.64 118.31 3k1b s THR 241 Ca 0.26 -1.43 0.12 0.00 0.31 0.00 0.00 61.69 60.95 3k1b s THR 241 Cb 0.00 -2.26 0.37 0.00 0.01 0.00 0.00 72.50 70.62 3k1b s THR 241 CO 0.15 0.00 0.88 -3.20 -0.69 0.00 0.00 174.62 171.76 3k1b n ASN 242 N -0.48 0.31 0.11 3.53 2.85 -1.10 -4.57 115.26 115.92 3k1b n ASN 242 Ca -0.01 -3.01 0.01 0.00 -0.11 0.00 0.00 54.58 51.46 3k1b n ASN 242 Cb 0.62 -0.11 0.08 0.00 1.24 0.00 0.00 39.78 41.61 3k1b n ASN 242 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3k1b n LYS 243 N 0.16 0.03 -0.05 1.20 5.02 -0.97 0.41 118.16 123.96 3k1b n LYS 243 Ca 0.17 0.38 -0.07 0.00 -2.02 0.00 0.00 58.31 56.76 3k1b n LYS 243 Cb 0.72 -2.13 -0.06 0.00 -0.02 0.00 0.00 35.03 33.53 3k1b n LYS 243 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 3k1b h PHE 244 N 0.00 -0.02 -0.01 2.13 0.04 -1.92 -3.23 116.94 113.94 3k1b h PHE 244 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3k1b h PHE 244 Cb 1.10 0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.26 3k1b h PHE 244 CO 0.00 0.44 -0.04 0.25 -0.60 0.00 0.00 178.31 178.37 3k1b n THR 245 N -4.72 0.00 -3.55 -1.55 -2.24 0.18 -4.97 114.28 97.43 3k1b n THR 245 Ca -0.05 -0.19 -0.26 0.00 -2.27 0.00 0.00 64.05 61.28 3k1b n THR 245 Cb 0.22 0.31 0.01 0.00 -2.10 0.00 0.00 70.33 68.78 3k1b n THR 245 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3k1b n ASN 246 N -0.16 -5.62 -3.86 3.42 4.05 1.38 -4.97 115.26 109.50 3k1b n ASN 246 Ca 0.19 -0.47 -0.13 0.00 0.45 0.00 0.00 54.58 54.61 3k1b n ASN 246 Cb 0.31 -2.32 -0.08 0.00 1.23 0.00 0.00 39.78 38.93 3k1b n ASN 246 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 3k1b s THR 247 N -2.42 0.00 0.24 -0.44 -4.23 -1.23 -4.96 115.64 102.60 3k1b s THR 247 Ca 0.16 -1.83 -0.16 0.00 -1.18 0.00 0.00 61.69 58.68 3k1b s THR 247 Cb -0.02 -2.47 0.06 0.00 1.34 0.00 0.00 72.50 71.42 3k1b s THR 247 CO 0.87 0.00 0.81 -1.54 -0.54 0.00 0.00 174.62 174.22 3k1b n SER 248 N -0.70 -1.72 0.00 3.99 3.41 -1.26 -2.71 113.62 114.62 3k1b n SER 248 Ca 0.02 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 3k1b n SER 248 Cb 0.64 2.83 0.00 0.00 -0.26 0.00 0.00 64.21 67.42 3k1b n SER 248 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k1b n GLY 249 N -0.56 0.99 3.07 5.00 0.00 -1.21 -3.50 105.19 108.98 3k1b n GLY 249 Ca -0.04 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 0.73 -0.54 1.61 0.40 0.12 -1.79 117.98 118.52 3k1b s PHE 250 Ca 0.00 -0.48 -0.21 0.00 -0.60 0.00 0.00 56.93 55.65 3k1b s PHE 250 Cb 0.00 -0.44 0.06 0.00 0.51 0.00 0.00 43.02 43.16 3k1b s PHE 250 CO 0.00 -0.06 0.75 0.00 0.70 0.00 0.00 175.22 176.61 3k1b s ALA 251 N -1.31 3.30 0.00 5.36 0.00 -1.13 -3.47 121.76 124.51 3k1b s ALA 251 Ca -0.08 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.20 3k1b s ALA 251 Cb -0.10 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3k1b s ALA 251 CO 0.01 -2.22 0.34 0.09 0.00 0.00 0.00 175.76 173.98 3k1b n ASN 252 N 6.68 0.00 -4.73 0.00 3.02 -1.26 -3.49 115.26 115.48 3k1b n ASN 252 Ca -0.04 0.34 -0.34 0.00 -0.03 0.00 0.00 54.58 54.50 3k1b n ASN 252 Cb 0.46 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.54 3k1b n ASN 252 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3k1b s LYS 253 N -0.92 3.02 -0.03 3.52 2.36 -1.16 -0.80 119.74 125.73 3k1b s LYS 253 Ca 0.00 -0.43 -0.14 0.00 -2.55 0.00 0.00 55.97 52.85 3k1b s LYS 253 Cb 0.00 -2.83 0.02 0.00 -1.05 0.00 0.00 37.83 33.97 3k1b s LYS 253 CO 0.00 0.69 0.31 0.95 1.55 0.00 0.00 175.35 178.85 3k1b s THR 254 N -1.01 0.05 0.22 3.43 -4.23 -0.96 0.25 115.64 113.40 3k1b s THR 254 Ca 0.17 -0.39 0.10 0.00 -1.18 0.00 0.00 61.69 60.38 3k1b s THR 254 Cb -0.12 -0.59 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 3k1b s THR 254 CO 0.06 -0.22 -0.12 -1.10 -0.54 0.00 0.00 174.62 172.71 3k1b s GLN 255 N -1.06 1.95 -0.03 3.99 -0.21 -0.56 -0.91 119.66 122.83 3k1b s GLN 255 Ca -0.11 -1.45 0.01 0.00 0.02 0.00 0.00 55.36 53.83 3k1b s GLN 255 Cb -0.05 -2.03 0.02 0.00 1.00 0.00 0.00 33.01 31.95 3k1b s GLN 255 CO 0.04 0.39 -0.02 -0.51 -2.12 0.00 0.00 175.29 173.07 3k1b s ASP 256 N -3.15 0.55 0.23 5.90 1.11 -0.16 -2.18 116.67 118.97 3k1b s ASP 256 Ca 0.27 -0.06 0.04 0.00 0.18 0.00 0.00 52.55 52.98 3k1b s ASP 256 Cb -0.07 -0.23 -0.05 0.00 1.07 0.00 0.00 42.92 43.63 3k1b s ASP 256 CO 0.15 -0.05 -0.03 -0.69 1.18 0.00 0.00 175.17 175.74 3k1b s VAL 257 N 0.71 1.16 -0.13 -1.27 1.01 -0.98 -2.06 120.40 118.84 3k1b s VAL 257 Ca -0.08 -2.05 -0.09 0.00 0.00 0.00 0.00 61.98 59.75 3k1b s VAL 257 Cb -0.11 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 34.01 3k1b s VAL 257 CO -0.01 -0.37 0.33 -0.76 0.00 0.00 0.00 175.10 174.29 3k1b s LEU 258 N -3.31 0.47 -0.01 3.92 2.01 -1.08 -3.18 118.68 117.51 3k1b s LEU 258 Ca 0.27 0.68 0.07 0.00 0.01 0.00 0.00 54.13 55.16 3k1b s LEU 258 Cb 0.05 1.09 -0.02 0.00 0.01 0.00 0.00 46.19 47.32 3k1b s LEU 258 CO 0.08 -0.14 -0.22 -0.76 1.01 0.00 0.00 176.35 176.32 3k1b s LEU 259 N 0.72 2.06 -0.15 1.79 1.43 -1.13 -2.80 118.68 120.61 3k1b s LEU 259 Ca -0.04 -0.42 -0.23 0.00 -1.03 0.00 0.00 54.13 52.40 3k1b s LEU 259 Cb -0.06 -1.12 0.06 0.00 0.03 0.00 0.00 46.19 45.11 3k1b s LEU 259 CO -0.05 0.25 0.60 -0.69 0.23 0.00 0.00 176.35 176.69 3k1b s VAL 260 N -0.57 0.01 -0.01 -1.59 1.01 -0.17 -1.60 120.40 117.48 3k1b s VAL 260 Ca 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.01 3k1b s VAL 260 Cb -0.09 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.44 3k1b s VAL 260 CO -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 175.10 175.06 3k1b s ALA 261 N -0.32 0.20 0.02 5.51 0.00 -0.30 -1.27 121.76 125.61 3k1b s ALA 261 Ca -0.05 0.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.87 3k1b s ALA 261 Cb -0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 3k1b s ALA 261 CO 0.04 -0.00 0.12 -0.65 0.00 0.00 0.00 175.76 175.27 3k1b s GLN 262 N 0.36 0.54 -0.04 0.00 -0.21 -0.85 -1.54 119.66 117.91 3k1b s GLN 262 Ca -0.03 -0.57 0.06 0.00 0.02 0.00 0.00 55.36 54.83 3k1b s GLN 262 Cb -0.06 0.22 -0.01 0.00 1.00 0.00 0.00 33.01 34.16 3k1b s GLN 262 CO -0.01 -0.13 -0.21 -0.47 -2.12 0.00 0.00 175.29 172.34 3k1b s TYR 263 N -1.99 2.05 -0.60 0.91 5.04 -1.21 -1.84 117.35 119.72 3k1b s TYR 263 Ca -0.10 -0.54 -0.13 0.00 -2.44 0.00 0.00 57.07 53.86 3k1b s TYR 263 Cb -0.05 -1.35 0.15 0.00 0.35 0.00 0.00 41.96 41.07 3k1b s TYR 263 CO -0.01 -0.15 0.52 -1.14 -1.34 0.00 0.00 175.55 173.43 3k1b s GLN 264 N -0.19 2.97 1.06 4.97 2.00 -0.78 -3.44 119.66 126.24 3k1b s GLN 264 Ca -0.00 -1.98 -0.16 0.00 -2.00 0.00 0.00 55.36 51.22 3k1b s GLN 264 Cb -0.11 -4.18 0.22 0.00 0.80 0.00 0.00 33.01 29.73 3k1b s GLN 264 CO 0.02 -1.27 1.16 -0.06 -0.50 0.00 0.00 175.29 174.64 3k1b s PHE 265 N 1.04 1.39 0.36 1.67 0.08 0.53 -4.87 117.98 118.18 3k1b s PHE 265 Ca 0.09 0.59 0.04 0.00 0.12 0.00 0.00 56.93 57.77 3k1b s PHE 265 Cb -0.23 -3.57 0.71 0.00 -0.57 0.00 0.00 43.02 39.36 3k1b s PHE 265 CO -0.02 -3.15 1.99 -0.44 -0.10 0.00 0.00 175.22 173.51 3k1b h ASP 266 N -2.05 0.67 -0.01 1.36 3.32 -1.97 -2.55 116.42 115.20 3k1b h ASP 266 Ca -0.47 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3k1b h ASP 266 Cb 1.29 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3k1b h ASP 266 CO 0.44 0.46 -0.07 2.22 -1.72 0.00 0.00 179.24 180.58 3k1b n PHE 267 N -4.46 0.00 0.00 4.55 -1.74 -1.26 -4.95 117.46 109.60 3k1b n PHE 267 Ca 0.08 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.97 3k1b n PHE 267 Cb 0.12 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.12 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 0.66 1.91 3.87 4.97 0.00 -0.96 -4.84 105.19 110.80 3k1b n GLY 268 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3k1b n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1b s LEU 269 N 0.00 4.02 -0.45 0.99 1.43 -1.25 -1.28 118.68 122.14 3k1b s LEU 269 Ca 0.00 1.08 0.04 0.00 -1.03 0.00 0.00 54.13 54.22 3k1b s LEU 269 Cb 0.00 -3.90 0.24 0.00 0.03 0.00 0.00 46.19 42.57 3k1b s LEU 269 CO 0.00 -0.23 0.96 -1.14 0.23 0.00 0.00 176.35 176.17 3k1b n ARG 270 N -0.66 0.60 -0.75 1.70 0.63 -1.21 0.20 116.66 117.18 3k1b n ARG 270 Ca 0.02 -1.49 -0.30 0.00 -0.92 0.00 0.00 57.85 55.16 3k1b n ARG 270 Cb 0.53 -1.15 0.25 0.00 0.45 0.00 0.00 32.46 32.54 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 0.58 -1.51 -0.19 -0.14 0.04 -1.22 -3.33 135.00 129.22 3k1b s PRO 271 Ca 0.30 0.28 -0.14 0.00 0.04 0.00 0.00 61.00 61.48 3k1b s PRO 271 Cb 0.21 -1.53 0.06 0.00 0.04 0.00 0.00 34.50 33.27 3k1b s PRO 271 CO -0.20 -3.97 0.49 0.45 0.04 0.00 0.00 177.00 173.81 3k1b s SER 272 N -3.28 -0.58 -0.22 6.66 0.15 0.72 -3.31 113.70 113.84 3k1b s SER 272 Ca 0.69 1.04 -0.06 0.00 0.70 0.00 0.00 55.95 58.32 3k1b s SER 272 Cb -0.16 0.97 -0.02 0.00 -1.71 0.00 0.00 66.02 65.11 3k1b s SER 272 CO 0.59 -0.19 0.02 -0.63 1.20 0.00 0.00 173.24 174.22 3k1b s ILE 273 N 0.94 3.98 -0.04 6.45 -1.09 -0.59 -1.63 121.20 129.22 3k1b s ILE 273 Ca -0.05 -0.29 -0.03 0.00 -2.23 0.00 0.00 60.65 58.04 3k1b s ILE 273 Cb -0.06 -2.83 0.01 0.00 -1.58 0.00 0.00 42.46 38.01 3k1b s ILE 273 CO -0.08 0.40 0.10 0.00 -1.23 0.00 0.00 174.94 174.13 3k1b s ALA 274 N 1.28 -0.23 0.44 9.38 0.00 -0.32 -1.15 121.76 131.16 3k1b s ALA 274 Ca 0.04 0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.38 3k1b s ALA 274 Cb -0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 3k1b s ALA 274 CO 0.01 -0.06 0.23 -0.47 0.00 0.00 0.00 175.76 175.47 3k1b s TYR 275 N 0.21 2.40 0.00 0.00 5.04 -0.63 0.49 117.35 124.86 3k1b s TYR 275 Ca -0.01 -0.65 0.00 0.00 -2.44 0.00 0.00 57.07 53.97 3k1b s TYR 275 Cb -0.02 -1.95 0.00 0.00 0.35 0.00 0.00 41.96 40.33 3k1b s TYR 275 CO -0.01 0.04 0.00 2.41 -1.34 0.00 0.00 175.55 176.66 3k1b n THR 276 N -1.36 0.00 -3.79 4.34 -1.04 -1.15 -2.82 114.28 108.45 3k1b n THR 276 Ca -0.02 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.71 3k1b n THR 276 Cb 0.64 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.99 3k1b n THR 276 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3k1b s LYS 277 N 0.00 0.92 -0.44 -2.82 2.20 -1.19 -2.38 119.74 116.03 3k1b s LYS 277 Ca 0.00 -0.50 -0.05 0.00 -0.36 0.00 0.00 55.97 55.06 3k1b s LYS 277 Cb 0.00 -2.10 0.12 0.00 -1.51 0.00 0.00 37.83 34.34 3k1b s LYS 277 CO 0.00 -0.58 0.27 0.45 -0.36 0.00 0.00 175.35 175.13 3k1b s SER 278 N 1.76 5.43 0.05 1.43 0.15 0.33 -2.33 113.70 120.51 3k1b s SER 278 Ca -0.01 -2.03 -0.14 0.00 0.70 0.00 0.00 55.95 54.47 3k1b s SER 278 Cb -0.17 -1.90 -0.06 0.00 -1.71 0.00 0.00 66.02 62.18 3k1b s SER 278 CO -0.07 -0.59 0.44 -1.59 1.20 0.00 0.00 173.24 172.63 3k1b s LYS 279 N 1.16 3.91 -0.15 5.44 -2.85 -0.93 0.55 119.74 126.89 3k1b s LYS 279 Ca 0.08 0.39 -0.06 0.00 -1.00 0.00 0.00 55.97 55.38 3k1b s LYS 279 Cb -0.24 -3.12 -0.04 0.00 -2.06 0.00 0.00 37.83 32.37 3k1b s LYS 279 CO -0.03 0.62 0.06 0.00 0.10 0.00 0.00 175.35 176.10 3k1b s ALA 280 N -1.22 3.46 -0.15 0.59 0.00 -0.56 -1.50 121.76 122.38 3k1b s ALA 280 Ca 0.29 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 3k1b s ALA 280 Cb -0.16 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 3k1b s ALA 280 CO 0.16 0.37 -0.07 0.15 0.00 0.00 0.00 175.76 176.36 3k1b s LYS 281 N -0.21 3.55 0.00 0.00 1.02 0.14 -2.25 119.74 121.99 3k1b s LYS 281 Ca 0.08 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.48 3k1b s LYS 281 Cb -0.12 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 3k1b s LYS 281 CO 0.01 0.21 0.00 -0.25 -0.92 0.00 0.00 175.35 174.40 3k1b n ASP 282 N 3.61 -0.40 -4.74 2.83 8.00 -0.09 -2.97 116.55 122.78 3k1b n ASP 282 Ca -0.18 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 54.91 3k1b n ASP 282 Cb 0.52 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.00 3.19 -0.57 2.53 1.01 -0.17 -4.75 120.40 119.64 3k1b s VAL 283 Ca 0.00 1.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.72 3k1b s VAL 283 Cb 0.00 -3.65 -0.11 0.00 0.00 0.00 0.00 36.38 32.61 3k1b s VAL 283 CO 0.00 0.18 2.43 -1.84 0.00 0.00 0.00 175.10 175.87 3k1b n GLU 284 N 2.20 0.86 -2.45 2.72 0.00 -1.26 -1.47 120.64 121.24 3k1b n GLU 284 Ca 0.04 0.08 -0.03 0.00 0.00 0.00 0.00 57.16 57.26 3k1b n GLU 284 Cb 0.43 -2.80 0.01 0.00 0.00 0.00 0.00 31.44 29.08 3k1b n GLU 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3k1b n GLY 285 N 6.21 0.60 0.00 -1.84 0.00 -1.26 -4.89 105.19 104.00 3k1b n GLY 285 Ca 0.44 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3k1b n GLY 285 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3k1b n ILE 286 N -2.24 0.00 0.00 -0.61 -0.00 -0.54 -5.07 119.36 110.89 3k1b n ILE 286 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.74 3k1b n ILE 286 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.15 3k1b n ILE 286 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3k1b n GLY 287 N 0.03 1.74 2.83 7.39 0.00 -1.10 -4.74 105.19 111.35 3k1b n GLY 287 Ca 0.00 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 2.71 0.01 1.61 1.11 -1.26 -0.92 116.67 115.94 3k1b s ASP 288 Ca 0.00 -0.65 0.05 0.00 0.18 0.00 0.00 52.55 52.13 3k1b s ASP 288 Cb 0.00 -0.75 -0.02 0.00 1.07 0.00 0.00 42.92 43.22 3k1b s ASP 288 CO 0.00 -0.23 -0.15 0.68 1.18 0.00 0.00 175.17 176.65 3k1b s VAL 289 N 1.74 1.17 -0.38 -1.27 -7.23 -0.95 -4.93 120.40 108.56 3k1b s VAL 289 Ca 0.00 -0.80 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 3k1b s VAL 289 Cb -0.16 -1.01 0.01 0.00 0.56 0.00 0.00 36.38 35.78 3k1b s VAL 289 CO -0.07 0.20 1.33 -1.81 -0.31 0.00 0.00 175.10 174.44 3k1b s ASP 290 N -0.70 6.50 0.35 4.85 1.01 -1.26 -1.50 116.67 125.92 3k1b s ASP 290 Ca 0.04 0.93 0.18 0.00 0.71 0.00 0.00 52.55 54.41 3k1b s ASP 290 Cb -0.07 -2.54 0.49 0.00 1.01 0.00 0.00 42.92 41.81 3k1b s ASP 290 CO 0.00 -1.27 1.64 -0.07 0.21 0.00 0.00 175.17 175.68 3k1b h LEU 291 N 11.56 0.00 -6.98 1.23 3.38 -0.23 -3.46 115.31 120.82 3k1b h LEU 291 Ca -0.26 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.85 3k1b h LEU 291 Cb 1.10 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.56 3k1b h LEU 291 CO 1.07 0.40 0.48 0.54 0.09 0.00 0.00 178.44 181.02 3k1b s VAL 292 N -3.37 -0.01 -0.04 1.22 0.11 -0.99 -4.93 120.40 112.39 3k1b s VAL 292 Ca 0.02 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 3k1b s VAL 292 Cb 0.10 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.97 3k1b s VAL 292 CO 0.70 0.00 -0.00 0.21 -3.33 0.00 0.00 175.10 172.68 3k1b s ASN 293 N 1.30 0.80 -0.19 3.54 2.47 -1.24 0.12 114.94 121.73 3k1b s ASN 293 Ca -0.09 -0.05 -0.27 0.00 0.42 0.00 0.00 52.86 52.87 3k1b s ASN 293 Cb -0.03 -0.30 0.09 0.00 -1.45 0.00 0.00 41.25 39.55 3k1b s ASN 293 CO -0.14 -0.12 0.79 -0.72 -3.72 0.00 0.00 177.10 173.19 3k1b s TYR 294 N 1.27 -0.65 0.63 0.43 -0.85 -1.00 -1.16 117.35 116.01 3k1b s TYR 294 Ca -0.06 1.42 -0.13 0.00 -0.52 0.00 0.00 57.07 57.78 3k1b s TYR 294 Cb -0.13 0.35 -0.02 0.00 0.38 0.00 0.00 41.96 42.53 3k1b s TYR 294 CO -0.02 -0.42 1.05 -0.06 -1.52 0.00 0.00 175.55 174.58 3k1b s PHE 295 N -0.27 3.19 0.13 -3.49 0.40 -0.91 -2.95 117.98 114.07 3k1b s PHE 295 Ca -0.03 1.44 0.05 0.00 -0.60 0.00 0.00 56.93 57.79 3k1b s PHE 295 Cb -0.03 -2.89 -0.04 0.00 0.51 0.00 0.00 43.02 40.57 3k1b s PHE 295 CO 0.03 -1.01 -0.12 -2.00 0.70 0.00 0.00 175.22 172.81 3k1b s GLU 296 N -4.63 1.02 -0.17 0.44 -6.30 1.82 -2.62 118.70 108.25 3k1b s GLU 296 Ca 0.59 -1.30 -0.14 0.00 -2.50 0.00 0.00 54.97 51.62 3k1b s GLU 296 Cb -0.14 -0.77 0.05 0.00 0.00 0.00 0.00 34.13 33.27 3k1b s GLU 296 CO 0.46 0.13 0.45 0.08 0.02 0.00 0.00 175.26 176.40 3k1b s VAL 297 N -2.55 -0.01 -3.66 3.70 1.01 -1.03 -1.18 120.40 116.68 3k1b s VAL 297 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3k1b s VAL 297 Cb -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.72 3k1b s VAL 297 CO 0.02 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.74 3k1b n GLY 298 N 3.17 -1.67 3.49 4.51 0.00 -0.65 -2.15 105.19 111.89 3k1b n GLY 298 Ca -0.16 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.29 -1.76 0.24 4.61 0.00 0.13 0.26 121.76 123.94 3k1b s ALA 299 Ca 0.00 0.96 0.05 0.00 0.00 0.00 0.00 51.96 52.97 3k1b s ALA 299 Cb 0.00 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 3k1b s ALA 299 CO 0.00 -0.63 0.32 0.99 0.00 0.00 0.00 175.76 176.45 3k1b s THR 300 N -2.83 5.11 -0.05 0.00 2.01 -1.21 -0.31 115.64 118.36 3k1b s THR 300 Ca 0.01 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 60.97 3k1b s THR 300 Cb -0.01 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.76 3k1b s THR 300 CO -0.07 -0.32 -0.04 -0.47 -0.69 0.00 0.00 174.62 173.04 3k1b s TYR 301 N -1.99 0.75 -1.04 4.92 6.04 0.45 -3.31 117.35 123.17 3k1b s TYR 301 Ca 0.34 -0.21 -0.10 0.00 0.04 0.00 0.00 57.07 57.14 3k1b s TYR 301 Cb -0.09 -0.69 0.26 0.00 -1.04 0.00 0.00 41.96 40.40 3k1b s TYR 301 CO 0.28 -0.21 1.02 0.71 -1.54 0.00 0.00 175.55 175.81 3k1b s TYR 302 N 1.05 4.15 0.53 4.97 2.02 -0.40 -2.20 117.35 127.48 3k1b s TYR 302 Ca -0.09 -2.58 0.43 0.00 -0.37 0.00 0.00 57.07 54.46 3k1b s TYR 302 Cb -0.14 -3.80 1.46 0.00 -0.40 0.00 0.00 41.96 39.08 3k1b s TYR 302 CO -0.01 -0.95 1.41 1.19 -1.57 0.00 0.00 175.55 175.63 3k1b n PHE 303 N 2.93 0.00 0.00 2.71 3.72 -1.20 -4.73 117.46 120.89 3k1b n PHE 303 Ca 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.62 3k1b n PHE 303 Cb 0.41 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 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 -3.65 0.00 0.01 4.37 0.23 -1.23 -4.85 115.26 110.13 3k1b n ASN 304 Ca 0.38 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.53 3k1b n ASN 304 Cb 1.80 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 39.41 3k1b n ASN 304 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 3k1b n LYS 305 N 0.00 0.33 -0.07 -3.83 4.81 -1.26 -4.60 118.16 113.55 3k1b n LYS 305 Ca 0.00 -0.07 -0.08 0.00 -0.87 0.00 0.00 58.31 57.29 3k1b n LYS 305 Cb 0.00 -1.54 -0.10 0.00 0.02 0.00 0.00 35.03 33.41 3k1b n LYS 305 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k1b n ASN 306 N -1.93 2.01 -4.50 3.14 4.13 -1.26 -4.90 115.26 111.94 3k1b n ASN 306 Ca 0.00 -0.02 -0.24 0.00 1.68 0.00 0.00 54.58 56.00 3k1b n ASN 306 Cb 0.45 0.57 -0.10 0.00 -1.54 0.00 0.00 39.78 39.16 3k1b n ASN 306 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 3k1b s MET 307 N -2.32 1.77 0.23 3.52 1.75 -1.26 0.77 119.30 123.76 3k1b s MET 307 Ca -0.10 -1.75 -0.22 0.00 -1.25 0.00 0.00 55.69 52.37 3k1b s MET 307 Cb 0.04 -1.81 0.06 0.00 2.84 0.00 0.00 34.83 35.96 3k1b s MET 307 CO 0.50 0.31 0.89 -1.54 -0.65 0.00 0.00 175.02 174.53 3k1b s SER 308 N -3.54 -0.12 0.13 1.11 1.04 -1.01 -3.21 113.70 108.10 3k1b s SER 308 Ca 0.31 -0.65 -0.15 0.00 0.48 0.00 0.00 55.95 55.94 3k1b s SER 308 Cb -0.04 0.61 0.03 0.00 0.10 0.00 0.00 66.02 66.72 3k1b s SER 308 CO 0.16 -1.17 0.39 0.42 0.98 0.00 0.00 173.24 174.02 3k1b s THR 309 N -3.01 0.07 0.04 2.02 -4.23 -0.94 -2.46 115.64 107.14 3k1b s THR 309 Ca 0.15 -0.66 -0.03 0.00 -1.18 0.00 0.00 61.69 59.97 3k1b s THR 309 Cb -0.03 -1.23 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 3k1b s THR 309 CO 0.06 -0.33 0.03 -0.72 -0.54 0.00 0.00 174.62 173.12 3k1b s TYR 310 N -3.82 0.34 -0.05 3.99 -0.85 -0.19 -0.41 117.35 116.37 3k1b s TYR 310 Ca 0.04 -0.74 0.01 0.00 -0.52 0.00 0.00 57.07 55.86 3k1b s TYR 310 Cb 0.02 -0.24 0.02 0.00 0.38 0.00 0.00 41.96 42.13 3k1b s TYR 310 CO -0.11 -0.35 -0.07 0.08 -1.52 0.00 0.00 175.55 173.58 3k1b s VAL 311 N -3.00 0.70 -0.10 -3.49 1.01 0.58 -0.83 120.40 115.25 3k1b s VAL 311 Ca -0.02 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 3k1b s VAL 311 Cb 0.01 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.74 3k1b s VAL 311 CO -0.07 0.25 0.28 -0.62 0.00 0.00 0.00 175.10 174.95 3k1b s ASP 312 N 0.77 -0.29 -0.02 3.32 2.15 -0.67 0.21 116.67 122.14 3k1b s ASP 312 Ca -0.12 0.56 -0.25 0.00 0.43 0.00 0.00 52.55 53.17 3k1b s ASP 312 Cb -0.14 0.56 0.05 0.00 -0.30 0.00 0.00 42.92 43.10 3k1b s ASP 312 CO 0.01 -0.10 0.55 -0.47 -0.17 0.00 0.00 175.17 175.00 3k1b s TYR 313 N 0.15 -0.49 -0.17 -5.34 5.04 -0.91 0.22 117.35 115.85 3k1b s TYR 313 Ca -0.00 0.79 -0.02 0.00 -2.44 0.00 0.00 57.07 55.39 3k1b s TYR 313 Cb -0.02 0.31 0.05 0.00 0.35 0.00 0.00 41.96 42.66 3k1b s TYR 313 CO 0.00 -0.56 0.01 0.42 -1.34 0.00 0.00 175.55 174.09 3k1b s ILE 314 N -1.44 0.60 -0.53 3.14 -1.09 -0.74 -2.47 121.20 118.68 3k1b s ILE 314 Ca -0.11 -0.45 -0.25 0.00 -2.23 0.00 0.00 60.65 57.61 3k1b s ILE 314 Cb -0.02 -0.99 0.03 0.00 -1.58 0.00 0.00 42.46 39.91 3k1b s ILE 314 CO 0.06 -0.07 0.99 -0.63 -1.23 0.00 0.00 174.94 174.07 3k1b s ILE 315 N 1.84 4.33 -0.25 2.92 1.01 -1.08 -3.02 121.20 126.95 3k1b s ILE 315 Ca 0.00 0.55 -0.22 0.00 0.00 0.00 0.00 60.65 60.99 3k1b s ILE 315 Cb -0.16 -4.55 -0.02 0.00 0.01 0.00 0.00 42.46 37.75 3k1b s ILE 315 CO -0.07 -1.08 0.69 0.21 0.00 0.00 0.00 174.94 174.69 3k1b s ASN 316 N 2.70 6.66 0.00 3.58 2.47 -1.26 -2.15 114.94 126.93 3k1b s ASN 316 Ca 0.35 0.81 0.29 0.00 0.42 0.00 0.00 52.86 54.73 3k1b s ASN 316 Cb -0.11 -2.37 1.22 0.00 -1.45 0.00 0.00 41.25 38.55 3k1b s ASN 316 CO 0.23 -0.41 1.87 0.00 -3.72 0.00 0.00 177.10 175.07 3k1b n GLN 317 N 5.77 0.39 -2.51 0.43 1.13 -0.31 -4.88 117.38 117.40 3k1b n GLN 317 Ca 0.01 -0.10 -0.23 0.00 -1.94 0.00 0.00 57.00 54.75 3k1b n GLN 317 Cb 0.49 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.41 3k1b n GLN 317 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3k1b s ILE 318 N -2.67 2.39 -0.00 5.09 -1.09 -1.24 -4.84 121.20 118.84 3k1b s ILE 318 Ca 0.23 -0.55 -0.05 0.00 -2.23 0.00 0.00 60.65 58.06 3k1b s ILE 318 Cb 0.20 -2.84 -0.00 0.00 -1.58 0.00 0.00 42.46 38.23 3k1b s ILE 318 CO 0.51 0.00 0.09 1.51 -1.23 0.00 0.00 174.94 175.81 3k1b s ASP 319 N -4.56 0.06 0.00 3.58 -4.77 -1.26 -4.76 116.67 104.96 3k1b s ASP 319 Ca 0.61 -0.21 0.00 0.00 -3.30 0.00 0.00 52.55 49.65 3k1b s ASP 319 Cb -0.09 0.18 0.00 0.00 -1.09 0.00 0.00 42.92 41.92 3k1b s ASP 319 CO 0.42 -0.29 0.00 -1.54 0.70 0.00 0.00 175.17 174.46 3k1b n SER 320 N 1.79 0.00 -0.07 2.11 3.41 -1.26 0.23 113.62 119.83 3k1b n SER 320 Ca -0.21 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.53 3k1b n SER 320 Cb 0.56 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.72 3k1b n SER 320 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3k1b n ASP 321 N -1.97 0.00 -4.67 4.04 9.92 -1.26 -4.74 116.55 117.87 3k1b n ASP 321 Ca 0.00 0.42 -0.43 0.00 -0.53 0.00 0.00 54.79 54.25 3k1b n ASP 321 Cb 0.00 -0.13 -0.02 0.00 -0.64 0.00 0.00 41.12 40.33 3k1b n ASP 321 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3k1b s ASN 322 N -3.16 7.02 0.43 -2.24 3.84 0.63 -4.91 114.94 116.54 3k1b s ASN 322 Ca -0.01 1.70 0.29 0.00 0.21 0.00 0.00 52.86 55.04 3k1b s ASN 322 Cb 0.07 -2.55 1.41 0.00 -0.55 0.00 0.00 41.25 39.63 3k1b s ASN 322 CO 0.23 -0.67 1.61 0.11 -2.79 0.00 0.00 177.10 175.59 3k1b h LYS 323 N 7.79 0.07 0.00 0.43 1.79 -1.87 0.05 116.57 124.83 3k1b h LYS 323 Ca -0.29 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 3k1b h LYS 323 Cb 1.12 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3k1b h LYS 323 CO 0.93 0.05 -1.43 1.28 -1.08 0.00 0.00 179.45 179.20 3k1b n LEU 324 N -4.79 0.13 0.00 2.94 4.77 -1.26 -4.96 117.00 113.83 3k1b n LEU 324 Ca 0.38 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3k1b n LEU 324 Cb 1.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.51 3k1b n LEU 324 CO 0.17 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 3k1b n GLY 325 N 1.63 1.96 3.55 -0.72 0.00 0.00 -2.29 105.19 109.33 3k1b n GLY 325 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 3.76 0.00 1.61 1.01 -1.26 -4.91 120.40 118.61 3k1b s VAL 326 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3k1b s VAL 326 Cb 0.00 -4.93 0.00 0.00 0.00 0.00 0.00 36.38 31.45 3k1b s VAL 326 CO 0.00 -1.85 0.00 0.61 0.00 0.00 0.00 175.10 173.86 3k1b n GLY 327 N 5.74 0.00 0.00 4.51 0.00 -1.26 -4.76 105.19 109.42 3k1b n GLY 327 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 1.96 -4.89 1.61 3.41 0.79 -4.11 113.62 112.40 3k1b n SER 328 Ca 0.00 -0.32 -0.29 0.00 -0.26 0.00 0.00 58.87 58.00 3k1b n SER 328 Cb 0.00 1.07 -0.02 0.00 -0.26 0.00 0.00 64.21 65.00 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 -1.79 6.42 0.56 4.04 1.01 -1.09 -4.67 116.67 121.15 3k1b s ASP 329 Ca 0.00 1.08 -0.17 0.00 0.71 0.00 0.00 52.55 54.17 3k1b s ASP 329 Cb 0.02 -2.31 -0.05 0.00 1.01 0.00 0.00 42.92 41.59 3k1b s ASP 329 CO 0.14 -0.49 1.04 -1.81 0.21 0.00 0.00 175.17 174.26 3k1b s ASP 330 N -3.54 6.06 -0.01 0.27 1.01 -1.26 -1.07 116.67 118.13 3k1b s ASP 330 Ca 0.50 1.79 0.01 0.00 0.71 0.00 0.00 52.55 55.56 3k1b s ASP 330 Cb -0.10 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.30 3k1b s ASP 330 CO 0.37 -0.98 -0.01 -0.89 0.21 0.00 0.00 175.17 173.87 3k1b s THR 331 N -2.38 0.14 -0.11 -1.27 2.01 -1.17 -4.37 115.64 108.50 3k1b s THR 331 Ca 0.63 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.62 3k1b s THR 331 Cb -0.15 -0.16 0.02 0.00 0.01 0.00 0.00 72.50 72.22 3k1b s THR 331 CO 0.32 0.07 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.50 3k1b s VAL 332 N 0.27 1.32 0.13 3.82 1.01 0.04 -1.79 120.40 125.20 3k1b s VAL 332 Ca -0.02 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.52 3k1b s VAL 332 Cb -0.05 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3k1b s VAL 332 CO -0.01 0.41 -0.17 0.00 0.00 0.00 0.00 175.10 175.33 3k1b s ALA 333 N 1.15 2.72 0.05 5.51 0.00 0.13 0.98 121.76 132.32 3k1b s ALA 333 Ca -0.04 -1.37 0.05 0.00 0.00 0.00 0.00 51.96 50.59 3k1b s ALA 333 Cb -0.14 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 3k1b s ALA 333 CO -0.03 0.57 -0.13 0.08 0.00 0.00 0.00 175.76 176.25 3k1b s VAL 334 N -1.24 1.02 0.16 0.00 1.01 -0.34 -1.66 120.40 119.35 3k1b s VAL 334 Ca 0.19 -1.13 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 3k1b s VAL 334 Cb -0.10 -0.97 0.05 0.00 0.00 0.00 0.00 36.38 35.36 3k1b s VAL 334 CO 0.11 -0.14 0.55 -0.83 0.00 0.00 0.00 175.10 174.79 3k1b s GLY 335 N -1.44 -0.44 0.24 4.51 0.00 -0.01 -2.04 107.32 108.14 3k1b s GLY 335 Ca -0.01 0.22 0.08 0.00 0.00 0.00 0.00 44.72 45.01 3k1b s GLY 335 CO 0.02 -0.02 -0.12 -1.50 0.00 0.00 0.00 173.10 171.48 3k1b s ILE 336 N -3.79 1.80 -0.41 0.90 2.07 0.32 -1.02 121.20 121.07 3k1b s ILE 336 Ca 0.03 -2.21 0.08 0.00 -1.41 0.00 0.00 60.65 57.14 3k1b s ILE 336 Cb -0.01 -2.22 0.18 0.00 0.13 0.00 0.00 42.46 40.55 3k1b s ILE 336 CO -0.10 -0.47 0.63 -0.69 -1.91 0.00 0.00 174.94 172.40 3k1b s VAL 337 N -2.93 -1.00 0.77 4.00 1.01 -1.03 -0.85 120.40 120.38 3k1b s VAL 337 Ca 0.26 -0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 3k1b s VAL 337 Cb 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 36.38 36.44 3k1b s VAL 337 CO 0.10 -0.00 1.14 -0.47 0.00 0.00 0.00 175.10 175.86 3k1b s TYR 338 N 1.86 3.00 -0.29 5.22 5.04 -1.22 -2.41 117.35 128.55 3k1b s TYR 338 Ca 0.16 0.73 -0.24 0.00 -2.44 0.00 0.00 57.07 55.28 3k1b s TYR 338 Cb -0.04 -3.38 0.15 0.00 0.35 0.00 0.00 41.96 39.04 3k1b s TYR 338 CO -0.07 -1.62 1.17 1.14 -1.34 0.00 0.00 175.55 174.83 3k1b s GLN 339 N -5.48 0.34 0.00 4.97 -2.07 0.23 -2.88 119.66 114.76 3k1b s GLN 339 Ca 0.61 0.41 0.15 0.00 -1.82 0.00 0.00 55.36 54.71 3k1b s GLN 339 Cb -0.11 0.16 0.12 0.00 -1.09 0.00 0.00 33.01 32.08 3k1b s GLN 339 CO 0.49 -0.04 0.96 1.97 -1.32 0.00 0.00 175.29 177.35