#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 4.39 -0.03 0.00 2.12 -1.26 -2.63 118.70 121.28 3k1b s GLU 2 Ca 0.00 1.77 0.21 0.00 0.36 0.00 0.00 54.97 57.32 3k1b s GLU 2 Cb 0.00 -3.44 -0.33 0.00 0.26 0.00 0.00 34.13 30.62 3k1b s GLU 2 CO 0.00 -0.36 0.46 0.44 -0.54 0.00 0.00 175.26 175.26 3k1b n ILE 3 N 4.23 0.04 -4.26 -3.70 -5.35 -1.03 -4.91 119.36 104.38 3k1b n ILE 3 Ca 0.10 -0.50 -0.17 0.00 -0.27 0.00 0.00 62.75 61.91 3k1b n ILE 3 Cb 0.46 -0.00 -0.14 0.00 -1.74 0.00 0.00 39.64 38.22 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 -3.45 0.68 -0.29 4.28 5.04 -1.12 -5.02 117.35 117.46 3k1b s TYR 4 Ca -0.08 -0.17 -0.02 0.00 -2.44 0.00 0.00 57.07 54.36 3k1b s TYR 4 Cb 0.13 -0.43 0.19 0.00 0.35 0.00 0.00 41.96 42.20 3k1b s TYR 4 CO 0.88 -0.01 0.77 1.21 -1.34 0.00 0.00 175.55 177.06 3k1b s ASN 5 N -0.34 -1.12 0.00 4.32 3.84 -1.26 -2.18 114.94 118.19 3k1b s ASN 5 Ca 0.02 0.26 -0.02 0.00 0.21 0.00 0.00 52.86 53.33 3k1b s ASN 5 Cb -0.04 1.76 -0.01 0.00 -0.55 0.00 0.00 41.25 42.42 3k1b s ASN 5 CO -0.00 -0.21 0.02 -0.54 -2.79 0.00 0.00 177.10 173.59 3k1b s LYS 6 N 2.88 0.23 -0.24 0.43 1.02 -1.17 -5.03 119.74 117.87 3k1b s LYS 6 Ca 0.16 -0.31 -0.01 0.00 0.02 0.00 0.00 55.97 55.83 3k1b s LYS 6 Cb -0.08 0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.32 3k1b s LYS 6 CO -0.23 -0.04 0.21 -0.25 -0.92 0.00 0.00 175.35 174.12 3k1b n ASP 7 N 2.16 -2.26 0.00 2.83 8.00 -1.26 -2.37 116.55 123.65 3k1b n ASP 7 Ca -0.19 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.19 3k1b n ASP 7 Cb 0.57 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 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 -0.96 1.47 3.66 0.44 0.00 -1.26 -4.92 105.19 103.62 3k1b n GLY 8 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3k1b n GLY 8 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k1b s ASN 9 N 0.00 6.99 -0.08 1.61 2.47 -1.00 -2.93 114.94 122.01 3k1b s ASN 9 Ca 0.00 1.24 0.05 0.00 0.42 0.00 0.00 52.86 54.57 3k1b s ASN 9 Cb 0.00 -2.49 -0.01 0.00 -1.45 0.00 0.00 41.25 37.30 3k1b s ASN 9 CO 0.00 -0.58 -0.24 -1.59 -3.72 0.00 0.00 177.10 170.97 3k1b s LYS 10 N 2.93 2.83 0.24 0.43 -2.85 -1.22 -3.05 119.74 119.05 3k1b s LYS 10 Ca 0.40 -0.88 0.11 0.00 -1.00 0.00 0.00 55.97 54.60 3k1b s LYS 10 Cb -0.15 -2.26 -0.05 0.00 -2.06 0.00 0.00 37.83 33.31 3k1b s LYS 10 CO 0.08 0.28 -0.20 0.08 0.10 0.00 0.00 175.35 175.69 3k1b s VAL 11 N 0.09 2.28 -0.30 1.79 1.01 -0.93 -2.42 120.40 121.93 3k1b s VAL 11 Ca -0.11 -2.23 -0.01 0.00 0.00 0.00 0.00 61.98 59.63 3k1b s VAL 11 Cb -0.16 -2.17 0.10 0.00 0.00 0.00 0.00 36.38 34.15 3k1b s VAL 11 CO 0.06 -0.34 0.09 -0.62 0.00 0.00 0.00 175.10 174.29 3k1b s ASP 12 N -3.17 3.99 -0.03 3.32 -1.08 0.26 -2.47 116.67 117.48 3k1b s ASP 12 Ca 0.25 -1.59 -0.27 0.00 -0.52 0.00 0.00 52.55 50.41 3k1b s ASP 12 Cb -0.05 -0.88 -0.03 0.00 -1.46 0.00 0.00 42.92 40.50 3k1b s ASP 12 CO 0.12 -0.40 0.86 -0.22 0.52 0.00 0.00 175.17 176.05 3k1b s LEU 13 N 1.60 4.34 -0.03 -1.34 2.96 -1.08 -1.66 118.68 123.47 3k1b s LEU 13 Ca 0.09 1.45 -0.20 0.00 -0.22 0.00 0.00 54.13 55.25 3k1b s LEU 13 Cb -0.17 -3.36 0.04 0.00 0.50 0.00 0.00 46.19 43.20 3k1b s LEU 13 CO -0.23 -0.21 0.44 -0.72 -1.32 0.00 0.00 176.35 174.31 3k1b s TYR 14 N 0.97 -0.35 0.00 5.38 -0.85 -0.50 -1.48 117.35 120.52 3k1b s TYR 14 Ca 0.46 0.60 0.00 0.00 -0.52 0.00 0.00 57.07 57.60 3k1b s TYR 14 Cb -0.19 0.20 0.00 0.00 0.38 0.00 0.00 41.96 42.35 3k1b s TYR 14 CO 0.23 -0.45 0.00 0.41 -1.52 0.00 0.00 175.55 174.22 3k1b n GLY 15 N 1.23 1.90 0.05 5.49 0.00 -0.95 -0.77 105.19 112.15 3k1b n GLY 15 Ca -0.20 -0.80 -0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 0.01 -3.36 1.61 2.85 -1.20 -2.48 118.16 115.59 3k1b n LYS 16 Ca 0.00 -0.04 -0.16 0.00 -1.05 0.00 0.00 58.31 57.06 3k1b n LYS 16 Cb 0.00 0.04 -0.08 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 -1.54 -0.53 -0.42 0.58 0.00 -0.40 -3.60 121.76 115.84 3k1b s ALA 17 Ca 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 3k1b s ALA 17 Cb -0.00 -2.04 0.03 0.00 0.00 0.00 0.00 23.12 21.11 3k1b s ALA 17 CO 0.00 -2.06 0.32 0.08 0.00 0.00 0.00 175.76 174.10 3k1b s VAL 18 N 1.62 5.25 -0.48 0.00 1.01 -0.76 -2.90 120.40 124.14 3k1b s VAL 18 Ca 0.15 -0.71 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 3k1b s VAL 18 Cb -0.15 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.30 3k1b s VAL 18 CO -0.09 -0.36 0.71 -0.83 0.00 0.00 0.00 175.10 174.54 3k1b s GLY 19 N 1.84 1.66 0.27 4.51 0.00 -0.69 -1.49 107.32 113.41 3k1b s GLY 19 Ca 0.05 -1.34 0.12 0.00 0.00 0.00 0.00 44.72 43.55 3k1b s GLY 19 CO 0.10 1.65 -0.19 -2.27 0.00 0.00 0.00 173.10 172.38 3k1b s LEU 20 N 3.05 2.62 -0.11 0.66 2.96 -1.26 -1.78 118.68 124.81 3k1b s LEU 20 Ca 0.23 -0.98 -0.08 0.00 -0.22 0.00 0.00 54.13 53.08 3k1b s LEU 20 Cb -0.15 -1.16 0.04 0.00 0.50 0.00 0.00 46.19 45.42 3k1b s LEU 20 CO 0.18 0.05 0.27 -2.28 -1.32 0.00 0.00 176.35 173.25 3k1b s HIS 21 N -2.37 -0.33 0.03 5.38 2.46 -1.21 -2.22 115.29 117.02 3k1b s HIS 21 Ca 0.29 0.79 -0.00 0.00 0.47 0.00 0.00 55.06 56.61 3k1b s HIS 21 Cb -0.06 0.10 -0.04 0.00 -0.13 0.00 0.00 32.58 32.45 3k1b s HIS 21 CO 0.15 -0.19 0.15 0.71 -2.47 0.00 0.00 174.74 173.08 3k1b s TYR 22 N 0.63 3.41 -0.12 3.88 1.51 0.70 -3.01 117.35 124.35 3k1b s TYR 22 Ca -0.04 0.23 -0.00 0.00 -1.01 0.00 0.00 57.07 56.25 3k1b s TYR 22 Cb -0.05 -1.75 0.02 0.00 -0.11 0.00 0.00 41.96 40.07 3k1b s TYR 22 CO -0.04 0.58 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.83 3k1b s PHE 23 N -1.36 1.63 -0.14 2.71 0.40 0.50 -0.70 117.98 121.02 3k1b s PHE 23 Ca 0.29 -0.83 -0.15 0.00 -0.60 0.00 0.00 56.93 55.64 3k1b s PHE 23 Cb -0.12 -1.30 0.04 0.00 0.51 0.00 0.00 43.02 42.14 3k1b s PHE 23 CO 0.21 -0.54 0.41 -1.12 0.70 0.00 0.00 175.22 174.88 3k1b s SER 24 N 1.62 -0.41 -0.41 1.36 0.01 -1.26 0.32 113.70 114.93 3k1b s SER 24 Ca 0.04 0.74 -0.41 0.00 1.31 0.00 0.00 55.95 57.63 3k1b s SER 24 Cb -0.13 0.77 -0.16 0.00 0.21 0.00 0.00 66.02 66.71 3k1b s SER 24 CO -0.08 -0.19 1.98 1.17 0.41 0.00 0.00 173.24 176.53 3k1b n LYS 25 N 2.63 0.53 0.00 12.44 4.81 -1.26 -3.31 118.16 134.00 3k1b n LYS 25 Ca -0.14 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3k1b n LYS 25 Cb 0.57 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.74 3k1b n LYS 25 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k1b n GLY 26 N 5.99 3.15 0.00 3.14 0.00 -1.26 -2.74 105.19 113.47 3k1b n GLY 26 Ca 0.41 0.22 0.05 0.00 0.00 0.00 0.00 46.02 46.70 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 10.10 0.00 0.00 1.61 5.15 -1.26 -4.88 115.26 125.98 3k1b n ASN 27 Ca 0.00 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 52.97 3k1b n ASN 27 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 0.26 0.27 0.01 8.20 0.00 -1.11 -4.75 105.19 108.07 3k1b n GLY 28 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.00 0.05 -0.07 1.61 2.13 -1.26 -3.12 120.64 117.98 3k1b n GLU 29 Ca 0.00 0.02 0.09 0.00 0.66 0.00 0.00 57.16 57.93 3k1b n GLU 29 Cb 0.00 -1.54 0.13 0.00 0.27 0.00 0.00 31.44 30.30 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 -1.61 2.31 -3.61 4.31 2.85 -1.26 -4.77 115.26 113.47 3k1b n ASN 30 Ca 0.05 -3.01 -0.14 0.00 -0.11 0.00 0.00 54.58 51.37 3k1b n ASN 30 Cb 0.35 -0.40 0.07 0.00 1.24 0.00 0.00 39.78 41.04 3k1b n ASN 30 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3k1b n SER 31 N -1.37 0.91 0.05 1.20 3.41 -1.18 -0.29 113.62 116.34 3k1b n SER 31 Ca 0.15 -1.74 -0.21 0.00 -0.26 0.00 0.00 58.87 56.80 3k1b n SER 31 Cb 0.62 -0.38 -0.14 0.00 -0.26 0.00 0.00 64.21 64.04 3k1b n SER 31 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3k1b h TYR 32 N -0.42 0.57 0.00 7.33 3.20 -1.67 -3.38 116.97 122.60 3k1b h TYR 32 Ca -0.20 -0.41 -0.14 0.00 3.14 0.00 0.00 58.73 61.11 3k1b h TYR 32 Cb 0.76 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.98 3k1b h TYR 32 CO 0.00 1.45 -1.89 0.41 -1.64 0.00 0.00 178.16 176.49 3k1b n GLY 33 N 1.71 -0.74 0.00 1.82 0.00 -1.26 -4.99 105.19 101.72 3k1b n GLY 33 Ca -0.19 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 1.83 0.41 0.00 -0.02 0.00 -1.25 -5.08 105.19 101.08 3k1b n GLY 34 Ca -0.14 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.82 3k1b n GLY 34 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3k1b n ASN 35 N 0.00 0.00 0.00 1.61 2.85 -1.26 -4.01 115.26 114.45 3k1b n ASN 35 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3k1b n ASN 35 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3k1b n ASN 35 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3k1b n GLY 36 N -0.23 0.63 3.89 8.20 0.00 0.13 -4.85 105.19 112.95 3k1b n GLY 36 Ca 0.00 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 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 6.48 0.00 1.61 2.15 -1.26 -0.22 116.67 121.44 3k1b s ASP 37 Ca 0.00 0.89 0.00 0.00 0.43 0.00 0.00 52.55 53.87 3k1b s ASP 37 Cb 0.00 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 3k1b s ASP 37 CO 0.00 -0.27 0.00 0.23 -0.17 0.00 0.00 175.17 174.96 3k1b n MET 38 N -1.05 0.26 0.00 4.34 2.81 -0.94 -4.83 117.12 117.71 3k1b n MET 38 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3k1b n MET 38 Cb 0.54 -0.02 0.00 0.00 -0.71 0.00 0.00 33.22 33.03 3k1b n MET 38 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3k1b n THR 39 N 0.00 0.00 -4.49 2.03 -1.04 -1.17 -4.70 114.28 104.91 3k1b n THR 39 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 3k1b n THR 39 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 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 2.11 0.27 -1.42 1.13 -0.55 -0.56 117.35 118.33 3k1b s TYR 40 Ca 0.00 -0.88 0.02 0.00 -1.41 0.00 0.00 57.07 54.80 3k1b s TYR 40 Cb 0.00 -1.41 -0.05 0.00 -1.10 0.00 0.00 41.96 39.40 3k1b s TYR 40 CO 0.00 0.13 0.11 0.00 -2.51 0.00 0.00 175.55 173.28 3k1b s ALA 41 N -3.14 1.82 0.04 9.51 0.00 -0.50 -1.83 121.76 127.67 3k1b s ALA 41 Ca 0.36 -1.83 0.07 0.00 0.00 0.00 0.00 51.96 50.56 3k1b s ALA 41 Cb 0.09 1.05 -0.02 0.00 0.00 0.00 0.00 23.12 24.24 3k1b s ALA 41 CO 0.16 -0.46 -0.19 1.03 0.00 0.00 0.00 175.76 176.30 3k1b s ARG 42 N -3.98 1.30 -0.03 0.00 1.81 -1.24 -1.57 118.95 115.24 3k1b s ARG 42 Ca 0.37 -0.87 -0.06 0.00 -1.72 0.00 0.00 55.73 53.45 3k1b s ARG 42 Cb 0.07 -1.38 0.01 0.00 -0.45 0.00 0.00 34.95 33.20 3k1b s ARG 42 CO 0.14 0.35 0.14 -1.17 -0.68 0.00 0.00 175.30 174.09 3k1b s LEU 43 N -1.10 1.51 0.07 2.53 2.96 -0.88 -3.23 118.68 120.53 3k1b s LEU 43 Ca 0.06 0.08 -0.26 0.00 -0.22 0.00 0.00 54.13 53.80 3k1b s LEU 43 Cb -0.08 0.56 0.09 0.00 0.50 0.00 0.00 46.19 47.25 3k1b s LEU 43 CO 0.01 -0.18 1.18 -0.83 -1.32 0.00 0.00 176.35 175.22 3k1b s GLY 44 N -0.52 -0.03 -0.26 7.98 0.00 0.05 -1.72 107.32 112.82 3k1b s GLY 44 Ca -0.06 -0.11 -0.16 0.00 0.00 0.00 0.00 44.72 44.38 3k1b s GLY 44 CO 0.01 4.23 0.65 -0.11 0.00 0.00 0.00 173.10 177.88 3k1b s PHE 45 N -2.08 -0.95 -0.12 1.90 -0.12 -0.75 -1.41 117.98 114.45 3k1b s PHE 45 Ca 0.26 1.96 -0.06 0.00 -0.05 0.00 0.00 56.93 59.05 3k1b s PHE 45 Cb -0.01 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 3k1b s PHE 45 CO 0.02 -0.47 0.10 0.15 -0.05 0.00 0.00 175.22 174.97 3k1b s LYS 46 N 1.38 3.41 0.02 1.99 1.02 -0.66 -1.34 119.74 125.55 3k1b s LYS 46 Ca -0.08 -0.21 0.00 0.00 0.02 0.00 0.00 55.97 55.70 3k1b s LYS 46 Cb -0.05 -3.11 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 3k1b s LYS 46 CO -0.15 0.70 -0.03 0.20 -0.92 0.00 0.00 175.35 175.15 3k1b s GLY 47 N -0.82 0.20 -0.30 -3.33 0.00 -0.28 0.90 107.32 103.69 3k1b s GLY 47 Ca 0.13 -0.46 -0.08 0.00 0.00 0.00 0.00 44.72 44.31 3k1b s GLY 47 CO 0.03 -0.51 0.95 1.85 0.00 0.00 0.00 173.10 175.42 3k1b s GLU 48 N -1.12 0.24 -0.08 2.90 2.12 -1.01 -1.62 118.70 120.12 3k1b s GLU 48 Ca -0.12 0.27 -0.22 0.00 0.36 0.00 0.00 54.97 55.26 3k1b s GLU 48 Cb -0.08 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.40 3k1b s GLU 48 CO -0.01 -0.41 0.64 -0.08 -0.54 0.00 0.00 175.26 174.86 3k1b s THR 49 N 2.93 5.09 -0.28 -1.70 -1.32 0.15 -3.40 115.64 117.10 3k1b s THR 49 Ca 0.20 1.30 -0.27 0.00 -1.21 0.00 0.00 61.69 61.71 3k1b s THR 49 Cb -0.05 -3.98 0.01 0.00 -1.51 0.00 0.00 72.50 66.97 3k1b s THR 49 CO -0.22 0.27 0.95 -1.10 -2.21 0.00 0.00 174.62 172.32 3k1b s GLN 50 N 0.76 4.10 0.02 7.08 -0.21 -1.15 0.91 119.66 131.17 3k1b s GLN 50 Ca 0.34 0.99 0.26 0.00 0.02 0.00 0.00 55.36 56.97 3k1b s GLN 50 Cb -0.17 -3.70 0.61 0.00 1.00 0.00 0.00 33.01 30.75 3k1b s GLN 50 CO 0.16 -0.72 1.49 0.44 -2.12 0.00 0.00 175.29 174.54 3k1b n ILE 51 N 5.56 0.07 -0.67 1.08 -5.35 -1.01 -4.68 119.36 114.35 3k1b n ILE 51 Ca 0.09 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 3k1b n ILE 51 Cb 0.47 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 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 -1.62 1.04 -0.06 7.28 0.23 -1.01 -4.90 115.26 116.23 3k1b n ASN 52 Ca 0.05 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 54.05 3k1b n ASN 52 Cb 0.36 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.02 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 0.00 -0.05 0.53 0.02 -2.02 -3.39 113.55 108.64 3k1b h SER 53 Ca 0.00 -0.27 -0.22 0.00 -0.84 0.00 0.00 61.79 60.46 3k1b h SER 53 Cb 0.00 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.56 3k1b h SER 53 CO 0.00 0.71 -0.84 0.44 -1.14 0.00 0.00 176.83 176.00 3k1b h ASP 54 N -1.00 0.83 -3.33 3.07 3.32 -1.95 -3.45 116.42 113.90 3k1b h ASP 54 Ca -0.02 -0.70 -0.56 0.00 0.02 0.00 0.00 57.03 55.76 3k1b h ASP 54 Cb 0.39 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 3k1b h ASP 54 CO -0.01 1.41 0.03 -0.22 -1.72 0.00 0.00 179.24 178.73 3k1b s LEU 55 N -8.29 4.43 -0.03 1.55 2.96 -1.26 -0.62 118.68 117.42 3k1b s LEU 55 Ca -0.11 1.24 0.01 0.00 -0.22 0.00 0.00 54.13 55.04 3k1b s LEU 55 Cb 0.07 -3.00 0.03 0.00 0.50 0.00 0.00 46.19 43.78 3k1b s LEU 55 CO 0.89 0.09 -0.01 -0.89 -1.32 0.00 0.00 176.35 175.11 3k1b s THR 56 N -0.20 0.25 -0.17 3.68 2.01 0.22 -2.40 115.64 119.02 3k1b s THR 56 Ca 0.33 0.05 -0.09 0.00 0.31 0.00 0.00 61.69 62.29 3k1b s THR 56 Cb -0.19 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 71.95 3k1b s THR 56 CO 0.19 0.16 0.12 -0.83 -0.69 0.00 0.00 174.62 173.57 3k1b s GLY 57 N 1.01 2.06 0.23 4.40 0.00 0.26 -0.98 107.32 114.30 3k1b s GLY 57 Ca -0.10 -0.68 0.05 0.00 0.00 0.00 0.00 44.72 43.99 3k1b s GLY 57 CO -0.01 -0.03 -0.05 -2.52 0.00 0.00 0.00 173.10 170.48 3k1b s TYR 58 N -0.06 1.65 0.13 1.90 -0.85 -0.41 0.29 117.35 120.00 3k1b s TYR 58 Ca 0.10 -0.79 -0.03 0.00 -0.52 0.00 0.00 57.07 55.82 3k1b s TYR 58 Cb -0.11 -0.92 -0.03 0.00 0.38 0.00 0.00 41.96 41.28 3k1b s TYR 58 CO 0.00 0.12 0.11 0.20 -1.52 0.00 0.00 175.55 174.45 3k1b s GLY 59 N -3.33 0.76 -0.14 5.49 0.00 -0.64 -2.25 107.32 107.22 3k1b s GLY 59 Ca 0.26 -1.26 -0.33 0.00 0.00 0.00 0.00 44.72 43.39 3k1b s GLY 59 CO 0.08 -1.20 1.14 1.62 0.00 0.00 0.00 173.10 174.74 3k1b s GLN 60 N -4.01 0.44 0.02 2.90 0.74 0.54 -1.13 119.66 119.16 3k1b s GLN 60 Ca 0.20 -0.17 -0.11 0.00 0.05 0.00 0.00 55.36 55.33 3k1b s GLN 60 Cb 0.06 0.20 0.01 0.00 1.10 0.00 0.00 33.01 34.38 3k1b s GLN 60 CO -0.01 -0.19 0.23 -0.46 -0.55 0.00 0.00 175.29 174.31 3k1b s TRP 61 N -2.59 -0.03 -0.30 1.67 -0.00 -0.45 -1.00 118.94 116.24 3k1b s TRP 61 Ca 0.09 -0.07 -0.12 0.00 -0.00 0.00 0.00 56.10 56.00 3k1b s TRP 61 Cb -0.01 0.02 0.15 0.00 -0.00 0.00 0.00 33.47 33.63 3k1b s TRP 61 CO -0.05 -0.40 0.80 -2.00 -0.00 0.00 0.00 176.95 175.29 3k1b s GLU 62 N -2.00 0.45 0.13 5.86 2.12 0.37 -1.81 118.70 123.82 3k1b s GLU 62 Ca -0.09 1.12 0.07 0.00 0.36 0.00 0.00 54.97 56.43 3k1b s GLU 62 Cb -0.03 0.67 -0.04 0.00 0.26 0.00 0.00 34.13 34.99 3k1b s GLU 62 CO -0.01 -0.17 -0.16 -0.47 -0.54 0.00 0.00 175.26 173.91 3k1b s TYR 63 N 2.71 1.55 -0.40 5.30 5.04 -0.70 0.52 117.35 131.37 3k1b s TYR 63 Ca -0.04 -0.51 0.02 0.00 -2.44 0.00 0.00 57.07 54.10 3k1b s TYR 63 Cb -0.10 -0.81 0.12 0.00 0.35 0.00 0.00 41.96 41.53 3k1b s TYR 63 CO -0.18 0.19 0.18 1.21 -1.34 0.00 0.00 175.55 175.61 3k1b s ASN 64 N -2.38 3.93 0.35 4.32 2.47 0.05 -2.07 114.94 121.62 3k1b s ASN 64 Ca 0.09 -2.33 -0.20 0.00 0.42 0.00 0.00 52.86 50.84 3k1b s ASN 64 Cb -0.06 -1.10 -0.10 0.00 -1.45 0.00 0.00 41.25 38.54 3k1b s ASN 64 CO 0.04 -0.32 0.86 -0.36 -3.72 0.00 0.00 177.10 173.61 3k1b s PHE 65 N 0.72 3.46 0.22 0.43 2.99 -0.61 -2.83 117.98 122.36 3k1b s PHE 65 Ca 0.15 1.52 0.07 0.00 0.00 0.00 0.00 56.93 58.67 3k1b s PHE 65 Cb -0.22 -2.76 -0.04 0.00 0.00 0.00 0.00 43.02 40.01 3k1b s PHE 65 CO -0.08 0.07 0.12 -0.65 -0.00 0.00 0.00 175.22 174.69 3k1b s GLN 66 N -2.71 2.73 0.00 0.44 -1.52 -1.26 -1.40 119.66 115.93 3k1b s GLN 66 Ca 0.55 -1.09 0.00 0.00 -1.95 0.00 0.00 55.36 52.87 3k1b s GLN 66 Cb -0.12 -2.48 0.00 0.00 -0.22 0.00 0.00 33.01 30.19 3k1b s GLN 66 CO 0.18 0.42 0.33 0.41 -0.25 0.00 0.00 175.29 176.38 3k1b n GLY 67 N -0.79 -0.32 1.08 3.09 0.00 0.28 -4.55 105.19 103.99 3k1b n GLY 67 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.03 2.70 -4.46 1.61 0.23 -1.20 -4.87 115.26 109.23 3k1b n ASN 68 Ca 0.00 -2.31 -0.31 0.00 -0.53 0.00 0.00 54.58 51.42 3k1b n ASN 68 Cb 0.14 -0.57 -0.13 0.00 -2.08 0.00 0.00 39.78 37.14 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 0.15 3.87 1.28 0.53 -0.87 -1.26 -5.02 114.94 113.62 3k1b s ASN 69 Ca 0.14 -0.34 -0.19 0.00 -1.57 0.00 0.00 52.86 50.89 3k1b s ASN 69 Cb 0.11 -0.70 0.30 0.00 -0.02 0.00 0.00 41.25 40.94 3k1b s ASN 69 CO 0.03 0.29 0.68 -1.54 -2.57 0.00 0.00 177.10 173.99 3k1b n SER 70 N 1.85 -3.71 -2.44 -1.22 3.41 -1.26 -4.94 113.62 105.31 3k1b n SER 70 Ca -0.16 -0.68 -0.32 0.00 -0.26 0.00 0.00 58.87 57.45 3k1b n SER 70 Cb 0.52 -0.90 0.04 0.00 -0.26 0.00 0.00 64.21 63.61 3k1b n SER 70 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k1b n GLU 71 N -4.14 3.09 0.00 4.33 1.02 -1.26 -4.30 120.64 119.38 3k1b n GLU 71 Ca 0.11 -3.83 0.00 0.00 -0.02 0.00 0.00 57.16 53.42 3k1b n GLU 71 Cb 0.48 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 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 -0.67 1.21 0.00 0.62 0.00 -1.26 -4.90 105.19 100.19 3k1b n GLY 72 Ca 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.15 0.81 4.61 0.00 -1.26 -3.48 120.51 118.04 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 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.17 0.97 0.04 0.00 5.75 -1.26 -4.31 116.55 116.56 3k1b n ASP 74 Ca 0.00 -1.63 0.03 0.00 -0.01 0.00 0.00 54.79 53.18 3k1b n ASP 74 Cb 0.00 -0.41 0.15 0.00 -1.03 0.00 0.00 41.12 39.83 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 0.14 1.07 -0.83 2.12 0.00 -1.23 -2.25 120.51 119.54 3k1b n ALA 75 Ca 0.00 0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.28 3k1b n ALA 75 Cb 0.22 -1.09 0.13 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.67 2.04 -4.50 0.00 1.13 -1.26 -4.95 117.38 108.17 3k1b n GLN 76 Ca -0.00 -2.42 -0.33 0.00 -1.94 0.00 0.00 57.00 52.31 3k1b n GLN 76 Cb 0.02 -1.95 -0.15 0.00 0.11 0.00 0.00 30.24 28.28 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 -2.80 2.94 0.00 5.09 2.01 -0.95 -4.22 115.64 117.70 3k1b s THR 77 Ca 0.46 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.78 3k1b s THR 77 Cb 0.38 -2.26 0.00 0.00 0.01 0.00 0.00 72.50 70.64 3k1b s THR 77 CO 0.07 0.50 0.00 0.61 -0.69 0.00 0.00 174.62 175.12 3k1b n GLY 78 N 3.98 0.63 3.71 4.40 0.00 -1.26 -4.77 105.19 111.89 3k1b n GLY 78 Ca -0.19 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.61 6.42 0.24 1.61 0.01 -1.26 -4.78 114.94 114.56 3k1b s ASN 79 Ca 0.00 0.48 0.04 0.00 -0.71 0.00 0.00 52.86 52.67 3k1b s ASN 79 Cb 0.00 -2.18 -0.02 0.00 0.41 0.00 0.00 41.25 39.46 3k1b s ASN 79 CO 0.00 0.07 0.24 2.29 -1.51 0.00 0.00 177.10 178.19 3k1b n LYS 80 N 3.76 0.34 -4.08 -0.60 0.00 -1.13 -4.99 118.16 111.45 3k1b n LYS 80 Ca -0.11 -2.32 -0.35 0.00 -0.00 0.00 0.00 58.31 55.52 3k1b n LYS 80 Cb 0.52 1.97 -0.09 0.00 -0.00 0.00 0.00 35.03 37.43 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 -2.92 4.80 -0.24 0.58 2.01 -1.26 -0.77 115.64 117.84 3k1b s THR 81 Ca 0.27 -0.04 -0.16 0.00 0.31 0.00 0.00 61.69 62.07 3k1b s THR 81 Cb 0.01 -3.11 -0.11 0.00 0.01 0.00 0.00 72.50 69.30 3k1b s THR 81 CO 0.19 0.53 -0.26 0.54 -0.69 0.00 0.00 174.62 174.93 3k1b n ARG 82 N 2.84 0.56 -5.13 4.92 3.00 0.19 -4.96 116.66 118.07 3k1b n ARG 82 Ca -0.18 0.31 -0.30 0.00 -0.01 0.00 0.00 57.85 57.68 3k1b n ARG 82 Cb 0.53 -1.53 -0.16 0.00 0.00 0.00 0.00 32.46 31.31 3k1b n ARG 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3k1b s LEU 83 N -7.70 2.08 -0.30 0.55 1.43 -0.42 -4.72 118.68 109.60 3k1b s LEU 83 Ca -0.34 -0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 52.21 3k1b s LEU 83 Cb 0.10 -1.25 0.16 0.00 0.03 0.00 0.00 46.19 45.23 3k1b s LEU 83 CO 0.47 0.28 0.69 0.00 0.23 0.00 0.00 176.35 178.03 3k1b s ALA 84 N -0.63 -2.28 0.27 4.21 0.00 -0.19 -0.48 121.76 122.66 3k1b s ALA 84 Ca 0.10 2.08 -0.20 0.00 0.00 0.00 0.00 51.96 53.94 3k1b s ALA 84 Cb -0.10 -1.99 0.06 0.00 0.00 0.00 0.00 23.12 21.09 3k1b s ALA 84 CO -0.00 -1.11 0.87 -0.59 0.00 0.00 0.00 175.76 174.93 3k1b s PHE 85 N 2.84 0.00 0.21 0.00 -0.12 -0.17 0.19 117.98 120.93 3k1b s PHE 85 Ca 0.04 -0.50 -0.22 0.00 -0.05 0.00 0.00 56.93 56.20 3k1b s PHE 85 Cb -0.12 0.74 0.06 0.00 -0.63 0.00 0.00 43.02 43.07 3k1b s PHE 85 CO -0.19 -1.21 0.92 0.00 -0.05 0.00 0.00 175.22 174.70 3k1b s ALA 86 N -2.77 -1.45 0.00 1.99 0.00 -0.52 -0.34 121.76 118.67 3k1b s ALA 86 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.95 3k1b s ALA 86 Cb -0.04 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.78 3k1b s ALA 86 CO 0.07 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.20 3k1b n GLY 87 N -0.53 -1.22 3.15 0.00 0.00 -0.95 -0.22 105.19 105.41 3k1b n GLY 87 Ca -0.05 -1.49 -0.18 0.00 0.00 0.00 0.00 46.02 44.30 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 2.25 0.19 0.99 1.43 0.12 -1.28 118.68 122.38 3k1b s LEU 88 Ca 0.00 -0.57 0.11 0.00 -1.03 0.00 0.00 54.13 52.64 3k1b s LEU 88 Cb 0.00 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.68 3k1b s LEU 88 CO 0.00 -0.06 -0.23 -0.54 0.23 0.00 0.00 176.35 175.75 3k1b s LYS 89 N -1.58 1.48 -0.25 1.70 1.02 -0.15 -1.01 119.74 120.96 3k1b s LYS 89 Ca -0.02 -1.52 -0.02 0.00 0.02 0.00 0.00 55.97 54.43 3k1b s LYS 89 Cb -0.09 -1.75 0.14 0.00 -0.52 0.00 0.00 37.83 35.61 3k1b s LYS 89 CO 0.02 0.37 0.41 -0.47 -0.92 0.00 0.00 175.35 174.76 3k1b s TYR 90 N -1.79 -0.94 0.00 3.18 5.04 0.19 -0.61 117.35 122.42 3k1b s TYR 90 Ca 0.20 0.95 0.00 0.00 -2.44 0.00 0.00 57.07 55.78 3k1b s TYR 90 Cb -0.07 0.09 0.00 0.00 0.35 0.00 0.00 41.96 42.33 3k1b s TYR 90 CO 0.10 -0.75 0.00 0.00 -1.34 0.00 0.00 175.55 173.56 3k1b n ALA 91 N 5.37 0.00 -1.01 3.97 0.00 0.21 -0.16 120.51 128.89 3k1b n ALA 91 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3k1b n ALA 91 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.22 0.00 0.00 0.00 8.00 -1.26 -4.49 116.55 118.58 3k1b n ASP 92 Ca 0.00 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.50 3k1b n ASP 92 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3k1b n ASP 92 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3k1b n VAL 93 N 0.00 0.00 0.00 2.53 0.31 0.78 -4.47 118.33 117.48 3k1b n VAL 93 Ca 0.00 1.31 0.00 0.00 -0.01 0.00 0.00 64.34 65.64 3k1b n VAL 93 Cb 0.43 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 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 -0.96 -0.69 3.61 2.92 0.00 -0.94 -4.75 105.19 104.39 3k1b n GLY 94 Ca 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 46.02 46.21 3k1b n GLY 94 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k1b s SER 95 N -4.00 -0.10 -0.28 1.61 0.15 -0.78 0.56 113.70 110.86 3k1b s SER 95 Ca 0.00 0.02 -0.27 0.00 0.70 0.00 0.00 55.95 56.39 3k1b s SER 95 Cb 0.00 0.10 0.18 0.00 -1.71 0.00 0.00 66.02 64.59 3k1b s SER 95 CO 0.00 -0.15 1.35 0.12 1.20 0.00 0.00 173.24 175.76 3k1b s PHE 96 N -2.08 -0.08 0.14 3.44 5.36 -0.18 -1.98 117.98 122.60 3k1b s PHE 96 Ca 0.10 0.17 -0.22 0.00 -0.96 0.00 0.00 56.93 56.01 3k1b s PHE 96 Cb -0.01 0.48 0.07 0.00 -0.34 0.00 0.00 43.02 43.22 3k1b s PHE 96 CO -0.04 -0.06 0.58 0.16 -1.46 0.00 0.00 175.22 174.39 3k1b s ASP 97 N -0.58 -0.53 0.05 6.13 1.47 -1.20 0.12 116.67 122.13 3k1b s ASP 97 Ca 0.07 -0.00 -0.01 0.00 1.18 0.00 0.00 52.55 53.79 3k1b s ASP 97 Cb -0.03 0.58 -0.04 0.00 -0.34 0.00 0.00 42.92 43.09 3k1b s ASP 97 CO -0.10 -0.93 -0.03 -0.47 0.68 0.00 0.00 175.17 174.32 3k1b s TYR 98 N -3.60 0.53 -3.74 2.11 5.04 0.69 -2.90 117.35 115.48 3k1b s TYR 98 Ca 0.01 -1.05 0.00 0.00 -2.44 0.00 0.00 57.07 53.59 3k1b s TYR 98 Cb -0.01 -0.39 0.00 0.00 0.35 0.00 0.00 41.96 41.92 3k1b s TYR 98 CO -0.12 -0.36 0.00 0.41 -1.34 0.00 0.00 175.55 174.14 3k1b n GLY 99 N 0.16 0.71 3.38 8.97 0.00 -1.24 -1.44 105.19 115.73 3k1b n GLY 99 Ca -0.14 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.50 2.96 0.18 1.61 3.52 0.49 -1.04 118.95 125.17 3k1b s ARG 100 Ca 0.00 -0.98 -0.00 0.00 -0.13 0.00 0.00 55.73 54.61 3k1b s ARG 100 Cb 0.00 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 3k1b s ARG 100 CO 0.00 -0.61 0.08 1.21 -0.81 0.00 0.00 175.30 175.17 3k1b s ASN 101 N 1.56 0.49 0.79 -2.12 3.84 -1.16 -1.02 114.94 117.32 3k1b s ASN 101 Ca 0.02 -1.30 -0.14 0.00 0.21 0.00 0.00 52.86 51.66 3k1b s ASN 101 Cb -0.19 0.28 0.06 0.00 -0.55 0.00 0.00 41.25 40.86 3k1b s ASN 101 CO 0.06 -0.75 1.13 -1.22 -2.79 0.00 0.00 177.10 173.53 3k1b n TYR 102 N -0.23 1.07 -2.79 0.43 4.01 -1.26 -2.75 117.16 115.63 3k1b n TYR 102 Ca -0.02 0.40 -0.21 0.00 -0.16 0.00 0.00 57.90 57.91 3k1b n TYR 102 Cb 0.65 -2.10 0.03 0.00 -0.31 0.00 0.00 39.34 37.61 3k1b n TYR 102 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3k1b s GLY 103 N -1.98 1.77 0.13 2.72 0.00 -0.91 -4.85 107.32 104.20 3k1b s GLY 103 Ca 0.73 -1.31 -0.27 0.00 0.00 0.00 0.00 44.72 43.87 3k1b s GLY 103 CO 0.51 -1.07 1.60 -0.39 0.00 0.00 0.00 173.10 173.74 3k1b h VAL 104 N 0.24 0.21 -0.58 1.40 -1.51 -1.90 -3.05 116.25 111.07 3k1b h VAL 104 Ca -0.43 0.00 0.12 0.00 -1.23 0.00 0.00 66.70 65.16 3k1b h VAL 104 Cb 1.28 0.21 -0.03 0.00 -2.13 0.00 0.00 31.29 30.62 3k1b h VAL 104 CO 0.52 0.00 0.39 0.58 -1.23 0.00 0.00 177.57 177.84 3k1b h VAL 105 N -0.45 0.83 -1.26 7.19 2.07 -1.67 0.28 116.25 123.24 3k1b h VAL 105 Ca 0.09 -0.09 0.37 0.00 0.82 0.00 0.00 66.70 67.88 3k1b h VAL 105 Cb 0.59 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 3k1b h VAL 105 CO -0.37 0.05 0.90 0.22 0.02 0.00 0.00 177.57 178.39 3k1b h TYR 106 N 0.26 0.05 0.00 1.57 3.20 -1.55 -1.91 116.97 118.59 3k1b h TYR 106 Ca 0.27 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 3k1b h TYR 106 Cb 0.72 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 3k1b h TYR 106 CO -0.00 -0.00 -0.02 -0.44 -1.64 0.00 0.00 178.16 176.05 3k1b h ASP 107 N 0.02 0.00 0.07 -2.11 3.32 -0.62 2.42 116.42 119.51 3k1b h ASP 107 Ca 0.61 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.39 3k1b h ASP 107 Cb 2.39 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.92 3k1b h ASP 107 CO -0.03 0.02 -1.47 0.00 -1.72 0.00 0.00 179.24 176.04 3k1b h ALA 108 N 1.98 0.28 -0.11 3.45 0.00 -1.57 -3.41 119.26 119.88 3k1b h ALA 108 Ca -0.00 -1.21 0.01 0.00 0.00 0.00 0.00 54.91 53.71 3k1b h ALA 108 Cb 0.08 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3k1b h ALA 108 CO 0.00 0.89 0.04 -0.07 0.00 0.00 0.00 179.25 180.11 3k1b h LEU 109 N -0.51 0.05 0.00 0.00 3.38 0.15 -2.44 115.31 115.93 3k1b h LEU 109 Ca -0.35 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3k1b h LEU 109 Cb 1.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.38 3k1b h LEU 109 CO -0.05 0.04 0.15 0.61 0.09 0.00 0.00 178.44 179.29 3k1b n GLY 110 N -1.13 0.00 0.03 0.83 0.00 0.72 -0.97 105.19 104.67 3k1b n GLY 110 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.08 3k1b n GLY 110 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k1b n TYR 111 N -0.47 0.22 -1.40 1.61 4.02 -0.92 -4.32 117.16 115.90 3k1b n TYR 111 Ca 0.00 0.06 0.08 0.00 -0.01 0.00 0.00 57.90 58.03 3k1b n TYR 111 Cb 0.15 -0.42 0.15 0.00 -0.02 0.00 0.00 39.34 39.19 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 -2.00 1.76 -3.42 -0.72 -2.24 -0.14 -4.52 114.28 103.01 3k1b n THR 112 Ca 0.01 -2.37 -0.33 0.00 -2.27 0.00 0.00 64.05 59.09 3k1b n THR 112 Cb 0.45 -0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.50 3k1b n THR 112 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3k1b n ASP 113 N -1.12 4.40 0.00 3.42 2.03 -1.25 -3.61 116.55 120.43 3k1b n ASP 113 Ca 0.15 -3.35 0.00 0.00 0.52 0.00 0.00 54.79 52.11 3k1b n ASP 113 Cb 0.69 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 3k1b n ASP 113 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3k1b n MET 114 N 1.37 1.13 -1.32 -0.67 2.81 -1.26 -4.91 117.12 114.27 3k1b n MET 114 Ca 0.26 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.75 3k1b n MET 114 Cb 0.38 -0.48 0.01 0.00 -0.71 0.00 0.00 33.22 32.41 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 -0.40 -2.45 -0.20 4.03 4.77 -1.26 -4.70 117.00 116.78 3k1b n LEU 115 Ca 0.00 0.77 0.22 0.00 -0.03 0.00 0.00 56.01 56.97 3k1b n LEU 115 Cb 0.00 -0.93 0.60 0.00 -2.33 0.00 0.00 43.42 40.76 3k1b n LEU 115 CO 0.00 -4.12 1.23 -0.65 -1.33 0.00 0.00 177.39 172.52 3k1b h PRO 116 N 0.28 0.23 0.00 3.23 0.11 -1.94 -3.38 132.00 130.53 3k1b h PRO 116 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3k1b h PRO 116 Cb 1.44 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.50 3k1b h PRO 116 CO 0.46 0.15 -0.05 -1.91 -0.21 0.00 0.00 178.00 176.45 3k1b n GLU 117 N -4.42 0.02 0.00 1.05 4.07 -1.26 -5.09 120.64 115.01 3k1b n GLU 117 Ca 0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 3k1b n GLU 117 Cb 0.78 -0.52 0.00 0.00 -0.06 0.00 0.00 31.44 31.64 3k1b n GLU 117 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3k1b n PHE 118 N -1.45 0.00 -1.49 4.31 3.72 -1.26 -5.04 117.46 116.24 3k1b n PHE 118 Ca 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.41 3k1b n PHE 118 Cb 0.02 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 -0.38 4.22 1.37 0.00 -1.26 -4.73 105.19 109.41 3k1b n GLY 119 Ca 0.00 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.34 -0.21 0.00 -0.02 0.00 -1.24 -4.85 105.19 98.53 3k1b n GLY 120 Ca 0.00 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.35 3k1b n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k1b n ASP 121 N -2.85 0.00 0.00 1.61 9.92 -1.26 -2.81 116.55 121.17 3k1b n ASP 121 Ca -0.31 0.37 0.11 0.00 -0.53 0.00 0.00 54.79 54.43 3k1b n ASP 121 Cb 0.68 -0.46 -0.02 0.00 -0.64 0.00 0.00 41.12 40.69 3k1b n ASP 121 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3k1b n THR 122 N -1.46 0.03 -2.56 -3.53 -1.04 -1.26 -4.66 114.28 99.81 3k1b n THR 122 Ca 0.08 -0.09 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 3k1b n THR 122 Cb 0.30 0.61 0.01 0.00 -1.82 0.00 0.00 70.33 69.43 3k1b n THR 122 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k1b n ALA 123 N -1.62 5.33 -0.50 2.41 0.00 -1.12 -4.98 120.51 120.02 3k1b n ALA 123 Ca 0.03 -4.49 -0.21 0.00 0.00 0.00 0.00 53.44 48.78 3k1b n ALA 123 Cb 0.37 -2.76 0.17 0.00 0.00 0.00 0.00 19.45 17.23 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 2.94 -2.43 -3.86 0.00 4.01 -1.26 -4.41 117.16 112.16 3k1b n TYR 124 Ca 0.35 -0.09 -0.22 0.00 -0.16 0.00 0.00 57.90 57.78 3k1b n TYR 124 Cb 0.35 -1.40 -0.04 0.00 -0.31 0.00 0.00 39.34 37.94 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 -2.09 5.08 -1.55 7.72 0.01 -1.26 -3.11 113.70 118.50 3k1b s SER 125 Ca 0.42 -0.61 -0.11 0.00 1.31 0.00 0.00 55.95 56.95 3k1b s SER 125 Cb -0.07 -0.85 0.09 0.00 0.21 0.00 0.00 66.02 65.40 3k1b s SER 125 CO 0.39 -0.38 0.76 0.47 0.41 0.00 0.00 173.24 174.89 3k1b n ASP 126 N -1.34 -2.93 -2.78 2.44 8.00 0.29 -4.80 116.55 115.44 3k1b n ASP 126 Ca -0.01 -0.92 -0.20 0.00 0.71 0.00 0.00 54.79 54.36 3k1b n ASP 126 Cb 0.60 -3.31 -0.01 0.00 -0.02 0.00 0.00 41.12 38.38 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 -2.83 3.03 0.00 -2.24 -0.08 -1.26 -4.51 116.55 108.66 3k1b n ASP 127 Ca -0.06 -3.31 0.00 0.00 -1.51 0.00 0.00 54.79 49.92 3k1b n ASP 127 Cb 0.56 -0.53 0.00 0.00 2.34 0.00 0.00 41.12 43.49 3k1b n ASP 127 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3k1b n PHE 128 N -0.16 0.00 1.79 -0.67 3.72 -1.26 -3.60 117.46 117.27 3k1b n PHE 128 Ca 0.26 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.77 3k1b n PHE 128 Cb 0.64 0.00 0.53 0.00 -0.94 0.00 0.00 39.48 39.70 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 14.00 0.05 0.30 1.38 3.72 -1.26 -4.41 117.46 131.24 3k1b n PHE 129 Ca 0.00 -0.03 0.10 0.00 -0.05 0.00 0.00 57.45 57.47 3k1b n PHE 129 Cb 0.00 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.40 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 -0.49 0.00 -1.47 -4.37 0.24 -1.24 -2.11 118.33 108.89 3k1b n VAL 130 Ca 0.15 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3k1b n VAL 130 Cb 0.14 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 3k1b n VAL 130 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k1b n GLY 131 N 1.38 4.18 3.69 7.63 0.00 -1.18 -4.31 105.19 116.58 3k1b n GLY 131 Ca -0.01 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 1.92 4.32 0.52 1.61 0.52 -1.26 -2.14 118.95 124.44 3k1b s ARG 132 Ca 0.00 1.80 0.03 0.00 -0.52 0.00 0.00 55.73 57.04 3k1b s ARG 132 Cb 0.00 -3.55 0.03 0.00 0.52 0.00 0.00 34.95 31.95 3k1b s ARG 132 CO 0.00 -0.49 0.28 1.33 0.02 0.00 0.00 175.30 176.43 3k1b n VAL 133 N 4.61 0.00 -4.66 3.52 0.24 -1.11 0.11 118.33 121.04 3k1b n VAL 133 Ca 0.12 -2.16 -0.24 0.00 -2.04 0.00 0.00 64.34 60.02 3k1b n VAL 133 Cb 0.45 0.11 -0.14 0.00 -1.47 0.00 0.00 33.84 32.78 3k1b n VAL 133 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3k1b s GLY 134 N -4.00 0.92 -0.51 7.63 0.00 -1.26 -2.98 107.32 107.13 3k1b s GLY 134 Ca 0.21 -0.87 -0.02 0.00 0.00 0.00 0.00 44.72 44.05 3k1b s GLY 134 CO 0.13 -0.78 0.44 0.61 0.00 0.00 0.00 173.10 173.50 3k1b n GLY 135 N 2.22 0.01 3.39 0.20 0.00 -0.21 -4.66 105.19 106.14 3k1b n GLY 135 Ca -0.16 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.17 2.48 -0.29 1.61 -7.23 -0.95 -0.87 120.40 111.98 3k1b s VAL 136 Ca 0.13 -1.04 0.02 0.00 -1.81 0.00 0.00 61.98 59.27 3k1b s VAL 136 Cb -0.02 -1.94 0.08 0.00 0.56 0.00 0.00 36.38 35.07 3k1b s VAL 136 CO 0.34 0.52 0.02 0.00 -0.31 0.00 0.00 175.10 175.66 3k1b s ALA 137 N -0.72 2.20 -0.09 1.32 0.00 0.60 -3.64 121.76 121.43 3k1b s ALA 137 Ca 0.11 -1.86 -0.04 0.00 0.00 0.00 0.00 51.96 50.17 3k1b s ALA 137 Cb -0.10 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 3k1b s ALA 137 CO 0.01 -1.49 0.10 0.99 0.00 0.00 0.00 175.76 175.37 3k1b s THR 138 N 1.27 5.08 -0.13 0.00 2.01 -1.14 0.22 115.64 122.95 3k1b s THR 138 Ca 0.04 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.04 3k1b s THR 138 Cb -0.19 -3.22 0.01 0.00 0.01 0.00 0.00 72.50 69.12 3k1b s THR 138 CO -0.12 0.56 -0.18 -0.47 -0.69 0.00 0.00 174.62 173.72 3k1b s TYR 139 N -1.03 2.30 0.13 4.92 5.04 0.14 -3.26 117.35 125.58 3k1b s TYR 139 Ca 0.17 -1.14 0.09 0.00 -2.44 0.00 0.00 57.07 53.74 3k1b s TYR 139 Cb -0.12 -1.61 -0.04 0.00 0.35 0.00 0.00 41.96 40.54 3k1b s TYR 139 CO 0.06 -0.56 -0.17 1.03 -1.34 0.00 0.00 175.55 174.57 3k1b s ARG 140 N 0.97 1.83 -0.01 4.97 0.52 -0.84 -2.10 118.95 124.29 3k1b s ARG 140 Ca -0.05 -1.20 0.01 0.00 -0.52 0.00 0.00 55.73 53.97 3k1b s ARG 140 Cb -0.15 -2.12 0.01 0.00 0.52 0.00 0.00 34.95 33.21 3k1b s ARG 140 CO -0.03 0.47 -0.02 1.21 0.02 0.00 0.00 175.30 176.96 3k1b s ASN 141 N -2.26 0.39 0.00 0.23 3.84 -1.25 -1.87 114.94 114.03 3k1b s ASN 141 Ca 0.19 -0.05 -0.16 0.00 0.21 0.00 0.00 52.86 53.06 3k1b s ASN 141 Cb -0.10 -0.12 -0.06 0.00 -0.55 0.00 0.00 41.25 40.42 3k1b s ASN 141 CO 0.11 -0.02 0.44 -0.44 -2.79 0.00 0.00 177.10 174.41 3k1b s SER 142 N 0.37 6.85 -1.11 -4.21 0.01 -1.26 -3.07 113.70 111.27 3k1b s SER 142 Ca -0.04 1.01 -0.25 0.00 1.31 0.00 0.00 55.95 57.99 3k1b s SER 142 Cb -0.06 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 63.93 3k1b s SER 142 CO -0.01 0.29 0.46 0.59 0.41 0.00 0.00 173.24 174.99 3k1b n ASN 143 N 1.95 -2.61 -3.30 2.44 3.02 -0.98 0.84 115.26 116.62 3k1b n ASN 143 Ca -0.13 -1.13 -0.15 0.00 -0.03 0.00 0.00 54.58 53.14 3k1b n ASN 143 Cb 0.52 -1.37 -0.05 0.00 -0.61 0.00 0.00 39.78 38.28 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 -4.45 -0.59 -1.79 3.10 7.35 0.45 0.12 117.46 121.64 3k1b n PHE 144 Ca -0.14 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 3k1b n PHE 144 Cb 0.51 -1.25 0.00 0.00 0.35 0.00 0.00 39.48 39.08 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 -2.62 0.00 0.00 -5.13 3.72 0.25 -3.45 117.46 110.23 3k1b n PHE 145 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3k1b n PHE 145 Cb 0.31 -1.45 0.00 0.00 -0.94 0.00 0.00 39.48 37.41 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 -0.72 0.00 0.00 1.37 0.00 0.32 -4.66 105.19 101.50 3k1b n GLY 146 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k1b n GLY 146 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k1b n LEU 147 N 0.00 0.00 -4.49 0.99 7.99 -0.78 -4.55 117.00 116.16 3k1b n LEU 147 Ca 0.00 0.68 -0.39 0.00 -0.01 0.00 0.00 56.01 56.28 3k1b n LEU 147 Cb 0.00 -0.19 -0.11 0.00 -0.11 0.00 0.00 43.42 43.01 3k1b n LEU 147 CO 0.00 -0.19 -0.16 -0.69 -1.51 0.00 0.00 177.39 174.84 3k1b s VAL 148 N -1.78 4.96 0.76 4.08 1.01 -0.69 -4.92 120.40 123.82 3k1b s VAL 148 Ca 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 3k1b s VAL 148 Cb 0.00 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.89 3k1b s VAL 148 CO 0.00 0.03 1.19 -1.81 0.00 0.00 0.00 175.10 174.51 3k1b s ASP 149 N 1.67 4.03 0.00 3.32 1.11 -1.26 -2.76 116.67 122.78 3k1b s ASP 149 Ca 0.05 2.31 0.00 0.00 0.18 0.00 0.00 52.55 55.09 3k1b s ASP 149 Cb -0.17 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.24 3k1b s ASP 149 CO 0.09 -2.37 0.00 0.61 1.18 0.00 0.00 175.17 174.68 3k1b n GLY 150 N 0.29 0.00 3.61 0.21 0.00 -1.26 -4.90 105.19 103.15 3k1b n GLY 150 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3k1b n GLY 150 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k1b s LEU 151 N 0.00 4.09 0.01 0.99 2.96 -1.11 -2.97 118.68 122.64 3k1b s LEU 151 Ca 0.00 0.68 0.03 0.00 -0.22 0.00 0.00 54.13 54.62 3k1b s LEU 151 Cb 0.00 -3.08 -0.01 0.00 0.50 0.00 0.00 46.19 43.60 3k1b s LEU 151 CO 0.00 -0.60 -0.09 0.20 -1.32 0.00 0.00 176.35 174.54 3k1b s ASN 152 N 1.60 1.01 0.00 3.68 0.02 -0.47 0.17 114.94 120.95 3k1b s ASN 152 Ca 0.32 -0.25 0.00 0.00 -1.02 0.00 0.00 52.86 51.91 3k1b s ASN 152 Cb -0.14 -0.08 0.00 0.00 0.02 0.00 0.00 41.25 41.05 3k1b s ASN 152 CO 0.12 0.04 0.00 2.22 0.02 0.00 0.00 177.10 179.50 3k1b n PHE 153 N 2.53 0.00 0.00 2.20 -1.74 -1.17 -0.84 117.46 118.44 3k1b n PHE 153 Ca -0.15 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.74 3k1b n PHE 153 Cb 0.57 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.57 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 0.00 -2.71 1.98 0.00 -1.08 -3.84 120.51 111.86 3k1b n ALA 154 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3k1b n ALA 154 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 0.00 4.08 -0.04 0.00 0.11 -0.89 -3.53 120.40 120.13 3k1b s VAL 155 Ca 0.00 -1.07 -0.00 0.00 -2.93 0.00 0.00 61.98 57.98 3k1b s VAL 155 Cb 0.00 -2.99 0.03 0.00 -1.53 0.00 0.00 36.38 31.88 3k1b s VAL 155 CO 0.00 0.04 -0.00 -1.58 -3.33 0.00 0.00 175.10 170.22 3k1b s GLN 156 N -2.58 0.45 -0.05 1.54 0.74 0.58 -0.68 119.66 119.65 3k1b s GLN 156 Ca 0.27 0.07 -0.07 0.00 0.05 0.00 0.00 55.36 55.69 3k1b s GLN 156 Cb -0.11 -0.67 -0.04 0.00 1.10 0.00 0.00 33.01 33.29 3k1b s GLN 156 CO 0.20 -0.18 0.21 0.71 -0.55 0.00 0.00 175.29 175.67 3k1b s TYR 157 N 1.31 3.60 -0.08 1.67 4.12 0.13 -1.74 117.35 126.35 3k1b s TYR 157 Ca -0.05 0.55 0.03 0.00 0.02 0.00 0.00 57.07 57.61 3k1b s TYR 157 Cb -0.13 -1.96 0.01 0.00 -1.52 0.00 0.00 41.96 38.36 3k1b s TYR 157 CO -0.02 0.68 -0.17 -1.17 0.02 0.00 0.00 175.55 174.89 3k1b s LEU 158 N -1.41 1.81 0.74 -1.29 2.96 0.11 -0.29 118.68 121.31 3k1b s LEU 158 Ca 0.22 -0.41 -0.15 0.00 -0.22 0.00 0.00 54.13 53.56 3k1b s LEU 158 Cb -0.13 -1.07 0.04 0.00 0.50 0.00 0.00 46.19 45.53 3k1b s LEU 158 CO 0.11 0.07 1.14 0.61 -1.32 0.00 0.00 176.35 176.97 3k1b n GLY 159 N 3.78 -0.03 3.68 7.98 0.00 -0.05 -2.19 105.19 118.36 3k1b n GLY 159 Ca -0.21 -0.36 -0.46 0.00 0.00 0.00 0.00 46.02 44.99 3k1b n GLY 159 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3k1b n LYS 160 N -2.47 2.33 -3.21 1.61 3.00 -1.26 -4.31 118.16 113.86 3k1b n LYS 160 Ca 0.14 0.85 -0.23 0.00 -0.00 0.00 0.00 58.31 59.07 3k1b n LYS 160 Cb 0.49 -2.70 -0.07 0.00 0.00 0.00 0.00 35.03 32.76 3k1b n LYS 160 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3k1b n ASN 161 N 5.87 0.64 -4.43 3.14 4.13 0.42 -4.99 115.26 120.04 3k1b n ASN 161 Ca 0.20 -2.81 -0.44 0.00 1.68 0.00 0.00 54.58 53.21 3k1b n ASN 161 Cb 0.32 -0.64 -0.01 0.00 -1.54 0.00 0.00 39.78 37.91 3k1b n ASN 161 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3k1b s GLU 162 N -1.50 3.87 0.00 3.52 2.02 -1.26 -3.28 118.70 122.07 3k1b s GLU 162 Ca 0.36 -2.34 0.00 0.00 0.02 0.00 0.00 54.97 53.02 3k1b s GLU 162 Cb 0.19 -4.89 0.00 0.00 0.10 0.00 0.00 34.13 29.53 3k1b s GLU 162 CO -0.10 -1.66 0.00 0.54 0.02 0.00 0.00 175.26 174.06 3k1b n ARG 163 N 5.49 2.67 -0.07 1.61 1.74 -1.26 -5.04 116.66 121.79 3k1b n ARG 163 Ca 0.28 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 57.14 3k1b n ARG 163 Cb 0.45 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.77 3k1b n ARG 163 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3k1b n ASP 164 N 0.00 1.99 -4.60 0.55 8.00 -1.26 -4.75 116.55 116.48 3k1b n ASP 164 Ca 0.00 0.26 -0.43 0.00 0.71 0.00 0.00 54.79 55.33 3k1b n ASP 164 Cb 0.00 -0.84 -0.02 0.00 -0.02 0.00 0.00 41.12 40.24 3k1b n ASP 164 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3k1b s THR 165 N -2.48 3.95 0.00 -3.53 2.01 -1.26 -4.88 115.64 109.45 3k1b s THR 165 Ca -0.29 0.95 0.00 0.00 0.31 0.00 0.00 61.69 62.67 3k1b s THR 165 Cb 0.08 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.28 3k1b s THR 165 CO 0.64 -0.85 0.00 0.00 -0.69 0.00 0.00 174.62 173.72 3k1b n ALA 166 N 8.71 0.00 -0.34 7.40 0.00 -1.26 -0.36 120.51 134.66 3k1b n ALA 166 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.59 3k1b n ALA 166 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.59 0.69 -0.09 0.00 0.63 -1.26 -1.53 116.66 114.50 3k1b n ARG 167 Ca 0.00 -0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 3k1b n ARG 167 Cb 0.00 -1.20 0.00 0.00 0.45 0.00 0.00 32.46 31.71 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 1.72 0.37 0.00 -0.14 5.12 0.51 -4.93 116.66 119.31 3k1b n ARG 168 Ca 0.01 -0.77 0.00 0.00 -1.93 0.00 0.00 57.85 55.17 3k1b n ARG 168 Cb 0.34 -0.59 0.00 0.00 -1.16 0.00 0.00 32.46 31.05 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 -0.10 0.20 0.00 0.55 7.64 -0.58 -4.68 113.62 116.65 3k1b n SER 169 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3k1b n SER 169 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.00 0.00 -2.28 6.43 6.94 -1.21 -4.43 115.26 120.72 3k1b n ASN 170 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3k1b n ASN 170 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 -3.14 3.59 4.83 0.00 -1.11 0.16 105.19 109.53 3k1b n GLY 171 Ca 0.00 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.05 4.57 0.15 1.61 1.01 -1.26 -4.15 116.67 116.54 3k1b s ASP 172 Ca 0.00 -0.21 0.03 0.00 0.71 0.00 0.00 52.55 53.08 3k1b s ASP 172 Cb 0.00 -1.01 -0.04 0.00 1.01 0.00 0.00 42.92 42.87 3k1b s ASP 172 CO 0.00 0.25 -0.06 -0.83 0.21 0.00 0.00 175.17 174.75 3k1b s GLY 173 N -1.65 1.08 0.41 0.21 0.00 -0.93 -2.40 107.32 104.04 3k1b s GLY 173 Ca 0.19 -1.51 0.04 0.00 0.00 0.00 0.00 44.72 43.43 3k1b s GLY 173 CO 0.10 -1.55 0.07 0.14 0.00 0.00 0.00 173.10 171.86 3k1b s VAL 174 N -3.50 1.04 0.00 1.40 1.01 -1.04 0.05 120.40 119.36 3k1b s VAL 174 Ca 0.18 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.16 3k1b s VAL 174 Cb 0.04 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3k1b s VAL 174 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.72 3k1b n GLY 175 N -0.93 1.59 0.00 4.51 0.00 -0.71 -1.14 105.19 108.51 3k1b n GLY 175 Ca -0.08 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.71 3.05 0.00 -0.02 0.00 -0.59 0.21 105.19 107.13 3k1b n GLY 176 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.75 1.61 3.41 -1.23 -1.52 113.62 111.14 3k1b n SER 177 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 3k1b n SER 177 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.00 5.28 -0.10 -1.33 1.01 -1.16 -2.64 121.20 122.26 3k1b s ILE 178 Ca 0.00 0.60 0.03 0.00 0.00 0.00 0.00 60.65 61.28 3k1b s ILE 178 Cb 0.00 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.83 3k1b s ILE 178 CO 0.00 0.42 -0.19 -0.94 0.00 0.00 0.00 174.94 174.23 3k1b s SER 179 N 0.20 2.68 -0.19 3.58 1.04 -0.02 -2.42 113.70 118.57 3k1b s SER 179 Ca 0.18 -0.48 -0.01 0.00 0.48 0.00 0.00 55.95 56.12 3k1b s SER 179 Cb -0.14 -1.22 0.05 0.00 0.10 0.00 0.00 66.02 64.81 3k1b s SER 179 CO 0.06 0.09 -0.02 -0.47 0.98 0.00 0.00 173.24 173.87 3k1b s TYR 180 N 0.60 1.65 -0.15 5.02 5.04 -0.99 -1.37 117.35 127.15 3k1b s TYR 180 Ca -0.14 -1.16 -0.03 0.00 -2.44 0.00 0.00 57.07 53.30 3k1b s TYR 180 Cb -0.17 -1.28 -0.02 0.00 0.35 0.00 0.00 41.96 40.84 3k1b s TYR 180 CO 0.04 -0.65 -0.06 -1.21 -1.34 0.00 0.00 175.55 172.33 3k1b s GLU 181 N 1.65 3.56 -0.23 4.97 2.02 -1.16 -1.17 118.70 128.35 3k1b s GLU 181 Ca -0.01 -0.58 0.02 0.00 0.02 0.00 0.00 54.97 54.42 3k1b s GLU 181 Cb -0.17 -2.84 0.04 0.00 0.10 0.00 0.00 34.13 31.26 3k1b s GLU 181 CO -0.07 0.19 -0.14 -0.47 0.02 0.00 0.00 175.26 174.79 3k1b s TYR 182 N 0.46 3.05 0.00 1.61 5.04 -0.07 -4.54 117.35 122.90 3k1b s TYR 182 Ca -0.05 -1.99 0.00 0.00 -2.44 0.00 0.00 57.07 52.59 3k1b s TYR 182 Cb -0.15 -1.93 0.00 0.00 0.35 0.00 0.00 41.96 40.23 3k1b s TYR 182 CO 0.03 -0.84 0.00 -1.91 -1.34 0.00 0.00 175.55 171.49 3k1b n GLU 183 N 4.53 0.00 0.00 4.97 2.13 -1.26 -1.00 120.64 130.01 3k1b n GLU 183 Ca -0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.65 3k1b n GLU 183 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.17 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 0.46 2.37 3.86 8.31 0.00 -1.26 -5.03 105.19 113.90 3k1b n GLY 184 Ca 0.00 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.01 3.18 -0.12 1.61 2.99 -0.17 -2.39 117.98 123.08 3k1b s PHE 185 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 56.93 56.78 3k1b s PHE 185 Cb 0.00 -1.46 0.06 0.00 0.00 0.00 0.00 43.02 41.62 3k1b s PHE 185 CO 0.00 0.49 0.26 0.20 -0.00 0.00 0.00 175.22 176.17 3k1b s GLY 186 N -3.88 -0.14 -0.15 4.36 0.00 0.20 -0.89 107.32 106.82 3k1b s GLY 186 Ca 0.33 0.99 -0.04 0.00 0.00 0.00 0.00 44.72 46.00 3k1b s GLY 186 CO 0.26 1.70 0.16 -1.50 0.00 0.00 0.00 173.10 173.72 3k1b s ILE 187 N 1.96 -0.24 -0.07 0.90 -1.16 -0.31 0.14 121.20 122.41 3k1b s ILE 187 Ca -0.03 0.04 -0.17 0.00 -0.51 0.00 0.00 60.65 59.98 3k1b s ILE 187 Cb -0.11 -0.51 0.04 0.00 0.61 0.00 0.00 42.46 42.48 3k1b s ILE 187 CO -0.09 -0.10 0.39 0.68 -2.81 0.00 0.00 174.94 173.02 3k1b s VAL 188 N 2.27 0.03 0.12 4.00 -7.23 -0.42 -2.34 120.40 116.82 3k1b s VAL 188 Ca 0.04 -0.24 0.05 0.00 -1.81 0.00 0.00 61.98 60.03 3k1b s VAL 188 Cb -0.14 -0.65 -0.04 0.00 0.56 0.00 0.00 36.38 36.11 3k1b s VAL 188 CO -0.09 -0.13 -0.13 -0.83 -0.31 0.00 0.00 175.10 173.61 3k1b s GLY 189 N -0.74 1.02 -0.05 2.32 0.00 -1.01 -1.55 107.32 107.31 3k1b s GLY 189 Ca -0.08 -1.27 -0.19 0.00 0.00 0.00 0.00 44.72 43.18 3k1b s GLY 189 CO 0.04 -1.34 0.42 0.00 0.00 0.00 0.00 173.10 172.22 3k1b s ALA 190 N -2.25 -1.07 0.23 3.20 0.00 -0.80 -2.96 121.76 118.11 3k1b s ALA 190 Ca 0.08 0.71 -0.22 0.00 0.00 0.00 0.00 51.96 52.54 3k1b s ALA 190 Cb -0.04 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.05 3k1b s ALA 190 CO 0.02 -0.28 0.68 -0.47 0.00 0.00 0.00 175.76 175.72 3k1b s TYR 191 N -1.04 -0.32 -1.01 0.00 5.04 -0.57 -1.40 117.35 118.04 3k1b s TYR 191 Ca -0.11 -0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.49 3k1b s TYR 191 Cb -0.04 0.65 0.00 0.00 0.35 0.00 0.00 41.96 42.92 3k1b s TYR 191 CO 0.05 -1.07 0.00 0.41 -1.34 0.00 0.00 175.55 173.60 3k1b n GLY 192 N -0.43 -1.46 3.60 8.97 0.00 -1.22 -1.55 105.19 113.10 3k1b n GLY 192 Ca -0.09 -1.07 0.01 0.00 0.00 0.00 0.00 46.02 44.86 3k1b n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1b s ALA 193 N -2.00 -2.31 0.00 4.61 0.00 -0.29 -3.49 121.76 118.28 3k1b s ALA 193 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3k1b s ALA 193 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.21 3k1b s ALA 193 CO 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 175.76 174.87 3k1b n ALA 194 N -0.34 0.00 -1.75 0.00 0.00 0.53 -2.49 120.51 116.46 3k1b n ALA 194 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 3k1b n ALA 194 Cb 0.61 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.14 3k1b n ALA 194 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k1b s ASP 195 N 0.00 4.69 0.01 0.00 1.01 -1.01 0.22 116.67 121.60 3k1b s ASP 195 Ca 0.00 1.07 0.04 0.00 0.71 0.00 0.00 52.55 54.36 3k1b s ASP 195 Cb 0.00 -1.74 -0.03 0.00 1.01 0.00 0.00 42.92 42.16 3k1b s ASP 195 CO 0.00 -1.81 -0.08 -0.13 0.21 0.00 0.00 175.17 173.35 3k1b s ARG 196 N -5.35 2.48 0.81 8.23 0.52 -1.14 -2.73 118.95 121.77 3k1b s ARG 196 Ca 0.61 -0.77 -0.11 0.00 -0.52 0.00 0.00 55.73 54.94 3k1b s ARG 196 Cb -0.12 -2.45 0.08 0.00 0.52 0.00 0.00 34.95 32.97 3k1b s ARG 196 CO 0.52 0.59 1.09 0.95 0.02 0.00 0.00 175.30 178.47 3k1b s THR 197 N -1.00 3.11 0.07 0.02 -4.23 -1.26 -4.69 115.64 107.67 3k1b s THR 197 Ca 0.17 0.36 -0.20 0.00 -1.18 0.00 0.00 61.69 60.84 3k1b s THR 197 Cb -0.11 -2.92 -0.10 0.00 1.34 0.00 0.00 72.50 70.70 3k1b s THR 197 CO 0.08 -0.47 1.53 0.78 -0.54 0.00 0.00 174.62 175.99 3k1b h ASN 198 N -1.23 0.31 0.00 3.99 2.35 -2.00 0.23 115.58 119.23 3k1b h ASN 198 Ca -0.46 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.01 3k1b h ASN 198 Cb 1.25 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3k1b h ASN 198 CO 0.55 0.51 0.52 -0.11 -1.65 0.00 0.00 177.43 177.24 3k1b n LEU 199 N -4.74 0.08 -0.01 1.61 7.94 -1.26 0.15 117.00 120.77 3k1b n LEU 199 Ca -0.04 0.28 -0.17 0.00 -1.11 0.00 0.00 56.01 54.96 3k1b n LEU 199 Cb 0.20 -0.16 -0.14 0.00 0.53 0.00 0.00 43.42 43.85 3k1b n LEU 199 CO 0.36 -0.30 -0.78 0.00 -1.11 0.00 0.00 177.39 175.56 3k1b n GLN 200 N -1.61 0.72 0.20 1.96 6.02 0.80 -3.78 117.38 121.68 3k1b n GLN 200 Ca -0.00 0.26 0.05 0.00 -0.01 0.00 0.00 57.00 57.29 3k1b n GLN 200 Cb 0.53 -1.71 0.40 0.00 1.02 0.00 0.00 30.24 30.47 3k1b n GLN 200 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3k1b h GLU 201 N 0.05 0.00 0.00 -1.09 4.39 0.17 -3.11 114.58 114.99 3k1b h GLU 201 Ca -0.40 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.27 3k1b h GLU 201 Cb 2.03 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.67 3k1b h GLU 201 CO 0.07 0.35 -0.15 0.00 -1.16 0.00 0.00 179.01 178.12 3k1b h ALA 202 N 1.65 1.22 -2.56 3.43 0.00 -1.14 -3.44 119.26 118.42 3k1b h ALA 202 Ca -0.00 -0.14 -0.50 0.00 0.00 0.00 0.00 54.91 54.27 3k1b h ALA 202 Cb 0.68 -0.02 0.08 0.00 0.00 0.00 0.00 17.79 18.53 3k1b h ALA 202 CO 0.05 0.19 0.42 -0.65 0.00 0.00 0.00 179.25 179.25 3k1b s GLN 203 N -4.06 3.27 0.43 0.00 -1.52 -1.18 -4.85 119.66 111.74 3k1b s GLN 203 Ca -0.02 1.56 0.14 0.00 -1.95 0.00 0.00 55.36 55.09 3k1b s GLN 203 Cb 0.12 -2.00 0.93 0.00 -0.22 0.00 0.00 33.01 31.84 3k1b s GLN 203 CO 0.60 -0.91 1.95 -1.35 -0.25 0.00 0.00 175.29 175.33 3k1b h PRO 204 N 0.99 0.00 -6.27 2.91 0.11 -1.86 -3.41 132.00 124.47 3k1b h PRO 204 Ca -0.49 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.05 3k1b h PRO 204 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3k1b h PRO 204 CO 0.56 0.23 -0.24 -0.51 -0.21 0.00 0.00 178.00 177.84 3k1b s LEU 205 N -8.52 4.23 0.00 2.35 1.43 -1.24 -4.89 118.68 112.04 3k1b s LEU 205 Ca -0.04 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 3k1b s LEU 205 Cb 0.15 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.92 3k1b s LEU 205 CO 0.70 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.90 3k1b n GLY 206 N -0.02 -3.17 3.23 -3.19 0.00 0.14 -3.49 105.19 98.69 3k1b n GLY 206 Ca -0.01 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 3k1b n GLY 206 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k1b s ASN 207 N -0.04 5.42 0.18 1.61 2.47 -1.26 -4.85 114.94 118.48 3k1b s ASN 207 Ca 0.00 -1.52 -0.23 0.00 0.42 0.00 0.00 52.86 51.53 3k1b s ASN 207 Cb 0.00 -1.91 0.06 0.00 -1.45 0.00 0.00 41.25 37.95 3k1b s ASN 207 CO 0.00 -0.47 0.71 -0.83 -3.72 0.00 0.00 177.10 172.78 3k1b s GLY 208 N 1.84 -0.38 0.00 1.21 0.00 -1.26 -4.86 107.32 103.87 3k1b s GLY 208 Ca 0.02 0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.98 3k1b s GLY 208 CO 0.01 0.08 0.00 0.28 0.00 0.00 0.00 173.10 173.46 3k1b n LYS 209 N -0.40 1.95 -3.30 2.90 5.02 -1.26 -4.87 118.16 118.20 3k1b n LYS 209 Ca -0.11 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.21 3k1b n LYS 209 Cb 0.62 -0.85 -0.03 0.00 -0.02 0.00 0.00 35.03 34.76 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 -1.41 0.35 0.27 1.97 2.20 -1.26 -2.89 119.74 118.96 3k1b s LYS 210 Ca 0.00 0.74 0.06 0.00 -0.36 0.00 0.00 55.97 56.41 3k1b s LYS 210 Cb 0.00 0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 36.73 3k1b s LYS 210 CO 0.00 -0.24 0.39 0.00 -0.36 0.00 0.00 175.35 175.13 3k1b s ALA 211 N 2.72 4.02 -0.30 3.13 0.00 0.61 -4.85 121.76 127.09 3k1b s ALA 211 Ca 0.02 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 50.55 3k1b s ALA 211 Cb -0.10 -1.68 0.17 0.00 0.00 0.00 0.00 23.12 21.52 3k1b s ALA 211 CO -0.16 0.14 0.91 -1.21 0.00 0.00 0.00 175.76 175.44 3k1b s GLU 212 N -4.04 0.33 -0.10 0.00 2.02 -1.11 -0.34 118.70 115.46 3k1b s GLU 212 Ca 0.38 0.67 0.00 0.00 0.02 0.00 0.00 54.97 56.04 3k1b s GLU 212 Cb -0.09 0.39 -0.02 0.00 0.10 0.00 0.00 34.13 34.50 3k1b s GLU 212 CO 0.29 -0.26 -0.09 -0.65 0.02 0.00 0.00 175.26 174.57 3k1b s GLN 213 N 2.77 3.04 0.28 1.61 -0.21 -1.23 -0.56 119.66 125.35 3k1b s GLN 213 Ca 0.03 -0.61 0.05 0.00 0.02 0.00 0.00 55.36 54.86 3k1b s GLN 213 Cb -0.10 -2.62 -0.06 0.00 1.00 0.00 0.00 33.01 31.23 3k1b s GLN 213 CO -0.16 0.46 -0.02 1.67 -2.12 0.00 0.00 175.29 175.12 3k1b s TRP 214 N -0.28 1.86 -0.29 0.91 1.48 -0.38 -3.45 118.94 118.79 3k1b s TRP 214 Ca 0.03 -0.80 -0.23 0.00 -1.06 0.00 0.00 56.10 54.03 3k1b s TRP 214 Cb -0.13 -1.10 0.15 0.00 -1.16 0.00 0.00 33.47 31.23 3k1b s TRP 214 CO 0.03 0.15 1.14 0.00 -4.06 0.00 0.00 176.95 174.21 3k1b s ALA 215 N -3.17 -2.11 0.17 2.67 0.00 -0.49 -2.90 121.76 115.93 3k1b s ALA 215 Ca 0.30 1.87 0.03 0.00 0.00 0.00 0.00 51.96 54.17 3k1b s ALA 215 Cb 0.05 -1.59 -0.05 0.00 0.00 0.00 0.00 23.12 21.53 3k1b s ALA 215 CO 0.12 -0.22 -0.03 0.95 0.00 0.00 0.00 175.76 176.58 3k1b s THR 216 N 0.36 0.86 0.12 0.00 -4.23 0.66 -1.90 115.64 111.51 3k1b s THR 216 Ca 0.02 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.45 3k1b s THR 216 Cb -0.05 -2.06 -0.01 0.00 1.34 0.00 0.00 72.50 71.73 3k1b s THR 216 CO -0.10 -0.55 0.21 -0.83 -0.54 0.00 0.00 174.62 172.81 3k1b s GLY 217 N -3.18 0.30 -0.02 3.99 0.00 -0.60 0.55 107.32 108.35 3k1b s GLY 217 Ca 0.22 -0.78 -0.02 0.00 0.00 0.00 0.00 44.72 44.13 3k1b s GLY 217 CO 0.03 -0.86 0.06 1.08 0.00 0.00 0.00 173.10 173.41 3k1b s LEU 218 N -2.91 1.76 0.12 0.66 1.43 -0.88 -1.30 118.68 117.55 3k1b s LEU 218 Ca 0.11 0.11 -0.24 0.00 -1.03 0.00 0.00 54.13 53.07 3k1b s LEU 218 Cb 0.04 0.23 0.07 0.00 0.03 0.00 0.00 46.19 46.57 3k1b s LEU 218 CO -0.06 -0.04 0.64 -1.59 0.23 0.00 0.00 176.35 175.52 3k1b s LYS 219 N -0.04 1.21 -0.32 1.70 -2.85 0.37 -1.83 119.74 117.98 3k1b s LYS 219 Ca -0.01 -0.37 -0.01 0.00 -1.00 0.00 0.00 55.97 54.58 3k1b s LYS 219 Cb -0.01 0.56 0.11 0.00 -2.06 0.00 0.00 37.83 36.43 3k1b s LYS 219 CO 0.00 -0.51 0.14 -0.47 0.10 0.00 0.00 175.35 174.60 3k1b s TYR 220 N -3.38 1.20 -0.31 1.78 5.04 0.08 0.61 117.35 122.37 3k1b s TYR 220 Ca -0.00 -1.54 0.01 0.00 -2.44 0.00 0.00 57.07 53.10 3k1b s TYR 220 Cb -0.01 -1.39 0.07 0.00 0.35 0.00 0.00 41.96 40.98 3k1b s TYR 220 CO -0.10 -0.85 0.00 0.34 -1.34 0.00 0.00 175.55 173.60 3k1b s ASP 221 N 1.56 4.78 0.00 4.32 -1.08 -1.01 -2.47 116.67 122.78 3k1b s ASP 221 Ca 0.11 -1.57 0.00 0.00 -0.52 0.00 0.00 52.55 50.58 3k1b s ASP 221 Cb -0.18 -1.66 0.00 0.00 -1.46 0.00 0.00 42.92 39.61 3k1b s ASP 221 CO -0.23 -0.30 0.00 0.00 0.52 0.00 0.00 175.17 175.16 3k1b n ALA 222 N 4.49 0.00 -0.13 3.66 0.00 -0.80 -4.77 120.51 122.97 3k1b n ALA 222 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3k1b n ALA 222 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.18 0.00 0.00 5.03 -1.26 -3.52 115.26 115.33 3k1b n ASN 223 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3k1b n ASN 223 Cb 0.00 -0.04 0.00 0.00 -1.02 0.00 0.00 39.78 38.72 3k1b n ASN 223 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3k1b n ASN 224 N 0.17 -2.83 -3.88 6.41 3.02 -1.26 -4.90 115.26 112.00 3k1b n ASN 224 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.27 3k1b n ASN 224 Cb 0.02 -0.47 -0.16 0.00 -0.61 0.00 0.00 39.78 38.55 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 -2.00 1.10 -0.19 2.41 1.09 -1.23 0.00 121.20 122.38 3k1b s ILE 225 Ca 0.00 -0.69 -0.01 0.00 -1.10 0.00 0.00 60.65 58.85 3k1b s ILE 225 Cb 0.00 -1.32 0.00 0.00 -1.06 0.00 0.00 42.46 40.09 3k1b s ILE 225 CO 0.00 0.07 -0.13 -0.47 -0.10 0.00 0.00 174.94 174.31 3k1b s TYR 226 N 1.63 2.85 -0.06 3.97 5.04 -0.62 -1.90 117.35 128.26 3k1b s TYR 226 Ca -0.00 -1.21 0.03 0.00 -2.44 0.00 0.00 57.07 53.45 3k1b s TYR 226 Cb -0.16 -1.98 0.01 0.00 0.35 0.00 0.00 41.96 40.17 3k1b s TYR 226 CO -0.07 -0.62 -0.15 -0.51 -1.34 0.00 0.00 175.55 172.86 3k1b s LEU 227 N 1.24 1.80 0.09 6.97 1.43 -1.03 -0.09 118.68 129.08 3k1b s LEU 227 Ca 0.03 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 3k1b s LEU 227 Cb -0.14 -0.94 -0.03 0.00 0.03 0.00 0.00 46.19 45.11 3k1b s LEU 227 CO -0.06 0.09 -0.12 0.00 0.23 0.00 0.00 176.35 176.49 3k1b s ALA 228 N 0.39 1.14 -0.02 4.21 0.00 -0.46 -0.74 121.76 126.29 3k1b s ALA 228 Ca -0.11 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 50.68 3k1b s ALA 228 Cb -0.14 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.95 3k1b s ALA 228 CO 0.04 0.06 0.16 0.00 0.00 0.00 0.00 175.76 176.01 3k1b s ALA 229 N -1.87 -0.38 0.05 0.00 0.00 -0.76 -1.23 121.76 117.57 3k1b s ALA 229 Ca 0.02 0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.09 3k1b s ALA 229 Cb -0.06 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 3k1b s ALA 229 CO 0.01 -0.18 -0.16 -0.80 0.00 0.00 0.00 175.76 174.63 3k1b s ASN 230 N -1.01 1.93 -0.02 0.00 0.02 0.54 -2.07 114.94 114.33 3k1b s ASN 230 Ca -0.11 -0.50 -0.09 0.00 -1.02 0.00 0.00 52.86 51.15 3k1b s ASN 230 Cb -0.06 -0.13 0.01 0.00 0.02 0.00 0.00 41.25 41.09 3k1b s ASN 230 CO 0.01 0.06 0.19 -0.47 0.02 0.00 0.00 177.10 176.92 3k1b s TYR 231 N -0.87 -0.07 0.00 2.20 5.04 0.19 -0.62 117.35 123.21 3k1b s TYR 231 Ca 0.03 0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.79 3k1b s TYR 231 Cb -0.08 0.01 0.00 0.00 0.35 0.00 0.00 41.96 42.24 3k1b s TYR 231 CO 0.02 -0.26 0.00 0.41 -1.34 0.00 0.00 175.55 174.38 3k1b n GLY 232 N 1.83 0.93 3.71 8.97 0.00 -0.52 -0.25 105.19 119.85 3k1b n GLY 232 Ca -0.20 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 3k1b n GLY 232 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k1b s GLU 233 N -2.00 2.11 -0.09 1.61 2.02 -1.14 -2.01 118.70 119.21 3k1b s GLU 233 Ca 0.00 -2.31 -0.08 0.00 0.02 0.00 0.00 54.97 52.60 3k1b s GLU 233 Cb 0.00 -1.50 0.02 0.00 0.10 0.00 0.00 34.13 32.75 3k1b s GLU 233 CO 0.00 -0.28 0.23 0.95 0.02 0.00 0.00 175.26 176.17 3k1b s THR 234 N -2.86 -0.00 -0.13 3.63 -4.23 -1.21 -1.25 115.64 109.59 3k1b s THR 234 Ca 0.15 0.01 -0.19 0.00 -1.18 0.00 0.00 61.69 60.48 3k1b s THR 234 Cb 0.04 -0.32 -0.04 0.00 1.34 0.00 0.00 72.50 73.52 3k1b s THR 234 CO 0.08 0.00 0.50 -0.13 -0.54 0.00 0.00 174.62 174.53 3k1b s ARG 235 N 0.21 4.32 -1.10 3.99 1.81 0.27 -2.49 118.95 125.96 3k1b s ARG 235 Ca -0.01 0.48 -0.20 0.00 -1.72 0.00 0.00 55.73 54.28 3k1b s ARG 235 Cb -0.02 -3.46 0.03 0.00 -0.45 0.00 0.00 34.95 31.04 3k1b s ARG 235 CO -0.00 0.08 0.38 0.09 -0.68 0.00 0.00 175.30 175.17 3k1b n ASN 236 N 3.92 -2.00 0.11 0.23 3.02 -0.09 -2.75 115.26 117.70 3k1b n ASN 236 Ca -0.06 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 3k1b n ASN 236 Cb 0.51 -1.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 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 -4.25 3.00 -2.15 5.41 0.00 -1.26 -4.57 120.51 116.68 3k1b n ALA 237 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 3k1b n ALA 237 Cb 0.50 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 3k1b n ALA 237 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3k1b s THR 238 N -2.00 3.33 -0.26 0.00 2.01 -1.26 -4.92 115.64 112.54 3k1b s THR 238 Ca 0.00 0.91 -0.29 0.00 0.31 0.00 0.00 61.69 62.62 3k1b s THR 238 Cb 0.00 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 3k1b s THR 238 CO 0.00 0.05 1.43 -2.16 -0.69 0.00 0.00 174.62 173.25 3k1b s PRO 239 N 1.42 3.87 -0.02 4.92 0.04 -1.26 -2.86 135.00 141.11 3k1b s PRO 239 Ca 0.65 1.42 0.06 0.00 0.04 0.00 0.00 61.00 63.18 3k1b s PRO 239 Cb -0.36 -3.94 -0.02 0.00 0.04 0.00 0.00 34.50 30.22 3k1b s PRO 239 CO 0.30 -1.18 -0.21 0.96 0.04 0.00 0.00 177.00 176.91 3k1b s ILE 240 N 4.69 1.65 0.38 0.56 -4.36 -0.34 -5.01 121.20 118.77 3k1b s ILE 240 Ca 0.62 -0.89 0.08 0.00 -0.26 0.00 0.00 60.65 60.20 3k1b s ILE 240 Cb -0.20 -1.37 -0.03 0.00 1.25 0.00 0.00 42.46 42.11 3k1b s ILE 240 CO 0.25 0.47 0.29 -0.89 0.24 0.00 0.00 174.94 175.30 3k1b s THR 241 N -0.48 2.87 -0.59 8.37 2.01 -1.26 -3.21 115.64 123.35 3k1b s THR 241 Ca 0.08 -1.46 0.06 0.00 0.31 0.00 0.00 61.69 60.68 3k1b s THR 241 Cb -0.08 -3.04 0.25 0.00 0.01 0.00 0.00 72.50 69.64 3k1b s THR 241 CO -0.01 -0.07 0.71 -3.20 -0.69 0.00 0.00 174.62 171.36 3k1b n ASN 242 N -1.40 3.10 -0.37 3.53 2.85 -0.95 -4.68 115.26 117.34 3k1b n ASN 242 Ca 0.01 -3.31 0.32 0.00 -0.11 0.00 0.00 54.58 51.48 3k1b n ASN 242 Cb 0.62 -0.66 0.64 0.00 1.24 0.00 0.00 39.78 41.61 3k1b n ASN 242 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3k1b h LYS 243 N 4.14 0.17 0.00 1.20 6.56 -1.69 0.80 116.57 127.74 3k1b h LYS 243 Ca 0.18 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.76 3k1b h LYS 243 Cb 0.70 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.32 3k1b h LYS 243 CO 0.77 0.11 0.00 1.19 -2.06 0.00 0.00 179.45 179.46 3k1b n PHE 244 N -4.44 0.00 0.06 -1.35 3.72 -1.26 -3.30 117.46 110.89 3k1b n PHE 244 Ca 0.29 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.70 3k1b n PHE 244 Cb 1.18 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.80 3k1b n PHE 244 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3k1b n THR 245 N 0.00 0.64 -3.56 4.37 -2.24 -0.98 -4.82 114.28 107.69 3k1b n THR 245 Ca 0.00 0.59 -0.29 0.00 -2.27 0.00 0.00 64.05 62.07 3k1b n THR 245 Cb 0.00 -1.59 0.02 0.00 -2.10 0.00 0.00 70.33 66.66 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 -1.46 -5.51 -4.47 3.42 5.03 0.27 -5.04 115.26 107.51 3k1b n ASN 246 Ca -0.00 -0.44 -0.23 0.00 0.87 0.00 0.00 54.58 54.77 3k1b n ASN 246 Cb 0.36 -2.09 -0.10 0.00 -1.02 0.00 0.00 39.78 36.93 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 -2.25 1.90 0.04 3.41 2.01 -1.20 -4.97 115.64 114.59 3k1b s THR 247 Ca 0.20 -2.17 0.01 0.00 0.31 0.00 0.00 61.69 60.03 3k1b s THR 247 Cb -0.02 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 3k1b s THR 247 CO 0.87 -0.28 -0.05 -0.44 -0.69 0.00 0.00 174.62 174.03 3k1b s SER 248 N -3.50 0.62 0.00 3.53 0.01 -1.26 -2.25 113.70 110.86 3k1b s SER 248 Ca 0.30 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.91 3k1b s SER 248 Cb 0.03 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.34 3k1b s SER 248 CO 0.13 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.07 3k1b n GLY 249 N 1.13 0.32 2.90 3.44 0.00 -1.20 -3.73 105.19 108.05 3k1b n GLY 249 Ca -0.21 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 3k1b n GLY 249 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k1b s PHE 250 N 0.00 -0.05 -0.91 1.61 2.99 -1.23 -1.20 117.98 119.20 3k1b s PHE 250 Ca 0.00 0.15 -0.24 0.00 0.00 0.00 0.00 56.93 56.84 3k1b s PHE 250 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 43.02 42.99 3k1b s PHE 250 CO 0.00 -0.04 1.68 0.00 -0.00 0.00 0.00 175.22 176.85 3k1b s ALA 251 N 0.26 2.23 0.00 5.36 0.00 -1.14 0.26 121.76 128.74 3k1b s ALA 251 Ca -0.02 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.22 3k1b s ALA 251 Cb -0.03 -4.50 0.00 0.00 0.00 0.00 0.00 23.12 18.59 3k1b s ALA 251 CO -0.01 -4.11 0.00 0.09 0.00 0.00 0.00 175.76 171.73 3k1b n ASN 252 N 11.38 0.00 -3.75 0.00 3.02 -1.26 -3.30 115.26 121.34 3k1b n ASN 252 Ca 0.32 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.75 3k1b n ASN 252 Cb 0.49 0.00 -0.12 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 -2.47 0.26 0.04 3.52 2.36 -1.21 -0.92 119.74 121.32 3k1b s LYS 253 Ca 0.00 0.47 -0.04 0.00 -2.55 0.00 0.00 55.97 53.85 3k1b s LYS 253 Cb 0.00 0.01 -0.02 0.00 -1.05 0.00 0.00 37.83 36.77 3k1b s LYS 253 CO 0.00 -0.10 0.05 0.95 1.55 0.00 0.00 175.35 177.79 3k1b s THR 254 N 0.75 0.15 -0.00 3.43 -4.23 -1.04 0.42 115.64 115.12 3k1b s THR 254 Ca -0.05 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 3k1b s THR 254 Cb -0.06 -0.90 -0.00 0.00 1.34 0.00 0.00 72.50 72.87 3k1b s THR 254 CO -0.05 -0.66 -0.02 -1.10 -0.54 0.00 0.00 174.62 172.25 3k1b s GLN 255 N -2.66 0.14 -0.12 3.99 -0.21 0.83 -3.29 119.66 118.34 3k1b s GLN 255 Ca -0.05 -0.06 -0.07 0.00 0.02 0.00 0.00 55.36 55.21 3k1b s GLN 255 Cb -0.01 -0.14 0.04 0.00 1.00 0.00 0.00 33.01 33.91 3k1b s GLN 255 CO -0.05 0.03 0.29 -0.51 -2.12 0.00 0.00 175.29 172.93 3k1b s ASP 256 N -0.02 -0.32 -0.11 5.90 1.11 -0.85 -1.65 116.67 120.74 3k1b s ASP 256 Ca 0.00 0.61 -0.08 0.00 0.18 0.00 0.00 52.55 53.27 3k1b s ASP 256 Cb -0.01 0.52 0.04 0.00 1.07 0.00 0.00 42.92 44.54 3k1b s ASP 256 CO -0.00 -0.16 0.27 -0.69 1.18 0.00 0.00 175.17 175.77 3k1b s VAL 257 N 1.05 -0.02 -0.07 -1.27 1.01 -0.45 -1.44 120.40 119.21 3k1b s VAL 257 Ca -0.07 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.01 3k1b s VAL 257 Cb -0.08 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.91 3k1b s VAL 257 CO -0.08 0.03 -0.16 -0.76 0.00 0.00 0.00 175.10 174.14 3k1b s LEU 258 N 0.72 1.80 -0.26 3.92 2.01 0.21 -1.10 118.68 125.98 3k1b s LEU 258 Ca -0.05 -0.37 -0.02 0.00 0.01 0.00 0.00 54.13 53.71 3k1b s LEU 258 Cb -0.06 -0.98 0.08 0.00 0.01 0.00 0.00 46.19 45.24 3k1b s LEU 258 CO -0.04 0.09 0.07 -0.76 1.01 0.00 0.00 176.35 176.71 3k1b s LEU 259 N 0.46 1.61 0.11 1.79 1.43 0.55 -0.34 118.68 124.28 3k1b s LEU 259 Ca -0.13 -1.24 0.08 0.00 -1.03 0.00 0.00 54.13 51.81 3k1b s LEU 259 Cb -0.15 -0.70 -0.03 0.00 0.03 0.00 0.00 46.19 45.33 3k1b s LEU 259 CO 0.05 -0.37 -0.19 -0.69 0.23 0.00 0.00 176.35 175.38 3k1b s VAL 260 N 1.77 1.63 -0.30 -1.59 1.01 -0.36 -1.26 120.40 121.29 3k1b s VAL 260 Ca 0.05 -1.56 -0.13 0.00 0.00 0.00 0.00 61.98 60.34 3k1b s VAL 260 Cb -0.17 -1.52 0.14 0.00 0.00 0.00 0.00 36.38 34.84 3k1b s VAL 260 CO -0.19 -0.12 0.82 0.00 0.00 0.00 0.00 175.10 175.61 3k1b s ALA 261 N -1.31 -2.35 0.05 5.51 0.00 -0.98 -1.35 121.76 121.33 3k1b s ALA 261 Ca 0.06 2.21 0.00 0.00 0.00 0.00 0.00 51.96 54.24 3k1b s ALA 261 Cb -0.09 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 3k1b s ALA 261 CO 0.04 -0.89 -0.05 -0.65 0.00 0.00 0.00 175.76 174.21 3k1b s GLN 262 N 2.58 0.53 0.02 0.00 -0.21 0.87 -0.61 119.66 122.85 3k1b s GLN 262 Ca -0.05 -0.94 0.03 0.00 0.02 0.00 0.00 55.36 54.42 3k1b s GLN 262 Cb -0.09 0.01 -0.02 0.00 1.00 0.00 0.00 33.01 33.92 3k1b s GLN 262 CO -0.18 -0.04 -0.09 -0.47 -2.12 0.00 0.00 175.29 172.38 3k1b s TYR 263 N -2.54 0.82 -0.84 0.91 5.04 -0.14 -1.58 117.35 119.01 3k1b s TYR 263 Ca -0.03 -0.30 0.01 0.00 -2.44 0.00 0.00 57.07 54.31 3k1b s TYR 263 Cb -0.02 -0.50 0.29 0.00 0.35 0.00 0.00 41.96 42.08 3k1b s TYR 263 CO -0.04 -0.02 1.15 0.94 -1.34 0.00 0.00 175.55 176.24 3k1b n GLN 264 N 2.17 3.61 -1.31 4.97 -0.06 0.10 -3.06 117.38 123.80 3k1b n GLN 264 Ca -0.17 -4.65 -0.35 0.00 -2.00 0.00 0.00 57.00 49.83 3k1b n GLN 264 Cb 0.56 -2.37 0.10 0.00 -4.06 0.00 0.00 30.24 24.46 3k1b n GLN 264 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 3k1b n PHE 265 N 0.85 0.98 0.42 3.69 3.72 -0.08 -4.83 117.46 122.22 3k1b n PHE 265 Ca 0.30 0.40 0.11 0.00 -0.05 0.00 0.00 57.45 58.21 3k1b n PHE 265 Cb 0.36 -2.11 0.26 0.00 -0.94 0.00 0.00 39.48 37.06 3k1b n PHE 265 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3k1b n ASP 266 N -2.23 3.08 -0.27 4.37 9.92 -1.26 0.11 116.55 130.28 3k1b n ASP 266 Ca 0.13 -1.94 0.13 0.00 -0.53 0.00 0.00 54.79 52.58 3k1b n ASP 266 Cb 0.50 -0.26 0.42 0.00 -0.64 0.00 0.00 41.12 41.13 3k1b n ASP 266 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 3k1b n PHE 267 N 1.22 0.00 0.00 1.24 -1.74 -1.26 -4.99 117.46 111.94 3k1b n PHE 267 Ca 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.08 3k1b n PHE 267 Cb 0.53 -0.11 0.00 0.00 1.52 0.00 0.00 39.48 41.42 3k1b n PHE 267 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3k1b n GLY 268 N 1.31 0.40 3.67 4.97 0.00 0.12 -4.91 105.19 110.75 3k1b n GLY 268 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3k1b n GLY 268 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3k1b n LEU 269 N 0.00 3.41 -2.68 0.99 7.94 -1.25 -2.50 117.00 122.91 3k1b n LEU 269 Ca 0.00 0.43 -0.02 0.00 -1.11 0.00 0.00 56.01 55.32 3k1b n LEU 269 Cb 0.00 -1.48 0.03 0.00 0.53 0.00 0.00 43.42 42.50 3k1b n LEU 269 CO 0.00 -2.13 0.51 -0.60 -1.11 0.00 0.00 177.39 174.06 3k1b s ARG 270 N -4.59 0.14 0.42 1.96 3.52 -0.94 -0.90 118.95 118.56 3k1b s ARG 270 Ca 0.67 -0.12 -0.25 0.00 -0.13 0.00 0.00 55.73 55.90 3k1b s ARG 270 Cb -0.24 -0.00 -0.08 0.00 -1.56 0.00 0.00 34.95 33.07 3k1b s ARG 270 CO 0.57 -0.18 1.24 -1.25 -0.81 0.00 0.00 175.30 174.87 3k1b s PRO 271 N 1.25 3.91 -0.03 5.12 0.04 -1.17 -2.61 135.00 141.50 3k1b s PRO 271 Ca 0.21 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.26 3k1b s PRO 271 Cb 0.11 -2.65 0.02 0.00 0.04 0.00 0.00 34.50 32.02 3k1b s PRO 271 CO -0.12 -0.49 -0.02 0.45 0.04 0.00 0.00 177.00 176.86 3k1b s SER 272 N -0.97 0.59 -0.22 6.66 0.15 0.80 -0.97 113.70 119.73 3k1b s SER 272 Ca 0.59 -0.07 -0.06 0.00 0.70 0.00 0.00 55.95 57.12 3k1b s SER 272 Cb -0.34 -0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 63.68 3k1b s SER 272 CO 0.43 -0.06 0.01 -0.63 1.20 0.00 0.00 173.24 174.20 3k1b s ILE 273 N 0.80 3.92 -0.04 6.45 -1.09 0.22 -2.01 121.20 129.46 3k1b s ILE 273 Ca -0.09 -0.31 0.03 0.00 -2.23 0.00 0.00 60.65 58.05 3k1b s ILE 273 Cb -0.12 -2.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.96 3k1b s ILE 273 CO -0.01 0.40 -0.11 0.00 -1.23 0.00 0.00 174.94 173.98 3k1b s ALA 274 N 1.34 1.07 -0.00 9.38 0.00 0.47 -2.31 121.76 131.70 3k1b s ALA 274 Ca 0.04 -0.42 -0.15 0.00 0.00 0.00 0.00 51.96 51.43 3k1b s ALA 274 Cb -0.15 -0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.60 3k1b s ALA 274 CO 0.01 0.17 0.32 -0.47 0.00 0.00 0.00 175.76 175.79 3k1b s TYR 275 N 0.24 -0.18 -0.28 0.00 5.04 -0.39 0.75 117.35 122.53 3k1b s TYR 275 Ca -0.05 0.23 -0.11 0.00 -2.44 0.00 0.00 57.07 54.70 3k1b s TYR 275 Cb -0.10 0.11 0.11 0.00 0.35 0.00 0.00 41.96 42.42 3k1b s TYR 275 CO 0.01 -0.42 0.64 0.99 -1.34 0.00 0.00 175.55 175.43 3k1b s THR 276 N -1.58 -0.66 -0.13 4.34 2.01 -1.19 0.20 115.64 118.64 3k1b s THR 276 Ca -0.12 0.02 -0.02 0.00 0.31 0.00 0.00 61.69 61.87 3k1b s THR 276 Cb -0.04 -0.96 0.04 0.00 0.01 0.00 0.00 72.50 71.55 3k1b s THR 276 CO 0.03 0.01 0.03 -0.75 -0.69 0.00 0.00 174.62 173.24 3k1b s LYS 277 N 2.47 0.55 -0.08 4.92 2.20 -0.25 -3.00 119.74 126.54 3k1b s LYS 277 Ca -0.07 -0.13 0.05 0.00 -0.36 0.00 0.00 55.97 55.46 3k1b s LYS 277 Cb -0.10 -1.54 -0.01 0.00 -1.51 0.00 0.00 37.83 34.68 3k1b s LYS 277 CO -0.19 -0.49 -0.23 0.45 -0.36 0.00 0.00 175.35 174.53 3k1b s SER 278 N 1.95 3.20 -0.07 1.43 0.15 0.37 -1.35 113.70 119.39 3k1b s SER 278 Ca 0.02 -0.50 -0.03 0.00 0.70 0.00 0.00 55.95 56.15 3k1b s SER 278 Cb -0.15 -1.12 0.04 0.00 -1.71 0.00 0.00 66.02 63.08 3k1b s SER 278 CO -0.07 0.21 0.07 -1.59 1.20 0.00 0.00 173.24 173.06 3k1b s LYS 279 N 0.04 -0.05 0.73 5.44 -2.85 -0.66 0.69 119.74 123.08 3k1b s LYS 279 Ca -0.09 0.29 -0.15 0.00 -1.00 0.00 0.00 55.97 55.02 3k1b s LYS 279 Cb -0.15 -0.77 0.04 0.00 -2.06 0.00 0.00 37.83 34.89 3k1b s LYS 279 CO 0.06 -0.40 1.21 0.00 0.10 0.00 0.00 175.35 176.31 3k1b s ALA 280 N 2.17 2.12 0.06 0.59 0.00 -0.28 -0.12 121.76 126.31 3k1b s ALA 280 Ca 0.04 0.88 0.08 0.00 0.00 0.00 0.00 51.96 52.96 3k1b s ALA 280 Cb -0.13 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 3k1b s ALA 280 CO -0.04 -1.87 -0.22 0.15 0.00 0.00 0.00 175.76 173.78 3k1b s LYS 281 N -3.91 1.35 -1.52 0.00 1.02 0.17 -3.30 119.74 113.54 3k1b s LYS 281 Ca 0.74 -1.04 0.00 0.00 0.02 0.00 0.00 55.97 55.69 3k1b s LYS 281 Cb -0.29 -1.53 0.00 0.00 -0.52 0.00 0.00 37.83 35.49 3k1b s LYS 281 CO 0.45 0.38 0.00 -0.25 -0.92 0.00 0.00 175.35 175.01 3k1b n ASP 282 N 1.58 -4.89 -4.62 2.83 8.00 -1.10 -3.36 116.55 114.99 3k1b n ASP 282 Ca -0.18 0.14 -0.43 0.00 0.71 0.00 0.00 54.79 55.04 3k1b n ASP 282 Cb 0.53 -3.94 -0.03 0.00 -0.02 0.00 0.00 41.12 37.67 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 -2.74 3.17 -0.03 2.53 1.01 -0.83 -4.67 120.40 118.85 3k1b s VAL 283 Ca 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.16 3k1b s VAL 283 Cb 0.00 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 3k1b s VAL 283 CO 0.00 -0.10 0.20 -1.84 0.00 0.00 0.00 175.10 173.36 3k1b n GLU 284 N 8.29 0.00 0.00 2.72 0.00 -1.26 0.12 120.64 130.51 3k1b n GLU 284 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.41 3k1b n GLU 284 Cb 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 31.44 31.71 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 0.80 2.93 0.09 -1.84 0.00 -1.26 -4.76 105.19 101.14 3k1b n GLY 285 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 3k1b n GLY 285 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3k1b h ILE 286 N 0.00 0.94 0.00 -0.61 5.03 0.30 -3.48 117.51 119.68 3k1b h ILE 286 Ca 0.00 -2.56 0.00 0.00 -0.12 0.00 0.00 64.86 62.18 3k1b h ILE 286 Cb 0.00 2.40 0.00 0.00 -3.03 0.00 0.00 36.82 36.19 3k1b h ILE 286 CO 0.00 0.54 0.00 0.61 -0.68 0.00 0.00 178.15 178.62 3k1b n GLY 287 N 1.40 3.76 3.56 5.37 0.00 0.33 -4.57 105.19 115.03 3k1b n GLY 287 Ca -0.07 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 6.42 0.24 1.61 1.11 -1.26 -1.97 116.67 118.82 3k1b s ASP 288 Ca 0.00 -0.05 0.01 0.00 0.18 0.00 0.00 52.55 52.69 3k1b s ASP 288 Cb 0.00 -2.50 -0.05 0.00 1.07 0.00 0.00 42.92 41.44 3k1b s ASP 288 CO 0.00 -1.35 0.08 0.68 1.18 0.00 0.00 175.17 175.76 3k1b s VAL 289 N 4.48 0.52 -0.25 -1.27 -7.23 -1.21 -4.99 120.40 110.45 3k1b s VAL 289 Ca 0.38 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.47 3k1b s VAL 289 Cb -0.09 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 3k1b s VAL 289 CO 0.23 -0.08 0.12 -1.81 -0.31 0.00 0.00 175.10 173.25 3k1b s ASP 290 N -3.27 5.59 -0.16 4.85 1.11 -1.26 -1.12 116.67 122.40 3k1b s ASP 290 Ca 0.36 -0.07 0.18 0.00 0.18 0.00 0.00 52.55 53.20 3k1b s ASP 290 Cb 0.07 -2.01 -0.26 0.00 1.07 0.00 0.00 42.92 41.79 3k1b s ASP 290 CO 0.12 -0.00 0.19 0.18 1.18 0.00 0.00 175.17 176.83 3k1b n LEU 291 N 4.73 0.06 -3.64 1.23 4.77 0.22 -4.84 117.00 119.53 3k1b n LEU 291 Ca -0.15 0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 55.79 3k1b n LEU 291 Cb 0.52 0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 41.93 3k1b n LEU 291 CO 0.33 0.40 0.59 -0.69 -1.33 0.00 0.00 177.39 176.68 3k1b s VAL 292 N -2.69 0.00 -0.03 4.08 1.01 0.10 -4.90 120.40 117.97 3k1b s VAL 292 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 3k1b s VAL 292 Cb 0.08 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.49 3k1b s VAL 292 CO 0.84 0.00 0.04 0.21 0.00 0.00 0.00 175.10 176.20 3k1b s ASN 293 N 1.02 0.74 -0.07 3.32 2.47 -1.26 -0.48 114.94 120.68 3k1b s ASN 293 Ca -0.05 0.05 -0.31 0.00 0.42 0.00 0.00 52.86 52.97 3k1b s ASN 293 Cb -0.04 -0.13 0.12 0.00 -1.45 0.00 0.00 41.25 39.74 3k1b s ASN 293 CO -0.12 -0.20 1.08 -0.72 -3.72 0.00 0.00 177.10 173.42 3k1b s TYR 294 N 1.72 -0.19 -0.09 0.43 -0.85 -1.16 -0.45 117.35 116.76 3k1b s TYR 294 Ca -0.01 0.08 -0.03 0.00 -0.52 0.00 0.00 57.07 56.60 3k1b s TYR 294 Cb -0.12 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.72 3k1b s TYR 294 CO -0.03 -0.39 0.03 -0.06 -1.52 0.00 0.00 175.55 173.58 3k1b s PHE 295 N -2.75 3.26 0.05 -3.49 0.40 -0.91 -3.14 117.98 111.40 3k1b s PHE 295 Ca 0.09 0.26 0.08 0.00 -0.60 0.00 0.00 56.93 56.76 3k1b s PHE 295 Cb -0.00 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.68 3k1b s PHE 295 CO -0.05 0.53 -0.23 -2.00 0.70 0.00 0.00 175.22 174.16 3k1b s GLU 296 N -0.97 1.53 -0.03 0.44 -6.30 3.84 -1.39 118.70 115.81 3k1b s GLU 296 Ca 0.14 -1.05 -0.00 0.00 -2.50 0.00 0.00 54.97 51.56 3k1b s GLU 296 Cb -0.11 -1.71 0.03 0.00 0.00 0.00 0.00 34.13 32.33 3k1b s GLU 296 CO 0.03 0.43 0.02 0.54 0.02 0.00 0.00 175.26 176.31 3k1b s VAL 297 N -0.84 0.07 -0.00 3.70 0.11 -1.06 0.18 120.40 122.55 3k1b s VAL 297 Ca 0.10 0.21 -0.29 0.00 -2.93 0.00 0.00 61.98 59.06 3k1b s VAL 297 Cb -0.09 -0.23 0.11 0.00 -1.53 0.00 0.00 36.38 34.63 3k1b s VAL 297 CO 0.02 0.15 1.27 -0.83 -3.33 0.00 0.00 175.10 172.39 3k1b s GLY 298 N 1.43 -0.26 0.05 6.54 0.00 -0.85 -2.38 107.32 111.85 3k1b s GLY 298 Ca -0.04 0.34 -0.13 0.00 0.00 0.00 0.00 44.72 44.89 3k1b s GLY 298 CO -0.03 2.67 0.30 0.00 0.00 0.00 0.00 173.10 176.04 3k1b s ALA 299 N -2.23 -0.65 -0.04 3.20 0.00 -0.73 -0.14 121.76 121.17 3k1b s ALA 299 Ca 0.21 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.13 3k1b s ALA 299 Cb 0.02 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 3k1b s ALA 299 CO -0.02 -0.43 -0.02 0.99 0.00 0.00 0.00 175.76 176.28 3k1b s THR 300 N -2.69 4.05 -0.35 0.00 2.01 -1.07 -1.97 115.64 115.62 3k1b s THR 300 Ca -0.04 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.49 3k1b s THR 300 Cb -0.00 -2.74 0.10 0.00 0.01 0.00 0.00 72.50 69.87 3k1b s THR 300 CO -0.04 0.49 0.10 -0.47 -0.69 0.00 0.00 174.62 174.01 3k1b s TYR 301 N -0.96 2.87 0.33 4.92 6.04 0.18 -2.22 117.35 128.51 3k1b s TYR 301 Ca 0.16 -2.53 -0.28 0.00 0.04 0.00 0.00 57.07 54.45 3k1b s TYR 301 Cb -0.11 -2.42 -0.10 0.00 -1.04 0.00 0.00 41.96 38.29 3k1b s TYR 301 CO 0.06 -0.90 1.24 0.71 -1.54 0.00 0.00 175.55 175.13 3k1b s TYR 302 N 1.02 3.17 -0.18 4.97 2.02 -1.04 -2.48 117.35 124.82 3k1b s TYR 302 Ca 0.12 1.50 -0.16 0.00 -0.37 0.00 0.00 57.07 58.16 3k1b s TYR 302 Cb -0.19 -3.56 -0.11 0.00 -0.40 0.00 0.00 41.96 37.69 3k1b s TYR 302 CO -0.13 -1.50 -0.01 1.19 -1.57 0.00 0.00 175.55 173.53 3k1b n PHE 303 N 0.79 0.88 -2.48 2.71 3.72 -1.25 -4.80 117.46 117.03 3k1b n PHE 303 Ca 0.00 0.38 0.00 0.00 -0.05 0.00 0.00 57.45 57.78 3k1b n PHE 303 Cb 0.43 -0.93 0.00 0.00 -0.94 0.00 0.00 39.48 38.04 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 -4.50 0.00 0.10 4.37 0.23 -1.26 -4.97 115.26 109.23 3k1b n ASN 304 Ca -0.22 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 53.82 3k1b n ASN 304 Cb 0.51 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 38.49 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 0.24 0.00 -3.83 2.10 -1.98 -3.26 116.57 109.83 3k1b h LYS 305 Ca 0.00 -0.09 -0.16 0.00 -2.00 0.00 0.00 60.65 58.40 3k1b h LYS 305 Cb 0.00 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.29 3k1b h LYS 305 CO 0.00 0.54 -1.24 -0.91 -2.00 0.00 0.00 179.45 175.84 3k1b h ASN 306 N 0.21 0.00 -4.02 7.07 4.21 -1.96 -3.48 115.58 117.61 3k1b h ASN 306 Ca 0.03 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.41 3k1b h ASN 306 Cb 0.67 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.86 3k1b h ASN 306 CO 0.05 0.57 -0.06 0.80 -1.29 0.00 0.00 177.43 177.49 3k1b n MET 307 N -2.96 1.32 0.00 0.81 1.56 -1.23 -1.59 117.12 115.03 3k1b n MET 307 Ca -0.07 -0.76 0.00 0.00 -0.27 0.00 0.00 57.70 56.59 3k1b n MET 307 Cb 0.82 0.08 0.00 0.00 2.15 0.00 0.00 33.22 36.27 3k1b n MET 307 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 3k1b n SER 308 N -1.96 0.00 -3.75 6.12 3.41 0.45 -3.85 113.62 114.03 3k1b n SER 308 Ca -0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 3k1b n SER 308 Cb 0.14 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 3k1b n SER 308 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3k1b s THR 309 N -1.72 0.00 -0.05 6.66 -4.23 -1.03 -0.61 115.64 114.65 3k1b s THR 309 Ca 0.00 -0.66 -0.29 0.00 -1.18 0.00 0.00 61.69 59.56 3k1b s THR 309 Cb 0.00 -1.96 0.10 0.00 1.34 0.00 0.00 72.50 71.98 3k1b s THR 309 CO 0.00 0.00 0.86 -0.72 -0.54 0.00 0.00 174.62 174.22 3k1b s TYR 310 N -3.32 -0.43 0.01 3.99 -0.85 -0.76 0.50 117.35 116.50 3k1b s TYR 310 Ca 0.12 0.53 0.05 0.00 -0.52 0.00 0.00 57.07 57.25 3k1b s TYR 310 Cb -0.02 0.49 -0.02 0.00 0.38 0.00 0.00 41.96 42.79 3k1b s TYR 310 CO 0.02 -0.51 -0.16 0.08 -1.52 0.00 0.00 175.55 173.46 3k1b s VAL 311 N -2.12 1.23 -0.01 -3.49 1.01 -0.83 -0.11 120.40 116.08 3k1b s VAL 311 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3k1b s VAL 311 Cb -0.01 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.33 3k1b s VAL 311 CO -0.02 0.23 0.01 -0.62 0.00 0.00 0.00 175.10 174.70 3k1b s ASP 312 N -0.68 0.02 -0.04 3.32 2.15 -0.28 -1.77 116.67 119.41 3k1b s ASP 312 Ca 0.05 0.01 0.01 0.00 0.43 0.00 0.00 52.55 53.05 3k1b s ASP 312 Cb -0.07 -0.02 0.02 0.00 -0.30 0.00 0.00 42.92 42.55 3k1b s ASP 312 CO 0.00 -0.04 -0.03 -0.47 -0.17 0.00 0.00 175.17 174.46 3k1b s TYR 313 N 0.37 0.55 -0.30 -5.34 5.04 -1.00 -1.25 117.35 115.42 3k1b s TYR 313 Ca -0.03 -0.11 -0.08 0.00 -2.44 0.00 0.00 57.07 54.41 3k1b s TYR 313 Cb -0.04 -0.54 -0.00 0.00 0.35 0.00 0.00 41.96 41.73 3k1b s TYR 313 CO -0.01 -0.16 0.11 0.42 -1.34 0.00 0.00 175.55 174.58 3k1b s ILE 314 N 0.91 4.30 -0.51 3.14 -1.09 -0.22 -2.57 121.20 125.16 3k1b s ILE 314 Ca -0.11 -0.51 -0.18 0.00 -2.23 0.00 0.00 60.65 57.62 3k1b s ILE 314 Cb -0.14 -3.19 0.08 0.00 -1.58 0.00 0.00 42.46 37.63 3k1b s ILE 314 CO -0.01 0.10 0.56 -0.63 -1.23 0.00 0.00 174.94 173.73 3k1b s ILE 315 N 1.57 5.00 -0.42 2.92 1.01 -0.49 -3.16 121.20 127.62 3k1b s ILE 315 Ca 0.04 -0.83 -0.24 0.00 0.00 0.00 0.00 60.65 59.62 3k1b s ILE 315 Cb -0.17 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 38.04 3k1b s ILE 315 CO 0.04 -0.79 0.85 0.21 0.00 0.00 0.00 174.94 175.25 3k1b s ASN 316 N 2.89 6.51 0.00 3.58 3.84 -1.26 -2.15 114.94 128.35 3k1b s ASN 316 Ca 0.10 0.17 0.16 0.00 0.21 0.00 0.00 52.86 53.50 3k1b s ASN 316 Cb -0.22 -2.42 0.95 0.00 -0.55 0.00 0.00 41.25 39.01 3k1b s ASN 316 CO 0.09 -0.92 1.38 0.00 -2.79 0.00 0.00 177.10 174.86 3k1b n GLN 317 N 6.82 0.59 -2.22 0.43 1.13 0.41 -4.80 117.38 119.75 3k1b n GLN 317 Ca 0.04 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.84 3k1b n GLN 317 Cb 0.48 -1.42 0.06 0.00 0.11 0.00 0.00 30.24 29.47 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 -2.00 2.74 0.40 5.09 -1.09 -1.16 -4.84 121.20 120.33 3k1b s ILE 318 Ca 0.24 -0.12 0.04 0.00 -2.23 0.00 0.00 60.65 58.57 3k1b s ILE 318 Cb 0.11 -3.17 -0.03 0.00 -1.58 0.00 0.00 42.46 37.79 3k1b s ILE 318 CO 0.18 -0.18 0.11 1.51 -1.23 0.00 0.00 174.94 175.34 3k1b s ASP 319 N -4.45 2.73 0.00 3.58 -4.77 -1.26 -4.73 116.67 107.77 3k1b s ASP 319 Ca 0.58 -1.62 0.29 0.00 -3.30 0.00 0.00 52.55 48.50 3k1b s ASP 319 Cb -0.11 0.40 1.29 0.00 -1.09 0.00 0.00 42.92 43.42 3k1b s ASP 319 CO 0.46 -0.87 1.93 -1.54 0.70 0.00 0.00 175.17 175.85 3k1b n SER 320 N -1.18 0.09 -0.61 2.11 3.41 -1.26 -2.88 113.62 113.30 3k1b n SER 320 Ca -0.06 0.07 0.09 0.00 -0.26 0.00 0.00 58.87 58.72 3k1b n SER 320 Cb 0.65 -0.31 0.30 0.00 -0.26 0.00 0.00 64.21 64.59 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 -1.35 1.81 -4.60 4.04 8.00 -1.26 -4.92 116.55 118.27 3k1b n ASP 321 Ca 0.11 -1.81 -0.43 0.00 0.71 0.00 0.00 54.79 53.37 3k1b n ASP 321 Cb 0.29 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 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 -1.38 5.67 0.16 -2.24 3.84 -1.14 -4.80 114.94 115.05 3k1b s ASN 322 Ca 0.30 1.56 0.03 0.00 0.21 0.00 0.00 52.86 54.96 3k1b s ASN 322 Cb 0.16 -2.52 0.45 0.00 -0.55 0.00 0.00 41.25 38.79 3k1b s ASN 322 CO 0.23 -1.85 0.78 0.29 -2.79 0.00 0.00 177.10 173.77 3k1b n LYS 323 N 8.59 -0.04 0.01 0.43 4.76 -1.26 -1.33 118.16 129.32 3k1b n LYS 323 Ca 0.26 0.73 0.01 0.00 -2.87 0.00 0.00 58.31 56.44 3k1b n LYS 323 Cb 0.46 -1.19 -0.10 0.00 -1.84 0.00 0.00 35.03 32.35 3k1b n LYS 323 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3k1b n LEU 324 N -4.47 0.58 0.00 -0.35 4.77 -1.26 -4.88 117.00 111.39 3k1b n LEU 324 Ca 0.13 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3k1b n LEU 324 Cb 0.44 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3k1b n LEU 324 CO -0.03 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 3k1b n GLY 325 N 1.42 1.75 0.00 -0.72 0.00 -0.44 -1.94 105.19 105.25 3k1b n GLY 325 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3k1b n GLY 325 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k1b n VAL 326 N -0.03 0.00 -1.37 1.61 0.31 -1.26 -4.77 118.33 112.82 3k1b n VAL 326 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 3k1b n VAL 326 Cb 0.00 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 32.97 3k1b n VAL 326 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k1b n GLY 327 N 0.00 -1.99 0.71 2.92 0.00 -1.26 -4.86 105.19 100.71 3k1b n GLY 327 Ca 0.00 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 0.93 2.79 -4.98 1.61 3.41 0.60 -4.67 113.62 113.30 3k1b n SER 328 Ca 0.10 -1.84 -0.20 0.00 -0.26 0.00 0.00 58.87 56.67 3k1b n SER 328 Cb 0.48 -0.18 0.03 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.06 5.40 0.55 4.04 1.01 0.45 -4.42 116.67 122.63 3k1b s ASP 329 Ca 0.24 -0.12 -0.06 0.00 0.71 0.00 0.00 52.55 53.32 3k1b s ASP 329 Cb 0.14 -0.84 -0.02 0.00 1.01 0.00 0.00 42.92 43.22 3k1b s ASP 329 CO 0.19 -1.02 0.87 -1.81 0.21 0.00 0.00 175.17 173.61 3k1b s ASP 330 N -4.40 5.94 0.02 0.27 1.01 -1.26 -2.32 116.67 115.94 3k1b s ASP 330 Ca 0.56 0.89 0.00 0.00 0.71 0.00 0.00 52.55 54.71 3k1b s ASP 330 Cb -0.10 -2.02 -0.02 0.00 1.01 0.00 0.00 42.92 41.78 3k1b s ASP 330 CO 0.37 -0.84 -0.03 -0.89 0.21 0.00 0.00 175.17 173.98 3k1b s THR 331 N -2.92 0.14 0.12 -1.27 2.01 -1.19 -3.98 115.64 108.56 3k1b s THR 331 Ca 0.51 -0.95 0.09 0.00 0.31 0.00 0.00 61.69 61.65 3k1b s THR 331 Cb -0.10 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 3k1b s THR 331 CO 0.46 -0.51 -0.21 -0.69 -0.69 0.00 0.00 174.62 172.98 3k1b s VAL 332 N -1.55 1.83 -0.15 3.82 1.01 0.95 -1.06 120.40 125.26 3k1b s VAL 332 Ca -0.15 -1.67 -0.01 0.00 0.00 0.00 0.00 61.98 60.16 3k1b s VAL 332 Cb -0.09 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.63 3k1b s VAL 332 CO -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 175.10 174.97 3k1b s ALA 333 N -1.34 1.23 0.27 5.51 0.00 -0.38 0.19 121.76 127.23 3k1b s ALA 333 Ca 0.10 -0.64 -0.15 0.00 0.00 0.00 0.00 51.96 51.27 3k1b s ALA 333 Cb -0.09 -1.04 -0.08 0.00 0.00 0.00 0.00 23.12 21.91 3k1b s ALA 333 CO 0.05 -0.75 0.69 0.08 0.00 0.00 0.00 175.76 175.83 3k1b s VAL 334 N 1.75 4.71 -0.11 0.00 1.01 -1.16 -1.12 120.40 125.47 3k1b s VAL 334 Ca 0.02 0.94 -0.07 0.00 0.00 0.00 0.00 61.98 62.87 3k1b s VAL 334 Cb -0.15 -3.68 0.04 0.00 0.00 0.00 0.00 36.38 32.59 3k1b s VAL 334 CO -0.07 -0.04 0.27 -0.83 0.00 0.00 0.00 175.10 174.42 3k1b s GLY 335 N -2.10 -0.18 -0.21 4.51 0.00 0.84 -3.36 107.32 106.81 3k1b s GLY 335 Ca 0.49 0.92 -0.02 0.00 0.00 0.00 0.00 44.72 46.11 3k1b s GLY 335 CO 0.19 0.99 -0.09 -1.50 0.00 0.00 0.00 173.10 172.69 3k1b s ILE 336 N 0.73 2.94 -0.15 0.90 2.07 -0.73 -1.83 121.20 125.12 3k1b s ILE 336 Ca -0.05 -0.68 0.01 0.00 -1.41 0.00 0.00 60.65 58.52 3k1b s ILE 336 Cb -0.06 -2.33 0.00 0.00 0.13 0.00 0.00 42.46 40.20 3k1b s ILE 336 CO -0.05 0.43 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.55 3k1b s VAL 337 N 1.41 2.43 0.21 4.00 1.01 0.22 -1.71 120.40 127.97 3k1b s VAL 337 Ca 0.05 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.25 3k1b s VAL 337 Cb -0.14 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3k1b s VAL 337 CO -0.06 0.53 0.10 -0.47 0.00 0.00 0.00 175.10 175.19 3k1b s TYR 338 N 0.87 2.99 -0.26 5.22 6.04 -1.14 -0.41 117.35 130.66 3k1b s TYR 338 Ca -0.05 -0.11 -0.27 0.00 0.04 0.00 0.00 57.07 56.68 3k1b s TYR 338 Cb -0.15 -1.39 0.16 0.00 -1.04 0.00 0.00 41.96 39.53 3k1b s TYR 338 CO -0.02 0.54 1.20 1.14 -1.54 0.00 0.00 175.55 176.87 3k1b s GLN 339 N -3.39 0.31 0.00 4.97 -2.07 -0.62 -1.28 119.66 117.59 3k1b s GLN 339 Ca 0.31 0.22 0.00 0.00 -1.82 0.00 0.00 55.36 54.07 3k1b s GLN 339 Cb -0.09 0.15 0.00 0.00 -1.09 0.00 0.00 33.01 31.98 3k1b s GLN 339 CO 0.22 -0.07 0.29 1.97 -1.32 0.00 0.00 175.29 176.38