#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 4.09 0.00 0.00 2.12 -1.26 -2.92 118.70 120.73 3k1b s GLU 2 Ca 0.00 1.10 0.22 0.00 0.36 0.00 0.00 54.97 56.65 3k1b s GLU 2 Cb 0.00 -3.72 -0.27 0.00 0.26 0.00 0.00 34.13 30.39 3k1b s GLU 2 CO 0.00 -0.86 0.56 0.44 -0.54 0.00 0.00 175.26 174.85 3k1b n ILE 3 N 5.80 0.21 -3.94 -3.70 -5.35 -1.09 -4.88 119.36 106.41 3k1b n ILE 3 Ca 0.12 -0.53 -0.20 0.00 -0.27 0.00 0.00 62.75 61.87 3k1b n ILE 3 Cb 0.47 -0.10 -0.17 0.00 -1.74 0.00 0.00 39.64 38.10 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 -3.42 0.55 -0.18 4.28 6.04 -0.99 -5.00 117.35 118.64 3k1b s TYR 4 Ca -0.07 -0.11 -0.05 0.00 0.04 0.00 0.00 57.07 56.89 3k1b s TYR 4 Cb 0.13 -0.62 0.06 0.00 -1.04 0.00 0.00 41.96 40.49 3k1b s TYR 4 CO 0.88 -0.21 0.10 1.21 -1.54 0.00 0.00 175.55 175.99 3k1b s ASN 5 N 1.35 2.34 0.04 4.32 3.84 -1.26 0.18 114.94 125.75 3k1b s ASN 5 Ca -0.05 -0.62 -0.19 0.00 0.21 0.00 0.00 52.86 52.21 3k1b s ASN 5 Cb -0.13 -0.21 0.04 0.00 -0.55 0.00 0.00 41.25 40.39 3k1b s ASN 5 CO -0.02 -0.35 0.44 -0.54 -2.79 0.00 0.00 177.10 173.84 3k1b s LYS 6 N 2.15 0.95 0.00 0.43 -0.14 -1.23 -4.87 119.74 117.04 3k1b s LYS 6 Ca 0.03 -0.32 0.00 0.00 -1.36 0.00 0.00 55.97 54.31 3k1b s LYS 6 Cb -0.16 0.43 0.00 0.00 -1.68 0.00 0.00 37.83 36.42 3k1b s LYS 6 CO -0.10 -0.33 0.00 -0.25 -0.76 0.00 0.00 175.35 173.91 3k1b n ASP 7 N 0.48 -0.50 0.00 2.83 8.00 -1.26 0.15 116.55 126.26 3k1b n ASP 7 Ca -0.18 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.56 3k1b n ASP 7 Cb 0.60 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 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 -0.25 0.48 2.66 0.44 0.00 -1.26 -4.89 105.19 102.38 3k1b n GLY 8 Ca 0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.92 3.58 0.45 1.61 2.47 0.40 0.23 114.94 120.77 3k1b s ASN 9 Ca 0.00 -2.32 -0.16 0.00 0.42 0.00 0.00 52.86 50.79 3k1b s ASN 9 Cb 0.00 -0.86 -0.08 0.00 -1.45 0.00 0.00 41.25 38.85 3k1b s ASN 9 CO 0.00 -0.31 0.91 -1.59 -3.72 0.00 0.00 177.10 172.39 3k1b s LYS 10 N 0.77 3.99 -0.08 0.43 -2.85 -1.00 -3.47 119.74 117.53 3k1b s LYS 10 Ca 0.16 0.87 0.02 0.00 -1.00 0.00 0.00 55.97 56.02 3k1b s LYS 10 Cb -0.23 -2.23 0.02 0.00 -2.06 0.00 0.00 37.83 33.33 3k1b s LYS 10 CO -0.05 -0.13 -0.12 0.08 0.10 0.00 0.00 175.35 175.23 3k1b s VAL 11 N -2.41 1.20 -0.28 1.79 1.01 0.48 -2.62 120.40 119.57 3k1b s VAL 11 Ca 0.58 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 3k1b s VAL 11 Cb -0.10 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.20 3k1b s VAL 11 CO 0.26 0.38 -0.01 -0.62 0.00 0.00 0.00 175.10 175.10 3k1b s ASP 12 N 0.89 4.67 -0.13 3.32 2.15 0.65 -2.34 116.67 125.88 3k1b s ASP 12 Ca -0.10 -0.97 -0.14 0.00 0.43 0.00 0.00 52.55 51.78 3k1b s ASP 12 Cb -0.15 -1.73 -0.05 0.00 -0.30 0.00 0.00 42.92 40.70 3k1b s ASP 12 CO 0.01 -0.19 0.31 -0.22 -0.17 0.00 0.00 175.17 174.91 3k1b s LEU 13 N 1.34 4.29 0.00 -1.34 2.96 -1.15 -1.63 118.68 123.16 3k1b s LEU 13 Ca -0.01 0.59 -0.14 0.00 -0.22 0.00 0.00 54.13 54.35 3k1b s LEU 13 Cb -0.18 -2.40 0.02 0.00 0.50 0.00 0.00 46.19 44.13 3k1b s LEU 13 CO -0.02 0.15 0.29 -0.72 -1.32 0.00 0.00 176.35 174.73 3k1b s TYR 14 N 0.13 -0.14 -1.82 5.38 -0.85 -0.20 -3.49 117.35 116.38 3k1b s TYR 14 Ca 0.18 0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.87 3k1b s TYR 14 Cb -0.14 0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.29 3k1b s TYR 14 CO 0.06 -0.41 0.00 0.41 -1.52 0.00 0.00 175.55 174.08 3k1b n GLY 15 N 1.09 -0.56 0.00 5.49 0.00 -1.24 -2.52 105.19 107.44 3k1b n GLY 15 Ca -0.21 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3k1b n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3k1b n LYS 16 N 0.00 0.00 -3.50 1.61 2.85 -1.09 -2.18 118.16 115.85 3k1b n LYS 16 Ca 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.25 3k1b n LYS 16 Cb 0.00 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.34 3k1b n LYS 16 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3k1b s ALA 17 N -1.19 -1.98 -0.31 0.58 0.00 -1.24 -3.02 121.76 114.60 3k1b s ALA 17 Ca 0.00 2.06 -0.01 0.00 0.00 0.00 0.00 51.96 54.01 3k1b s ALA 17 Cb 0.00 -1.84 0.10 0.00 0.00 0.00 0.00 23.12 21.38 3k1b s ALA 17 CO 0.00 -1.04 0.10 0.08 0.00 0.00 0.00 175.76 174.90 3k1b s VAL 18 N 2.84 0.77 -0.48 0.00 1.01 0.21 -2.37 120.40 122.37 3k1b s VAL 18 Ca 0.03 -1.34 -0.26 0.00 0.00 0.00 0.00 61.98 60.40 3k1b s VAL 18 Cb -0.13 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.69 3k1b s VAL 18 CO -0.19 -0.69 0.99 -0.83 0.00 0.00 0.00 175.10 174.38 3k1b s GLY 19 N 1.65 1.41 0.06 4.51 0.00 0.13 -0.91 107.32 114.18 3k1b s GLY 19 Ca 0.10 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 44.06 3k1b s GLY 19 CO -0.26 2.14 -0.09 -2.27 0.00 0.00 0.00 173.10 172.62 3k1b s LEU 20 N 4.00 2.32 -0.28 0.66 2.96 -1.26 -0.15 118.68 126.93 3k1b s LEU 20 Ca 0.39 -0.67 -0.21 0.00 -0.22 0.00 0.00 54.13 53.42 3k1b s LEU 20 Cb -0.10 -0.23 0.09 0.00 0.50 0.00 0.00 46.19 46.45 3k1b s LEU 20 CO 0.27 -0.23 0.78 -2.28 -1.32 0.00 0.00 176.35 173.56 3k1b s HIS 21 N -1.85 -0.83 0.14 5.38 5.65 -1.16 -2.32 115.29 120.30 3k1b s HIS 21 Ca -0.03 1.83 0.03 0.00 0.25 0.00 0.00 55.06 57.13 3k1b s HIS 21 Cb -0.07 0.43 -0.04 0.00 -1.18 0.00 0.00 32.58 31.73 3k1b s HIS 21 CO -0.00 -0.41 0.23 0.71 -0.65 0.00 0.00 174.74 174.62 3k1b s TYR 22 N 0.94 3.40 -0.09 3.88 1.51 -0.26 -0.82 117.35 125.92 3k1b s TYR 22 Ca -0.04 0.10 -0.01 0.00 -1.01 0.00 0.00 57.07 56.11 3k1b s TYR 22 Cb -0.05 -1.64 0.03 0.00 -0.11 0.00 0.00 41.96 40.19 3k1b s TYR 22 CO -0.10 0.53 -0.01 -0.06 -1.11 0.00 0.00 175.55 174.80 3k1b s PHE 23 N -1.70 0.86 0.32 2.71 2.99 -0.52 -1.92 117.98 120.73 3k1b s PHE 23 Ca 0.33 -0.33 0.04 0.00 0.00 0.00 0.00 56.93 56.98 3k1b s PHE 23 Cb -0.11 -0.90 -0.03 0.00 0.00 0.00 0.00 43.02 41.97 3k1b s PHE 23 CO 0.27 -0.38 0.20 -1.12 -0.00 0.00 0.00 175.22 174.18 3k1b s SER 24 N 1.91 1.70 -0.01 1.36 0.01 -1.25 0.42 113.70 117.85 3k1b s SER 24 Ca 0.05 -1.64 -0.26 0.00 1.31 0.00 0.00 55.95 55.40 3k1b s SER 24 Cb -0.13 0.47 -0.04 0.00 0.21 0.00 0.00 66.02 66.54 3k1b s SER 24 CO -0.06 -0.96 0.81 -0.75 0.41 0.00 0.00 173.24 172.69 3k1b s LYS 25 N -3.69 4.50 0.00 12.44 2.20 -1.26 -4.24 119.74 129.70 3k1b s LYS 25 Ca 0.36 1.12 0.00 0.00 -0.36 0.00 0.00 55.97 57.08 3k1b s LYS 25 Cb 0.04 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 3k1b s LYS 25 CO 0.20 0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.70 3k1b n GLY 26 N 2.80 0.11 0.00 5.54 0.00 -1.26 -1.52 105.19 110.86 3k1b n GLY 26 Ca 0.01 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 0.75 0.10 0.00 1.61 5.15 -1.26 -5.08 115.26 116.54 3k1b n ASN 27 Ca 0.00 -0.14 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 3k1b n ASN 27 Cb 0.00 0.29 0.00 0.00 -0.53 0.00 0.00 39.78 39.54 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 0.32 1.52 0.08 8.20 0.00 -0.57 -4.58 105.19 110.17 3k1b n GLY 28 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.02 -0.30 1.61 2.13 -1.26 1.11 120.64 123.91 3k1b n GLU 29 Ca 0.00 0.37 -0.03 0.00 0.66 0.00 0.00 57.16 58.16 3k1b n GLU 29 Cb 0.00 -0.60 0.08 0.00 0.27 0.00 0.00 31.44 31.19 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 -3.96 2.79 -0.92 4.31 2.85 -1.26 -4.85 115.26 114.22 3k1b n ASN 30 Ca 0.07 -2.36 0.00 0.00 -0.11 0.00 0.00 54.58 52.18 3k1b n ASN 30 Cb 0.23 -0.57 0.00 0.00 1.24 0.00 0.00 39.78 40.67 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 0.10 0.37 -0.00 1.20 3.41 8.22 -2.64 113.62 124.28 3k1b n SER 31 Ca 0.12 -0.46 0.03 0.00 -0.26 0.00 0.00 58.87 58.30 3k1b n SER 31 Cb 0.68 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.59 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 -0.38 0.00 -0.06 7.33 -0.00 -1.22 -4.17 117.16 118.66 3k1b n TYR 32 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.84 3k1b n TYR 32 Cb 0.00 -0.10 -0.02 0.00 -0.00 0.00 0.00 39.34 39.22 3k1b n TYR 32 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3k1b n GLY 33 N 1.91 -0.51 0.00 2.98 0.00 -1.26 -5.09 105.19 103.22 3k1b n GLY 33 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 1.50 0.05 3.29 -0.02 0.00 -1.26 -5.06 105.19 103.70 3k1b n GLY 34 Ca -0.10 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.62 -0.27 0.00 1.61 3.04 -1.26 -3.79 114.94 110.65 3k1b s ASN 35 Ca 0.00 0.14 0.00 0.00 0.04 0.00 0.00 52.86 53.04 3k1b s ASN 35 Cb 0.00 0.37 0.00 0.00 -1.54 0.00 0.00 41.25 40.08 3k1b s ASN 35 CO 0.00 -0.52 0.00 0.61 -3.04 0.00 0.00 177.10 174.15 3k1b n GLY 36 N 1.04 -1.41 3.75 1.21 0.00 -0.81 -4.90 105.19 104.08 3k1b n GLY 36 Ca -0.20 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 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 6.82 0.00 1.61 2.15 -1.26 -1.10 116.67 120.89 3k1b s ASP 37 Ca 0.00 2.57 0.00 0.00 0.43 0.00 0.00 52.55 55.55 3k1b s ASP 37 Cb 0.00 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 3k1b s ASP 37 CO 0.00 -0.54 0.00 0.23 -0.17 0.00 0.00 175.17 174.69 3k1b n MET 38 N 1.67 3.22 0.00 4.34 2.81 -0.98 -4.82 117.12 123.37 3k1b n MET 38 Ca 0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 3k1b n MET 38 Cb 0.42 -0.69 0.00 0.00 -0.71 0.00 0.00 33.22 32.24 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 -0.68 0.00 -3.66 2.03 -1.04 -1.14 -4.62 114.28 105.17 3k1b n THR 39 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 3k1b n THR 39 Cb 0.04 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.53 3k1b n THR 39 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 3k1b s TYR 40 N 0.00 -0.30 0.43 -1.42 1.13 -0.08 -0.25 117.35 116.87 3k1b s TYR 40 Ca 0.00 -0.01 0.03 0.00 -1.41 0.00 0.00 57.07 55.68 3k1b s TYR 40 Cb 0.00 0.63 -0.02 0.00 -1.10 0.00 0.00 41.96 41.47 3k1b s TYR 40 CO 0.00 -0.93 0.11 0.00 -2.51 0.00 0.00 175.55 172.22 3k1b s ALA 41 N -3.61 3.18 -0.24 9.51 0.00 -0.88 -0.62 121.76 129.10 3k1b s ALA 41 Ca 0.08 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 3k1b s ALA 41 Cb -0.03 0.63 0.12 0.00 0.00 0.00 0.00 23.12 23.84 3k1b s ALA 41 CO -0.02 -0.28 0.46 1.03 0.00 0.00 0.00 175.76 176.95 3k1b s ARG 42 N -3.72 0.40 0.15 0.00 1.81 -1.17 -2.45 118.95 113.98 3k1b s ARG 42 Ca 0.20 0.93 0.09 0.00 -1.72 0.00 0.00 55.73 55.23 3k1b s ARG 42 Cb 0.02 0.19 -0.04 0.00 -0.45 0.00 0.00 34.95 34.67 3k1b s ARG 42 CO 0.13 -0.42 -0.19 -1.17 -0.68 0.00 0.00 175.30 172.96 3k1b s LEU 43 N 2.67 2.41 0.00 2.53 2.96 -1.17 -2.68 118.68 125.39 3k1b s LEU 43 Ca 0.05 -0.82 0.00 0.00 -0.22 0.00 0.00 54.13 53.14 3k1b s LEU 43 Cb -0.13 -0.87 0.00 0.00 0.50 0.00 0.00 46.19 45.68 3k1b s LEU 43 CO -0.16 0.00 0.00 0.61 -1.32 0.00 0.00 176.35 175.48 3k1b n GLY 44 N 0.47 1.98 2.94 7.98 0.00 -1.05 0.16 105.19 117.67 3k1b n GLY 44 Ca -0.15 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.34 0.04 1.61 -0.12 -0.42 -1.03 117.98 115.73 3k1b s PHE 45 Ca 0.00 0.82 -0.03 0.00 -0.05 0.00 0.00 56.93 57.66 3k1b s PHE 45 Cb 0.00 -0.12 -0.05 0.00 -0.63 0.00 0.00 43.02 42.22 3k1b s PHE 45 CO 0.00 -0.35 0.25 -1.59 -0.05 0.00 0.00 175.22 173.49 3k1b s LYS 46 N 2.38 3.52 0.04 1.99 -2.85 -0.65 -3.10 119.74 121.06 3k1b s LYS 46 Ca 0.02 -0.24 -0.04 0.00 -1.00 0.00 0.00 55.97 54.71 3k1b s LYS 46 Cb -0.12 -3.03 -0.02 0.00 -2.06 0.00 0.00 37.83 32.61 3k1b s LYS 46 CO -0.08 0.61 0.06 0.20 0.10 0.00 0.00 175.35 176.24 3k1b s GLY 47 N -2.13 0.22 -0.15 0.59 0.00 -1.09 -0.26 107.32 104.50 3k1b s GLY 47 Ca 0.32 -0.63 -0.08 0.00 0.00 0.00 0.00 44.72 44.33 3k1b s GLY 47 CO 0.22 -0.75 0.37 1.85 0.00 0.00 0.00 173.10 174.78 3k1b s GLU 48 N -2.57 0.34 -0.07 2.90 2.12 -1.08 -1.36 118.70 118.98 3k1b s GLU 48 Ca -0.05 0.73 0.02 0.00 0.36 0.00 0.00 54.97 56.04 3k1b s GLU 48 Cb -0.01 -0.04 -0.02 0.00 0.26 0.00 0.00 34.13 34.32 3k1b s GLU 48 CO -0.05 -0.17 -0.13 -0.08 -0.54 0.00 0.00 175.26 174.29 3k1b s THR 49 N 1.43 3.10 -1.02 -1.70 -1.32 1.55 -2.37 115.64 115.30 3k1b s THR 49 Ca -0.09 -0.69 -0.18 0.00 -1.21 0.00 0.00 61.69 59.52 3k1b s THR 49 Cb -0.09 -2.24 0.13 0.00 -1.51 0.00 0.00 72.50 68.79 3k1b s THR 49 CO -0.12 0.57 1.26 -1.10 -2.21 0.00 0.00 174.62 173.02 3k1b s GLN 50 N -0.44 3.74 0.35 7.08 -0.21 0.14 0.79 119.66 131.10 3k1b s GLN 50 Ca 0.05 -1.91 0.26 0.00 0.02 0.00 0.00 55.36 53.79 3k1b s GLN 50 Cb -0.12 -5.02 1.17 0.00 1.00 0.00 0.00 33.01 30.04 3k1b s GLN 50 CO 0.02 -1.83 1.21 -0.89 -2.12 0.00 0.00 175.29 171.68 3k1b n ILE 51 N 5.45 -0.18 -0.74 1.08 5.41 -0.99 -4.93 119.36 124.46 3k1b n ILE 51 Ca 0.29 1.38 0.00 0.00 1.00 0.00 0.00 62.75 65.42 3k1b n ILE 51 Cb 0.48 -2.26 0.00 0.00 -0.71 0.00 0.00 39.64 37.15 3k1b n ILE 51 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3k1b n ASN 52 N -4.17 0.00 -0.38 4.38 0.23 -0.78 -4.94 115.26 109.60 3k1b n ASN 52 Ca 0.32 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 54.31 3k1b n ASN 52 Cb 1.25 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.93 3k1b n ASN 52 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3k1b h SER 53 N 0.00 -1.73 -0.14 0.53 0.02 -2.02 -0.88 113.55 109.34 3k1b h SER 53 Ca 0.00 0.31 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3k1b h SER 53 Cb 0.00 0.83 0.00 0.00 0.14 0.00 0.00 62.40 63.37 3k1b h SER 53 CO 0.00 -0.27 0.00 0.47 -1.14 0.00 0.00 176.83 175.89 3k1b n ASP 54 N -5.38 2.28 -4.08 3.07 8.00 -1.26 -4.85 116.55 114.33 3k1b n ASP 54 Ca 0.06 -1.89 -0.34 0.00 0.71 0.00 0.00 54.79 53.33 3k1b n ASP 54 Cb 0.34 -0.09 -0.13 0.00 -0.02 0.00 0.00 41.12 41.22 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 -0.92 5.08 -0.15 0.64 2.96 -0.34 -1.37 118.68 124.59 3k1b s LEU 55 Ca 0.10 -2.09 -0.15 0.00 -0.22 0.00 0.00 54.13 51.76 3k1b s LEU 55 Cb 0.05 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 3k1b s LEU 55 CO 0.07 -0.48 0.36 -0.89 -1.32 0.00 0.00 176.35 174.08 3k1b s THR 56 N 1.03 5.26 -0.10 3.68 2.01 -0.79 -1.86 115.64 124.87 3k1b s THR 56 Ca 0.09 0.69 -0.04 0.00 0.31 0.00 0.00 61.69 62.74 3k1b s THR 56 Cb -0.21 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 3k1b s THR 56 CO -0.06 0.36 0.05 -0.83 -0.69 0.00 0.00 174.62 173.45 3k1b s GLY 57 N 0.55 1.95 0.07 4.40 0.00 0.24 -0.71 107.32 113.81 3k1b s GLY 57 Ca 0.20 -0.75 -0.06 0.00 0.00 0.00 0.00 44.72 44.10 3k1b s GLY 57 CO 0.06 -0.48 0.12 -2.52 0.00 0.00 0.00 173.10 170.28 3k1b s TYR 58 N -0.85 0.25 0.32 1.90 -0.00 -0.96 0.44 117.35 118.45 3k1b s TYR 58 Ca 0.13 -0.67 0.04 0.00 -0.00 0.00 0.00 57.07 56.57 3k1b s TYR 58 Cb -0.12 -0.16 -0.02 0.00 -0.00 0.00 0.00 41.96 41.67 3k1b s TYR 58 CO 0.03 -0.46 0.15 0.41 -0.00 0.00 0.00 175.55 175.67 3k1b n GLY 59 N 0.20 3.33 0.00 5.49 0.00 -0.46 -2.15 105.19 111.60 3k1b n GLY 59 Ca -0.16 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.69 0.00 -3.92 1.61 7.27 -0.78 -2.66 117.38 118.21 3k1b n GLN 60 Ca -0.02 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.95 3k1b n GLN 60 Cb 0.50 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 33.05 3k1b n GLN 60 CO 0.00 0.00 0.00 -0.46 0.07 0.00 0.00 177.06 176.67 3k1b s TRP 61 N -1.16 0.18 -0.30 3.69 -0.00 -1.18 -0.34 118.94 119.84 3k1b s TRP 61 Ca 0.00 -0.45 -0.12 0.00 -0.00 0.00 0.00 56.10 55.53 3k1b s TRP 61 Cb 0.00 -0.13 0.14 0.00 -0.00 0.00 0.00 33.47 33.48 3k1b s TRP 61 CO 0.00 -0.34 0.76 -2.00 -0.00 0.00 0.00 176.95 175.37 3k1b s GLU 62 N -2.37 0.50 0.53 5.86 2.12 -0.59 -1.30 118.70 123.45 3k1b s GLU 62 Ca -0.07 1.20 0.01 0.00 0.36 0.00 0.00 54.97 56.48 3k1b s GLU 62 Cb -0.03 0.67 0.00 0.00 0.26 0.00 0.00 34.13 35.04 3k1b s GLU 62 CO -0.03 -0.16 0.08 -0.47 -0.54 0.00 0.00 175.26 174.13 3k1b s TYR 63 N 2.63 1.74 -0.25 5.30 5.04 0.12 -0.36 117.35 131.58 3k1b s TYR 63 Ca -0.05 -0.97 -0.04 0.00 -2.44 0.00 0.00 57.07 53.56 3k1b s TYR 63 Cb -0.09 -1.65 0.13 0.00 0.35 0.00 0.00 41.96 40.70 3k1b s TYR 63 CO -0.18 0.07 0.47 1.21 -1.34 0.00 0.00 175.55 175.77 3k1b s ASN 64 N -3.97 -0.40 -0.43 4.32 3.04 -1.12 -3.05 114.94 113.32 3k1b s ASN 64 Ca 0.08 0.74 -0.16 0.00 0.04 0.00 0.00 52.86 53.56 3k1b s ASN 64 Cb 0.00 1.54 0.03 0.00 -1.54 0.00 0.00 41.25 41.28 3k1b s ASN 64 CO 0.05 -0.26 0.41 -0.36 -3.04 0.00 0.00 177.10 173.89 3k1b s PHE 65 N 2.67 3.19 0.76 0.43 0.08 -1.02 -2.95 117.98 121.14 3k1b s PHE 65 Ca 0.08 -0.55 -0.15 0.00 0.12 0.00 0.00 56.93 56.43 3k1b s PHE 65 Cb -0.14 -2.91 0.05 0.00 -0.57 0.00 0.00 43.02 39.45 3k1b s PHE 65 CO -0.16 -0.72 1.18 1.04 -0.10 0.00 0.00 175.22 176.47 3k1b n GLN 66 N 5.45 0.47 -0.01 0.44 1.13 -1.26 -2.08 117.38 121.53 3k1b n GLN 66 Ca -0.09 0.23 0.02 0.00 -1.94 0.00 0.00 57.00 55.21 3k1b n GLN 66 Cb 0.46 -2.43 0.02 0.00 0.11 0.00 0.00 30.24 28.41 3k1b n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k1b n GLY 67 N 0.74 -0.56 0.51 1.08 0.00 0.66 -4.62 105.19 103.00 3k1b n GLY 67 Ca 0.14 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 0.13 1.70 -4.96 1.61 0.23 -1.21 -4.88 115.26 107.88 3k1b n ASN 68 Ca 0.02 -1.44 -0.22 0.00 -0.53 0.00 0.00 54.58 52.41 3k1b n ASN 68 Cb 0.11 0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 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 -2.17 5.92 0.88 0.53 0.01 -1.26 -5.02 114.94 113.84 3k1b s ASN 69 Ca 0.31 0.14 -0.11 0.00 -0.71 0.00 0.00 52.86 52.49 3k1b s ASN 69 Cb 0.20 -1.48 0.18 0.00 0.41 0.00 0.00 41.25 40.56 3k1b s ASN 69 CO 0.40 -0.57 1.21 -0.94 -1.51 0.00 0.00 177.10 175.69 3k1b s SER 70 N -4.18 3.50 -0.18 -1.22 1.04 -1.26 -4.90 113.70 106.50 3k1b s SER 70 Ca 0.46 0.03 0.14 0.00 0.48 0.00 0.00 55.95 57.06 3k1b s SER 70 Cb -0.10 -0.17 0.73 0.00 0.10 0.00 0.00 66.02 66.58 3k1b s SER 70 CO 0.35 -2.46 1.62 -0.62 0.98 0.00 0.00 173.24 173.12 3k1b n GLU 71 N -3.46 4.24 0.00 4.02 1.02 -1.26 -3.17 120.64 122.03 3k1b n GLU 71 Ca 0.15 -2.81 0.00 0.00 -0.02 0.00 0.00 57.16 54.48 3k1b n GLU 71 Cb 0.60 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 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 0.75 5.33 0.00 0.62 0.00 -1.26 -4.85 105.19 105.78 3k1b n GLY 72 Ca 0.25 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 0.31 4.61 0.00 -1.26 -1.86 120.51 119.31 3k1b n ALA 73 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3k1b n ALA 73 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.90 0.70 -2.17 0.00 5.75 -1.26 -4.75 116.55 113.91 3k1b n ASP 74 Ca 0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 54.79 53.93 3k1b n ASP 74 Cb 0.00 0.70 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 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 -0.68 0.76 0.00 2.12 0.00 -0.78 -1.58 120.51 120.36 3k1b n ALA 75 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3k1b n ALA 75 Cb 0.13 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 1.45 2.14 -0.79 0.00 1.13 -1.26 -4.96 117.38 115.09 3k1b n GLN 76 Ca 0.00 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.78 3k1b n GLN 76 Cb 0.00 -0.75 -0.08 0.00 0.11 0.00 0.00 30.24 29.53 3k1b n GLN 76 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3k1b n THR 77 N -1.16 0.00 0.00 5.09 -1.04 -0.61 -2.64 114.28 113.92 3k1b n THR 77 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3k1b n THR 77 Cb 0.21 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 3k1b n THR 77 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3k1b n GLY 78 N 3.95 1.47 3.71 3.41 0.00 -1.26 -4.61 105.19 111.85 3k1b n GLY 78 Ca 0.35 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3k1b n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k1b n ASN 79 N 0.01 2.75 -2.46 1.61 3.02 -1.08 -4.71 115.26 114.40 3k1b n ASN 79 Ca 0.00 1.17 -0.10 0.00 -0.03 0.00 0.00 54.58 55.62 3k1b n ASN 79 Cb 0.00 -1.50 -0.01 0.00 -0.61 0.00 0.00 39.78 37.66 3k1b n ASN 79 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3k1b n LYS 80 N 0.34 0.63 -3.50 3.52 2.85 -1.15 -4.99 118.16 115.85 3k1b n LYS 80 Ca 0.05 -1.99 -0.33 0.00 -1.05 0.00 0.00 58.31 55.00 3k1b n LYS 80 Cb 0.38 2.06 -0.05 0.00 -0.65 0.00 0.00 35.03 36.76 3k1b n LYS 80 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3k1b s THR 81 N -2.60 5.01 -0.20 0.58 2.01 -1.26 -2.81 115.64 116.37 3k1b s THR 81 Ca 0.19 0.43 0.03 0.00 0.31 0.00 0.00 61.69 62.64 3k1b s THR 81 Cb -0.02 -3.64 -0.14 0.00 0.01 0.00 0.00 72.50 68.71 3k1b s THR 81 CO 0.14 0.10 -0.16 0.54 -0.69 0.00 0.00 174.62 174.54 3k1b n ARG 82 N 0.34 0.58 -3.80 4.92 1.74 0.52 -4.94 116.66 116.01 3k1b n ARG 82 Ca -0.03 0.11 -0.13 0.00 -0.77 0.00 0.00 57.85 57.03 3k1b n ARG 82 Cb 0.52 -1.41 -0.13 0.00 -1.02 0.00 0.00 32.46 30.42 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 -6.12 1.23 -0.27 0.55 1.43 -0.85 -4.78 118.68 109.87 3k1b s LEU 83 Ca -0.26 0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 53.09 3k1b s LEU 83 Cb 0.07 0.57 0.12 0.00 0.03 0.00 0.00 46.19 46.97 3k1b s LEU 83 CO 0.49 -0.07 0.58 0.00 0.23 0.00 0.00 176.35 177.58 3k1b s ALA 84 N 0.28 -1.78 0.36 4.21 0.00 -0.80 -1.54 121.76 122.49 3k1b s ALA 84 Ca -0.02 2.11 -0.05 0.00 0.00 0.00 0.00 51.96 54.00 3k1b s ALA 84 Cb -0.03 -1.62 0.02 0.00 0.00 0.00 0.00 23.12 21.49 3k1b s ALA 84 CO -0.01 -0.85 0.56 1.97 0.00 0.00 0.00 175.76 177.43 3k1b n PHE 85 N 5.36 -1.66 -3.72 0.00 1.16 0.54 0.77 117.46 119.91 3k1b n PHE 85 Ca -0.12 -2.23 -0.09 0.00 -1.87 0.00 0.00 57.45 53.14 3k1b n PHE 85 Cb 0.50 0.64 -0.02 0.00 -1.61 0.00 0.00 39.48 38.98 3k1b n PHE 85 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3k1b s ALA 86 N -2.61 -1.25 0.00 1.98 0.00 -1.12 -1.86 121.76 116.90 3k1b s ALA 86 Ca 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3k1b s ALA 86 Cb -0.02 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.97 3k1b s ALA 86 CO 0.19 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.43 3k1b n GLY 87 N -0.42 0.03 3.24 0.00 0.00 -0.91 -0.75 105.19 106.38 3k1b n GLY 87 Ca -0.08 -1.29 -0.12 0.00 0.00 0.00 0.00 46.02 44.53 3k1b n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1b s LEU 88 N 0.00 0.94 -0.11 0.99 1.43 -0.92 -2.27 118.68 118.75 3k1b s LEU 88 Ca 0.00 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 3k1b s LEU 88 Cb 0.00 1.26 0.02 0.00 0.03 0.00 0.00 46.19 47.50 3k1b s LEU 88 CO 0.00 -0.55 -0.14 -0.54 0.23 0.00 0.00 176.35 175.36 3k1b s LYS 89 N -2.11 2.06 -0.76 1.70 1.02 0.11 -2.06 119.74 119.70 3k1b s LYS 89 Ca -0.08 -0.50 -0.03 0.00 0.02 0.00 0.00 55.97 55.38 3k1b s LYS 89 Cb -0.03 -1.80 0.19 0.00 -0.52 0.00 0.00 37.83 35.68 3k1b s LYS 89 CO -0.01 -0.10 0.62 -0.47 -0.92 0.00 0.00 175.35 174.47 3k1b s TYR 90 N 1.09 3.65 0.00 3.18 6.14 -0.72 -1.89 117.35 128.80 3k1b s TYR 90 Ca -0.05 -2.83 0.00 0.00 0.64 0.00 0.00 57.07 54.83 3k1b s TYR 90 Cb -0.14 -3.24 0.00 0.00 0.42 0.00 0.00 41.96 38.99 3k1b s TYR 90 CO -0.03 -0.80 0.00 0.00 0.64 0.00 0.00 175.55 175.37 3k1b n ALA 91 N 2.95 0.00 -1.21 3.97 0.00 -0.47 0.71 120.51 126.47 3k1b n ALA 91 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.65 3k1b n ALA 91 Cb 0.38 0.00 0.09 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 0.34 1.71 -0.05 0.00 9.92 -1.26 -4.53 116.55 122.68 3k1b n ASP 92 Ca 0.00 -2.70 -0.07 0.00 -0.53 0.00 0.00 54.79 51.49 3k1b n ASP 92 Cb 0.00 -0.33 -0.14 0.00 -0.64 0.00 0.00 41.12 40.00 3k1b n ASP 92 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3k1b n VAL 93 N -1.00 1.36 0.00 2.53 0.31 0.22 -4.23 118.33 117.53 3k1b n VAL 93 Ca 0.11 -0.80 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 3k1b n VAL 93 Cb 0.62 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 3k1b n VAL 93 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k1b n GLY 94 N 1.61 0.68 0.00 2.92 0.00 -1.25 -4.72 105.19 104.43 3k1b n GLY 94 Ca -0.23 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.64 3k1b n GLY 94 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k1b n SER 95 N 0.04 0.67 0.00 1.61 3.41 0.19 -1.75 113.62 117.79 3k1b n SER 95 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3k1b n SER 95 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3k1b n SER 95 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3k1b n PHE 96 N 0.00 0.00 0.00 7.33 -0.00 -0.87 -4.33 117.46 119.59 3k1b n PHE 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3k1b n PHE 96 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 3k1b n PHE 96 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 3k1b n ASP 97 N 0.00 0.00 -3.59 -2.13 5.68 -1.25 -2.17 116.55 113.10 3k1b n ASP 97 Ca 0.00 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.14 3k1b n ASP 97 Cb 0.00 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 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 -0.69 -5.00 2.11 6.04 0.08 -2.33 117.35 115.55 3k1b s TYR 98 Ca 0.00 1.51 0.00 0.00 0.04 0.00 0.00 57.07 58.62 3k1b s TYR 98 Cb 0.00 0.34 0.00 0.00 -1.04 0.00 0.00 41.96 41.26 3k1b s TYR 98 CO 0.00 -0.45 0.00 0.41 -1.54 0.00 0.00 175.55 173.97 3k1b n GLY 99 N 1.92 0.51 3.38 8.97 0.00 -1.08 -2.80 105.19 116.09 3k1b n GLY 99 Ca -0.15 -1.46 -0.45 0.00 0.00 0.00 0.00 46.02 43.96 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 3.05 0.00 1.61 3.52 0.23 -0.53 118.95 124.84 3k1b s ARG 100 Ca 0.00 -1.27 0.00 0.00 -0.13 0.00 0.00 55.73 54.33 3k1b s ARG 100 Cb 0.00 -4.23 0.00 0.00 -1.56 0.00 0.00 34.95 29.16 3k1b s ARG 100 CO 0.00 -1.44 0.00 -1.71 -0.81 0.00 0.00 175.30 171.34 3k1b n ASN 101 N 6.16 1.41 -4.83 -2.12 5.15 -1.19 -1.90 115.26 117.94 3k1b n ASN 101 Ca -0.09 -0.25 -0.37 0.00 -0.60 0.00 0.00 54.58 53.26 3k1b n ASN 101 Cb 0.43 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.62 3k1b n ASN 101 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3k1b s TYR 102 N -0.02 3.72 0.84 1.20 2.02 -1.26 -1.73 117.35 122.12 3k1b s TYR 102 Ca 0.00 1.08 -0.11 0.00 -0.37 0.00 0.00 57.07 57.67 3k1b s TYR 102 Cb 0.00 -2.36 0.10 0.00 -0.40 0.00 0.00 41.96 39.30 3k1b s TYR 102 CO 0.00 0.58 1.09 0.20 -1.57 0.00 0.00 175.55 175.85 3k1b s GLY 103 N -1.25 1.63 0.35 0.71 0.00 -1.06 -4.90 107.32 102.80 3k1b s GLY 103 Ca 0.29 0.01 0.08 0.00 0.00 0.00 0.00 44.72 45.10 3k1b s GLY 103 CO 0.17 0.45 1.82 -0.39 0.00 0.00 0.00 173.10 175.14 3k1b h VAL 104 N -1.35 1.24 0.00 1.40 -1.51 -1.88 -3.15 116.25 110.99 3k1b h VAL 104 Ca -0.47 -1.11 0.00 0.00 -1.23 0.00 0.00 66.70 63.89 3k1b h VAL 104 Cb 1.27 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 3k1b h VAL 104 CO 0.54 0.34 0.00 0.55 -1.23 0.00 0.00 177.57 177.77 3k1b n VAL 105 N -4.16 0.17 0.32 7.19 3.14 -0.75 -0.52 118.33 123.73 3k1b n VAL 105 Ca -0.01 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.46 3k1b n VAL 105 Cb 0.36 -0.51 -0.13 0.00 -1.06 0.00 0.00 33.84 32.50 3k1b n VAL 105 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3k1b n TYR 106 N 0.20 0.00 -0.17 1.45 9.36 -1.19 -1.55 117.16 125.26 3k1b n TYR 106 Ca 0.00 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.35 3k1b n TYR 106 Cb 0.25 -0.27 0.47 0.00 -0.63 0.00 0.00 39.34 39.16 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 0.00 0.45 0.00 2.98 5.19 -1.04 1.20 116.42 125.21 3k1b h ASP 107 Ca 0.00 0.02 -0.44 0.00 -0.62 0.00 0.00 57.03 55.99 3k1b h ASP 107 Cb 0.70 -0.07 -0.07 0.00 0.18 0.00 0.00 39.33 40.07 3k1b h ASP 107 CO 0.00 0.25 -2.49 0.00 -3.12 0.00 0.00 179.24 173.88 3k1b n ALA 108 N -2.50 1.31 -0.29 3.45 0.00 -1.25 -4.36 120.51 116.87 3k1b n ALA 108 Ca 0.14 -1.07 0.12 0.00 0.00 0.00 0.00 53.44 52.63 3k1b n ALA 108 Cb 0.47 0.11 0.27 0.00 0.00 0.00 0.00 19.45 20.29 3k1b n ALA 108 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3k1b h LEU 109 N -0.77 -0.09 -0.30 0.00 6.46 -0.71 -3.23 115.31 116.66 3k1b h LEU 109 Ca -0.66 0.20 0.03 0.00 -0.12 0.00 0.00 57.88 57.33 3k1b h LEU 109 Cb 1.65 0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 41.83 3k1b h LEU 109 CO -0.35 -0.17 -0.26 1.23 -0.62 0.00 0.00 178.44 178.26 3k1b h GLY 110 N 0.18 -1.66 0.00 3.75 0.00 0.13 -3.12 103.07 102.34 3k1b h GLY 110 Ca 0.53 0.87 0.00 0.00 0.00 0.00 0.00 47.33 48.73 3k1b h GLY 110 CO -0.67 -0.49 0.00 -1.72 0.00 0.00 0.00 176.54 173.65 3k1b n TYR 111 N -3.98 0.00 -0.20 5.60 4.02 -1.22 0.17 117.16 121.56 3k1b n TYR 111 Ca -0.01 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.93 3k1b n TYR 111 Cb 0.14 -0.01 0.12 0.00 -0.02 0.00 0.00 39.34 39.58 3k1b n TYR 111 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3k1b n THR 112 N -1.04 1.09 -3.68 -0.72 -2.24 -1.18 -4.82 114.28 101.69 3k1b n THR 112 Ca 0.00 -1.07 -0.38 0.00 -2.27 0.00 0.00 64.05 60.33 3k1b n THR 112 Cb 0.00 0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.09 5.44 0.00 3.42 -1.08 0.46 -3.72 116.67 120.10 3k1b s ASP 113 Ca 0.19 -2.38 0.00 0.00 -0.52 0.00 0.00 52.55 49.84 3k1b s ASP 113 Cb 0.11 -1.90 0.00 0.00 -1.46 0.00 0.00 42.92 39.67 3k1b s ASP 113 CO 0.11 -0.51 0.00 0.23 0.52 0.00 0.00 175.17 175.53 3k1b n MET 114 N 4.17 0.00 -1.31 4.34 2.81 -1.26 -4.98 117.12 120.89 3k1b n MET 114 Ca 0.02 0.00 -0.45 0.00 -1.81 0.00 0.00 57.70 55.46 3k1b n MET 114 Cb 0.40 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.89 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 0.00 -1.52 0.00 4.03 4.77 -1.26 -4.83 117.00 118.19 3k1b n LEU 115 Ca 0.00 1.01 0.05 0.00 -0.03 0.00 0.00 56.01 57.05 3k1b n LEU 115 Cb 0.00 -0.89 0.33 0.00 -2.33 0.00 0.00 43.42 40.52 3k1b n LEU 115 CO 0.00 -3.09 0.54 -2.65 -1.33 0.00 0.00 177.39 170.86 3k1b n PRO 116 N 1.02 0.40 0.00 3.23 -0.02 -1.26 -4.32 135.00 134.04 3k1b n PRO 116 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3k1b n PRO 116 Cb 0.27 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 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 -0.93 0.00 0.00 -0.52 4.07 -1.26 -4.97 120.64 117.03 3k1b n GLU 117 Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 3k1b n GLU 117 Cb 0.04 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.42 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 -0.45 0.00 -1.07 4.31 3.72 -1.26 -5.07 117.46 117.63 3k1b n PHE 118 Ca 0.00 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.54 3k1b n PHE 118 Cb 0.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 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 5.00 -1.40 3.56 1.37 0.00 -1.26 -4.74 105.19 107.72 3k1b n GLY 119 Ca 0.00 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.28 -0.38 0.17 -0.02 0.00 -1.24 -4.91 105.19 95.53 3k1b n GLY 120 Ca 0.01 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.03 0.00 -0.19 1.61 5.19 -1.91 -3.20 116.42 115.88 3k1b h ASP 121 Ca -0.59 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.80 3k1b h ASP 121 Cb 1.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.86 3k1b h ASP 121 CO 0.54 0.01 0.00 0.35 -3.12 0.00 0.00 179.24 177.01 3k1b n THR 122 N -2.84 0.42 -3.46 0.35 -2.24 -1.26 -4.41 114.28 100.85 3k1b n THR 122 Ca 0.03 -0.31 -0.29 0.00 -2.27 0.00 0.00 64.05 61.21 3k1b n THR 122 Cb 0.52 -0.04 -0.08 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.12 4.07 -0.51 6.98 0.00 -1.21 -4.90 120.51 125.06 3k1b n ALA 123 Ca 0.07 -4.74 -0.29 0.00 0.00 0.00 0.00 53.44 48.48 3k1b n ALA 123 Cb 0.28 -1.11 0.24 0.00 0.00 0.00 0.00 19.45 18.86 3k1b n ALA 123 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k1b n TYR 124 N 1.14 -1.22 -4.44 0.00 4.01 -1.26 -4.39 117.16 111.00 3k1b n TYR 124 Ca 0.28 -0.09 -0.34 0.00 -0.16 0.00 0.00 57.90 57.59 3k1b n TYR 124 Cb 0.39 -1.69 -0.13 0.00 -0.31 0.00 0.00 39.34 37.60 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 -2.32 4.54 0.00 7.72 0.01 -1.26 -2.16 113.70 120.24 3k1b s SER 125 Ca 0.67 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.72 3k1b s SER 125 Cb -0.23 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.26 3k1b s SER 125 CO 0.65 0.15 0.00 0.47 0.41 0.00 0.00 173.24 174.92 3k1b n ASP 126 N 3.68 -1.03 -2.68 2.44 8.00 0.26 -4.91 116.55 122.31 3k1b n ASP 126 Ca -0.18 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 54.99 3k1b n ASP 126 Cb 0.52 -0.37 0.02 0.00 -0.02 0.00 0.00 41.12 41.27 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 1.35 6.28 0.00 -2.24 2.03 -1.26 -4.69 116.55 118.03 3k1b n ASP 127 Ca 0.00 -3.78 0.00 0.00 0.52 0.00 0.00 54.79 51.53 3k1b n ASP 127 Cb 0.37 -0.79 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 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 -0.54 0.00 0.09 -0.67 3.72 -1.26 -2.99 117.46 115.81 3k1b n PHE 128 Ca 0.48 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.94 3k1b n PHE 128 Cb 0.46 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.12 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 0.32 -0.00 1.38 3.72 -1.26 -4.68 117.46 116.93 3k1b n PHE 129 Ca 0.00 -0.30 0.03 0.00 -0.05 0.00 0.00 57.45 57.13 3k1b n PHE 129 Cb 0.00 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.47 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 0.67 0.02 -4.31 -4.37 0.24 -1.16 -1.80 118.33 107.61 3k1b n VAL 130 Ca 0.11 -0.17 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 3k1b n VAL 130 Cb 0.39 0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 33.03 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 2.10 3.88 3.73 7.63 0.00 -0.92 -4.54 105.19 117.07 3k1b n GLY 131 Ca -0.02 -2.22 -0.31 0.00 0.00 0.00 0.00 46.02 43.47 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 -2.78 1.79 0.17 1.61 0.52 -1.26 -2.55 118.95 116.46 3k1b s ARG 132 Ca 0.02 1.38 -0.23 0.00 -0.52 0.00 0.00 55.73 56.38 3k1b s ARG 132 Cb 0.00 -1.83 0.06 0.00 0.52 0.00 0.00 34.95 33.70 3k1b s ARG 132 CO 0.01 -2.02 0.66 0.08 0.02 0.00 0.00 175.30 174.05 3k1b s VAL 133 N -2.70 0.00 0.33 3.52 1.01 -0.71 -0.57 120.40 121.28 3k1b s VAL 133 Ca 0.65 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.45 3k1b s VAL 133 Cb -0.20 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 3k1b s VAL 133 CO 0.55 0.00 0.46 -0.83 0.00 0.00 0.00 175.10 175.28 3k1b s GLY 134 N -2.77 1.57 -0.99 4.51 0.00 -1.26 -3.20 107.32 105.18 3k1b s GLY 134 Ca 0.04 -1.45 -0.13 0.00 0.00 0.00 0.00 44.72 43.18 3k1b s GLY 134 CO -0.08 -1.37 0.70 0.61 0.00 0.00 0.00 173.10 172.96 3k1b n GLY 135 N -1.61 -1.11 3.31 0.20 0.00 0.31 -4.41 105.19 101.88 3k1b n GLY 135 Ca -0.01 0.49 -0.31 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.24 2.07 -0.19 1.61 -7.23 -0.71 -0.96 120.40 111.74 3k1b s VAL 136 Ca 0.25 -1.10 -0.04 0.00 -1.81 0.00 0.00 61.98 59.28 3k1b s VAL 136 Cb -0.11 -1.71 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 3k1b s VAL 136 CO 0.88 0.58 -0.04 0.00 -0.31 0.00 0.00 175.10 176.21 3k1b s ALA 137 N -0.54 2.90 -0.40 1.32 0.00 -0.99 -2.64 121.76 121.40 3k1b s ALA 137 Ca 0.08 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.05 3k1b s ALA 137 Cb -0.11 -1.65 0.11 0.00 0.00 0.00 0.00 23.12 21.48 3k1b s ALA 137 CO -0.00 -0.15 0.14 0.99 0.00 0.00 0.00 175.76 176.73 3k1b s THR 138 N 1.00 2.05 -0.18 0.00 2.01 -0.98 -1.70 115.64 117.83 3k1b s THR 138 Ca 0.01 -2.50 -0.17 0.00 0.31 0.00 0.00 61.69 59.34 3k1b s THR 138 Cb -0.15 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 3k1b s THR 138 CO 0.01 -0.70 0.44 -0.47 -0.69 0.00 0.00 174.62 173.21 3k1b s TYR 139 N 0.62 3.41 0.54 4.92 6.04 -0.35 -3.74 117.35 128.78 3k1b s TYR 139 Ca 0.13 0.71 0.02 0.00 0.04 0.00 0.00 57.07 57.97 3k1b s TYR 139 Cb -0.21 -2.56 0.01 0.00 -1.04 0.00 0.00 41.96 38.16 3k1b s TYR 139 CO -0.07 0.02 0.13 1.03 -1.54 0.00 0.00 175.55 175.11 3k1b s ARG 140 N 1.21 2.23 -0.19 4.97 0.52 -1.26 -0.83 118.95 125.60 3k1b s ARG 140 Ca 0.22 -2.33 -0.28 0.00 -0.52 0.00 0.00 55.73 52.82 3k1b s ARG 140 Cb -0.15 -1.69 0.09 0.00 0.52 0.00 0.00 34.95 33.72 3k1b s ARG 140 CO 0.09 -0.49 0.83 1.21 0.02 0.00 0.00 175.30 176.95 3k1b s ASN 141 N -4.03 -0.58 0.06 0.23 3.84 -1.25 0.56 114.94 113.76 3k1b s ASN 141 Ca 0.11 0.90 0.02 0.00 0.21 0.00 0.00 52.86 54.10 3k1b s ASN 141 Cb -0.01 0.84 -0.03 0.00 -0.55 0.00 0.00 41.25 41.50 3k1b s ASN 141 CO 0.07 -0.35 -0.07 -0.44 -2.79 0.00 0.00 177.10 173.51 3k1b s SER 142 N -0.41 0.95 -1.66 -4.21 0.01 -1.26 -3.13 113.70 103.99 3k1b s SER 142 Ca -0.03 -0.72 -0.09 0.00 1.31 0.00 0.00 55.95 56.43 3k1b s SER 142 Cb -0.03 0.06 0.08 0.00 0.21 0.00 0.00 66.02 66.35 3k1b s SER 142 CO 0.02 -0.31 0.25 0.59 0.41 0.00 0.00 173.24 174.21 3k1b n ASN 143 N 0.90 -0.20 -3.71 2.44 3.02 -1.09 0.22 115.26 116.85 3k1b n ASN 143 Ca -0.19 -1.24 -0.22 0.00 -0.03 0.00 0.00 54.58 52.90 3k1b n ASN 143 Cb 0.57 -1.73 0.03 0.00 -0.61 0.00 0.00 39.78 38.04 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 -4.40 -1.96 -2.57 3.10 7.35 -1.10 0.29 117.46 118.18 3k1b n PHE 144 Ca -0.17 0.85 -0.03 0.00 -0.76 0.00 0.00 57.45 57.34 3k1b n PHE 144 Cb 0.61 -4.38 0.01 0.00 0.35 0.00 0.00 39.48 36.07 3k1b n PHE 144 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3k1b n PHE 145 N -4.31 -0.35 -0.93 -5.13 3.72 -0.94 -2.82 117.46 106.69 3k1b n PHE 145 Ca -0.27 0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3k1b n PHE 145 Cb 0.67 -1.52 0.00 0.00 -0.94 0.00 0.00 39.48 37.68 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 -0.74 0.32 0.09 1.37 0.00 0.13 -4.85 105.19 101.50 3k1b n GLY 146 Ca -0.00 0.00 -0.11 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 0.11 -6.91 0.99 3.38 0.46 -3.42 115.31 109.92 3k1b h LEU 147 Ca 0.00 -0.18 -0.61 0.00 0.09 0.00 0.00 57.88 57.18 3k1b h LEU 147 Cb 0.36 -0.04 -0.40 0.00 0.09 0.00 0.00 40.66 40.67 3k1b h LEU 147 CO 0.00 1.15 -0.74 -0.69 0.09 0.00 0.00 178.44 178.25 3k1b s VAL 148 N -2.63 1.53 0.10 1.22 1.01 0.10 -5.00 120.40 116.73 3k1b s VAL 148 Ca -0.05 -2.90 -0.15 0.00 0.00 0.00 0.00 61.98 58.88 3k1b s VAL 148 Cb 0.08 -2.05 -0.09 0.00 0.00 0.00 0.00 36.38 34.32 3k1b s VAL 148 CO 0.83 -0.97 0.28 0.47 0.00 0.00 0.00 175.10 175.70 3k1b n ASP 149 N 3.13 -0.65 0.00 3.32 8.00 -1.26 -2.88 116.55 126.21 3k1b n ASP 149 Ca 0.14 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.24 3k1b n ASP 149 Cb 0.37 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3k1b n ASP 149 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k1b n GLY 150 N 1.05 2.81 3.29 0.44 0.00 -1.26 -4.98 105.19 106.55 3k1b n GLY 150 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 5.37 0.23 0.99 2.96 -1.14 -1.19 118.68 125.90 3k1b s LEU 151 Ca 0.00 -1.53 0.09 0.00 -0.22 0.00 0.00 54.13 52.47 3k1b s LEU 151 Cb 0.00 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 3k1b s LEU 151 CO 0.00 -0.60 -0.06 0.20 -1.32 0.00 0.00 176.35 174.57 3k1b s ASN 152 N 2.36 4.33 0.00 3.68 0.01 0.62 -2.67 114.94 123.27 3k1b s ASN 152 Ca 0.04 -0.65 0.00 0.00 -0.71 0.00 0.00 52.86 51.54 3k1b s ASN 152 Cb -0.24 -0.74 0.00 0.00 0.41 0.00 0.00 41.25 40.68 3k1b s ASN 152 CO 0.03 0.05 0.00 2.22 -1.51 0.00 0.00 177.10 177.89 3k1b n PHE 153 N -0.45 0.00 -3.65 2.20 -1.74 -1.18 -1.44 117.46 111.20 3k1b n PHE 153 Ca -0.08 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.79 3k1b n PHE 153 Cb 0.57 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.54 3k1b n PHE 153 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3k1b s ALA 154 N -2.00 -2.16 0.05 1.98 0.00 -1.19 -3.82 121.76 114.63 3k1b s ALA 154 Ca 0.00 1.92 -0.04 0.00 0.00 0.00 0.00 51.96 53.85 3k1b s ALA 154 Cb 0.00 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 3k1b s ALA 154 CO 0.00 -0.31 0.05 0.54 0.00 0.00 0.00 175.76 176.04 3k1b s VAL 155 N -1.26 0.17 -0.17 0.00 0.11 -0.01 -3.20 120.40 116.04 3k1b s VAL 155 Ca 0.10 -1.39 -0.29 0.00 -2.93 0.00 0.00 61.98 57.48 3k1b s VAL 155 Cb -0.01 -1.18 0.10 0.00 -1.53 0.00 0.00 36.38 33.76 3k1b s VAL 155 CO -0.07 -0.77 0.88 -1.58 -3.33 0.00 0.00 175.10 170.23 3k1b s GLN 156 N -3.28 0.73 0.03 1.54 0.74 0.13 -1.22 119.66 118.34 3k1b s GLN 156 Ca 0.01 0.38 0.02 0.00 0.05 0.00 0.00 55.36 55.82 3k1b s GLN 156 Cb 0.03 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.45 3k1b s GLN 156 CO -0.08 -0.19 0.05 0.71 -0.55 0.00 0.00 175.29 175.23 3k1b s TYR 157 N -0.66 3.16 -0.08 1.67 2.02 -0.69 -1.35 117.35 121.43 3k1b s TYR 157 Ca -0.03 0.10 0.02 0.00 -0.37 0.00 0.00 57.07 56.79 3k1b s TYR 157 Cb -0.02 -1.66 0.01 0.00 -0.40 0.00 0.00 41.96 39.90 3k1b s TYR 157 CO 0.02 0.51 -0.12 -1.17 -1.57 0.00 0.00 175.55 173.22 3k1b s LEU 158 N -1.96 1.59 0.71 -1.29 2.96 0.31 -2.36 118.68 118.64 3k1b s LEU 158 Ca 0.24 -0.31 -0.13 0.00 -0.22 0.00 0.00 54.13 53.71 3k1b s LEU 158 Cb -0.12 -0.85 0.02 0.00 0.50 0.00 0.00 46.19 45.74 3k1b s LEU 158 CO 0.16 0.01 1.11 -0.83 -1.32 0.00 0.00 176.35 175.47 3k1b s GLY 159 N 0.85 1.97 -0.41 7.98 0.00 -0.14 -2.32 107.32 115.25 3k1b s GLY 159 Ca -0.11 0.45 -0.28 0.00 0.00 0.00 0.00 44.72 44.78 3k1b s GLY 159 CO 0.01 0.80 1.79 1.25 0.00 0.00 0.00 173.10 176.96 3k1b s LYS 160 N -4.41 3.16 -0.49 2.90 2.20 -1.26 -4.48 119.74 117.37 3k1b s LYS 160 Ca 0.65 1.19 0.03 0.00 -0.36 0.00 0.00 55.97 57.48 3k1b s LYS 160 Cb -0.19 -4.24 0.14 0.00 -1.51 0.00 0.00 37.83 32.03 3k1b s LYS 160 CO 0.47 -2.07 0.27 -0.80 -0.36 0.00 0.00 175.35 172.87 3k1b s ASN 161 N 6.51 3.85 -0.07 1.43 0.01 0.59 -5.00 114.94 122.26 3k1b s ASN 161 Ca 0.75 -2.88 0.00 0.00 -0.71 0.00 0.00 52.86 50.03 3k1b s ASN 161 Cb -0.19 -1.24 0.07 0.00 0.41 0.00 0.00 41.25 40.30 3k1b s ASN 161 CO 0.30 -0.23 1.56 -0.62 -1.51 0.00 0.00 177.10 176.60 3k1b n GLU 162 N 3.23 1.18 -0.12 -0.60 -0.58 -1.26 -3.27 120.64 119.22 3k1b n GLU 162 Ca 0.10 -0.38 -0.04 0.00 -0.42 0.00 0.00 57.16 56.42 3k1b n GLU 162 Cb 0.34 -1.15 0.04 0.00 -0.57 0.00 0.00 31.44 30.10 3k1b n GLU 162 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3k1b n ARG 163 N 0.76 -0.39 0.09 3.49 1.74 -1.26 -4.80 116.66 116.28 3k1b n ARG 163 Ca 0.07 -0.18 -0.14 0.00 -0.77 0.00 0.00 57.85 56.83 3k1b n ARG 163 Cb 0.58 -0.36 -0.09 0.00 -1.02 0.00 0.00 32.46 31.57 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 -1.83 0.47 -2.56 0.55 3.32 -1.94 -3.47 116.42 110.95 3k1b h ASP 164 Ca -0.05 -0.44 -0.48 0.00 0.02 0.00 0.00 57.03 56.08 3k1b h ASP 164 Cb 0.17 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3k1b h ASP 164 CO 0.03 1.28 -0.32 -0.89 -1.72 0.00 0.00 179.24 177.62 3k1b s THR 165 N -2.96 5.19 -0.02 0.35 2.01 -1.26 -5.01 115.64 113.95 3k1b s THR 165 Ca -0.05 -0.66 -0.15 0.00 0.31 0.00 0.00 61.69 61.14 3k1b s THR 165 Cb 0.08 -3.83 -0.08 0.00 0.01 0.00 0.00 72.50 68.67 3k1b s THR 165 CO 0.87 -0.38 0.72 0.00 -0.69 0.00 0.00 174.62 175.15 3k1b h ALA 166 N 1.20 -0.64 0.00 7.40 0.00 -1.91 -2.42 119.26 122.89 3k1b h ALA 166 Ca -0.50 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3k1b h ALA 166 Cb 1.22 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3k1b h ALA 166 CO 0.63 -0.60 0.00 -2.13 0.00 0.00 0.00 179.25 177.14 3k1b n ARG 167 N -4.60 0.00 0.00 0.00 3.00 -1.26 -2.19 116.66 111.61 3k1b n ARG 167 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 3k1b n ARG 167 Cb 0.22 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.19 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 -0.86 0.56 -1.33 -0.14 5.12 -0.93 -4.88 116.66 114.21 3k1b n ARG 168 Ca 0.00 -0.67 -0.05 0.00 -1.93 0.00 0.00 57.85 55.21 3k1b n ARG 168 Cb 0.00 -0.78 0.02 0.00 -1.16 0.00 0.00 32.46 30.54 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 -0.14 0.42 0.00 0.55 7.64 -0.93 -4.74 113.62 116.42 3k1b n SER 169 Ca 0.00 -1.32 0.00 0.00 1.01 0.00 0.00 58.87 58.56 3k1b n SER 169 Cb 0.24 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 -2.89 0.00 -2.78 6.43 6.94 -1.20 -4.68 115.26 117.08 3k1b n ASN 170 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 3k1b n ASN 170 Cb 0.13 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 3k1b n ASN 170 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3k1b n GLY 171 N 0.00 -2.09 3.93 4.83 0.00 -0.99 -0.30 105.19 110.56 3k1b n GLY 171 Ca 0.00 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.41 6.37 0.04 1.61 1.01 -1.26 -4.45 116.67 118.57 3k1b s ASP 172 Ca 0.00 0.28 -0.07 0.00 0.71 0.00 0.00 52.55 53.46 3k1b s ASP 172 Cb 0.00 -1.96 -0.00 0.00 1.01 0.00 0.00 42.92 41.97 3k1b s ASP 172 CO 0.00 0.12 0.15 -0.83 0.21 0.00 0.00 175.17 174.81 3k1b s GLY 173 N -2.74 0.10 0.31 0.21 0.00 -0.98 -2.57 107.32 101.66 3k1b s GLY 173 Ca 0.36 -0.41 0.06 0.00 0.00 0.00 0.00 44.72 44.72 3k1b s GLY 173 CO 0.28 -0.56 -0.00 0.54 0.00 0.00 0.00 173.10 173.35 3k1b s VAL 174 N -2.55 1.52 0.00 1.40 0.11 -1.20 -0.53 120.40 119.14 3k1b s VAL 174 Ca -0.05 -2.06 0.00 0.00 -2.93 0.00 0.00 61.98 56.94 3k1b s VAL 174 Cb -0.01 -2.66 0.00 0.00 -1.53 0.00 0.00 36.38 32.18 3k1b s VAL 174 CO -0.04 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.19 3k1b n GLY 175 N -0.67 2.07 0.00 6.54 0.00 -0.46 -1.45 105.19 111.22 3k1b n GLY 175 Ca -0.04 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.75 0.81 3.51 -0.02 0.00 -0.31 0.20 105.19 108.63 3k1b n GLY 176 Ca 0.00 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 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 1.73 -0.63 0.07 1.61 1.04 -1.19 0.39 113.70 116.71 3k1b s SER 177 Ca 0.00 1.12 0.06 0.00 0.48 0.00 0.00 55.95 57.61 3k1b s SER 177 Cb 0.00 1.12 -0.03 0.00 0.10 0.00 0.00 66.02 67.21 3k1b s SER 177 CO 0.00 -0.29 -0.15 -0.63 0.98 0.00 0.00 173.24 173.15 3k1b s ILE 178 N 0.02 1.21 -0.08 -1.02 1.09 -0.55 -3.15 121.20 118.74 3k1b s ILE 178 Ca -0.02 -1.26 -0.14 0.00 -1.10 0.00 0.00 60.65 58.13 3k1b s ILE 178 Cb -0.04 -1.14 0.03 0.00 -1.06 0.00 0.00 42.46 40.26 3k1b s ILE 178 CO 0.02 -0.13 0.34 -0.94 -0.10 0.00 0.00 174.94 174.13 3k1b s SER 179 N -1.60 -0.29 -0.17 3.58 1.04 -0.52 -2.76 113.70 112.99 3k1b s SER 179 Ca 0.00 0.42 -0.06 0.00 0.48 0.00 0.00 55.95 56.79 3k1b s SER 179 Cb -0.09 0.53 0.08 0.00 0.10 0.00 0.00 66.02 66.63 3k1b s SER 179 CO 0.02 -0.28 0.37 -0.47 0.98 0.00 0.00 173.24 173.86 3k1b s TYR 180 N -0.54 -0.65 -0.22 5.02 6.04 -0.86 0.23 117.35 126.37 3k1b s TYR 180 Ca -0.06 1.31 -0.02 0.00 0.04 0.00 0.00 57.07 58.34 3k1b s TYR 180 Cb -0.04 0.19 0.01 0.00 -1.04 0.00 0.00 41.96 41.08 3k1b s TYR 180 CO 0.02 -0.42 -0.08 -1.21 -1.54 0.00 0.00 175.55 172.32 3k1b s GLU 181 N 2.40 3.12 -0.28 4.97 2.02 -0.33 -1.28 118.70 129.32 3k1b s GLU 181 Ca -0.02 -0.78 -0.03 0.00 0.02 0.00 0.00 54.97 54.17 3k1b s GLU 181 Cb -0.12 -2.90 0.09 0.00 0.10 0.00 0.00 34.13 31.31 3k1b s GLU 181 CO -0.11 -0.26 0.11 -0.47 0.02 0.00 0.00 175.26 174.54 3k1b s TYR 182 N 1.39 0.93 -0.98 1.61 5.04 0.11 -4.65 117.35 120.79 3k1b s TYR 182 Ca 0.04 -1.19 -0.14 0.00 -2.44 0.00 0.00 57.07 53.34 3k1b s TYR 182 Cb -0.15 -1.22 0.02 0.00 0.35 0.00 0.00 41.96 40.96 3k1b s TYR 182 CO -0.06 -0.81 0.63 -0.85 -1.34 0.00 0.00 175.55 173.11 3k1b n GLU 183 N 5.07 -0.99 0.00 4.97 0.28 -1.26 -1.44 120.64 127.27 3k1b n GLU 183 Ca -0.05 0.46 0.00 0.00 -0.16 0.00 0.00 57.16 57.41 3k1b n GLU 183 Cb 0.43 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 31.03 3k1b n GLU 183 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3k1b n GLY 184 N -1.83 2.75 3.75 -1.84 0.00 -1.26 -5.05 105.19 101.72 3k1b n GLY 184 Ca -0.24 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.00 3.47 -0.20 1.61 2.99 -0.52 -1.48 117.98 121.84 3k1b s PHE 185 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 56.93 57.41 3k1b s PHE 185 Cb 0.00 -2.20 0.02 0.00 0.00 0.00 0.00 43.02 40.84 3k1b s PHE 185 CO 0.00 0.35 -0.16 0.20 -0.00 0.00 0.00 175.22 175.61 3k1b s GLY 186 N 0.15 1.47 -0.25 4.36 0.00 0.14 0.05 107.32 113.25 3k1b s GLY 186 Ca 0.13 -1.31 -0.06 0.00 0.00 0.00 0.00 44.72 43.48 3k1b s GLY 186 CO 0.01 0.36 0.03 -1.50 0.00 0.00 0.00 173.10 172.01 3k1b s ILE 187 N 1.29 3.91 0.03 0.90 2.07 -0.40 -2.16 121.20 126.83 3k1b s ILE 187 Ca 0.03 -0.37 -0.06 0.00 -1.41 0.00 0.00 60.65 58.83 3k1b s ILE 187 Cb -0.14 -2.84 -0.01 0.00 0.13 0.00 0.00 42.46 39.60 3k1b s ILE 187 CO -0.10 0.33 0.11 -0.69 -1.91 0.00 0.00 174.94 172.68 3k1b s VAL 188 N 1.55 0.11 -0.03 4.00 1.01 -0.60 -2.02 120.40 124.42 3k1b s VAL 188 Ca 0.06 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 3k1b s VAL 188 Cb -0.15 -0.72 0.09 0.00 0.00 0.00 0.00 36.38 35.60 3k1b s VAL 188 CO 0.01 -0.52 0.79 -0.83 0.00 0.00 0.00 175.10 174.55 3k1b s GLY 189 N -1.86 -0.48 0.19 4.51 0.00 -1.11 0.88 107.32 109.44 3k1b s GLY 189 Ca -0.09 1.31 -0.24 0.00 0.00 0.00 0.00 44.72 45.71 3k1b s GLY 189 CO -0.02 0.73 0.83 0.00 0.00 0.00 0.00 173.10 174.63 3k1b s ALA 190 N -1.96 -1.50 -0.27 3.20 0.00 0.57 -1.48 121.76 120.32 3k1b s ALA 190 Ca -0.04 0.07 -0.26 0.00 0.00 0.00 0.00 51.96 51.73 3k1b s ALA 190 Cb -0.00 0.72 0.14 0.00 0.00 0.00 0.00 23.12 23.98 3k1b s ALA 190 CO 0.00 -0.99 1.15 -0.47 0.00 0.00 0.00 175.76 175.45 3k1b s TYR 191 N -3.55 -0.33 0.31 0.00 5.04 0.16 -1.76 117.35 117.22 3k1b s TYR 191 Ca 0.10 0.76 -0.08 0.00 -2.44 0.00 0.00 57.07 55.41 3k1b s TYR 191 Cb -0.03 0.41 0.01 0.00 0.35 0.00 0.00 41.96 42.70 3k1b s TYR 191 CO 0.02 -0.19 0.52 0.20 -1.34 0.00 0.00 175.55 174.76 3k1b s GLY 192 N -0.10 0.95 -0.30 8.97 0.00 -0.62 -1.16 107.32 115.06 3k1b s GLY 192 Ca 0.04 -1.16 -0.21 0.00 0.00 0.00 0.00 44.72 43.40 3k1b s GLY 192 CO -0.07 -0.76 1.29 0.00 0.00 0.00 0.00 173.10 173.56 3k1b s ALA 193 N -3.34 -2.39 0.05 3.20 0.00 -0.53 -3.29 121.76 115.46 3k1b s ALA 193 Ca 0.25 1.87 -0.08 0.00 0.00 0.00 0.00 51.96 54.00 3k1b s ALA 193 Cb -0.01 -1.83 -0.00 0.00 0.00 0.00 0.00 23.12 21.28 3k1b s ALA 193 CO 0.14 -0.22 0.17 0.00 0.00 0.00 0.00 175.76 175.86 3k1b s ALA 194 N 0.58 -0.27 0.69 0.00 0.00 -0.89 -3.27 121.76 118.60 3k1b s ALA 194 Ca -0.01 -0.40 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 3k1b s ALA 194 Cb -0.04 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.41 3k1b s ALA 194 CO -0.12 -0.38 1.21 -0.51 0.00 0.00 0.00 175.76 175.96 3k1b s ASP 195 N -2.23 4.46 0.42 0.00 1.01 -1.06 -0.46 116.67 118.82 3k1b s ASP 195 Ca -0.03 2.36 -0.01 0.00 0.71 0.00 0.00 52.55 55.58 3k1b s ASP 195 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 3k1b s ASP 195 CO -0.05 -2.08 0.66 -0.13 0.21 0.00 0.00 175.17 173.77 3k1b s ARG 196 N -3.78 3.32 0.24 8.23 0.52 -1.25 -2.36 118.95 123.87 3k1b s ARG 196 Ca 0.75 -0.26 0.08 0.00 -0.52 0.00 0.00 55.73 55.78 3k1b s ARG 196 Cb -0.30 -2.55 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 3k1b s ARG 196 CO 0.42 -0.12 0.10 0.95 0.02 0.00 0.00 175.30 176.68 3k1b s THR 197 N -2.52 4.05 0.47 0.02 -4.23 -1.26 -4.58 115.64 107.58 3k1b s THR 197 Ca 0.45 -1.54 0.31 0.00 -1.18 0.00 0.00 61.69 59.73 3k1b s THR 197 Cb -0.10 -3.15 0.51 0.00 1.34 0.00 0.00 72.50 71.10 3k1b s THR 197 CO 0.39 -0.31 1.70 0.78 -0.54 0.00 0.00 174.62 176.65 3k1b h ASN 198 N 1.85 0.21 0.52 3.99 2.35 -1.99 1.11 115.58 123.63 3k1b h ASN 198 Ca -0.47 0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.21 3k1b h ASN 198 Cb 1.23 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.64 3k1b h ASN 198 CO 0.60 -0.04 -0.64 0.25 -1.65 0.00 0.00 177.43 175.95 3k1b h LEU 199 N 0.14 0.14 -0.25 1.61 5.85 -1.97 0.99 115.31 121.82 3k1b h LEU 199 Ca 0.71 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 59.31 3k1b h LEU 199 Cb 2.34 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 43.32 3k1b h LEU 199 CO -0.23 0.74 0.04 1.56 -0.34 0.00 0.00 178.44 180.20 3k1b h GLN 200 N 0.08 0.42 -0.29 1.25 4.20 0.97 -3.24 115.11 118.50 3k1b h GLN 200 Ca -0.01 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 3k1b h GLN 200 Cb 1.15 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 3k1b h GLN 200 CO 0.09 0.55 -0.10 0.93 -0.67 0.00 0.00 178.83 179.63 3k1b h GLU 201 N 0.22 0.48 -0.94 1.46 5.08 -0.92 -2.88 114.58 117.08 3k1b h GLU 201 Ca 0.07 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3k1b h GLU 201 Cb 0.34 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3k1b h GLU 201 CO 0.01 0.59 0.00 0.00 -1.00 0.00 0.00 179.01 178.60 3k1b n ALA 202 N -2.48 2.41 -2.21 3.43 0.00 0.26 -4.77 120.51 117.15 3k1b n ALA 202 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.12 3k1b n ALA 202 Cb 0.30 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.94 3.99 0.10 0.00 -1.52 -1.09 -4.97 119.66 115.24 3k1b s GLN 203 Ca 0.00 0.60 -0.22 0.00 -1.95 0.00 0.00 55.36 53.79 3k1b s GLN 203 Cb 0.00 -2.58 -0.11 0.00 -0.22 0.00 0.00 33.01 30.10 3k1b s GLN 203 CO 0.00 0.25 1.73 -1.00 -0.25 0.00 0.00 175.29 176.02 3k1b h PRO 204 N 2.58 0.01 -6.03 2.91 0.14 -1.86 -3.36 132.00 126.38 3k1b h PRO 204 Ca -0.48 -0.00 -0.60 0.00 0.14 0.00 0.00 66.00 65.07 3k1b h PRO 204 Cb 1.18 -0.00 -0.05 0.00 0.14 0.00 0.00 31.00 32.26 3k1b h PRO 204 CO 0.66 0.00 -0.16 -0.51 0.14 0.00 0.00 178.00 178.14 3k1b s LEU 205 N -10.25 4.46 0.00 1.56 1.43 -1.23 -4.90 118.68 109.74 3k1b s LEU 205 Ca -0.13 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 3k1b s LEU 205 Cb 0.07 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.63 3k1b s LEU 205 CO 0.67 0.28 0.00 0.61 0.23 0.00 0.00 176.35 178.13 3k1b n GLY 206 N 1.97 1.31 2.96 -3.19 0.00 -1.23 -3.31 105.19 103.71 3k1b n GLY 206 Ca -0.12 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 4.36 0.00 1.61 -0.87 -1.26 -4.79 114.94 114.00 3k1b s ASN 207 Ca 0.00 -1.71 0.00 0.00 -1.57 0.00 0.00 52.86 49.58 3k1b s ASN 207 Cb 0.00 -1.37 0.00 0.00 -0.02 0.00 0.00 41.25 39.86 3k1b s ASN 207 CO 0.00 -0.32 0.00 0.61 -2.57 0.00 0.00 177.10 174.82 3k1b n GLY 208 N 4.49 2.47 0.01 0.66 0.00 -1.26 -4.88 105.19 106.68 3k1b n GLY 208 Ca -0.04 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.88 3k1b n GLY 208 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k1b n LYS 209 N -0.49 0.02 -3.66 1.61 5.02 -1.26 -4.81 118.16 114.59 3k1b n LYS 209 Ca 0.00 0.26 -0.08 0.00 -2.02 0.00 0.00 58.31 56.47 3k1b n LYS 209 Cb 0.00 -1.53 -0.09 0.00 -0.02 0.00 0.00 35.03 33.39 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 -3.02 0.38 -0.03 1.97 2.47 -1.26 -3.97 119.74 116.29 3k1b s LYS 210 Ca 0.07 1.07 -0.05 0.00 -1.56 0.00 0.00 55.97 55.50 3k1b s LYS 210 Cb 0.10 0.35 -0.04 0.00 -1.46 0.00 0.00 37.83 36.77 3k1b s LYS 210 CO 0.28 -0.23 0.20 0.00 0.16 0.00 0.00 175.35 175.76 3k1b s ALA 211 N 2.43 3.91 -0.12 3.13 0.00 0.39 -4.70 121.76 126.80 3k1b s ALA 211 Ca -0.04 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 3k1b s ALA 211 Cb -0.11 -1.96 0.05 0.00 0.00 0.00 0.00 23.12 21.10 3k1b s ALA 211 CO -0.14 0.69 0.29 -1.21 0.00 0.00 0.00 175.76 175.40 3k1b s GLU 212 N -1.71 0.26 0.02 0.00 2.02 0.15 -2.09 118.70 117.35 3k1b s GLU 212 Ca 0.25 0.61 0.08 0.00 0.02 0.00 0.00 54.97 55.93 3k1b s GLU 212 Cb -0.13 -0.09 -0.03 0.00 0.10 0.00 0.00 34.13 33.98 3k1b s GLU 212 CO 0.15 -0.16 -0.23 -0.65 0.02 0.00 0.00 175.26 174.39 3k1b s GLN 213 N 1.31 2.02 0.32 1.61 -0.21 -1.21 0.21 119.66 123.72 3k1b s GLN 213 Ca -0.09 -0.99 -0.19 0.00 0.02 0.00 0.00 55.36 54.11 3k1b s GLN 213 Cb -0.10 -2.09 0.04 0.00 1.00 0.00 0.00 33.01 31.87 3k1b s GLN 213 CO -0.10 0.54 0.78 1.67 -2.12 0.00 0.00 175.29 176.07 3k1b s TRP 214 N -0.77 -0.03 0.00 0.91 1.48 -0.91 -1.59 118.94 118.03 3k1b s TRP 214 Ca 0.12 -0.53 0.00 0.00 -1.06 0.00 0.00 56.10 54.63 3k1b s TRP 214 Cb -0.10 0.77 0.00 0.00 -1.16 0.00 0.00 33.47 32.98 3k1b s TRP 214 CO 0.02 -1.36 0.00 0.00 -4.06 0.00 0.00 176.95 171.54 3k1b n ALA 215 N -0.51 0.00 -3.45 2.67 0.00 -0.72 -1.93 120.51 116.56 3k1b n ALA 215 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 3k1b n ALA 215 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.00 3k1b n ALA 215 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3k1b s THR 216 N -2.00 0.00 -0.12 0.00 -4.23 0.06 -0.32 115.64 109.04 3k1b s THR 216 Ca 0.00 -0.02 -0.06 0.00 -1.18 0.00 0.00 61.69 60.43 3k1b s THR 216 Cb 0.00 -1.00 0.05 0.00 1.34 0.00 0.00 72.50 72.89 3k1b s THR 216 CO 0.00 -0.01 0.29 -0.83 -0.54 0.00 0.00 174.62 173.52 3k1b s GLY 217 N -1.98 -0.19 -0.05 3.99 0.00 0.25 -1.10 107.32 108.25 3k1b s GLY 217 Ca -0.05 1.13 0.05 0.00 0.00 0.00 0.00 44.72 45.85 3k1b s GLY 217 CO -0.02 1.37 -0.20 -2.27 0.00 0.00 0.00 173.10 171.98 3k1b s LEU 218 N 1.31 1.97 0.13 0.66 0.20 -0.69 -1.55 118.68 120.70 3k1b s LEU 218 Ca -0.09 -0.40 -0.23 0.00 0.69 0.00 0.00 54.13 54.09 3k1b s LEU 218 Cb -0.10 -1.09 0.07 0.00 -0.43 0.00 0.00 46.19 44.63 3k1b s LEU 218 CO -0.10 0.19 0.59 -1.59 -0.29 0.00 0.00 176.35 175.15 3k1b s LYS 219 N -0.05 1.22 -0.21 1.98 -2.85 -0.92 -1.17 119.74 117.74 3k1b s LYS 219 Ca -0.03 -0.40 -0.01 0.00 -1.00 0.00 0.00 55.97 54.53 3k1b s LYS 219 Cb -0.12 0.56 0.06 0.00 -2.06 0.00 0.00 37.83 36.27 3k1b s LYS 219 CO 0.02 -0.51 -0.01 -0.47 0.10 0.00 0.00 175.35 174.48 3k1b s TYR 220 N -3.40 1.69 -0.11 1.78 5.04 2.08 0.28 117.35 124.72 3k1b s TYR 220 Ca -0.01 -1.28 0.03 0.00 -2.44 0.00 0.00 57.07 53.37 3k1b s TYR 220 Cb -0.01 -1.30 -0.00 0.00 0.35 0.00 0.00 41.96 41.00 3k1b s TYR 220 CO -0.10 -0.69 -0.20 0.34 -1.34 0.00 0.00 175.55 173.56 3k1b s ASP 221 N 1.63 3.39 0.00 4.32 -1.08 -0.55 0.18 116.67 124.56 3k1b s ASP 221 Ca -0.03 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.51 3k1b s ASP 221 Cb -0.18 -1.48 0.00 0.00 -1.46 0.00 0.00 42.92 39.80 3k1b s ASP 221 CO -0.07 0.16 0.00 0.00 0.52 0.00 0.00 175.17 175.77 3k1b n ALA 222 N 3.56 0.00 -1.49 3.66 0.00 -1.13 -4.23 120.51 120.89 3k1b n ALA 222 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 3k1b n ALA 222 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 3k1b n ALA 222 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k1b n ASN 223 N 0.00 -3.81 -1.66 0.00 4.13 -1.26 -2.44 115.26 110.21 3k1b n ASN 223 Ca 0.00 0.16 -0.12 0.00 1.68 0.00 0.00 54.58 56.30 3k1b n ASN 223 Cb 0.00 -2.34 0.01 0.00 -1.54 0.00 0.00 39.78 35.91 3k1b n ASN 223 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3k1b n ASN 224 N 0.51 -4.00 -3.70 6.41 3.02 -1.26 -5.00 115.26 111.25 3k1b n ASN 224 Ca -0.09 -0.12 -0.19 0.00 -0.03 0.00 0.00 54.58 54.14 3k1b n ASN 224 Cb 0.36 -2.97 -0.18 0.00 -0.61 0.00 0.00 39.78 36.39 3k1b n ASN 224 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3k1b s ILE 225 N -2.81 -0.04 -0.22 2.41 -4.36 -1.02 -2.18 121.20 112.97 3k1b s ILE 225 Ca 0.13 0.35 -0.10 0.00 -0.26 0.00 0.00 60.65 60.77 3k1b s ILE 225 Cb -0.06 -0.18 -0.05 0.00 1.25 0.00 0.00 42.46 43.43 3k1b s ILE 225 CO 0.16 0.17 0.14 -0.47 0.24 0.00 0.00 174.94 175.18 3k1b s TYR 226 N 1.93 3.33 -0.08 1.37 6.04 0.78 -2.84 117.35 127.89 3k1b s TYR 226 Ca 0.02 0.23 -0.02 0.00 0.04 0.00 0.00 57.07 57.34 3k1b s TYR 226 Cb -0.12 -2.21 0.03 0.00 -1.04 0.00 0.00 41.96 38.62 3k1b s TYR 226 CO -0.03 0.14 0.04 -0.51 -1.54 0.00 0.00 175.55 173.65 3k1b s LEU 227 N 0.76 0.37 -0.30 6.97 1.43 0.47 -1.49 118.68 126.90 3k1b s LEU 227 Ca 0.07 -0.11 -0.14 0.00 -1.03 0.00 0.00 54.13 52.92 3k1b s LEU 227 Cb -0.13 -0.28 0.15 0.00 0.03 0.00 0.00 46.19 45.97 3k1b s LEU 227 CO 0.02 -0.25 0.88 0.00 0.23 0.00 0.00 176.35 177.23 3k1b s ALA 228 N 2.08 -2.41 0.21 4.21 0.00 -1.08 0.53 121.76 125.31 3k1b s ALA 228 Ca 0.04 2.18 0.00 0.00 0.00 0.00 0.00 51.96 54.18 3k1b s ALA 228 Cb -0.13 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 3k1b s ALA 228 CO -0.05 -0.79 0.09 0.00 0.00 0.00 0.00 175.76 175.01 3k1b s ALA 229 N 2.29 1.36 0.02 0.00 0.00 -0.32 -1.74 121.76 123.36 3k1b s ALA 229 Ca -0.05 -1.72 0.02 0.00 0.00 0.00 0.00 51.96 50.20 3k1b s ALA 229 Cb -0.07 1.11 -0.01 0.00 0.00 0.00 0.00 23.12 24.15 3k1b s ALA 229 CO -0.18 -0.50 -0.06 -0.80 0.00 0.00 0.00 175.76 174.22 3k1b s ASN 230 N -3.20 0.71 -0.12 0.00 0.02 0.63 -1.70 114.94 111.28 3k1b s ASN 230 Ca 0.35 -0.31 -0.10 0.00 -1.02 0.00 0.00 52.86 51.78 3k1b s ASN 230 Cb 0.07 -0.02 0.04 0.00 0.02 0.00 0.00 41.25 41.36 3k1b s ASN 230 CO 0.10 -0.06 0.32 -0.47 0.02 0.00 0.00 177.10 177.01 3k1b s TYR 231 N -0.72 -0.38 -0.16 2.20 5.04 -0.26 -1.39 117.35 121.69 3k1b s TYR 231 Ca -0.04 0.90 -0.31 0.00 -2.44 0.00 0.00 57.07 55.18 3k1b s TYR 231 Cb -0.06 0.13 0.14 0.00 0.35 0.00 0.00 41.96 42.52 3k1b s TYR 231 CO 0.00 -0.19 1.07 0.20 -1.34 0.00 0.00 175.55 175.29 3k1b s GLY 232 N 0.41 -0.25 0.47 8.97 0.00 -0.99 -0.76 107.32 115.17 3k1b s GLY 232 Ca -0.02 1.92 0.03 0.00 0.00 0.00 0.00 44.72 46.65 3k1b s GLY 232 CO -0.02 0.85 0.01 -0.54 0.00 0.00 0.00 173.10 173.40 3k1b s GLU 233 N -1.64 2.10 -0.01 2.90 2.02 -0.81 -0.61 118.70 122.64 3k1b s GLU 233 Ca 0.03 -2.29 0.01 0.00 0.02 0.00 0.00 54.97 52.74 3k1b s GLU 233 Cb -0.01 -1.49 0.00 0.00 0.10 0.00 0.00 34.13 32.74 3k1b s GLU 233 CO -0.03 -0.28 -0.03 0.95 0.02 0.00 0.00 175.26 175.90 3k1b s THR 234 N -2.86 0.30 -0.59 3.63 -4.23 -0.68 -2.13 115.64 109.07 3k1b s THR 234 Ca 0.16 -0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.44 3k1b s THR 234 Cb 0.04 -0.29 0.15 0.00 1.34 0.00 0.00 72.50 73.74 3k1b s THR 234 CO 0.08 0.11 0.50 -0.13 -0.54 0.00 0.00 174.62 174.64 3k1b s ARG 235 N 0.21 2.90 -1.42 3.99 1.81 0.56 -2.99 118.95 124.01 3k1b s ARG 235 Ca -0.02 -1.98 -0.08 0.00 -1.72 0.00 0.00 55.73 51.93 3k1b s ARG 235 Cb -0.05 -4.14 0.02 0.00 -0.45 0.00 0.00 34.95 30.33 3k1b s ARG 235 CO -0.00 -1.26 1.03 0.09 -0.68 0.00 0.00 175.30 174.48 3k1b n ASN 236 N 4.67 -6.20 -0.00 0.23 3.02 -0.90 0.31 115.26 116.39 3k1b n ASN 236 Ca -0.03 -0.50 -0.00 0.00 -0.03 0.00 0.00 54.58 54.01 3k1b n ASN 236 Cb 0.42 -4.91 -0.00 0.00 -0.61 0.00 0.00 39.78 34.67 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 -4.64 2.38 -1.56 5.41 0.00 -1.26 -4.61 120.51 116.23 3k1b n ALA 237 Ca -0.02 -0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.03 3k1b n ALA 237 Cb 0.57 0.49 -0.03 0.00 0.00 0.00 0.00 19.45 20.48 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 -2.71 0.03 -1.79 0.00 -1.04 -1.26 -4.88 114.28 102.63 3k1b n THR 238 Ca -0.01 -0.70 -0.39 0.00 -2.04 0.00 0.00 64.05 60.92 3k1b n THR 238 Cb 0.51 -2.69 0.03 0.00 -1.82 0.00 0.00 70.33 66.36 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 7.78 3.40 0.11 -2.82 0.04 -1.26 -3.13 135.00 139.12 3k1b s PRO 239 Ca 1.00 2.33 -0.07 0.00 0.04 0.00 0.00 61.00 64.30 3k1b s PRO 239 Cb -0.25 -2.45 -0.01 0.00 0.04 0.00 0.00 34.50 31.83 3k1b s PRO 239 CO 0.29 -1.01 0.17 0.96 0.04 0.00 0.00 177.00 177.45 3k1b s ILE 240 N -1.25 0.13 0.40 0.56 -4.36 0.10 -4.91 121.20 111.87 3k1b s ILE 240 Ca 0.66 -1.37 0.03 0.00 -0.26 0.00 0.00 60.65 59.72 3k1b s ILE 240 Cb -0.42 -1.54 -0.04 0.00 1.25 0.00 0.00 42.46 41.71 3k1b s ILE 240 CO 0.52 -0.59 0.08 -0.89 0.24 0.00 0.00 174.94 174.30 3k1b s THR 241 N -3.91 0.90 -0.32 8.37 2.01 -1.26 -3.12 115.64 118.32 3k1b s THR 241 Ca 0.10 -2.00 0.12 0.00 0.31 0.00 0.00 61.69 60.21 3k1b s THR 241 Cb 0.05 -2.46 0.46 0.00 0.01 0.00 0.00 72.50 70.56 3k1b s THR 241 CO -0.07 0.00 1.13 -3.20 -0.69 0.00 0.00 174.62 171.78 3k1b n ASN 242 N -1.12 3.70 0.09 3.53 2.85 0.17 -4.72 115.26 119.76 3k1b n ASN 242 Ca -0.07 -3.22 0.00 0.00 -0.11 0.00 0.00 54.58 51.18 3k1b n ASN 242 Cb 0.66 -0.42 0.00 0.00 1.24 0.00 0.00 39.78 41.26 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 -0.56 0.01 0.13 1.20 4.01 -1.16 -0.25 118.16 121.54 3k1b n LYS 243 Ca 0.30 0.25 -0.12 0.00 -0.51 0.00 0.00 58.31 58.24 3k1b n LYS 243 Cb 0.85 -0.76 -0.07 0.00 -0.51 0.00 0.00 35.03 34.53 3k1b n LYS 243 CO 0.00 0.00 0.00 0.74 -1.11 0.00 0.00 177.40 177.03 3k1b h PHE 244 N 0.00 -0.36 -0.71 2.13 -1.00 -1.91 -3.27 116.94 111.83 3k1b h PHE 244 Ca 0.00 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 3k1b h PHE 244 Cb 0.57 0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.25 3k1b h PHE 244 CO 0.00 -0.00 0.00 0.25 -1.61 0.00 0.00 178.31 176.95 3k1b n THR 245 N -5.07 1.04 -1.89 -1.55 -2.24 0.65 -4.88 114.28 100.35 3k1b n THR 245 Ca -0.09 -1.01 -0.16 0.00 -2.27 0.00 0.00 64.05 60.52 3k1b n THR 245 Cb 0.26 0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 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 1.56 -4.46 -4.73 3.42 5.03 -1.19 -4.92 115.26 109.97 3k1b n ASN 246 Ca 0.24 0.27 -0.41 0.00 0.87 0.00 0.00 54.58 55.54 3k1b n ASN 246 Cb 0.62 -3.91 -0.04 0.00 -1.02 0.00 0.00 39.78 35.44 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 -2.55 3.94 0.33 3.41 2.01 -1.26 -4.89 115.64 116.63 3k1b s THR 247 Ca 0.00 1.57 0.04 0.00 0.31 0.00 0.00 61.69 63.61 3k1b s THR 247 Cb 0.00 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 3k1b s THR 247 CO 0.00 0.22 0.16 -0.44 -0.69 0.00 0.00 174.62 173.88 3k1b s SER 248 N 0.27 1.81 0.00 3.53 0.01 -1.26 -0.65 113.70 117.41 3k1b s SER 248 Ca 0.52 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 56.19 3k1b s SER 248 Cb -0.29 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.35 3k1b s SER 248 CO 0.33 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.69 3k1b n GLY 249 N -0.65 0.32 3.59 3.44 0.00 -1.18 -3.57 105.19 107.14 3k1b n GLY 249 Ca 0.00 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.20 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 1.90 -0.30 1.61 0.40 -1.21 0.00 117.98 120.38 3k1b s PHE 250 Ca 0.00 -1.08 0.03 0.00 -0.60 0.00 0.00 56.93 55.27 3k1b s PHE 250 Cb 0.00 -1.37 0.09 0.00 0.51 0.00 0.00 43.02 42.25 3k1b s PHE 250 CO 0.00 -0.03 0.01 0.00 0.70 0.00 0.00 175.22 175.90 3k1b s ALA 251 N -3.08 2.51 0.36 5.36 0.00 -1.18 -3.48 121.76 122.24 3k1b s ALA 251 Ca 0.21 -2.08 0.21 0.00 0.00 0.00 0.00 51.96 50.31 3k1b s ALA 251 Cb 0.04 -1.76 1.28 0.00 0.00 0.00 0.00 23.12 22.68 3k1b s ALA 251 CO 0.11 -1.50 1.47 0.09 0.00 0.00 0.00 175.76 175.93 3k1b n ASN 252 N 4.43 0.30 -3.83 0.00 3.02 -1.26 -3.70 115.26 114.23 3k1b n ASN 252 Ca -0.03 1.50 -0.15 0.00 -0.03 0.00 0.00 54.58 55.86 3k1b n ASN 252 Cb 0.42 -0.73 -0.15 0.00 -0.61 0.00 0.00 39.78 38.71 3k1b n ASN 252 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3k1b s LYS 253 N -5.36 0.16 0.18 3.52 -0.14 -1.09 -2.12 119.74 114.89 3k1b s LYS 253 Ca -0.08 0.06 -0.06 0.00 -1.36 0.00 0.00 55.97 54.54 3k1b s LYS 253 Cb 0.31 -0.31 -0.02 0.00 -1.68 0.00 0.00 37.83 36.12 3k1b s LYS 253 CO 0.73 -0.09 0.23 0.95 -0.76 0.00 0.00 175.35 176.41 3k1b s THR 254 N 0.71 0.04 -0.14 2.17 -4.23 -1.16 -0.14 115.64 112.89 3k1b s THR 254 Ca -0.07 -1.67 -0.07 0.00 -1.18 0.00 0.00 61.69 58.70 3k1b s THR 254 Cb -0.10 -2.13 0.06 0.00 1.34 0.00 0.00 72.50 71.68 3k1b s THR 254 CO -0.02 -0.20 0.33 -1.10 -0.54 0.00 0.00 174.62 173.09 3k1b s GLN 255 N -4.05 0.28 0.03 3.99 -0.21 -0.90 -1.68 119.66 117.13 3k1b s GLN 255 Ca 0.26 0.71 0.02 0.00 0.02 0.00 0.00 55.36 56.36 3k1b s GLN 255 Cb 0.05 -0.03 -0.02 0.00 1.00 0.00 0.00 33.01 34.01 3k1b s GLN 255 CO 0.05 -0.19 -0.07 -0.51 -2.12 0.00 0.00 175.29 172.45 3k1b s ASP 256 N 1.61 0.82 0.03 5.90 1.01 0.22 -2.79 116.67 123.47 3k1b s ASP 256 Ca -0.07 -0.47 0.04 0.00 0.71 0.00 0.00 52.55 52.75 3k1b s ASP 256 Cb -0.10 0.02 -0.02 0.00 1.01 0.00 0.00 42.92 43.83 3k1b s ASP 256 CO -0.11 -0.16 -0.11 0.68 0.21 0.00 0.00 175.17 175.69 3k1b s VAL 257 N -1.16 0.86 0.01 -1.27 -7.23 -0.23 -2.34 120.40 109.03 3k1b s VAL 257 Ca -0.08 -0.82 0.08 0.00 -1.81 0.00 0.00 61.98 59.35 3k1b s VAL 257 Cb -0.09 -0.79 -0.02 0.00 0.56 0.00 0.00 36.38 36.04 3k1b s VAL 257 CO 0.00 -0.01 -0.24 -0.76 -0.31 0.00 0.00 175.10 173.78 3k1b s LEU 258 N -0.93 2.10 -0.20 1.32 2.01 -0.49 -1.63 118.68 120.86 3k1b s LEU 258 Ca -0.00 -0.49 -0.04 0.00 0.01 0.00 0.00 54.13 53.61 3k1b s LEU 258 Cb -0.07 -1.22 0.08 0.00 0.01 0.00 0.00 46.19 44.99 3k1b s LEU 258 CO 0.01 0.27 0.18 -0.76 1.01 0.00 0.00 176.35 177.05 3k1b s LEU 259 N -0.83 0.07 -0.05 1.79 1.43 -0.92 -0.26 118.68 119.90 3k1b s LEU 259 Ca 0.10 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 3k1b s LEU 259 Cb -0.09 0.14 0.00 0.00 0.03 0.00 0.00 46.19 46.26 3k1b s LEU 259 CO 0.00 -0.34 -0.17 -0.69 0.23 0.00 0.00 176.35 175.37 3k1b s VAL 260 N 2.25 1.48 -0.12 -1.59 1.01 -0.71 0.30 120.40 123.02 3k1b s VAL 260 Ca 0.06 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3k1b s VAL 260 Cb -0.16 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 34.95 3k1b s VAL 260 CO -0.13 0.43 -0.20 0.00 0.00 0.00 0.00 175.10 175.19 3k1b s ALA 261 N 0.19 2.01 0.06 5.51 0.00 -0.54 -2.63 121.76 126.37 3k1b s ALA 261 Ca -0.08 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 50.89 3k1b s ALA 261 Cb -0.13 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 3k1b s ALA 261 CO 0.03 0.03 0.12 -0.65 0.00 0.00 0.00 175.76 175.30 3k1b s GLN 262 N 0.76 0.72 -0.27 0.00 -0.21 -0.55 0.17 119.66 120.28 3k1b s GLN 262 Ca -0.10 -0.93 -0.17 0.00 0.02 0.00 0.00 55.36 54.18 3k1b s GLN 262 Cb -0.16 0.28 0.08 0.00 1.00 0.00 0.00 33.01 34.21 3k1b s GLN 262 CO 0.01 -0.20 0.67 -0.47 -2.12 0.00 0.00 175.29 173.17 3k1b s TYR 263 N -3.46 -0.99 -0.42 0.91 5.04 -0.58 -0.16 117.35 117.70 3k1b s TYR 263 Ca 0.02 2.03 -0.06 0.00 -2.44 0.00 0.00 57.07 56.61 3k1b s TYR 263 Cb 0.04 0.56 0.10 0.00 0.35 0.00 0.00 41.96 43.00 3k1b s TYR 263 CO -0.09 -0.49 0.25 -1.14 -1.34 0.00 0.00 175.55 172.74 3k1b s GLN 264 N 1.44 2.33 0.60 4.97 2.00 -0.93 -2.82 119.66 127.26 3k1b s GLN 264 Ca -0.09 -1.68 -0.17 0.00 -2.00 0.00 0.00 55.36 51.42 3k1b s GLN 264 Cb -0.05 -3.72 -0.03 0.00 0.80 0.00 0.00 33.01 30.01 3k1b s GLN 264 CO -0.16 -1.05 1.13 -0.06 -0.50 0.00 0.00 175.29 174.65 3k1b s PHE 265 N 1.29 2.59 0.63 1.67 0.40 0.90 -4.83 117.98 120.63 3k1b s PHE 265 Ca 0.05 1.55 0.33 0.00 -0.60 0.00 0.00 56.93 58.26 3k1b s PHE 265 Cb -0.24 -3.27 1.82 0.00 0.51 0.00 0.00 43.02 41.84 3k1b s PHE 265 CO -0.01 -1.74 2.10 -0.44 0.70 0.00 0.00 175.22 175.83 3k1b h ASP 266 N 0.65 0.00 -0.37 1.36 3.32 -1.99 0.26 116.42 119.65 3k1b h ASP 266 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3k1b h ASP 266 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3k1b h ASP 266 CO 0.55 0.00 0.00 2.22 -1.72 0.00 0.00 179.24 180.29 3k1b n PHE 267 N -3.38 0.98 -0.58 4.55 -1.74 -1.26 -4.92 117.46 111.11 3k1b n PHE 267 Ca -0.00 -0.72 0.00 0.00 -0.56 0.00 0.00 57.45 56.17 3k1b n PHE 267 Cb 0.30 -0.24 0.00 0.00 1.52 0.00 0.00 39.48 41.06 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 0.10 0.68 3.86 4.97 0.00 0.91 -4.83 105.19 110.88 3k1b n GLY 268 Ca 0.20 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 4.10 -0.51 0.99 2.96 -1.26 -0.68 118.68 124.28 3k1b s LEU 269 Ca 0.00 1.14 0.07 0.00 -0.22 0.00 0.00 54.13 55.12 3k1b s LEU 269 Cb 0.00 -3.93 0.19 0.00 0.50 0.00 0.00 46.19 42.95 3k1b s LEU 269 CO 0.00 -0.16 0.70 -0.60 -1.32 0.00 0.00 176.35 174.97 3k1b s ARG 270 N -2.94 1.05 0.92 1.98 3.52 -0.62 0.31 118.95 123.16 3k1b s ARG 270 Ca 0.52 -1.05 -0.11 0.00 -0.13 0.00 0.00 55.73 54.95 3k1b s ARG 270 Cb -0.11 -0.11 0.14 0.00 -1.56 0.00 0.00 34.95 33.32 3k1b s ARG 270 CO 0.19 -1.32 1.09 -2.14 -0.81 0.00 0.00 175.30 172.31 3k1b s PRO 271 N 0.91 1.07 -0.19 5.12 0.02 -1.13 -1.41 135.00 139.39 3k1b s PRO 271 Ca 0.29 1.04 -0.05 0.00 0.02 0.00 0.00 61.00 62.30 3k1b s PRO 271 Cb -0.00 -1.77 0.10 0.00 0.02 0.00 0.00 34.50 32.84 3k1b s PRO 271 CO -0.06 -2.43 0.35 -1.54 -0.33 0.00 0.00 177.00 172.99 3k1b s SER 272 N -3.13 0.15 0.23 2.53 1.04 0.11 -1.52 113.70 113.12 3k1b s SER 272 Ca 0.64 0.60 0.08 0.00 0.48 0.00 0.00 55.95 57.75 3k1b s SER 272 Cb -0.20 1.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.93 3k1b s SER 272 CO 0.58 -0.26 0.05 -0.51 0.98 0.00 0.00 173.24 174.08 3k1b s ILE 273 N 2.53 3.80 -0.28 -1.02 1.10 0.44 -2.43 121.20 125.35 3k1b s ILE 273 Ca 0.04 -1.63 -0.20 0.00 -0.51 0.00 0.00 60.65 58.35 3k1b s ILE 273 Cb -0.13 -3.00 0.08 0.00 0.15 0.00 0.00 42.46 39.56 3k1b s ILE 273 CO -0.12 -0.29 0.74 0.00 -2.11 0.00 0.00 174.94 173.16 3k1b s ALA 274 N -2.10 -1.88 0.35 1.50 0.00 0.28 -1.46 121.76 118.46 3k1b s ALA 274 Ca 0.31 2.23 0.08 0.00 0.00 0.00 0.00 51.96 54.58 3k1b s ALA 274 Cb -0.08 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 3k1b s ALA 274 CO 0.21 -0.35 0.12 -0.47 0.00 0.00 0.00 175.76 175.26 3k1b s TYR 275 N 1.08 2.65 -0.30 0.00 5.04 0.15 0.71 117.35 126.67 3k1b s TYR 275 Ca -0.06 -0.43 -0.12 0.00 -2.44 0.00 0.00 57.07 54.02 3k1b s TYR 275 Cb -0.05 -1.67 0.18 0.00 0.35 0.00 0.00 41.96 40.77 3k1b s TYR 275 CO -0.11 0.34 1.06 0.99 -1.34 0.00 0.00 175.55 176.49 3k1b s THR 276 N -2.48 -0.27 -0.09 4.34 2.01 -0.58 -2.16 115.64 116.41 3k1b s THR 276 Ca 0.38 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.37 3k1b s THR 276 Cb -0.01 -0.57 0.03 0.00 0.01 0.00 0.00 72.50 71.96 3k1b s THR 276 CO 0.22 0.00 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.36 3k1b s LYS 277 N 2.96 1.05 -0.42 4.92 2.47 -0.64 0.27 119.74 130.34 3k1b s LYS 277 Ca 0.15 -0.07 0.02 0.00 -1.56 0.00 0.00 55.97 54.51 3k1b s LYS 277 Cb -0.05 -1.27 0.13 0.00 -1.46 0.00 0.00 37.83 35.18 3k1b s LYS 277 CO -0.18 -0.29 0.22 0.45 0.16 0.00 0.00 175.35 175.71 3k1b s SER 278 N 1.85 3.68 0.08 1.43 0.15 0.19 -1.07 113.70 120.00 3k1b s SER 278 Ca 0.05 -2.49 -0.17 0.00 0.70 0.00 0.00 55.95 54.03 3k1b s SER 278 Cb -0.12 -1.00 -0.07 0.00 -1.71 0.00 0.00 66.02 63.12 3k1b s SER 278 CO -0.07 -0.29 0.54 -1.59 1.20 0.00 0.00 173.24 173.04 3k1b s LYS 279 N 0.53 4.10 -0.12 5.44 -2.85 -1.12 0.60 119.74 126.31 3k1b s LYS 279 Ca 0.17 0.62 -0.06 0.00 -1.00 0.00 0.00 55.97 55.70 3k1b s LYS 279 Cb -0.24 -3.15 -0.04 0.00 -2.06 0.00 0.00 37.83 32.34 3k1b s LYS 279 CO -0.02 0.60 0.10 0.00 0.10 0.00 0.00 175.35 176.13 3k1b s ALA 280 N -1.20 3.68 -0.08 0.59 0.00 1.07 -2.11 121.76 123.71 3k1b s ALA 280 Ca 0.30 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.61 3k1b s ALA 280 Cb -0.18 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 3k1b s ALA 280 CO 0.18 0.55 -0.19 0.15 0.00 0.00 0.00 175.76 176.45 3k1b s LYS 281 N -0.79 2.85 0.00 0.00 1.02 0.80 -1.28 119.74 122.34 3k1b s LYS 281 Ca 0.13 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.33 3k1b s LYS 281 Cb -0.12 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 3k1b s LYS 281 CO 0.03 0.36 0.00 -0.25 -0.92 0.00 0.00 175.35 174.56 3k1b n ASP 282 N 3.06 -1.56 -4.57 2.83 8.00 0.41 -2.67 116.55 122.06 3k1b n ASP 282 Ca -0.18 0.00 -0.48 0.00 0.71 0.00 0.00 54.79 54.85 3k1b n ASP 282 Cb 0.52 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 41.31 3k1b n ASP 282 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3k1b n VAL 283 N -2.52 0.37 -0.47 2.53 0.31 -1.11 -4.63 118.33 112.81 3k1b n VAL 283 Ca 0.00 -0.26 -0.15 0.00 -0.01 0.00 0.00 64.34 63.92 3k1b n VAL 283 Cb 0.00 -1.99 -0.05 0.00 -0.91 0.00 0.00 33.84 30.89 3k1b n VAL 283 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3k1b n GLU 284 N 7.82 0.00 -1.55 5.55 0.00 -1.26 0.24 120.64 131.45 3k1b n GLU 284 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.47 3k1b n GLU 284 Cb 0.32 -0.49 0.00 0.00 0.00 0.00 0.00 31.44 31.26 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 2.21 0.50 2.02 -1.84 0.00 -1.26 -4.75 105.19 102.07 3k1b n GLY 285 Ca 0.21 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.49 0.00 0.00 -0.61 -0.00 -0.86 -5.09 119.36 109.32 3k1b n ILE 286 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 3k1b n ILE 286 Cb 0.32 -0.34 0.00 0.00 -0.00 0.00 0.00 39.64 39.62 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 0.54 1.01 3.30 7.39 0.00 0.14 -4.91 105.19 112.65 3k1b n GLY 287 Ca 0.00 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 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 3.42 0.12 1.61 1.11 -1.26 0.16 116.67 117.82 3k1b s ASP 288 Ca 0.00 -0.45 -0.04 0.00 0.18 0.00 0.00 52.55 52.24 3k1b s ASP 288 Cb 0.00 -1.26 -0.03 0.00 1.07 0.00 0.00 42.92 42.70 3k1b s ASP 288 CO 0.00 0.20 0.11 -0.69 1.18 0.00 0.00 175.17 175.97 3k1b s VAL 289 N 0.11 0.12 -0.22 -1.27 1.01 -0.41 -4.90 120.40 114.84 3k1b s VAL 289 Ca -0.10 -1.68 -0.05 0.00 0.00 0.00 0.00 61.98 60.15 3k1b s VAL 289 Cb -0.16 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 3k1b s VAL 289 CO 0.06 -0.56 0.01 -1.81 0.00 0.00 0.00 175.10 172.80 3k1b s ASP 290 N -2.98 4.76 0.12 3.32 1.11 -1.26 0.35 116.67 122.09 3k1b s ASP 290 Ca 0.17 -0.27 -0.00 0.00 0.18 0.00 0.00 52.55 52.63 3k1b s ASP 290 Cb 0.06 -1.83 -0.15 0.00 1.07 0.00 0.00 42.92 42.08 3k1b s ASP 290 CO -0.03 0.00 1.27 -0.07 1.18 0.00 0.00 175.17 177.52 3k1b h LEU 291 N 7.96 0.32 -6.85 1.23 3.38 -0.18 -3.45 115.31 117.72 3k1b h LEU 291 Ca -0.39 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.22 3k1b h LEU 291 Cb 1.17 -0.10 -0.27 0.00 0.09 0.00 0.00 40.66 41.56 3k1b h LEU 291 CO 0.60 1.16 -0.36 -0.69 0.09 0.00 0.00 178.44 179.24 3k1b s VAL 292 N -2.95 -0.71 -0.11 1.22 1.01 -1.08 -4.92 120.40 112.85 3k1b s VAL 292 Ca -0.03 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 3k1b s VAL 292 Cb 0.09 -0.77 0.04 0.00 0.00 0.00 0.00 36.38 35.73 3k1b s VAL 292 CO 0.85 0.01 0.00 0.21 0.00 0.00 0.00 175.10 176.17 3k1b s ASN 293 N 2.65 2.07 0.10 3.32 3.84 -1.23 0.55 114.94 126.24 3k1b s ASN 293 Ca 0.03 -0.34 -0.19 0.00 0.21 0.00 0.00 52.86 52.57 3k1b s ASN 293 Cb -0.13 -0.54 0.04 0.00 -0.55 0.00 0.00 41.25 40.07 3k1b s ASN 293 CO -0.15 -0.22 0.46 -0.72 -2.79 0.00 0.00 177.10 173.68 3k1b s TYR 294 N 1.90 -0.32 0.07 0.43 -0.85 0.14 -1.26 117.35 117.47 3k1b s TYR 294 Ca 0.03 0.15 0.04 0.00 -0.52 0.00 0.00 57.07 56.77 3k1b s TYR 294 Cb -0.14 0.32 -0.04 0.00 0.38 0.00 0.00 41.96 42.48 3k1b s TYR 294 CO -0.06 -0.69 0.03 -0.06 -1.52 0.00 0.00 175.55 173.25 3k1b s PHE 295 N -3.24 3.08 -0.10 -3.49 0.40 -0.93 -1.52 117.98 112.19 3k1b s PHE 295 Ca -0.01 0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 3k1b s PHE 295 Cb 0.00 -1.59 0.02 0.00 0.51 0.00 0.00 43.02 41.96 3k1b s PHE 295 CO -0.08 0.50 -0.09 -2.00 0.70 0.00 0.00 175.22 174.24 3k1b s GLU 296 N -2.23 1.60 0.09 0.44 -6.30 0.22 -0.70 118.70 111.82 3k1b s GLU 296 Ca 0.26 -0.32 0.04 0.00 -2.50 0.00 0.00 54.97 52.46 3k1b s GLU 296 Cb -0.12 -1.54 -0.04 0.00 0.00 0.00 0.00 34.13 32.43 3k1b s GLU 296 CO 0.19 -0.17 0.02 0.08 0.02 0.00 0.00 175.26 175.39 3k1b s VAL 297 N 1.35 4.13 0.00 3.70 1.01 -1.01 -0.55 120.40 129.02 3k1b s VAL 297 Ca -0.02 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3k1b s VAL 297 Cb -0.14 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3k1b s VAL 297 CO -0.04 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.80 3k1b n GLY 298 N 0.57 3.21 3.09 4.51 0.00 -1.02 -1.85 105.19 113.71 3k1b n GLY 298 Ca -0.10 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.00 0.40 0.20 4.61 0.00 -1.05 -0.71 121.76 123.21 3k1b s ALA 299 Ca 0.00 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 50.95 3k1b s ALA 299 Cb 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 3k1b s ALA 299 CO 0.00 -0.36 -0.02 0.99 0.00 0.00 0.00 175.76 176.36 3k1b s THR 300 N -3.67 3.53 -0.09 0.00 2.01 -0.50 -2.64 115.64 114.27 3k1b s THR 300 Ca 0.05 -1.59 -0.03 0.00 0.31 0.00 0.00 61.69 60.42 3k1b s THR 300 Cb 0.06 -2.80 0.05 0.00 0.01 0.00 0.00 72.50 69.82 3k1b s THR 300 CO -0.09 -0.17 0.11 -0.47 -0.69 0.00 0.00 174.62 173.31 3k1b s TYR 301 N -1.86 -0.01 -0.97 4.92 6.04 0.54 -1.60 117.35 124.40 3k1b s TYR 301 Ca 0.28 0.24 -0.01 0.00 0.04 0.00 0.00 57.07 57.62 3k1b s TYR 301 Cb -0.08 -0.45 0.32 0.00 -1.04 0.00 0.00 41.96 40.70 3k1b s TYR 301 CO 0.18 -0.32 1.63 0.66 -1.54 0.00 0.00 175.55 176.17 3k1b n TYR 302 N 5.30 2.85 0.00 4.97 4.01 0.14 -1.79 117.16 132.65 3k1b n TYR 302 Ca -0.05 -2.78 0.00 0.00 -0.16 0.00 0.00 57.90 54.91 3k1b n TYR 302 Cb 0.50 -1.10 0.00 0.00 -0.31 0.00 0.00 39.34 38.42 3k1b n TYR 302 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3k1b n PHE 303 N 0.19 0.00 -1.58 -0.72 3.72 -1.26 -4.68 117.46 113.13 3k1b n PHE 303 Ca 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.81 3k1b n PHE 303 Cb 0.29 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 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 -1.64 0.00 0.17 4.37 0.23 -1.20 -4.93 115.26 112.26 3k1b n ASN 304 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.17 3k1b n ASN 304 Cb 0.00 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 38.33 3k1b n ASN 304 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 3k1b h LYS 305 N 0.00 0.00 0.00 -3.83 2.10 -1.99 -3.25 116.57 109.60 3k1b h LYS 305 Ca 0.00 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.47 3k1b h LYS 305 Cb 0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 3k1b h LYS 305 CO 0.00 0.00 -1.45 0.09 -2.00 0.00 0.00 179.45 176.09 3k1b n ASN 306 N -2.31 1.37 -4.94 7.07 5.03 -1.26 -4.96 115.26 115.26 3k1b n ASN 306 Ca -0.02 0.23 -0.25 0.00 0.87 0.00 0.00 54.58 55.42 3k1b n ASN 306 Cb 0.04 -0.54 0.06 0.00 -1.02 0.00 0.00 39.78 38.32 3k1b n ASN 306 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3k1b s MET 307 N -2.41 2.28 -0.01 3.52 1.75 -1.23 -2.46 119.30 120.75 3k1b s MET 307 Ca -0.22 -0.39 -0.30 0.00 -1.25 0.00 0.00 55.69 53.53 3k1b s MET 307 Cb 0.07 -2.25 0.11 0.00 2.84 0.00 0.00 34.83 35.60 3k1b s MET 307 CO 0.29 -1.10 1.27 -1.54 -0.65 0.00 0.00 175.02 173.29 3k1b s SER 308 N -4.49 -0.05 0.22 1.11 1.04 -1.02 -3.22 113.70 107.30 3k1b s SER 308 Ca 0.59 -0.17 -0.21 0.00 0.48 0.00 0.00 55.95 56.64 3k1b s SER 308 Cb -0.11 0.18 0.07 0.00 0.10 0.00 0.00 66.02 66.26 3k1b s SER 308 CO 0.43 -0.33 0.98 0.42 0.98 0.00 0.00 173.24 175.72 3k1b s THR 309 N -2.37 0.00 0.00 2.02 -4.23 -0.74 -2.63 115.64 107.69 3k1b s THR 309 Ca 0.17 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 3k1b s THR 309 Cb 0.04 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.11 3k1b s THR 309 CO -0.03 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.05 3k1b n TYR 310 N -0.64 0.00 -3.61 3.99 0.18 -0.37 -0.34 117.16 116.37 3k1b n TYR 310 Ca -0.04 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.50 3k1b n TYR 310 Cb 0.60 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.39 3k1b n TYR 310 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3k1b s VAL 311 N -2.00 -0.14 0.06 -3.48 1.01 -1.08 0.10 120.40 114.87 3k1b s VAL 311 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.03 3k1b s VAL 311 Cb 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 3k1b s VAL 311 CO 0.00 -0.16 -0.13 -0.62 0.00 0.00 0.00 175.10 174.18 3k1b s ASP 312 N 2.18 4.16 -0.10 3.32 2.15 -0.63 -2.54 116.67 125.20 3k1b s ASP 312 Ca 0.03 -0.38 -0.04 0.00 0.43 0.00 0.00 52.55 52.59 3k1b s ASP 312 Cb -0.15 -0.76 0.05 0.00 -0.30 0.00 0.00 42.92 41.76 3k1b s ASP 312 CO -0.08 0.23 0.22 -0.47 -0.17 0.00 0.00 175.17 174.89 3k1b s TYR 313 N -1.06 -0.30 -0.17 -5.34 5.04 -0.77 0.64 117.35 115.39 3k1b s TYR 313 Ca 0.18 0.76 -0.01 0.00 -2.44 0.00 0.00 57.07 55.56 3k1b s TYR 313 Cb -0.11 -0.07 -0.01 0.00 0.35 0.00 0.00 41.96 42.13 3k1b s TYR 313 CO 0.09 -0.27 -0.11 0.42 -1.34 0.00 0.00 175.55 174.34 3k1b s ILE 314 N 1.84 3.01 -0.53 3.14 -1.09 0.28 -2.40 121.20 125.46 3k1b s ILE 314 Ca -0.03 -0.65 -0.18 0.00 -2.23 0.00 0.00 60.65 57.56 3k1b s ILE 314 Cb -0.11 -2.30 0.09 0.00 -1.58 0.00 0.00 42.46 38.55 3k1b s ILE 314 CO -0.08 0.49 0.57 -0.63 -1.23 0.00 0.00 174.94 174.07 3k1b s ILE 315 N 0.87 5.00 -0.23 2.92 1.01 0.13 -2.68 121.20 128.21 3k1b s ILE 315 Ca -0.03 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 59.37 3k1b s ILE 315 Cb -0.15 -4.32 -0.00 0.00 0.01 0.00 0.00 42.46 37.99 3k1b s ILE 315 CO 0.00 -0.86 1.23 0.21 0.00 0.00 0.00 174.94 175.52 3k1b s ASN 316 N 3.11 6.87 0.26 3.58 3.84 -1.26 -2.20 114.94 129.14 3k1b s ASN 316 Ca 0.09 1.43 0.25 0.00 0.21 0.00 0.00 52.86 54.85 3k1b s ASN 316 Cb -0.24 -2.54 0.65 0.00 -0.55 0.00 0.00 41.25 38.58 3k1b s ASN 316 CO 0.07 -0.87 1.69 1.56 -2.79 0.00 0.00 177.10 176.77 3k1b h GLN 317 N 8.47 0.00 -7.16 0.43 7.50 -1.48 -3.47 115.11 119.40 3k1b h GLN 317 Ca -0.25 0.00 -0.43 0.00 0.50 0.00 0.00 58.65 58.47 3k1b h GLN 317 Cb 1.09 0.00 0.21 0.00 0.05 0.00 0.00 27.48 28.83 3k1b h GLN 317 CO 1.00 0.00 0.01 0.42 -1.50 0.00 0.00 178.83 178.76 3k1b s ILE 318 N -3.14 1.98 0.28 2.54 -1.09 -1.15 -4.87 121.20 115.75 3k1b s ILE 318 Ca 0.09 0.00 0.06 0.00 -2.23 0.00 0.00 60.65 58.57 3k1b s ILE 318 Cb 0.11 -2.11 -0.02 0.00 -1.58 0.00 0.00 42.46 38.86 3k1b s ILE 318 CO 0.63 0.00 0.26 -0.90 -1.23 0.00 0.00 174.94 173.70 3k1b n ASP 319 N -4.92 -0.67 0.25 3.58 5.75 -1.26 -4.79 116.55 114.48 3k1b n ASP 319 Ca 0.03 -2.82 0.10 0.00 -0.01 0.00 0.00 54.79 52.08 3k1b n ASP 319 Cb 0.55 1.51 0.64 0.00 -1.03 0.00 0.00 41.12 42.79 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 1.72 0.00 -0.83 -1.12 0.02 -1.93 -3.11 113.55 108.30 3k1b h SER 320 Ca -0.20 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.26 3k1b h SER 320 Cb 1.01 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.29 3k1b h SER 320 CO 0.29 0.15 0.44 0.47 -1.14 0.00 0.00 176.83 177.04 3k1b n ASP 321 N -3.92 4.51 -4.73 3.07 8.00 -1.26 -4.92 116.55 117.30 3k1b n ASP 321 Ca -0.02 -3.71 -0.38 0.00 0.71 0.00 0.00 54.79 51.39 3k1b n ASP 321 Cb 0.24 -0.79 -0.06 0.00 -0.02 0.00 0.00 41.12 40.49 3k1b n ASP 321 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3k1b s ASN 322 N -1.88 6.68 0.41 -2.24 3.84 -1.18 -4.99 114.94 115.59 3k1b s ASN 322 Ca 0.56 0.81 0.15 0.00 0.21 0.00 0.00 52.86 54.59 3k1b s ASN 322 Cb 0.47 -2.28 0.88 0.00 -0.55 0.00 0.00 41.25 39.77 3k1b s ASN 322 CO 0.05 0.02 1.91 0.11 -2.79 0.00 0.00 177.10 176.40 3k1b h LYS 323 N 6.60 0.00 0.00 0.43 1.79 -1.91 0.43 116.57 123.90 3k1b h LYS 323 Ca -0.42 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 57.78 3k1b h LYS 323 Cb 1.18 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.78 3k1b h LYS 323 CO 0.75 0.28 -1.70 1.28 -1.08 0.00 0.00 179.45 178.98 3k1b n LEU 324 N -4.14 0.81 -0.19 2.94 4.77 -1.26 -4.90 117.00 115.03 3k1b n LEU 324 Ca -0.02 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 3k1b n LEU 324 Cb 0.33 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3k1b n LEU 324 CO 0.37 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 3k1b n GLY 325 N 1.53 0.90 3.74 -0.72 0.00 0.14 -2.99 105.19 107.80 3k1b n GLY 325 Ca -0.16 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.21 2.42 0.05 1.61 1.01 -1.26 -4.89 120.40 117.13 3k1b s VAL 326 Ca 0.00 0.35 -0.37 0.00 0.00 0.00 0.00 61.98 61.96 3k1b s VAL 326 Cb 0.00 -3.22 -0.16 0.00 0.00 0.00 0.00 36.38 33.00 3k1b s VAL 326 CO 0.00 0.05 1.41 0.61 0.00 0.00 0.00 175.10 177.17 3k1b n GLY 327 N 2.52 0.58 0.01 4.51 0.00 -1.26 -4.74 105.19 106.81 3k1b n GLY 327 Ca 0.09 0.73 0.14 0.00 0.00 0.00 0.00 46.02 46.98 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 2.97 0.03 -4.88 1.61 3.41 -1.08 -4.51 113.62 111.18 3k1b n SER 328 Ca 0.19 0.05 -0.36 0.00 -0.26 0.00 0.00 58.87 58.50 3k1b n SER 328 Cb 0.19 -0.34 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 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 -2.72 6.53 0.55 4.04 1.01 -1.10 -4.63 116.67 120.34 3k1b s ASP 329 Ca 0.23 0.61 -0.17 0.00 0.71 0.00 0.00 52.55 53.94 3k1b s ASP 329 Cb 0.20 -2.11 -0.06 0.00 1.01 0.00 0.00 42.92 41.96 3k1b s ASP 329 CO 0.49 0.29 1.03 -1.81 0.21 0.00 0.00 175.17 175.38 3k1b s ASP 330 N -1.48 6.15 -0.03 0.27 1.11 -1.26 -3.45 116.67 117.98 3k1b s ASP 330 Ca 0.25 1.76 -0.04 0.00 0.18 0.00 0.00 52.55 54.70 3k1b s ASP 330 Cb -0.13 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 41.33 3k1b s ASP 330 CO 0.13 -0.91 0.10 -0.89 1.18 0.00 0.00 175.17 174.78 3k1b s THR 331 N -2.42 0.02 -0.10 -1.27 2.01 -1.09 -4.18 115.64 108.61 3k1b s THR 331 Ca 0.63 -0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.46 3k1b s THR 331 Cb -0.14 -0.19 0.04 0.00 0.01 0.00 0.00 72.50 72.23 3k1b s THR 331 CO 0.32 -0.08 0.07 0.54 -0.69 0.00 0.00 174.62 174.79 3k1b s VAL 332 N -0.20 -0.10 0.01 3.82 0.11 0.17 -0.55 120.40 123.64 3k1b s VAL 332 Ca -0.03 0.17 -0.08 0.00 -2.93 0.00 0.00 61.98 59.12 3k1b s VAL 332 Cb -0.02 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 3k1b s VAL 332 CO 0.00 -0.02 0.29 0.00 -3.33 0.00 0.00 175.10 172.05 3k1b s ALA 333 N 2.16 3.81 -0.13 1.54 0.00 0.21 -1.44 121.76 127.92 3k1b s ALA 333 Ca 0.04 -0.51 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 3k1b s ALA 333 Cb -0.14 -2.13 0.04 0.00 0.00 0.00 0.00 23.12 20.90 3k1b s ALA 333 CO -0.06 0.61 0.01 0.08 0.00 0.00 0.00 175.76 176.41 3k1b s VAL 334 N -1.27 0.45 -0.08 0.00 1.01 0.00 -1.61 120.40 118.91 3k1b s VAL 334 Ca 0.27 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3k1b s VAL 334 Cb -0.14 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 3k1b s VAL 334 CO 0.15 0.05 -0.14 -0.83 0.00 0.00 0.00 175.10 174.33 3k1b s GLY 335 N 1.92 1.52 0.07 4.51 0.00 0.11 -2.99 107.32 112.47 3k1b s GLY 335 Ca 0.02 -0.95 0.08 0.00 0.00 0.00 0.00 44.72 43.88 3k1b s GLY 335 CO -0.07 -0.57 -0.22 -1.50 0.00 0.00 0.00 173.10 170.74 3k1b s ILE 336 N -0.34 1.83 -0.27 0.90 2.07 0.78 -1.24 121.20 124.93 3k1b s ILE 336 Ca 0.03 -1.41 0.00 0.00 -1.41 0.00 0.00 60.65 57.87 3k1b s ILE 336 Cb -0.13 -1.62 0.16 0.00 0.13 0.00 0.00 42.46 41.01 3k1b s ILE 336 CO 0.02 0.14 0.44 -0.69 -1.91 0.00 0.00 174.94 172.94 3k1b s VAL 337 N -0.94 -0.70 1.17 4.00 1.01 -1.08 0.19 120.40 124.04 3k1b s VAL 337 Ca 0.09 -0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.73 3k1b s VAL 337 Cb -0.09 -0.92 0.28 0.00 0.00 0.00 0.00 36.38 35.64 3k1b s VAL 337 CO 0.03 -0.16 1.18 -0.47 0.00 0.00 0.00 175.10 175.68 3k1b s TYR 338 N 2.61 0.54 0.00 5.22 5.04 -1.00 -2.42 117.35 127.34 3k1b s TYR 338 Ca 0.12 0.37 0.00 0.00 -2.44 0.00 0.00 57.07 55.12 3k1b s TYR 338 Cb -0.14 -3.69 0.00 0.00 0.35 0.00 0.00 41.96 38.48 3k1b s TYR 338 CO -0.23 -3.69 0.00 0.00 -1.34 0.00 0.00 175.55 170.29 3k1b n GLN 339 N -4.57 0.00 0.00 4.97 10.64 -1.03 -3.69 117.38 123.71 3k1b n GLN 339 Ca 0.15 0.00 0.15 0.00 -1.83 0.00 0.00 57.00 55.47 3k1b n GLN 339 Cb 0.60 0.00 0.73 0.00 -0.86 0.00 0.00 30.24 30.71 3k1b n GLN 339 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20