#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k58 s HIS 0 N 0.00 2.31 -0.26 0.54 2.46 -1.26 -0.84 115.29 118.24 3k58 s HIS 0 Ca 0.00 1.56 -0.18 0.00 0.47 0.00 0.00 55.06 56.92 3k58 s HIS 0 Cb 0.00 -3.39 0.07 0.00 -0.13 0.00 0.00 32.58 29.14 3k58 s HIS 0 CO 0.00 -2.23 0.66 1.41 -2.47 0.00 0.00 174.74 172.12 3k58 s MET 1 N -3.79 0.71 -0.10 2.88 0.00 -0.84 -4.81 119.30 113.35 3k58 s MET 1 Ca 0.73 1.11 0.02 0.00 0.00 0.00 0.00 55.69 57.54 3k58 s MET 1 Cb -0.27 0.20 -0.01 0.00 0.00 0.00 0.00 34.83 34.75 3k58 s MET 1 CO 0.40 -0.13 -0.16 0.00 0.00 0.00 0.00 175.02 175.13 3k58 s ALA 2 N 1.22 2.53 -0.01 4.11 0.00 -1.26 -3.22 121.76 125.13 3k58 s ALA 2 Ca -0.07 -0.93 -0.20 0.00 0.00 0.00 0.00 51.96 50.77 3k58 s ALA 2 Cb -0.05 -1.07 0.04 0.00 0.00 0.00 0.00 23.12 22.03 3k58 s ALA 2 CO -0.13 0.33 0.42 -1.14 0.00 0.00 0.00 175.76 175.24 3k58 s GLN 3 N 0.10 0.81 0.17 0.00 0.74 -0.69 -4.99 119.66 115.80 3k58 s GLN 3 Ca -0.07 -0.11 -0.15 0.00 0.05 0.00 0.00 55.36 55.07 3k58 s GLN 3 Cb -0.15 0.37 -0.07 0.00 1.10 0.00 0.00 33.01 34.26 3k58 s GLN 3 CO 0.05 -0.24 0.59 0.00 -0.55 0.00 0.00 175.29 175.14 3k58 s ALA 4 N -1.50 3.53 0.28 1.58 0.00 -1.26 -0.24 121.76 124.14 3k58 s ALA 4 Ca -0.11 -0.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.61 3k58 s ALA 4 Cb -0.03 -2.60 0.01 0.00 0.00 0.00 0.00 23.12 20.51 3k58 s ALA 4 CO 0.05 0.42 0.63 0.20 0.00 0.00 0.00 175.76 177.06 3k58 s GLY 5 N -1.73 0.22 -0.11 0.00 0.00 0.40 -4.58 107.32 101.53 3k58 s GLY 5 Ca 0.40 -0.59 -0.00 0.00 0.00 0.00 0.00 44.72 44.53 3k58 s GLY 5 CO 0.20 -0.33 -0.08 -0.12 0.00 0.00 0.00 173.10 172.77 3k58 s PHE 6 N -3.80 1.45 0.16 1.90 5.36 -0.21 -0.78 117.98 122.08 3k58 s PHE 6 Ca 0.16 -0.71 -0.32 0.00 -0.96 0.00 0.00 56.93 55.10 3k58 s PHE 6 Cb -0.04 -1.21 -0.10 0.00 -0.34 0.00 0.00 43.02 41.33 3k58 s PHE 6 CO 0.09 -0.50 1.59 0.42 -1.46 0.00 0.00 175.22 175.36 3k58 s ILE 7 N 1.67 2.59 -0.20 3.12 1.01 -0.66 -0.15 121.20 128.58 3k58 s ILE 7 Ca 0.04 0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.95 3k58 s ILE 7 Cb -0.13 -3.26 -0.08 0.00 0.01 0.00 0.00 42.46 39.01 3k58 s ILE 7 CO -0.08 0.03 -0.31 0.18 0.00 0.00 0.00 174.94 174.76 3k58 n LEU 8 N 4.07 1.80 -4.23 2.97 4.77 0.22 -4.84 117.00 121.76 3k58 n LEU 8 Ca 0.14 0.31 -0.18 0.00 -0.03 0.00 0.00 56.01 56.24 3k58 n LEU 8 Cb 0.38 -0.71 -0.11 0.00 -2.33 0.00 0.00 43.42 40.65 3k58 n LEU 8 CO 0.62 0.07 -0.45 0.42 -1.33 0.00 0.00 177.39 176.72 3k58 s THR 9 N -2.64 1.30 0.03 -5.08 -4.23 -1.20 -4.67 115.64 99.15 3k58 s THR 9 Ca -0.30 -1.62 0.09 0.00 -1.18 0.00 0.00 61.69 58.68 3k58 s THR 9 Cb 0.08 -1.43 -0.03 0.00 1.34 0.00 0.00 72.50 72.46 3k58 s THR 9 CO 0.41 -0.36 -0.25 -0.13 -0.54 0.00 0.00 174.62 173.75 3k58 s ARG 10 N -2.43 1.74 0.02 3.99 0.52 -1.26 -1.90 118.95 119.63 3k58 s ARG 10 Ca 0.06 -1.04 -0.09 0.00 -0.52 0.00 0.00 55.73 54.15 3k58 s ARG 10 Cb -0.06 -1.87 0.00 0.00 0.52 0.00 0.00 34.95 33.54 3k58 s ARG 10 CO 0.03 0.49 0.18 -1.01 0.02 0.00 0.00 175.30 175.00 3k58 s HIS 11 N -0.76 0.04 0.03 -0.53 3.76 -0.45 -5.02 115.29 112.37 3k58 s HIS 11 Ca 0.10 -0.20 -0.18 0.00 -0.15 0.00 0.00 55.06 54.64 3k58 s HIS 11 Cb -0.10 -0.03 0.03 0.00 1.11 0.00 0.00 32.58 33.59 3k58 s HIS 11 CO 0.01 -0.38 0.39 1.67 -0.85 0.00 0.00 174.74 175.59 3k58 s TRP 12 N -2.09 -0.25 -0.27 1.40 1.48 -1.26 -1.41 118.94 116.54 3k58 s TRP 12 Ca -0.09 0.23 -0.23 0.00 -1.06 0.00 0.00 56.10 54.95 3k58 s TRP 12 Cb -0.03 0.19 0.08 0.00 -1.16 0.00 0.00 33.47 32.54 3k58 s TRP 12 CO -0.01 -0.54 0.74 -0.98 -4.06 0.00 0.00 176.95 172.10 3k58 s ARG 13 N -2.29 0.79 0.35 3.25 1.70 -0.47 -4.98 118.95 117.29 3k58 s ARG 13 Ca -0.07 1.01 -0.26 0.00 -0.47 0.00 0.00 55.73 55.94 3k58 s ARG 13 Cb -0.01 0.35 -0.09 0.00 -0.57 0.00 0.00 34.95 34.62 3k58 s ARG 13 CO -0.01 -0.11 1.07 -0.51 -1.08 0.00 0.00 175.30 174.66 3k58 s ASP 14 N 0.61 6.99 0.19 -2.89 1.01 -1.26 -0.40 116.67 120.91 3k58 s ASP 14 Ca -0.02 2.14 -0.04 0.00 0.71 0.00 0.00 52.55 55.34 3k58 s ASP 14 Cb -0.05 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 3k58 s ASP 14 CO -0.03 -0.33 0.20 0.42 0.21 0.00 0.00 175.17 175.63 3k58 s THR 15 N -1.43 0.03 0.41 -1.27 -4.23 -0.97 -4.89 115.64 103.29 3k58 s THR 15 Ca 0.52 -1.78 0.08 0.00 -1.18 0.00 0.00 61.69 59.32 3k58 s THR 15 Cb -0.26 -2.24 0.27 0.00 1.34 0.00 0.00 72.50 71.61 3k58 s THR 15 CO 0.33 -0.16 2.05 -0.65 -0.54 0.00 0.00 174.62 175.66 3k58 h PRO 16 N 2.60 0.52 0.00 3.99 0.11 -1.99 -0.33 132.00 136.91 3k58 h PRO 16 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3k58 h PRO 16 Cb 1.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3k58 h PRO 16 CO 0.51 0.35 0.00 1.04 -0.21 0.00 0.00 178.00 179.68 3k58 n GLN 17 N -4.48 0.73 0.00 1.05 3.00 -1.26 -5.01 117.38 111.42 3k58 n GLN 17 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3k58 n GLN 17 Cb 0.09 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.83 3k58 n GLN 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3k58 n GLY 18 N 1.08 2.17 3.66 1.08 0.00 -0.13 -4.87 105.19 108.17 3k58 n GLY 18 Ca 0.19 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 3k58 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k58 s THR 19 N -1.76 4.49 -0.05 2.61 2.01 -1.23 -2.30 115.64 119.41 3k58 s THR 19 Ca 0.00 1.79 -0.25 0.00 0.31 0.00 0.00 61.69 63.54 3k58 s THR 19 Cb 0.00 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 3k58 s THR 19 CO 0.00 -0.14 0.77 -1.61 -0.69 0.00 0.00 174.62 172.94 3k58 s GLU 20 N 3.23 4.47 -0.09 4.92 2.02 0.47 -1.84 118.70 131.87 3k58 s GLU 20 Ca 0.50 1.01 0.04 0.00 0.02 0.00 0.00 54.97 56.53 3k58 s GLU 20 Cb -0.19 -3.45 0.00 0.00 0.10 0.00 0.00 34.13 30.59 3k58 s GLU 20 CO 0.11 0.03 -0.23 0.08 0.02 0.00 0.00 175.26 175.28 3k58 s VAL 21 N 0.86 1.94 0.10 2.63 1.01 -1.26 -1.37 120.40 124.30 3k58 s VAL 21 Ca 0.41 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 3k58 s VAL 21 Cb -0.18 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3k58 s VAL 21 CO 0.20 0.53 -0.01 -0.94 0.00 0.00 0.00 175.10 174.89 3k58 s SER 22 N 0.33 0.65 0.02 3.32 1.04 -0.50 -0.84 113.70 117.72 3k58 s SER 22 Ca -0.17 -1.09 -0.01 0.00 0.48 0.00 0.00 55.95 55.17 3k58 s SER 22 Cb -0.17 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.13 3k58 s SER 22 CO 0.08 -0.61 -0.01 -0.36 0.98 0.00 0.00 173.24 173.31 3k58 s PHE 23 N -3.87 0.26 -0.16 5.02 0.08 0.35 -1.34 117.98 118.31 3k58 s PHE 23 Ca 0.15 -0.54 -0.02 0.00 0.12 0.00 0.00 56.93 56.64 3k58 s PHE 23 Cb 0.07 -0.19 -0.02 0.00 -0.57 0.00 0.00 43.02 42.31 3k58 s PHE 23 CO -0.04 -0.22 -0.08 -1.58 -0.10 0.00 0.00 175.22 173.21 3k58 s TRP 24 N -1.67 2.92 0.06 0.36 0.52 -0.80 -0.43 118.94 119.90 3k58 s TRP 24 Ca -0.14 -0.63 0.07 0.00 0.02 0.00 0.00 56.10 55.42 3k58 s TRP 24 Cb -0.08 -1.96 -0.03 0.00 -1.15 0.00 0.00 33.47 30.25 3k58 s TRP 24 CO -0.02 -0.26 -0.17 -0.51 0.02 0.00 0.00 176.95 176.01 3k58 s LEU 25 N 0.70 2.66 -0.15 2.99 1.43 0.35 -0.61 118.68 126.05 3k58 s LEU 25 Ca -0.04 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.45 3k58 s LEU 25 Cb -0.15 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3k58 s LEU 25 CO 0.02 0.24 0.43 0.00 0.23 0.00 0.00 176.35 177.27 3k58 s ALA 26 N -0.98 3.52 0.33 4.21 0.00 0.78 -0.62 121.76 129.00 3k58 s ALA 26 Ca 0.16 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.82 3k58 s ALA 26 Cb -0.11 -2.61 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 3k58 s ALA 26 CO 0.07 -0.08 0.09 0.95 0.00 0.00 0.00 175.76 176.79 3k58 s THR 27 N 0.83 0.81 0.55 0.00 -4.23 -0.78 -1.04 115.64 111.79 3k58 s THR 27 Ca 0.23 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.98 3k58 s THR 27 Cb -0.15 -2.62 0.32 0.00 1.34 0.00 0.00 72.50 71.39 3k58 s THR 27 CO 0.08 0.00 2.20 0.44 -0.54 0.00 0.00 174.62 176.81 3k58 h ASP 28 N 2.10 0.00 -0.48 3.99 3.32 -1.93 -1.40 116.42 122.02 3k58 h ASP 28 Ca -0.38 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 3k58 h ASP 28 Cb 1.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 3k58 h ASP 28 CO 0.63 0.01 0.03 0.59 -1.72 0.00 0.00 179.24 178.78 3k58 n ASN 29 N -4.11 4.89 0.00 6.45 5.03 -1.26 -4.99 115.26 121.27 3k58 n ASN 29 Ca -0.03 -3.03 0.00 0.00 0.87 0.00 0.00 54.58 52.39 3k58 n ASN 29 Cb 0.09 -0.64 0.00 0.00 -1.02 0.00 0.00 39.78 38.21 3k58 n ASN 29 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3k58 n GLY 30 N 0.07 -2.09 3.77 7.41 0.00 -0.53 -5.00 105.19 108.82 3k58 n GLY 30 Ca 0.27 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 3k58 n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k58 s PRO 31 N -0.27 4.05 -0.07 1.61 0.04 -1.26 -1.87 135.00 137.24 3k58 s PRO 31 Ca 0.00 2.29 -0.01 0.00 0.04 0.00 0.00 61.00 63.32 3k58 s PRO 31 Cb 0.00 -2.86 0.03 0.00 0.04 0.00 0.00 34.50 31.71 3k58 s PRO 31 CO 0.00 -0.47 0.01 -1.17 0.04 0.00 0.00 177.00 175.41 3k58 s LEU 32 N -2.25 0.53 0.13 -3.56 2.96 0.20 -4.93 118.68 111.78 3k58 s LEU 32 Ca 0.55 -0.08 -0.26 0.00 -0.22 0.00 0.00 54.13 54.11 3k58 s LEU 32 Cb -0.41 -0.40 -0.07 0.00 0.50 0.00 0.00 46.19 45.81 3k58 s LEU 32 CO 0.54 -0.21 0.81 -1.58 -1.32 0.00 0.00 176.35 174.59 3k58 s GLN 33 N 2.00 4.58 -0.07 1.98 0.74 -1.26 -0.49 119.66 127.14 3k58 s GLN 33 Ca 0.05 1.19 0.02 0.00 0.05 0.00 0.00 55.36 56.67 3k58 s GLN 33 Cb -0.12 -3.31 0.01 0.00 1.10 0.00 0.00 33.01 30.69 3k58 s GLN 33 CO -0.05 0.44 -0.13 0.08 -0.55 0.00 0.00 175.29 175.08 3k58 s VAL 34 N -0.70 1.23 -0.05 1.34 1.01 0.43 -1.42 120.40 122.24 3k58 s VAL 34 Ca 0.38 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.90 3k58 s VAL 34 Cb -0.23 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 3k58 s VAL 34 CO 0.26 0.38 -0.23 -0.89 0.00 0.00 0.00 175.10 174.62 3k58 s THR 35 N 0.73 1.88 0.58 3.92 2.01 0.12 -0.50 115.64 124.39 3k58 s THR 35 Ca -0.13 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 60.88 3k58 s THR 35 Cb -0.16 -1.59 0.04 0.00 0.01 0.00 0.00 72.50 70.80 3k58 s THR 35 CO 0.03 0.53 0.83 -0.76 -0.69 0.00 0.00 174.62 174.56 3k58 s LEU 36 N -0.14 3.19 0.72 4.42 1.43 -0.02 -1.77 118.68 126.50 3k58 s LEU 36 Ca -0.03 0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 3k58 s LEU 36 Cb -0.13 -2.99 0.02 0.00 0.03 0.00 0.00 46.19 43.12 3k58 s LEU 36 CO 0.03 -1.22 1.07 0.00 0.23 0.00 0.00 176.35 176.46 3k58 s ALA 37 N -2.88 2.65 0.26 4.21 0.00 -1.26 -4.58 121.76 120.16 3k58 s ALA 37 Ca 0.57 -0.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 3k58 s ALA 37 Cb -0.10 -3.12 -0.14 0.00 0.00 0.00 0.00 23.12 19.75 3k58 s ALA 37 CO 0.40 -1.28 1.04 -2.30 0.00 0.00 0.00 175.76 173.62 3k58 n PRO 38 N -3.14 1.31 -5.03 0.00 -0.02 -1.26 -4.70 135.00 122.15 3k58 n PRO 38 Ca 0.07 0.46 -0.32 0.00 -2.02 0.00 0.00 63.50 61.69 3k58 n PRO 38 Cb 0.55 -1.85 -0.16 0.00 -0.02 0.00 0.00 33.50 32.02 3k58 n PRO 38 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3k58 s GLN 39 N -1.27 3.17 0.45 -0.52 -1.52 -0.76 -4.91 119.66 114.29 3k58 s GLN 39 Ca 0.62 -0.80 -0.22 0.00 -1.95 0.00 0.00 55.36 53.01 3k58 s GLN 39 Cb -0.73 -2.44 -0.09 0.00 -0.22 0.00 0.00 33.01 29.54 3k58 s GLN 39 CO 0.58 0.21 1.05 -1.21 -0.25 0.00 0.00 175.29 175.67 3k58 s GLU 40 N 0.31 3.94 -0.09 2.91 2.02 -1.26 -4.16 118.70 122.37 3k58 s GLU 40 Ca -0.15 1.46 -0.08 0.00 0.02 0.00 0.00 54.97 56.22 3k58 s GLU 40 Cb -0.17 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 3k58 s GLU 40 CO 0.07 -0.33 0.19 -1.12 0.02 0.00 0.00 175.26 174.10 3k58 s SER 41 N -1.76 6.47 0.03 -0.19 0.01 0.04 -4.90 113.70 113.39 3k58 s SER 41 Ca 0.63 0.56 0.04 0.00 1.31 0.00 0.00 55.95 58.49 3k58 s SER 41 Cb -0.20 -2.10 -0.02 0.00 0.21 0.00 0.00 66.02 63.92 3k58 s SER 41 CO 0.24 0.38 -0.13 0.54 0.41 0.00 0.00 173.24 174.68 3k58 s VAL 42 N -1.06 1.04 0.21 3.43 0.11 -1.26 -0.46 120.40 122.41 3k58 s VAL 42 Ca 0.17 -0.87 -0.03 0.00 -2.93 0.00 0.00 61.98 58.33 3k58 s VAL 42 Cb -0.13 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.76 3k58 s VAL 42 CO 0.07 0.06 0.20 0.00 -3.33 0.00 0.00 175.10 172.10 3k58 s ALA 43 N -0.72 0.91 0.07 1.54 0.00 -0.53 -4.57 121.76 118.45 3k58 s ALA 43 Ca 0.02 -1.55 0.07 0.00 0.00 0.00 0.00 51.96 50.50 3k58 s ALA 43 Cb -0.07 1.33 -0.03 0.00 0.00 0.00 0.00 23.12 24.35 3k58 s ALA 43 CO 0.01 -0.65 -0.20 -0.06 0.00 0.00 0.00 175.76 174.87 3k58 s PHE 44 N -4.11 1.69 -0.02 0.00 0.08 -0.59 0.20 117.98 115.24 3k58 s PHE 44 Ca 0.36 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 57.04 3k58 s PHE 44 Cb 0.05 -0.97 0.00 0.00 -0.57 0.00 0.00 43.02 41.54 3k58 s PHE 44 CO 0.12 0.13 -0.08 0.42 -0.10 0.00 0.00 175.22 175.71 3k58 s ILE 45 N -0.98 0.69 0.37 0.64 1.01 0.36 -0.76 121.20 122.53 3k58 s ILE 45 Ca 0.06 -0.32 -0.28 0.00 0.00 0.00 0.00 60.65 60.10 3k58 s ILE 45 Cb -0.09 -0.61 -0.11 0.00 0.01 0.00 0.00 42.46 41.66 3k58 s ILE 45 CO 0.03 0.21 1.47 -2.84 0.00 0.00 0.00 174.94 173.81 3k58 s PRO 46 N 0.12 4.13 0.35 2.79 0.02 -1.26 0.24 135.00 141.39 3k58 s PRO 46 Ca -0.02 2.54 0.04 0.00 0.02 0.00 0.00 61.00 63.58 3k58 s PRO 46 Cb -0.07 -2.97 0.68 0.00 0.02 0.00 0.00 34.50 32.15 3k58 s PRO 46 CO 0.00 -0.51 1.97 0.00 -0.33 0.00 0.00 177.00 178.13 3k58 h ALA 47 N 3.03 1.63 0.00 -1.55 0.00 -1.04 -0.97 119.26 120.35 3k58 h ALA 47 Ca -0.51 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3k58 h ALA 47 Cb 1.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3k58 h ALA 47 CO 0.64 0.28 0.00 -0.40 0.00 0.00 0.00 179.25 179.78 3k58 n ASP 48 N -4.47 0.00 -0.69 0.00 5.75 -1.26 -1.84 116.55 114.04 3k58 n ASP 48 Ca 0.10 0.39 0.09 0.00 -0.01 0.00 0.00 54.79 55.36 3k58 n ASP 48 Cb 0.16 -0.44 0.06 0.00 -1.03 0.00 0.00 41.12 39.87 3k58 n ASP 48 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k58 n GLN 49 N -1.44 1.65 -0.31 0.11 6.02 -0.37 -4.58 117.38 118.45 3k58 n GLN 49 Ca 0.05 -1.48 -0.04 0.00 -0.01 0.00 0.00 57.00 55.52 3k58 n GLN 49 Cb 0.16 -1.36 0.08 0.00 1.02 0.00 0.00 30.24 30.13 3k58 n GLN 49 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3k58 h VAL 50 N 3.40 1.23 -0.66 5.09 2.07 -1.34 -0.75 116.25 125.28 3k58 h VAL 50 Ca 0.00 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3k58 h VAL 50 Cb 0.76 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3k58 h VAL 50 CO 0.00 0.23 0.43 -0.65 0.02 0.00 0.00 177.57 177.60 3k58 h PRO 51 N 1.14 0.87 -0.56 1.57 0.11 -1.81 0.12 132.00 133.45 3k58 h PRO 51 Ca 0.30 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.29 3k58 h PRO 51 Cb -0.08 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.81 3k58 h PRO 51 CO -0.06 0.59 0.09 -0.09 -0.21 0.00 0.00 178.00 178.31 3k58 h ARG 52 N 0.90 0.89 -0.83 1.05 2.43 -1.72 -2.22 114.38 114.88 3k58 h ARG 52 Ca 0.24 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3k58 h ARG 52 Cb -0.09 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.30 3k58 h ARG 52 CO -0.05 0.83 0.37 0.00 -1.51 0.00 0.00 179.97 179.61 3k58 h ALA 53 N 1.25 1.07 -0.43 2.80 0.00 -0.09 -1.89 119.26 121.97 3k58 h ALA 53 Ca 0.17 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3k58 h ALA 53 Cb 0.38 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3k58 h ALA 53 CO 0.01 0.66 0.05 1.96 0.00 0.00 0.00 179.25 181.93 3k58 h GLN 54 N 1.19 0.67 -0.25 0.00 1.08 -0.52 -1.88 115.11 115.40 3k58 h GLN 54 Ca 0.28 -0.14 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 3k58 h GLN 54 Cb 0.16 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3k58 h GLN 54 CO -0.03 0.65 0.07 0.45 -0.95 0.00 0.00 178.83 179.03 3k58 h HIS 55 N 0.64 0.40 -0.15 2.96 3.86 -0.77 -1.58 115.15 120.52 3k58 h HIS 55 Ca 0.14 -0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.23 3k58 h HIS 55 Cb 0.33 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 3k58 h HIS 55 CO 0.01 0.46 -0.25 0.82 0.86 0.00 0.00 177.93 179.83 3k58 h ILE 56 N 0.23 1.24 -0.58 2.45 2.04 -1.22 -2.83 117.51 118.84 3k58 h ILE 56 Ca 0.08 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.82 3k58 h ILE 56 Cb 0.24 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3k58 h ILE 56 CO -0.00 0.34 0.00 0.18 0.00 0.00 0.00 178.15 178.67 3k58 n LEU 57 N -4.16 3.42 -4.67 1.44 4.77 -0.72 -4.95 117.00 112.13 3k58 n LEU 57 Ca -0.01 -1.72 -0.46 0.00 -0.03 0.00 0.00 56.01 53.80 3k58 n LEU 57 Cb 0.36 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 3k58 n LEU 57 CO 0.40 0.77 1.20 1.67 -1.33 0.00 0.00 177.39 180.10 3k58 n GLN 58 N 1.16 2.18 -0.00 3.23 -0.06 -0.60 -0.90 117.38 122.39 3k58 n GLN 58 Ca 0.20 0.79 0.00 0.00 -2.00 0.00 0.00 57.00 55.99 3k58 n GLN 58 Cb 0.57 -2.56 0.00 0.00 -4.06 0.00 0.00 30.24 24.20 3k58 n GLN 58 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3k58 n GLY 59 N 3.40 0.73 3.89 1.69 0.00 -1.26 -5.07 105.19 108.57 3k58 n GLY 59 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3k58 n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k58 s GLU 60 N -0.76 3.64 0.24 1.61 0.41 -0.07 -5.10 118.70 118.66 3k58 s GLU 60 Ca 0.00 0.31 0.04 0.00 -0.41 0.00 0.00 54.97 54.90 3k58 s GLU 60 Cb 0.00 -2.39 -0.05 0.00 -1.78 0.00 0.00 34.13 29.91 3k58 s GLU 60 CO 0.00 -0.13 -0.01 -0.65 -0.49 0.00 0.00 175.26 173.99 3k58 s GLN 61 N -4.35 1.36 -0.40 1.61 1.11 -1.26 -4.90 119.66 112.83 3k58 s GLN 61 Ca 0.49 -1.69 -0.00 0.00 0.01 0.00 0.00 55.36 54.17 3k58 s GLN 61 Cb -0.10 -0.65 0.00 0.00 -1.01 0.00 0.00 33.01 31.24 3k58 s GLN 61 CO 0.39 -0.09 0.06 0.41 0.01 0.00 0.00 175.29 176.07 3k58 n GLY 62 N -0.43 0.26 3.30 3.09 0.00 -1.26 -5.00 105.19 105.14 3k58 n GLY 62 Ca -0.05 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 3k58 n GLY 62 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k58 s PHE 63 N -2.42 -0.14 0.05 1.61 -0.12 -1.26 -2.72 117.98 112.98 3k58 s PHE 63 Ca 0.03 -0.20 -0.04 0.00 -0.05 0.00 0.00 56.93 56.67 3k58 s PHE 63 Cb -0.01 0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.56 3k58 s PHE 63 CO 0.04 -0.68 0.07 -0.98 -0.05 0.00 0.00 175.22 173.62 3k58 s ARG 64 N -3.81 0.61 -0.24 1.99 1.70 -0.67 -4.99 118.95 113.54 3k58 s ARG 64 Ca 0.03 -0.90 0.01 0.00 -0.47 0.00 0.00 55.73 54.40 3k58 s ARG 64 Cb 0.02 0.23 0.06 0.00 -0.57 0.00 0.00 34.95 34.70 3k58 s ARG 64 CO -0.12 -0.15 -0.05 -0.51 -1.08 0.00 0.00 175.30 173.40 3k58 s LEU 65 N -2.40 2.69 0.01 -1.89 1.43 -1.25 -0.84 118.68 116.43 3k58 s LEU 65 Ca -0.01 -1.25 0.06 0.00 -1.03 0.00 0.00 54.13 51.90 3k58 s LEU 65 Cb 0.02 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 3k58 s LEU 65 CO -0.07 -0.25 -0.17 0.28 0.23 0.00 0.00 176.35 176.37 3k58 s THR 66 N 1.37 1.37 0.37 5.49 -1.32 -0.22 -4.89 115.64 117.81 3k58 s THR 66 Ca -0.05 -0.89 -0.28 0.00 -1.21 0.00 0.00 61.69 59.26 3k58 s THR 66 Cb -0.19 -1.17 -0.10 0.00 -1.51 0.00 0.00 72.50 69.53 3k58 s THR 66 CO -0.07 0.26 1.38 -2.16 -2.21 0.00 0.00 174.62 171.83 3k58 s PRO 67 N -0.74 4.15 0.14 7.08 0.04 -1.26 0.81 135.00 145.22 3k58 s PRO 67 Ca 0.06 2.36 0.06 0.00 0.04 0.00 0.00 61.00 63.51 3k58 s PRO 67 Cb -0.07 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 3k58 s PRO 67 CO 0.00 -0.42 -0.13 -0.51 0.04 0.00 0.00 177.00 175.99 3k58 s LEU 68 N -2.09 2.47 -1.41 -3.56 1.43 -0.87 -4.81 118.68 109.85 3k58 s LEU 68 Ca 0.53 -0.91 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 3k58 s LEU 68 Cb -0.42 -0.49 0.06 0.00 0.03 0.00 0.00 46.19 45.37 3k58 s LEU 68 CO 0.57 -0.22 2.55 0.00 0.23 0.00 0.00 176.35 179.48 3k58 n ALA 69 N 0.14 7.03 -2.39 4.21 0.00 -1.26 -4.47 120.51 123.76 3k58 n ALA 69 Ca -0.12 -3.93 -0.08 0.00 0.00 0.00 0.00 53.44 49.31 3k58 n ALA 69 Cb 0.59 -2.95 -0.10 0.00 0.00 0.00 0.00 19.45 16.99 3k58 n ALA 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k58 s LEU 70 N -1.47 2.41 0.16 0.00 1.43 -1.26 -4.83 118.68 115.11 3k58 s LEU 70 Ca 0.59 -0.83 0.05 0.00 -1.03 0.00 0.00 54.13 52.90 3k58 s LEU 70 Cb 0.18 0.16 -0.04 0.00 0.03 0.00 0.00 46.19 46.52 3k58 s LEU 70 CO -0.09 -0.50 -0.11 -0.54 0.23 0.00 0.00 176.35 175.35 3k58 s LYS 71 N -3.10 1.10 0.73 1.70 1.02 -0.28 -1.37 119.74 119.55 3k58 s LYS 71 Ca -0.01 -1.47 -0.02 0.00 0.02 0.00 0.00 55.97 54.49 3k58 s LYS 71 Cb 0.02 -0.71 0.13 0.00 -0.52 0.00 0.00 37.83 36.75 3k58 s LYS 71 CO -0.07 0.09 1.01 0.16 -0.92 0.00 0.00 175.35 175.62 3k58 s ASP 72 N -3.19 4.32 0.00 2.83 1.47 -0.27 -1.01 116.67 120.81 3k58 s ASP 72 Ca 0.18 -0.30 0.14 0.00 1.18 0.00 0.00 52.55 53.75 3k58 s ASP 72 Cb 0.02 -0.09 0.68 0.00 -0.34 0.00 0.00 42.92 43.19 3k58 s ASP 72 CO 0.02 -1.88 1.38 0.49 0.68 0.00 0.00 175.17 175.86 3k58 n PHE 73 N -2.87 0.00 -0.02 2.11 3.01 -1.26 -0.47 117.46 117.95 3k58 n PHE 73 Ca 0.15 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.71 3k58 n PHE 73 Cb 0.60 -0.33 0.28 0.00 -0.01 0.00 0.00 39.48 40.03 3k58 n PHE 73 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3k58 n HIS 74 N -1.33 0.84 -1.59 1.38 8.25 -1.26 -4.92 115.22 116.59 3k58 n HIS 74 Ca 0.06 -0.42 -0.15 0.00 -0.26 0.00 0.00 57.72 56.95 3k58 n HIS 74 Cb 0.12 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 3k58 n HIS 74 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3k58 n ARG 75 N 1.37 -1.05 -3.36 -0.41 1.74 0.38 -5.01 116.66 110.32 3k58 n ARG 75 Ca 0.21 0.95 -0.38 0.00 -0.77 0.00 0.00 57.85 57.87 3k58 n ARG 75 Cb 0.54 -5.11 -0.06 0.00 -1.02 0.00 0.00 32.46 26.80 3k58 n ARG 75 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3k58 s GLN 76 N -3.53 4.30 0.52 5.56 2.00 -1.25 -4.79 119.66 122.46 3k58 s GLN 76 Ca 0.00 0.35 -0.22 0.00 -2.00 0.00 0.00 55.36 53.49 3k58 s GLN 76 Cb 0.00 -3.45 -0.06 0.00 0.80 0.00 0.00 33.01 30.30 3k58 s GLN 76 CO 0.00 0.14 1.26 -2.30 -0.50 0.00 0.00 175.29 173.89 3k58 n PRO 77 N 3.78 1.62 -4.45 1.67 -0.02 -1.26 -1.12 135.00 135.23 3k58 n PRO 77 Ca -0.08 0.59 -0.23 0.00 -2.02 0.00 0.00 63.50 61.76 3k58 n PRO 77 Cb 0.52 -2.44 -0.10 0.00 -0.02 0.00 0.00 33.50 31.46 3k58 n PRO 77 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k58 s VAL 78 N -1.30 2.33 -0.01 -1.45 -7.23 -0.47 -0.41 120.40 111.86 3k58 s VAL 78 Ca 0.69 -2.37 0.03 0.00 -1.81 0.00 0.00 61.98 58.52 3k58 s VAL 78 Cb -0.45 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 3k58 s VAL 78 CO 0.52 -0.44 -0.08 -0.31 -0.31 0.00 0.00 175.10 174.47 3k58 s TYR 79 N -2.60 2.85 -0.06 2.82 2.02 0.14 -2.04 117.35 120.48 3k58 s TYR 79 Ca 0.28 -0.06 -0.20 0.00 -0.37 0.00 0.00 57.07 56.73 3k58 s TYR 79 Cb -0.04 -1.62 -0.05 0.00 -0.40 0.00 0.00 41.96 39.86 3k58 s TYR 79 CO 0.13 0.34 0.56 0.20 -1.57 0.00 0.00 175.55 175.21 3k58 s GLY 80 N -1.25 2.52 -0.33 0.71 0.00 0.24 -0.48 107.32 108.73 3k58 s GLY 80 Ca 0.15 -0.05 -0.09 0.00 0.00 0.00 0.00 44.72 44.73 3k58 s GLY 80 CO 0.06 0.81 0.15 -2.27 0.00 0.00 0.00 173.10 171.84 3k58 s LEU 81 N 0.28 4.22 -0.16 0.66 2.96 0.13 -1.05 118.68 125.73 3k58 s LEU 81 Ca 0.30 -0.74 -0.03 0.00 -0.22 0.00 0.00 54.13 53.44 3k58 s LEU 81 Cb -0.17 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 3k58 s LEU 81 CO 0.14 -0.25 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.56 3k58 s TYR 82 N 1.55 2.98 0.05 5.38 2.02 -0.02 -1.46 117.35 127.86 3k58 s TYR 82 Ca 0.03 -0.43 0.09 0.00 -0.37 0.00 0.00 57.07 56.39 3k58 s TYR 82 Cb -0.18 -1.96 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 3k58 s TYR 82 CO 0.05 -0.13 -0.25 0.00 -1.57 0.00 0.00 175.55 173.65 3k58 n ARG 84 N 1.70 0.21 -4.19 0.00 5.12 -1.10 -0.78 116.66 117.62 3k58 n ARG 84 Ca -0.17 0.34 -0.16 0.00 -1.93 0.00 0.00 57.85 55.93 3k58 n ARG 84 Cb 0.52 -1.84 -0.13 0.00 -1.16 0.00 0.00 32.46 29.86 3k58 n ARG 84 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3k58 s ALA 85 N -3.23 0.75 0.15 7.54 0.00 -1.26 -3.50 121.76 122.21 3k58 s ALA 85 Ca 0.07 -0.65 -0.09 0.00 0.00 0.00 0.00 51.96 51.29 3k58 s ALA 85 Cb 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 3k58 s ALA 85 CO 0.46 0.10 1.44 1.25 0.00 0.00 0.00 175.76 179.01 3k58 h HIS 86 N 5.05 0.97 -0.71 0.00 2.76 -1.91 -1.87 115.15 119.44 3k58 h HIS 86 Ca -0.35 -0.35 -0.01 0.00 -2.20 0.00 0.00 60.37 57.47 3k58 h HIS 86 Cb 1.19 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.94 3k58 h HIS 86 CO 0.54 1.15 0.39 -0.09 -1.30 0.00 0.00 177.93 178.62 3k58 h ARG 87 N 0.59 0.98 -0.50 5.26 2.43 -1.98 0.14 114.38 121.30 3k58 h ARG 87 Ca 0.01 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3k58 h ARG 87 Cb 1.14 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 3k58 h ARG 87 CO 0.12 0.71 0.29 0.37 -1.51 0.00 0.00 179.97 179.96 3k58 h GLN 88 N 0.99 0.68 -0.87 0.20 4.15 -1.94 -0.15 115.11 118.18 3k58 h GLN 88 Ca 0.25 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.58 3k58 h GLN 88 Cb 0.02 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.52 3k58 h GLN 88 CO -0.04 0.51 0.44 1.25 -1.93 0.00 0.00 178.83 179.05 3k58 h LEU 89 N 0.67 1.12 -0.74 -2.39 5.85 -0.34 -0.84 115.31 118.64 3k58 h LEU 89 Ca 0.18 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3k58 h LEU 89 Cb 0.01 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 3k58 h LEU 89 CO -0.03 0.92 0.36 0.24 -0.34 0.00 0.00 178.44 179.59 3k58 h MET 90 N 1.23 1.07 -0.37 1.25 2.86 -0.06 -0.87 114.93 120.04 3k58 h MET 90 Ca 0.30 -0.16 -0.10 0.00 -2.06 0.00 0.00 59.70 57.68 3k58 h MET 90 Cb 0.09 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3k58 h MET 90 CO -0.04 0.83 -0.16 -0.91 1.06 0.00 0.00 176.91 177.69 3k58 h ASN 91 N 1.04 0.79 -0.47 1.22 2.35 -0.58 -2.94 115.58 116.99 3k58 h ASN 91 Ca 0.25 -0.40 -0.05 0.00 -0.55 0.00 0.00 56.30 55.55 3k58 h ASN 91 Cb 0.12 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 3k58 h ASN 91 CO -0.03 1.01 0.12 1.88 -1.65 0.00 0.00 177.43 178.76 3k58 h TYR 92 N 0.56 0.84 -0.38 1.19 0.05 -0.90 -1.98 116.97 116.35 3k58 h TYR 92 Ca 0.08 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3k58 h TYR 92 Cb 0.71 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 3k58 h TYR 92 CO 0.06 0.71 0.22 1.49 -1.05 0.00 0.00 178.16 179.58 3k58 h GLU 93 N 0.78 0.52 -0.23 4.88 4.22 -1.10 0.44 114.58 124.10 3k58 h GLU 93 Ca 0.17 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.55 3k58 h GLU 93 Cb 0.30 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3k58 h GLU 93 CO 0.00 0.42 0.13 -0.22 -2.18 0.00 0.00 179.01 177.16 3k58 h LYS 94 N 0.49 0.32 -0.20 1.92 3.64 -1.32 0.12 116.57 121.53 3k58 h LYS 94 Ca 0.13 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3k58 h LYS 94 Cb 0.04 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3k58 h LYS 94 CO -0.02 0.27 0.11 0.00 -2.27 0.00 0.00 179.45 177.54 3k58 h ARG 95 N 0.27 0.28 -0.24 1.90 3.08 -1.06 0.33 114.38 118.95 3k58 h ARG 95 Ca 0.08 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3k58 h ARG 95 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3k58 h ARG 95 CO -0.01 0.28 0.03 -0.07 -1.07 0.00 0.00 179.97 179.12 3k58 h LEU 96 N 0.21 0.39 -0.28 3.04 3.38 0.07 -0.23 115.31 121.89 3k58 h LEU 96 Ca 0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3k58 h LEU 96 Cb 0.08 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3k58 h LEU 96 CO -0.01 0.56 0.13 -0.09 0.09 0.00 0.00 178.44 179.12 3k58 h ARG 97 N 0.20 0.40 -0.57 1.13 2.43 -0.75 -0.06 114.38 117.16 3k58 h ARG 97 Ca 0.07 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3k58 h ARG 97 Cb 0.35 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 3k58 h ARG 97 CO 0.01 0.39 0.38 0.93 -1.51 0.00 0.00 179.97 180.17 3k58 h GLU 98 N 0.31 0.62 -0.00 0.20 5.08 -0.88 -1.45 114.58 118.46 3k58 h GLU 98 Ca 0.09 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3k58 h GLU 98 Cb 0.13 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3k58 h GLU 98 CO -0.01 0.41 0.00 0.41 -1.00 0.00 0.00 179.01 178.82 3k58 n GLY 99 N -1.47 -0.99 1.30 -3.84 0.00 -0.10 -4.86 105.19 95.22 3k58 n GLY 99 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3k58 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k58 n GLY 100 N 0.60 0.67 3.68 -0.02 0.00 -0.54 -5.02 105.19 104.55 3k58 n GLY 100 Ca 0.05 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3k58 n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k58 s VAL 101 N -2.00 4.92 0.01 1.61 1.01 -0.18 -5.00 120.40 120.76 3k58 s VAL 101 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 3k58 s VAL 101 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3k58 s VAL 101 CO 0.00 0.49 1.05 -0.89 0.00 0.00 0.00 175.10 175.75 3k58 s THR 102 N 0.06 4.62 -0.08 3.92 2.01 -1.26 -3.55 115.64 121.36 3k58 s THR 102 Ca 0.06 1.88 0.01 0.00 0.31 0.00 0.00 61.69 63.96 3k58 s THR 102 Cb -0.12 -4.21 0.02 0.00 0.01 0.00 0.00 72.50 68.20 3k58 s THR 102 CO 0.00 0.13 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.28 3k58 s VAL 103 N 1.13 1.00 0.03 3.82 1.01 -1.26 -4.21 120.40 121.92 3k58 s VAL 103 Ca 0.54 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.18 3k58 s VAL 103 Cb -0.23 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3k58 s VAL 103 CO 0.27 0.34 0.03 -0.31 0.00 0.00 0.00 175.10 175.44 3k58 s TYR 104 N 1.04 3.13 -2.07 5.22 2.02 0.06 -4.67 117.35 122.08 3k58 s TYR 104 Ca -0.08 0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 3k58 s TYR 104 Cb -0.15 -1.65 0.00 0.00 -0.40 0.00 0.00 41.96 39.77 3k58 s TYR 104 CO -0.01 0.50 0.00 0.39 -1.57 0.00 0.00 175.55 174.86 3k58 n GLU 105 N 0.99 -1.51 0.18 -0.62 1.02 -1.26 -1.54 120.64 117.89 3k58 n GLU 105 Ca -0.12 1.16 0.14 0.00 -0.02 0.00 0.00 57.16 58.32 3k58 n GLU 105 Cb 0.52 -5.63 0.49 0.00 -0.02 0.00 0.00 31.44 26.80 3k58 n GLU 105 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k58 h ALA 106 N 0.32 1.00 0.00 0.62 0.00 -1.83 -2.99 119.26 116.38 3k58 h ALA 106 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3k58 h ALA 106 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3k58 h ALA 106 CO 0.61 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.46 3k58 n ASP 107 N -2.63 0.28 -4.64 0.00 5.75 -1.26 -4.77 116.55 109.28 3k58 n ASP 107 Ca 0.03 0.54 -0.43 0.00 -0.01 0.00 0.00 54.79 54.92 3k58 n ASP 107 Cb 0.34 -0.61 -0.02 0.00 -1.03 0.00 0.00 41.12 39.80 3k58 n ASP 107 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3k58 s VAL 108 N -3.07 4.36 0.63 2.12 1.01 -1.13 -5.01 120.40 119.31 3k58 s VAL 108 Ca 0.10 1.57 -0.15 0.00 0.00 0.00 0.00 61.98 63.50 3k58 s VAL 108 Cb 0.14 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 3k58 s VAL 108 CO 0.46 -0.46 1.07 -0.13 0.00 0.00 0.00 175.10 176.04 3k58 s ARG 109 N 3.83 3.11 0.20 2.72 1.81 -1.26 -4.79 118.95 124.56 3k58 s ARG 109 Ca 0.50 1.22 -0.12 0.00 -1.72 0.00 0.00 55.73 55.61 3k58 s ARG 109 Cb -0.14 -2.00 0.23 0.00 -0.45 0.00 0.00 34.95 32.59 3k58 s ARG 109 CO 0.18 -0.98 1.71 -1.35 -0.68 0.00 0.00 175.30 174.18 3k58 h PRO 110 N 0.15 0.23 -0.40 3.54 0.11 -1.97 -0.34 132.00 133.31 3k58 h PRO 110 Ca -0.46 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3k58 h PRO 110 Cb 1.23 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3k58 h PRO 110 CO 0.56 0.15 0.15 -1.35 -0.21 0.00 0.00 178.00 177.30 3k58 h PRO 111 N 0.24 0.61 -0.46 1.05 0.11 -1.94 -2.45 132.00 129.16 3k58 h PRO 111 Ca 0.27 -0.12 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 3k58 h PRO 111 Cb 0.39 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 3k58 h PRO 111 CO -0.36 0.59 0.10 0.93 -0.21 0.00 0.00 178.00 179.04 3k58 h GLU 112 N 0.50 0.69 -0.34 1.05 3.07 -1.87 -2.17 114.58 115.52 3k58 h GLU 112 Ca 0.13 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3k58 h GLU 112 Cb 0.22 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 3k58 h GLU 112 CO -0.01 0.64 0.15 -0.09 -1.40 0.00 0.00 179.01 178.30 3k58 h ARG 113 N 0.67 0.51 -0.02 2.33 9.65 -0.81 -0.01 114.38 126.71 3k58 h ARG 113 Ca 0.15 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 58.94 3k58 h ARG 113 Cb 0.27 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.77 3k58 h ARG 113 CO -0.00 0.49 0.01 -0.92 2.80 0.00 0.00 179.97 182.35 3k58 h TYR 114 N 0.41 0.03 -0.29 2.20 3.20 -1.23 -2.87 116.97 118.41 3k58 h TYR 114 Ca 0.12 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 3k58 h TYR 114 Cb 0.16 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3k58 h TYR 114 CO -0.01 0.17 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.60 3k58 h LEU 115 N -0.12 0.51 -0.40 2.82 3.38 -1.34 -3.17 115.31 116.99 3k58 h LEU 115 Ca 0.01 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.70 3k58 h LEU 115 Cb 0.15 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3k58 h LEU 115 CO -0.00 0.70 0.18 -0.03 0.09 0.00 0.00 178.44 179.38 3k58 h MET 116 N 0.30 0.37 0.00 1.13 4.05 -1.03 -1.16 114.93 118.58 3k58 h MET 116 Ca 0.08 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 3k58 h MET 116 Cb 0.44 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 3k58 h MET 116 CO 0.02 0.24 0.00 0.39 0.23 0.00 0.00 176.91 177.79 3k58 n GLU 117 N -4.95 0.22 -0.62 0.39 -0.58 -1.08 -2.34 120.64 111.68 3k58 n GLU 117 Ca 0.02 0.37 0.09 0.00 -0.42 0.00 0.00 57.16 57.21 3k58 n GLU 117 Cb 0.11 -1.86 0.35 0.00 -0.57 0.00 0.00 31.44 29.46 3k58 n GLU 117 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3k58 n ARG 118 N -2.27 3.79 -3.15 3.49 1.74 -0.77 -4.93 116.66 114.56 3k58 n ARG 118 Ca 0.03 -2.88 -0.23 0.00 -0.77 0.00 0.00 57.85 54.00 3k58 n ARG 118 Cb 0.29 -1.91 0.03 0.00 -1.02 0.00 0.00 32.46 29.85 3k58 n ARG 118 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3k58 n PHE 119 N 0.88 -2.00 -4.13 -1.55 3.72 -0.99 -4.46 117.46 108.93 3k58 n PHE 119 Ca 0.25 0.55 -0.35 0.00 -0.05 0.00 0.00 57.45 57.85 3k58 n PHE 119 Cb 0.91 -4.21 -0.09 0.00 -0.94 0.00 0.00 39.48 35.16 3k58 n PHE 119 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3k58 s ILE 120 N -3.14 4.75 0.00 4.37 1.01 -0.51 -4.73 121.20 122.95 3k58 s ILE 120 Ca 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.93 3k58 s ILE 120 Cb -0.16 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.24 3k58 s ILE 120 CO 0.43 0.56 0.00 0.35 0.00 0.00 0.00 174.94 176.28 3k58 n THR 121 N 2.59 0.00 0.00 2.92 -2.24 -1.26 -4.30 114.28 111.99 3k58 n THR 121 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3k58 n THR 121 Cb 0.53 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 3k58 n THR 121 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3k58 n SER 122 N -0.61 1.41 -4.72 3.42 7.64 -1.26 -4.91 113.62 114.59 3k58 n SER 122 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 3k58 n SER 122 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 3k58 n SER 122 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3k58 s PRO 123 N -1.95 4.40 0.09 1.43 0.02 -1.26 -1.65 135.00 136.08 3k58 s PRO 123 Ca 0.00 1.92 -0.04 0.00 0.02 0.00 0.00 61.00 62.89 3k58 s PRO 123 Cb 0.00 -3.28 -0.02 0.00 0.02 0.00 0.00 34.50 31.21 3k58 s PRO 123 CO 0.00 -0.30 0.10 0.14 -0.33 0.00 0.00 177.00 176.61 3k58 s VAL 124 N 0.85 0.15 -0.12 3.83 -7.23 0.04 -1.19 120.40 116.73 3k58 s VAL 124 Ca 0.60 -1.58 -0.02 0.00 -1.81 0.00 0.00 61.98 59.16 3k58 s VAL 124 Cb -0.33 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 3k58 s VAL 124 CO 0.31 -0.69 -0.04 0.26 -0.31 0.00 0.00 175.10 174.63 3k58 s TRP 125 N -3.94 3.01 -0.03 2.82 0.52 0.51 -0.45 118.94 121.38 3k58 s TRP 125 Ca 0.11 -0.16 0.06 0.00 0.02 0.00 0.00 56.10 56.13 3k58 s TRP 125 Cb 0.06 -1.86 -0.01 0.00 -1.15 0.00 0.00 33.47 30.51 3k58 s TRP 125 CO -0.07 0.13 -0.20 0.54 0.02 0.00 0.00 176.95 177.37 3k58 s VAL 126 N -0.12 1.64 0.06 4.03 0.11 0.66 -1.51 120.40 125.27 3k58 s VAL 126 Ca 0.02 -0.86 0.05 0.00 -2.93 0.00 0.00 61.98 58.26 3k58 s VAL 126 Cb -0.13 -1.38 -0.03 0.00 -1.53 0.00 0.00 36.38 33.32 3k58 s VAL 126 CO 0.03 0.46 -0.14 -1.61 -3.33 0.00 0.00 175.10 170.51 3k58 s GLU 127 N -0.30 0.85 0.00 1.54 2.02 -0.05 -1.70 118.70 121.05 3k58 s GLU 127 Ca 0.03 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.14 3k58 s GLU 127 Cb -0.10 -0.85 0.00 0.00 0.10 0.00 0.00 34.13 33.28 3k58 s GLU 127 CO 0.01 0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.89 3k58 n GLY 128 N 1.51 -0.89 3.44 -1.39 0.00 -1.20 -0.16 105.19 106.50 3k58 n GLY 128 Ca -0.20 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 3k58 n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k58 s ASP 129 N -4.00 5.12 0.21 1.61 1.01 0.25 -1.98 116.67 118.89 3k58 s ASP 129 Ca 0.00 -0.21 -0.30 0.00 0.71 0.00 0.00 52.55 52.75 3k58 s ASP 129 Cb 0.00 -1.92 -0.10 0.00 1.01 0.00 0.00 42.92 41.91 3k58 s ASP 129 CO 0.00 -0.03 1.46 -0.32 0.21 0.00 0.00 175.17 176.49 3k58 s MET 130 N 1.60 4.27 -0.21 8.23 -2.45 -0.02 -0.84 119.30 129.88 3k58 s MET 130 Ca 0.06 2.28 -0.04 0.00 -1.25 0.00 0.00 55.69 56.75 3k58 s MET 130 Cb -0.15 -3.14 0.10 0.00 1.25 0.00 0.00 34.83 32.89 3k58 s MET 130 CO 0.03 -0.46 0.23 -1.58 1.05 0.00 0.00 175.02 174.29 3k58 s HIS 131 N 0.39 -0.28 -1.57 4.11 2.46 0.17 -4.30 115.29 116.27 3k58 s HIS 131 Ca 0.62 0.17 -0.13 0.00 0.47 0.00 0.00 55.06 56.20 3k58 s HIS 131 Cb -0.42 -0.38 0.10 0.00 -0.13 0.00 0.00 32.58 31.75 3k58 s HIS 131 CO 0.39 -0.63 0.80 0.09 -2.47 0.00 0.00 174.74 172.91 3k58 n ASN 132 N 5.32 -3.25 0.00 9.88 5.03 -1.26 -0.97 115.26 130.01 3k58 n ASN 132 Ca -0.05 -0.91 0.00 0.00 0.87 0.00 0.00 54.58 54.49 3k58 n ASN 132 Cb 0.49 -3.31 0.00 0.00 -1.02 0.00 0.00 39.78 35.95 3k58 n ASN 132 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3k58 n GLY 133 N -1.61 1.62 3.63 7.41 0.00 -1.26 -5.03 105.19 109.95 3k58 n GLY 133 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 3k58 n GLY 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k58 s THR 134 N -3.12 3.44 -0.26 2.61 -4.23 -0.14 -4.59 115.64 109.34 3k58 s THR 134 Ca 0.00 -1.75 -0.12 0.00 -1.18 0.00 0.00 61.69 58.64 3k58 s THR 134 Cb 0.00 -2.78 -0.05 0.00 1.34 0.00 0.00 72.50 71.01 3k58 s THR 134 CO 0.00 -0.25 0.22 -0.63 -0.54 0.00 0.00 174.62 173.42 3k58 s ILE 135 N -2.04 5.30 0.32 2.99 -1.09 -0.50 0.45 121.20 126.62 3k58 s ILE 135 Ca 0.29 0.27 0.09 0.00 -2.23 0.00 0.00 60.65 59.07 3k58 s ILE 135 Cb -0.08 -3.56 -0.05 0.00 -1.58 0.00 0.00 42.46 37.20 3k58 s ILE 135 CO 0.18 0.27 0.06 0.68 -1.23 0.00 0.00 174.94 174.90 3k58 s VAL 136 N 1.54 2.95 -1.43 2.92 -7.23 -0.02 0.13 120.40 119.27 3k58 s VAL 136 Ca 0.09 -1.86 -0.08 0.00 -1.81 0.00 0.00 61.98 58.32 3k58 s VAL 136 Cb -0.15 -2.87 0.04 0.00 0.56 0.00 0.00 36.38 33.96 3k58 s VAL 136 CO 0.08 -0.23 0.62 0.59 -0.31 0.00 0.00 175.10 175.85 3k58 n ASN 137 N -1.01 -4.94 -4.78 4.85 5.03 -1.02 -0.59 115.26 112.80 3k58 n ASN 137 Ca -0.04 -0.40 -0.33 0.00 0.87 0.00 0.00 54.58 54.68 3k58 n ASN 137 Cb 0.61 -4.01 0.03 0.00 -1.02 0.00 0.00 39.78 35.39 3k58 n ASN 137 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k58 s ALA 138 N -3.09 2.58 -0.03 5.41 0.00 -0.73 -4.56 121.76 121.33 3k58 s ALA 138 Ca 0.40 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.93 3k58 s ALA 138 Cb -0.20 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.63 3k58 s ALA 138 CO 0.49 -1.07 -0.07 1.03 0.00 0.00 0.00 175.76 176.15 3k58 s ARG 139 N -3.95 0.85 0.08 0.00 0.52 0.78 -4.62 118.95 112.61 3k58 s ARG 139 Ca 0.67 -0.20 0.08 0.00 -0.52 0.00 0.00 55.73 55.76 3k58 s ARG 139 Cb -0.20 -0.82 -0.03 0.00 0.52 0.00 0.00 34.95 34.42 3k58 s ARG 139 CO 0.38 0.02 -0.22 -0.51 0.02 0.00 0.00 175.30 174.99 3k58 s LEU 140 N 0.49 2.24 0.04 2.53 1.43 -1.26 -0.87 118.68 123.27 3k58 s LEU 140 Ca -0.07 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.40 3k58 s LEU 140 Cb -0.11 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 3k58 s LEU 140 CO 0.00 0.14 -0.01 -1.59 0.23 0.00 0.00 176.35 175.12 3k58 s LYS 141 N -1.57 0.55 0.43 1.70 -2.85 -0.57 -4.97 119.74 112.47 3k58 s LYS 141 Ca 0.08 -1.05 -0.26 0.00 -1.00 0.00 0.00 55.97 53.75 3k58 s LYS 141 Cb -0.10 0.19 -0.09 0.00 -2.06 0.00 0.00 37.83 35.78 3k58 s LYS 141 CO 0.03 -0.10 1.45 -2.14 0.10 0.00 0.00 175.35 174.68 3k58 s PRO 142 N -3.30 3.80 -0.17 1.78 0.02 -1.26 -0.36 135.00 135.51 3k58 s PRO 142 Ca 0.01 2.47 -0.02 0.00 0.02 0.00 0.00 61.00 63.47 3k58 s PRO 142 Cb 0.03 -2.74 -0.02 0.00 0.02 0.00 0.00 34.50 31.80 3k58 s PRO 142 CO -0.08 -0.75 -0.07 -1.58 -0.33 0.00 0.00 177.00 174.20 3k58 s HIS 143 N -1.18 2.93 0.31 6.54 2.46 -0.33 -4.55 115.29 121.47 3k58 s HIS 143 Ca 0.59 -0.61 0.03 0.00 0.47 0.00 0.00 55.06 55.54 3k58 s HIS 143 Cb -0.45 -1.96 0.62 0.00 -0.13 0.00 0.00 32.58 30.66 3k58 s HIS 143 CO 0.58 -0.25 1.86 -1.00 -2.47 0.00 0.00 174.74 173.46 3k58 h PRO 144 N 7.12 0.89 0.00 2.88 0.13 -1.95 -3.39 132.00 137.68 3k58 h PRO 144 Ca -0.32 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3k58 h PRO 144 Cb 1.19 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3k58 h PRO 144 CO 0.59 0.59 0.00 -0.40 -0.23 0.00 0.00 178.00 178.56 3k58 n ASP 145 N -4.58 0.00 -4.73 1.44 5.68 -1.26 -5.11 116.55 107.99 3k58 n ASP 145 Ca 0.17 -1.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.05 3k58 n ASP 145 Cb 0.35 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.31 3k58 n ASP 145 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3k58 s TYR 146 N 0.00 2.89 -0.05 2.11 5.04 -1.26 -5.01 117.35 121.07 3k58 s TYR 146 Ca 0.00 0.55 0.02 0.00 -2.44 0.00 0.00 57.07 55.19 3k58 s TYR 146 Cb 0.00 -4.07 0.02 0.00 0.35 0.00 0.00 41.96 38.26 3k58 s TYR 146 CO 0.00 -3.89 -0.09 1.03 -1.34 0.00 0.00 175.55 171.26 3k58 s ARG 147 N 0.62 1.32 0.56 4.97 1.81 -1.26 -4.73 118.95 122.25 3k58 s ARG 147 Ca 0.70 -0.29 -0.08 0.00 -1.72 0.00 0.00 55.73 54.34 3k58 s ARG 147 Cb -0.48 -1.15 -0.04 0.00 -0.45 0.00 0.00 34.95 32.83 3k58 s ARG 147 CO 0.37 -0.01 0.92 -1.25 -0.68 0.00 0.00 175.30 174.65 3k58 s PRO 148 N 0.72 3.54 0.24 3.54 0.04 -1.26 -5.03 135.00 136.79 3k58 s PRO 148 Ca -0.13 0.48 -0.15 0.00 0.04 0.00 0.00 61.00 61.24 3k58 s PRO 148 Cb -0.15 -2.22 -0.08 0.00 0.04 0.00 0.00 34.50 32.09 3k58 s PRO 148 CO 0.02 -0.42 0.65 -1.25 0.04 0.00 0.00 177.00 176.04 3k58 s PRO 149 N -4.98 4.02 0.01 0.56 0.04 -1.26 -5.08 135.00 128.31 3k58 s PRO 149 Ca 0.52 0.60 0.02 0.00 0.04 0.00 0.00 61.00 62.18 3k58 s PRO 149 Cb -0.11 -2.70 -0.01 0.00 0.04 0.00 0.00 34.50 31.72 3k58 s PRO 149 CO 0.50 0.32 -0.08 -0.51 0.04 0.00 0.00 177.00 177.27 3k58 s LEU 150 N -2.46 2.07 -0.18 -3.56 1.43 -1.26 -4.78 118.68 109.94 3k58 s LEU 150 Ca 0.46 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.24 3k58 s LEU 150 Cb -0.13 -0.34 -0.05 0.00 0.03 0.00 0.00 46.19 45.70 3k58 s LEU 150 CO 0.19 0.03 0.11 -0.54 0.23 0.00 0.00 176.35 176.38 3k58 s LYS 151 N -0.51 3.99 0.25 1.70 1.02 -1.26 -4.98 119.74 119.96 3k58 s LYS 151 Ca 0.00 -0.23 0.09 0.00 0.02 0.00 0.00 55.97 55.85 3k58 s LYS 151 Cb -0.04 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 3k58 s LYS 151 CO 0.00 0.39 0.01 -1.58 -0.92 0.00 0.00 175.35 173.25 3k58 s TRP 152 N 0.09 2.75 -0.07 3.18 0.51 -1.26 -0.23 118.94 123.90 3k58 s TRP 152 Ca 0.08 -0.20 -0.01 0.00 -2.12 0.00 0.00 56.10 53.85 3k58 s TRP 152 Cb -0.11 -1.23 0.03 0.00 -0.81 0.00 0.00 33.47 31.34 3k58 s TRP 152 CO -0.00 0.60 -0.02 0.54 -0.51 0.00 0.00 176.95 177.56 3k58 s VAL 153 N -2.24 0.48 -0.29 4.03 0.11 -0.01 -2.56 120.40 119.92 3k58 s VAL 153 Ca 0.31 0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 59.24 3k58 s VAL 153 Cb -0.07 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 3k58 s VAL 153 CO 0.20 0.26 0.28 -0.55 -3.33 0.00 0.00 175.10 171.96 3k58 s SER 154 N 1.64 6.12 -0.09 3.54 0.15 0.92 -0.73 113.70 125.25 3k58 s SER 154 Ca 0.00 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.67 3k58 s SER 154 Cb -0.13 -2.16 -0.02 0.00 -1.71 0.00 0.00 66.02 62.00 3k58 s SER 154 CO -0.04 -0.15 -0.10 -0.51 1.20 0.00 0.00 173.24 173.64 3k58 s ILE 155 N 1.89 3.43 -0.05 6.45 2.07 -0.63 -1.10 121.20 133.26 3k58 s ILE 155 Ca 0.10 -0.56 -0.02 0.00 -1.41 0.00 0.00 60.65 58.76 3k58 s ILE 155 Cb -0.16 -2.42 0.03 0.00 0.13 0.00 0.00 42.46 40.04 3k58 s ILE 155 CO 0.11 0.56 0.11 -0.62 -1.91 0.00 0.00 174.94 173.19 3k58 s ASP 156 N -0.29 -0.08 0.09 4.50 2.15 -0.48 -4.68 116.67 117.89 3k58 s ASP 156 Ca 0.03 0.22 0.07 0.00 0.43 0.00 0.00 52.55 53.30 3k58 s ASP 156 Cb -0.13 0.15 -0.04 0.00 -0.30 0.00 0.00 42.92 42.60 3k58 s ASP 156 CO 0.03 -0.11 -0.10 0.27 -0.17 0.00 0.00 175.17 175.09 3k58 s ILE 157 N 0.80 3.38 -0.05 4.11 -4.36 -1.26 0.11 121.20 123.93 3k58 s ILE 157 Ca -0.06 -1.21 0.05 0.00 -0.26 0.00 0.00 60.65 59.18 3k58 s ILE 157 Cb -0.08 -2.56 -0.01 0.00 1.25 0.00 0.00 42.46 41.05 3k58 s ILE 157 CO -0.04 0.15 -0.22 -1.61 0.24 0.00 0.00 174.94 173.46 3k58 s GLU 158 N -2.09 2.28 0.34 0.37 0.41 -0.76 -5.01 118.70 114.24 3k58 s GLU 158 Ca 0.21 -0.80 0.05 0.00 -0.41 0.00 0.00 54.97 54.01 3k58 s GLU 158 Cb -0.11 -1.95 -0.03 0.00 -1.78 0.00 0.00 34.13 30.26 3k58 s GLU 158 CO 0.13 0.33 0.19 0.95 -0.49 0.00 0.00 175.26 176.37 3k58 s THR 159 N -0.10 0.27 0.87 3.63 -4.23 -1.26 -0.40 115.64 114.43 3k58 s THR 159 Ca -0.04 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.35 3k58 s THR 159 Cb -0.13 -2.46 0.12 0.00 1.34 0.00 0.00 72.50 71.37 3k58 s THR 159 CO 0.03 0.00 1.19 0.42 -0.54 0.00 0.00 174.62 175.72 3k58 s THR 160 N -3.47 1.99 -0.25 3.99 -4.23 -0.17 -4.86 115.64 108.64 3k58 s THR 160 Ca 0.34 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 61.10 3k58 s THR 160 Cb 0.03 -2.91 0.26 0.00 1.34 0.00 0.00 72.50 71.22 3k58 s THR 160 CO 0.20 0.00 1.75 0.08 -0.54 0.00 0.00 174.62 176.11 3k58 h ARG 161 N -1.31 0.00 -0.73 3.99 0.11 -1.94 -0.68 114.38 113.83 3k58 h ARG 161 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 3k58 h ARG 161 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 3k58 h ARG 161 CO 0.60 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.39 3k58 n HIS 162 N -2.36 1.03 -0.59 4.08 8.25 -1.26 -4.96 115.22 119.41 3k58 n HIS 162 Ca 0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 3k58 n HIS 162 Cb 0.14 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.23 3k58 n HIS 162 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k58 n GLY 163 N 1.60 0.78 3.74 -1.41 0.00 -0.26 -5.05 105.19 104.59 3k58 n GLY 163 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 3k58 n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k58 s GLU 164 N -0.41 4.68 0.34 1.61 2.02 -1.26 -4.72 118.70 120.97 3k58 s GLU 164 Ca 0.00 1.56 -0.29 0.00 0.02 0.00 0.00 54.97 56.26 3k58 s GLU 164 Cb 0.00 -3.32 -0.11 0.00 0.10 0.00 0.00 34.13 30.80 3k58 s GLU 164 CO 0.00 0.21 1.53 -0.51 0.02 0.00 0.00 175.26 176.51 3k58 s LEU 165 N -0.34 4.33 -0.15 1.80 1.43 -1.26 -0.99 118.68 123.50 3k58 s LEU 165 Ca 0.47 3.01 -0.04 0.00 -1.03 0.00 0.00 54.13 56.54 3k58 s LEU 165 Cb -0.26 -3.65 -0.08 0.00 0.03 0.00 0.00 46.19 42.23 3k58 s LEU 165 CO 0.32 -0.89 -0.17 -1.22 0.23 0.00 0.00 176.35 174.63 3k58 n TYR 166 N 1.15 0.00 -3.70 0.29 4.01 0.47 -4.83 117.16 114.54 3k58 n TYR 166 Ca 0.04 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.68 3k58 n TYR 166 Cb 0.38 -0.55 -0.03 0.00 -0.31 0.00 0.00 39.34 38.83 3k58 n TYR 166 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k58 s ILE 168 N -3.86 1.13 -0.14 0.00 1.01 -0.27 -1.83 121.20 117.24 3k58 s ILE 168 Ca 0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 60.65 60.24 3k58 s ILE 168 Cb -0.02 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 3k58 s ILE 168 CO -0.03 0.36 -0.02 -0.83 0.00 0.00 0.00 174.94 174.42 3k58 s GLY 169 N 0.83 1.76 -0.07 6.18 0.00 0.12 -0.78 107.32 115.36 3k58 s GLY 169 Ca -0.11 -0.81 0.03 0.00 0.00 0.00 0.00 44.72 43.82 3k58 s GLY 169 CO 0.02 -0.16 -0.15 1.08 0.00 0.00 0.00 173.10 173.89 3k58 s LEU 170 N 0.11 1.74 -0.09 0.66 1.43 -0.31 -1.38 118.68 120.85 3k58 s LEU 170 Ca 0.00 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 3k58 s LEU 170 Cb -0.13 -0.93 0.03 0.00 0.03 0.00 0.00 46.19 45.19 3k58 s LEU 170 CO 0.02 0.06 0.02 -0.70 0.23 0.00 0.00 176.35 175.98 3k58 s GLU 171 N 0.57 0.53 0.00 1.70 2.12 -0.26 -1.70 118.70 121.67 3k58 s GLU 171 Ca -0.15 0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.22 3k58 s GLU 171 Cb -0.16 -1.15 0.00 0.00 0.26 0.00 0.00 34.13 33.08 3k58 s GLU 171 CO 0.05 -0.37 0.00 0.41 -0.54 0.00 0.00 175.26 174.80 3k58 n GLY 172 N 5.15 1.39 2.91 -1.50 0.00 -0.31 -0.06 105.19 112.77 3k58 n GLY 172 Ca -0.07 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.12 3k58 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k58 n GLY 174 N -1.36 0.51 3.42 0.00 0.00 -1.26 -5.01 105.19 101.48 3k58 n GLY 174 Ca -0.13 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 3k58 n GLY 174 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k58 s GLN 175 N -1.17 1.50 -0.21 1.61 -1.52 -0.16 -5.10 119.66 114.62 3k58 s GLN 175 Ca 0.00 -1.31 -0.04 0.00 -1.95 0.00 0.00 55.36 52.05 3k58 s GLN 175 Cb 0.00 -1.95 0.07 0.00 -0.22 0.00 0.00 33.01 30.91 3k58 s GLN 175 CO 0.00 0.46 0.09 1.03 -0.25 0.00 0.00 175.29 176.61 3k58 s ARG 176 N -2.11 0.26 -0.02 2.91 0.52 -1.26 -1.16 118.95 118.10 3k58 s ARG 176 Ca 0.15 -0.30 -0.14 0.00 -0.52 0.00 0.00 55.73 54.93 3k58 s ARG 176 Cb -0.10 -1.78 0.02 0.00 0.52 0.00 0.00 34.95 33.61 3k58 s ARG 176 CO 0.07 -0.75 0.29 -1.50 0.02 0.00 0.00 175.30 173.43 3k58 s ILE 177 N 2.04 0.06 -0.10 1.52 2.07 -0.69 -1.77 121.20 124.32 3k58 s ILE 177 Ca 0.03 -0.48 0.02 0.00 -1.41 0.00 0.00 60.65 58.81 3k58 s ILE 177 Cb -0.16 -0.58 0.02 0.00 0.13 0.00 0.00 42.46 41.86 3k58 s ILE 177 CO -0.15 -0.26 -0.14 -0.69 -1.91 0.00 0.00 174.94 171.79 3k58 s VAL 178 N -1.25 1.37 -0.27 4.00 1.01 -0.31 -1.16 120.40 123.78 3k58 s VAL 178 Ca -0.13 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 3k58 s VAL 178 Cb -0.05 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 3k58 s VAL 178 CO 0.04 0.41 0.20 -0.31 0.00 0.00 0.00 175.10 175.44 3k58 s TYR 179 N 1.02 3.24 -0.03 5.22 2.02 0.04 -1.15 117.35 127.70 3k58 s TYR 179 Ca -0.07 0.16 0.06 0.00 -0.37 0.00 0.00 57.07 56.86 3k58 s TYR 179 Cb -0.15 -2.38 -0.02 0.00 -0.40 0.00 0.00 41.96 39.01 3k58 s TYR 179 CO -0.01 -0.13 -0.21 1.41 -1.57 0.00 0.00 175.55 175.04 3k58 s MET 180 N 1.68 2.27 0.02 -0.62 -2.45 0.49 -1.12 119.30 119.58 3k58 s MET 180 Ca 0.08 -0.83 -0.30 0.00 -1.25 0.00 0.00 55.69 53.38 3k58 s MET 180 Cb -0.16 -2.19 -0.06 0.00 1.25 0.00 0.00 34.83 33.68 3k58 s MET 180 CO 0.10 0.59 1.37 -1.17 1.05 0.00 0.00 175.02 176.96 3k58 s LEU 181 N -0.69 4.33 0.00 4.11 2.96 -0.01 -1.33 118.68 128.05 3k58 s LEU 181 Ca 0.11 2.12 -0.11 0.00 -0.22 0.00 0.00 54.13 56.03 3k58 s LEU 181 Cb -0.10 -3.57 0.16 0.00 0.50 0.00 0.00 46.19 43.18 3k58 s LEU 181 CO -0.00 -0.68 0.96 0.61 -1.32 0.00 0.00 176.35 175.92 3k58 n GLY 182 N 3.57 -1.16 3.81 7.98 0.00 0.17 -4.84 105.19 114.72 3k58 n GLY 182 Ca 0.12 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 3k58 n GLY 182 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k58 s PRO 183 N -5.08 2.56 0.66 1.61 0.04 -1.26 -4.91 135.00 128.62 3k58 s PRO 183 Ca 0.56 0.86 -0.15 0.00 0.04 0.00 0.00 61.00 62.30 3k58 s PRO 183 Cb -0.02 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 3k58 s PRO 183 CO 0.39 -1.34 1.10 -1.83 0.04 0.00 0.00 177.00 175.36 3k58 s GLU 184 N -5.07 2.86 0.32 4.56 -1.05 -1.26 -5.05 118.70 114.01 3k58 s GLU 184 Ca 0.59 1.33 -0.15 0.00 -0.15 0.00 0.00 54.97 56.59 3k58 s GLU 184 Cb -0.14 -1.96 0.03 0.00 -0.44 0.00 0.00 34.13 31.61 3k58 s GLU 184 CO 0.55 -1.19 0.67 0.54 0.95 0.00 0.00 175.26 176.78 3k58 s ASN 185 N -2.71 0.03 0.95 0.83 2.20 -1.26 -5.10 114.94 109.88 3k58 s ASN 185 Ca 0.66 -0.99 0.00 0.00 -0.94 0.00 0.00 52.86 51.59 3k58 s ASN 185 Cb -0.19 0.74 0.00 0.00 -2.00 0.00 0.00 41.25 39.80 3k58 s ASN 185 CO 0.42 -1.44 0.00 0.61 -2.94 0.00 0.00 177.10 173.76 3k58 n GLY 186 N -0.49 -0.04 2.94 0.45 0.00 -1.26 -4.43 105.19 102.36 3k58 n GLY 186 Ca -0.05 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 3k58 n GLY 186 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3k58 s ASP 187 N -4.00 0.90 -0.13 1.61 -4.77 -1.26 -5.02 116.67 104.00 3k58 s ASP 187 Ca 0.00 -0.13 0.18 0.00 -3.30 0.00 0.00 52.55 49.30 3k58 s ASP 187 Cb 0.00 -0.31 0.74 0.00 -1.09 0.00 0.00 42.92 42.26 3k58 s ASP 187 CO 0.00 0.01 1.65 0.00 0.70 0.00 0.00 175.17 177.53 3k58 n ALA 188 N 3.57 3.21 -0.13 2.11 0.00 -1.26 -4.50 120.51 123.51 3k58 n ALA 188 Ca -0.21 -1.67 -0.01 0.00 0.00 0.00 0.00 53.44 51.56 3k58 n ALA 188 Cb 0.53 -1.02 0.24 0.00 0.00 0.00 0.00 19.45 19.20 3k58 n ALA 188 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k58 h SER 189 N 4.07 0.75 0.76 0.00 4.64 -2.01 -2.89 113.55 118.87 3k58 h SER 189 Ca 0.00 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.19 3k58 h SER 189 Cb 1.54 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 3k58 h SER 189 CO 0.27 0.66 -0.21 0.77 -0.87 0.00 0.00 176.83 177.45 3k58 h SER 190 N 0.82 0.00 -3.78 4.97 4.64 -2.02 -3.48 113.55 114.70 3k58 h SER 190 Ca 0.20 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.99 3k58 h SER 190 Cb 0.13 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.31 3k58 h SER 190 CO -0.02 0.21 0.75 -0.76 -0.87 0.00 0.00 176.83 176.15 3k58 s LEU 191 N -6.94 4.36 -0.30 5.97 1.43 -1.09 -4.95 118.68 117.15 3k58 s LEU 191 Ca -0.00 2.90 0.09 0.00 -1.03 0.00 0.00 54.13 56.08 3k58 s LEU 191 Cb 0.11 -3.65 0.70 0.00 0.03 0.00 0.00 46.19 43.38 3k58 s LEU 191 CO 0.63 -0.77 1.74 -0.90 0.23 0.00 0.00 176.35 177.27 3k58 n ASP 192 N 1.00 4.71 -4.00 2.29 5.75 -1.26 -4.93 116.55 120.11 3k58 n ASP 192 Ca 0.02 -3.12 -0.10 0.00 -0.01 0.00 0.00 54.79 51.59 3k58 n ASP 192 Cb 0.40 -0.73 -0.07 0.00 -1.03 0.00 0.00 41.12 39.69 3k58 n ASP 192 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3k58 s PHE 193 N -2.80 0.48 0.06 2.11 -0.12 -1.26 -5.04 117.98 111.40 3k58 s PHE 193 Ca 0.51 -0.83 -0.29 0.00 -0.05 0.00 0.00 56.93 56.27 3k58 s PHE 193 Cb 0.41 -0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 42.70 3k58 s PHE 193 CO 0.13 -0.78 0.95 -1.21 -0.05 0.00 0.00 175.22 174.26 3k58 s GLU 194 N -4.01 4.62 -0.19 1.99 2.02 -0.73 -4.99 118.70 117.42 3k58 s GLU 194 Ca 0.21 1.40 0.00 0.00 0.02 0.00 0.00 54.97 56.60 3k58 s GLU 194 Cb 0.03 -3.41 0.02 0.00 0.10 0.00 0.00 34.13 30.86 3k58 s GLU 194 CO 0.04 0.11 -0.17 -1.17 0.02 0.00 0.00 175.26 174.09 3k58 s LEU 195 N 0.43 2.30 -0.13 1.80 2.96 -1.26 -1.17 118.68 123.61 3k58 s LEU 195 Ca 0.48 -0.61 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 3k58 s LEU 195 Cb -0.22 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 44.94 3k58 s LEU 195 CO 0.28 -0.01 -0.20 -1.61 -1.32 0.00 0.00 176.35 173.49 3k58 s GLU 196 N 1.32 3.10 0.23 1.98 2.02 -0.30 -4.98 118.70 122.07 3k58 s GLU 196 Ca 0.05 -0.83 -0.03 0.00 0.02 0.00 0.00 54.97 54.19 3k58 s GLU 196 Cb -0.13 -2.45 -0.05 0.00 0.10 0.00 0.00 34.13 31.60 3k58 s GLU 196 CO -0.11 0.08 0.45 0.71 0.02 0.00 0.00 175.26 176.41 3k58 s TYR 197 N 0.62 3.48 0.01 1.61 2.02 -1.26 -0.38 117.35 123.45 3k58 s TYR 197 Ca -0.11 0.48 -0.02 0.00 -0.37 0.00 0.00 57.07 57.05 3k58 s TYR 197 Cb -0.16 -1.96 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 3k58 s TYR 197 CO 0.03 0.31 0.02 0.14 -1.57 0.00 0.00 175.55 174.47 3k58 s VAL 198 N -1.93 0.09 0.28 0.71 -7.23 -0.44 -4.89 120.40 107.00 3k58 s VAL 198 Ca 0.41 -0.79 0.01 0.00 -1.81 0.00 0.00 61.98 59.80 3k58 s VAL 198 Cb -0.11 -0.29 0.10 0.00 0.56 0.00 0.00 36.38 36.64 3k58 s VAL 198 CO 0.29 -0.43 1.76 0.00 -0.31 0.00 0.00 175.10 176.41 3k58 h ALA 199 N 4.67 1.15 -2.34 1.32 0.00 -1.91 0.47 119.26 122.62 3k58 h ALA 199 Ca -0.31 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.16 3k58 h ALA 199 Cb 1.21 -0.15 -0.16 0.00 0.00 0.00 0.00 17.79 18.69 3k58 h ALA 199 CO 0.41 0.54 -0.69 -1.54 0.00 0.00 0.00 179.25 177.98 3k58 s SER 200 N -6.74 0.62 0.27 0.00 1.04 -1.26 -4.67 113.70 102.96 3k58 s SER 200 Ca -0.08 -0.94 -0.04 0.00 0.48 0.00 0.00 55.95 55.37 3k58 s SER 200 Cb 0.14 0.16 0.35 0.00 0.10 0.00 0.00 66.02 66.77 3k58 s SER 200 CO 0.79 -0.53 1.91 0.03 0.98 0.00 0.00 173.24 176.42 3k58 h ARG 201 N 3.30 1.13 -0.47 4.02 3.08 -1.94 -2.23 114.38 121.26 3k58 h ARG 201 Ca -0.34 -0.11 0.06 0.00 0.07 0.00 0.00 59.98 59.65 3k58 h ARG 201 Cb 1.15 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 3k58 h ARG 201 CO 0.63 0.80 0.32 -1.35 -1.07 0.00 0.00 179.97 179.30 3k58 h PRO 202 N 1.14 0.41 0.00 0.04 0.11 -1.97 0.13 132.00 131.86 3k58 h PRO 202 Ca 0.30 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 3k58 h PRO 202 Cb -0.02 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 30.99 3k58 h PRO 202 CO -0.05 0.27 -0.03 1.96 -0.21 0.00 0.00 178.00 179.94 3k58 h GLN 203 N 0.42 0.00 -0.59 1.05 4.20 -1.83 -1.90 115.11 116.46 3k58 h GLN 203 Ca 0.20 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.83 3k58 h GLN 203 Cb 0.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3k58 h GLN 203 CO -0.05 0.03 0.03 -0.07 -0.67 0.00 0.00 178.83 178.10 3k58 h LEU 204 N 0.00 0.96 -0.55 1.46 3.38 -1.00 0.15 115.31 119.72 3k58 h LEU 204 Ca -0.00 -0.25 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 3k58 h LEU 204 Cb 0.46 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3k58 h LEU 204 CO 0.00 1.00 -0.35 -0.07 0.09 0.00 0.00 178.44 179.11 3k58 h LEU 205 N 0.92 0.83 -0.51 1.67 3.38 -1.39 -0.97 115.31 119.24 3k58 h LEU 205 Ca 0.17 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 3k58 h LEU 205 Cb 0.49 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3k58 h LEU 205 CO 0.02 1.10 0.10 -0.33 0.09 0.00 0.00 178.44 179.42 3k58 h GLU 206 N 0.66 0.84 -0.74 1.13 5.08 -0.92 0.42 114.58 121.04 3k58 h GLU 206 Ca 0.06 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 3k58 h GLU 206 Cb 0.90 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 3k58 h GLU 206 CO 0.08 0.82 0.32 0.87 -1.00 0.00 0.00 179.01 180.10 3k58 h LYS 207 N 0.72 1.10 -0.66 2.33 1.79 -0.61 -1.68 116.57 119.56 3k58 h LYS 207 Ca 0.16 -0.19 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 3k58 h LYS 207 Cb 0.37 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.81 3k58 h LYS 207 CO 0.01 0.88 0.35 1.25 -1.08 0.00 0.00 179.45 180.86 3k58 h LEU 208 N 1.06 0.84 -0.33 2.94 5.85 -0.75 -0.81 115.31 124.10 3k58 h LEU 208 Ca 0.25 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3k58 h LEU 208 Cb 0.18 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3k58 h LEU 208 CO -0.02 0.70 0.17 0.78 -0.34 0.00 0.00 178.44 179.73 3k58 h ASN 209 N 0.90 0.43 -0.75 1.25 2.35 -0.58 -2.33 115.58 116.86 3k58 h ASN 209 Ca 0.23 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 3k58 h ASN 209 Cb 0.06 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 3k58 h ASN 209 CO -0.03 0.42 0.33 0.00 -1.65 0.00 0.00 177.43 176.50 3k58 h ALA 210 N 1.03 1.15 -0.46 -0.83 0.00 -0.94 -0.64 119.26 118.56 3k58 h ALA 210 Ca 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3k58 h ALA 210 Cb 0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3k58 h ALA 210 CO -0.02 0.62 0.20 2.35 0.00 0.00 0.00 179.25 182.41 3k58 h TRP 211 N 1.09 0.69 -0.39 0.00 7.01 -0.96 -1.09 115.95 122.29 3k58 h TRP 211 Ca 0.26 -0.05 -0.03 0.00 2.11 0.00 0.00 58.89 61.18 3k58 h TRP 211 Cb 0.16 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 26.99 3k58 h TRP 211 CO 0.02 0.58 0.14 0.74 -2.79 0.00 0.00 178.44 177.13 3k58 h PHE 212 N 0.61 0.62 -0.25 2.65 0.04 -1.11 0.34 116.94 119.83 3k58 h PHE 212 Ca 0.16 -0.06 0.04 0.00 2.80 0.00 0.00 57.97 60.91 3k58 h PHE 212 Cb 0.17 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.10 3k58 h PHE 212 CO -0.00 0.57 0.02 0.00 -0.60 0.00 0.00 178.31 178.29 3k58 h ALA 213 N 0.98 0.24 -0.04 2.45 0.00 -0.86 -1.47 119.26 120.56 3k58 h ALA 213 Ca 0.13 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3k58 h ALA 213 Cb 0.23 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3k58 h ALA 213 CO -0.01 -0.40 -0.19 -0.97 0.00 0.00 0.00 179.25 177.68 3k58 h ASN 214 N 0.10 0.24 0.92 0.00 -1.24 -1.10 -3.38 115.58 111.13 3k58 h ASN 214 Ca 0.12 -0.66 0.00 0.00 0.71 0.00 0.00 56.30 56.47 3k58 h ASN 214 Cb 0.14 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.12 3k58 h ASN 214 CO -0.19 0.85 -0.59 1.88 -1.29 0.00 0.00 177.43 178.09 3k58 h TYR 215 N -0.37 0.00 -6.54 0.67 0.05 -0.34 -3.49 116.97 106.96 3k58 h TYR 215 Ca -0.01 0.00 -0.51 0.00 0.05 0.00 0.00 58.73 58.26 3k58 h TYR 215 Cb 0.85 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.61 3k58 h TYR 215 CO 0.14 0.00 -0.96 -3.47 -1.05 0.00 0.00 178.16 172.82 3k58 n ASP 216 N -2.16 -3.92 -4.77 3.88 2.03 -0.56 -4.93 116.55 106.13 3k58 n ASP 216 Ca 0.03 -1.12 -0.37 0.00 0.52 0.00 0.00 54.79 53.85 3k58 n ASP 216 Cb 0.44 -2.69 0.00 0.00 -0.72 0.00 0.00 41.12 38.15 3k58 n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3k58 s PRO 217 N -6.60 3.59 0.07 -0.67 0.04 -1.26 -4.95 135.00 125.22 3k58 s PRO 217 Ca 0.39 1.87 -0.07 0.00 0.04 0.00 0.00 61.00 63.24 3k58 s PRO 217 Cb -0.17 -2.35 -0.28 0.00 0.04 0.00 0.00 34.50 31.74 3k58 s PRO 217 CO 0.91 -0.72 1.13 -0.44 0.04 0.00 0.00 177.00 177.92 3k58 h ASP 218 N 1.87 0.52 -3.93 6.66 3.32 -0.95 -3.47 116.42 120.44 3k58 h ASP 218 Ca -0.50 -0.54 -0.54 0.00 0.02 0.00 0.00 57.03 55.47 3k58 h ASP 218 Cb 1.26 -0.17 -0.31 0.00 0.22 0.00 0.00 39.33 40.33 3k58 h ASP 218 CO 0.59 1.42 -0.83 -0.69 -1.72 0.00 0.00 179.24 178.01 3k58 s VAL 219 N -2.71 1.33 -0.26 -1.35 1.01 -0.50 -1.06 120.40 116.88 3k58 s VAL 219 Ca -0.05 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 3k58 s VAL 219 Cb 0.07 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 3k58 s VAL 219 CO 0.90 0.39 0.06 -0.63 0.00 0.00 0.00 175.10 175.81 3k58 s ILE 220 N 0.01 4.12 0.19 2.22 1.01 0.69 -0.83 121.20 128.60 3k58 s ILE 220 Ca -0.03 -0.33 0.11 0.00 0.00 0.00 0.00 60.65 60.40 3k58 s ILE 220 Cb -0.11 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 3k58 s ILE 220 CO 0.02 0.29 -0.23 0.27 0.00 0.00 0.00 174.94 175.28 3k58 s ILE 221 N 1.57 2.29 0.01 2.92 -4.36 0.09 -0.36 121.20 123.37 3k58 s ILE 221 Ca 0.05 -2.01 -0.04 0.00 -0.26 0.00 0.00 60.65 58.39 3k58 s ILE 221 Cb -0.15 -2.09 0.01 0.00 1.25 0.00 0.00 42.46 41.48 3k58 s ILE 221 CO 0.02 -0.13 0.20 0.61 0.24 0.00 0.00 174.94 175.89 3k58 n GLY 222 N 0.29 0.87 3.11 6.27 0.00 -1.02 -1.61 105.19 113.11 3k58 n GLY 222 Ca -0.13 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 3k58 n GLY 222 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3k58 s TRP 223 N -4.11 2.97 -1.48 1.61 -0.11 -1.26 -0.43 118.94 116.13 3k58 s TRP 223 Ca 0.05 -1.85 -0.11 0.00 1.22 0.00 0.00 56.10 55.40 3k58 s TRP 223 Cb -0.00 -1.94 0.06 0.00 -1.50 0.00 0.00 33.47 30.09 3k58 s TRP 223 CO 0.00 -0.82 0.95 -1.71 -4.62 0.00 0.00 176.95 170.75 3k58 n ASN 224 N 4.56 -5.25 -0.01 5.86 5.15 -1.26 -4.85 115.26 119.47 3k58 n ASN 224 Ca -0.18 -0.63 0.02 0.00 -0.60 0.00 0.00 54.58 53.19 3k58 n ASN 224 Cb 0.47 -4.19 0.37 0.00 -0.53 0.00 0.00 39.78 35.90 3k58 n ASN 224 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 3k58 h VAL 225 N -2.05 1.15 0.00 3.44 3.04 -1.90 -1.29 116.25 118.64 3k58 h VAL 225 Ca -0.56 -0.44 -0.00 0.00 -1.01 0.00 0.00 66.70 64.68 3k58 h VAL 225 Cb 1.37 0.67 -0.00 0.00 -2.01 0.00 0.00 31.29 31.32 3k58 h VAL 225 CO 0.62 0.17 -0.03 0.58 -1.01 0.00 0.00 177.57 177.90 3k58 h VAL 226 N 0.55 0.84 0.00 1.51 2.07 -1.94 0.12 116.25 119.40 3k58 h VAL 226 Ca 0.14 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.02 3k58 h VAL 226 Cb 0.10 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3k58 h VAL 226 CO -0.02 0.29 0.00 1.56 0.02 0.00 0.00 177.57 179.42 3k58 h GLN 227 N -1.00 0.00 0.00 1.57 1.08 -1.93 -2.01 115.11 112.81 3k58 h GLN 227 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3k58 h GLN 227 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3k58 h GLN 227 CO -0.00 0.00 0.00 0.34 -0.95 0.00 0.00 178.83 178.22 3k58 n PHE 228 N -3.05 0.00 0.24 2.96 7.35 -0.49 -4.58 117.46 119.89 3k58 n PHE 228 Ca 0.00 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.53 3k58 n PHE 228 Cb 0.28 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.02 3k58 n PHE 228 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3k58 h ASP 229 N 0.00 -1.24 -0.56 -2.13 3.32 -1.59 0.18 116.42 114.39 3k58 h ASP 229 Ca 0.00 0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 3k58 h ASP 229 Cb 0.00 0.42 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3k58 h ASP 229 CO 0.00 -0.59 0.07 -0.07 -1.72 0.00 0.00 179.24 176.93 3k58 h LEU 230 N -0.86 0.94 -0.32 1.55 3.38 -0.88 -1.48 115.31 117.65 3k58 h LEU 230 Ca -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3k58 h LEU 230 Cb 0.78 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3k58 h LEU 230 CO -0.10 0.96 0.13 -0.09 0.09 0.00 0.00 178.44 179.43 3k58 h ARG 231 N 0.92 0.47 -0.70 1.13 2.43 -1.08 -0.57 114.38 116.99 3k58 h ARG 231 Ca 0.18 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3k58 h ARG 231 Cb 0.44 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 3k58 h ARG 231 CO 0.02 0.47 0.36 0.52 -1.51 0.00 0.00 179.97 179.83 3k58 h MET 232 N 0.37 1.00 -0.74 0.20 2.86 -0.53 -1.57 114.93 116.52 3k58 h MET 232 Ca 0.11 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 3k58 h MET 232 Cb 0.17 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 3k58 h MET 232 CO -0.01 0.77 0.26 -0.07 1.06 0.00 0.00 176.91 178.92 3k58 h LEU 233 N 0.97 1.03 -0.66 1.22 3.38 -0.99 -1.68 115.31 118.59 3k58 h LEU 233 Ca 0.24 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3k58 h LEU 233 Cb 0.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3k58 h LEU 233 CO -0.03 0.94 0.26 -0.61 0.09 0.00 0.00 178.44 179.08 3k58 h GLN 234 N 1.08 0.99 -0.52 1.13 5.75 -0.70 0.47 115.11 123.31 3k58 h GLN 234 Ca 0.24 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3k58 h GLN 234 Cb 0.25 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 3k58 h GLN 234 CO -0.01 0.83 0.34 0.87 -2.65 0.00 0.00 178.83 178.21 3k58 h LYS 235 N 0.94 0.69 -0.61 1.69 1.57 -0.82 -0.12 116.57 119.91 3k58 h LYS 235 Ca 0.22 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3k58 h LYS 235 Cb 0.21 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3k58 h LYS 235 CO -0.02 0.47 0.36 0.45 -0.57 0.00 0.00 179.45 180.14 3k58 h HIS 236 N 0.71 0.82 -0.85 -1.35 3.86 -0.91 -0.94 115.15 116.48 3k58 h HIS 236 Ca 0.19 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3k58 h HIS 236 Cb -0.07 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.10 3k58 h HIS 236 CO -0.04 0.57 0.53 0.00 0.86 0.00 0.00 177.93 179.85 3k58 h ALA 237 N 1.18 1.09 -0.20 2.45 0.00 -0.19 -0.44 119.26 123.15 3k58 h ALA 237 Ca 0.22 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3k58 h ALA 237 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3k58 h ALA 237 CO -0.04 0.54 -0.00 0.93 0.00 0.00 0.00 179.25 180.68 3k58 h GLU 238 N 1.17 0.35 -0.88 0.00 5.08 -0.69 -0.28 114.58 119.33 3k58 h GLU 238 Ca 0.31 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3k58 h GLU 238 Cb -0.06 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 3k58 h GLU 238 CO -0.06 0.55 0.52 0.00 -1.00 0.00 0.00 179.01 179.03 3k58 h ARG 239 N 0.11 1.20 -0.01 2.33 3.08 -0.82 -2.64 114.38 117.64 3k58 h ARG 239 Ca 0.06 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3k58 h ARG 239 Cb 0.39 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3k58 h ARG 239 CO 0.01 0.85 -0.10 0.66 -1.07 0.00 0.00 179.97 180.31 3k58 n TYR 240 N -4.40 0.00 -3.30 3.04 4.01 -0.21 -4.93 117.16 111.38 3k58 n TYR 240 Ca 0.09 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.61 3k58 n TYR 240 Cb 0.06 -0.08 0.06 0.00 -0.31 0.00 0.00 39.34 39.07 3k58 n TYR 240 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3k58 n ARG 241 N -0.42 -6.30 -5.20 -0.72 3.00 -0.34 -5.00 116.66 101.69 3k58 n ARG 241 Ca 0.16 0.81 -0.31 0.00 -0.01 0.00 0.00 57.85 58.50 3k58 n ARG 241 Cb 0.32 -5.64 -0.15 0.00 0.00 0.00 0.00 32.46 26.98 3k58 n ARG 241 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3k58 s LEU 242 N -6.66 2.22 0.21 0.55 1.43 -0.26 -5.04 118.68 111.13 3k58 s LEU 242 Ca 0.44 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 3k58 s LEU 242 Cb -0.19 -1.40 -0.08 0.00 0.03 0.00 0.00 46.19 44.54 3k58 s LEU 242 CO 0.54 0.32 1.13 -2.16 0.23 0.00 0.00 176.35 176.41 3k58 s PRO 243 N -0.57 4.58 -0.76 1.29 0.04 -1.26 -4.49 135.00 133.81 3k58 s PRO 243 Ca 0.08 1.79 -0.15 0.00 0.04 0.00 0.00 61.00 62.76 3k58 s PRO 243 Cb -0.11 -3.24 0.18 0.00 0.04 0.00 0.00 34.50 31.38 3k58 s PRO 243 CO -0.00 0.06 0.75 -1.17 0.04 0.00 0.00 177.00 176.68 3k58 s LEU 244 N -0.64 6.37 -1.23 -3.56 2.96 -1.26 -4.98 118.68 116.34 3k58 s LEU 244 Ca 0.49 -2.35 -0.13 0.00 -0.22 0.00 0.00 54.13 51.92 3k58 s LEU 244 Cb -0.31 -2.24 0.17 0.00 0.50 0.00 0.00 46.19 44.31 3k58 s LEU 244 CO 0.37 -0.72 1.56 0.54 -1.32 0.00 0.00 176.35 176.78 3k58 n ARG 245 N 4.67 3.44 -0.14 1.98 1.74 -1.26 -1.23 116.66 125.86 3k58 n ARG 245 Ca 0.07 -3.76 0.12 0.00 -0.77 0.00 0.00 57.85 53.51 3k58 n ARG 245 Cb 0.45 -3.01 0.24 0.00 -1.02 0.00 0.00 32.46 29.12 3k58 n ARG 245 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3k58 n LEU 246 N 5.19 2.99 -4.87 0.55 4.77 -1.09 -4.74 117.00 119.79 3k58 n LEU 246 Ca 0.38 -1.24 -0.24 0.00 -0.03 0.00 0.00 56.01 54.88 3k58 n LEU 246 Cb 0.41 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 3k58 n LEU 246 CO 0.68 0.62 -0.15 -0.83 -1.33 0.00 0.00 177.39 176.38 3k58 s GLY 247 N -1.58 1.56 0.81 -0.72 0.00 -0.30 -4.78 107.32 102.31 3k58 s GLY 247 Ca 0.36 -1.22 -0.11 0.00 0.00 0.00 0.00 44.72 43.76 3k58 s GLY 247 CO 0.30 -1.23 1.11 0.50 0.00 0.00 0.00 173.10 173.78 3k58 s ARG 248 N -3.45 1.91 -1.47 2.90 0.52 0.13 -1.94 118.95 117.55 3k58 s ARG 248 Ca 0.33 1.29 -0.06 0.00 -0.52 0.00 0.00 55.73 56.77 3k58 s ARG 248 Cb -0.10 -1.85 0.01 0.00 0.52 0.00 0.00 34.95 33.53 3k58 s ARG 248 CO 0.26 -1.93 0.85 -3.47 0.02 0.00 0.00 175.30 171.04 3k58 n ASP 249 N -3.69 -6.25 -4.06 0.23 2.03 -1.26 -3.10 116.55 100.45 3k58 n ASP 249 Ca 0.10 -0.39 -0.30 0.00 0.52 0.00 0.00 54.79 54.72 3k58 n ASP 249 Cb 0.53 -4.99 -0.04 0.00 -0.72 0.00 0.00 41.12 35.90 3k58 n ASP 249 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3k58 n ASN 250 N -2.71 -0.71 -4.82 1.67 3.02 -1.13 -4.95 115.26 105.63 3k58 n ASN 250 Ca -0.06 -1.12 -0.25 0.00 -0.03 0.00 0.00 54.58 53.12 3k58 n ASN 250 Cb 0.60 -2.49 -0.05 0.00 -0.61 0.00 0.00 39.78 37.23 3k58 n ASN 250 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3k58 s SER 251 N -4.22 5.58 0.37 6.41 1.04 -0.82 -4.95 113.70 117.11 3k58 s SER 251 Ca 0.09 -0.15 -0.25 0.00 0.48 0.00 0.00 55.95 56.12 3k58 s SER 251 Cb -0.04 -1.46 -0.09 0.00 0.10 0.00 0.00 66.02 64.52 3k58 s SER 251 CO 0.93 0.03 1.03 -1.61 0.98 0.00 0.00 173.24 174.60 3k58 s GLU 252 N -3.38 4.33 0.35 4.02 2.02 -1.26 -1.15 118.70 123.63 3k58 s GLU 252 Ca 0.32 1.50 -0.28 0.00 0.02 0.00 0.00 54.97 56.53 3k58 s GLU 252 Cb -0.09 -2.68 -0.11 0.00 0.10 0.00 0.00 34.13 31.35 3k58 s GLU 252 CO 0.24 0.01 1.45 -1.17 0.02 0.00 0.00 175.26 175.81 3k58 s LEU 253 N -2.35 4.35 0.21 1.80 2.96 -0.37 -4.67 118.68 120.61 3k58 s LEU 253 Ca 0.54 2.94 0.11 0.00 -0.22 0.00 0.00 54.13 57.50 3k58 s LEU 253 Cb -0.22 -3.66 -0.05 0.00 0.50 0.00 0.00 46.19 42.76 3k58 s LEU 253 CO 0.28 -0.79 -0.21 -1.61 -1.32 0.00 0.00 176.35 172.70 3k58 s GLU 254 N -1.84 1.62 -0.04 1.98 2.02 0.25 -4.96 118.70 117.72 3k58 s GLU 254 Ca 0.53 -1.55 0.04 0.00 0.02 0.00 0.00 54.97 54.01 3k58 s GLU 254 Cb -0.45 -1.86 -0.00 0.00 0.10 0.00 0.00 34.13 31.92 3k58 s GLU 254 CO 0.59 0.39 -0.15 -1.58 0.02 0.00 0.00 175.26 174.52 3k58 s TRP 255 N -1.86 1.55 -0.02 1.61 0.52 -1.26 -0.42 118.94 119.06 3k58 s TRP 255 Ca 0.23 -0.44 0.04 0.00 0.02 0.00 0.00 56.10 55.95 3k58 s TRP 255 Cb -0.07 -1.06 -0.00 0.00 -1.15 0.00 0.00 33.47 31.18 3k58 s TRP 255 CO 0.12 -0.16 -0.13 1.03 0.02 0.00 0.00 176.95 177.82 3k58 s ARG 256 N 0.10 1.26 0.46 4.98 1.81 -0.40 -4.93 118.95 122.23 3k58 s ARG 256 Ca -0.04 -0.47 -0.22 0.00 -1.72 0.00 0.00 55.73 53.28 3k58 s ARG 256 Cb -0.11 -1.16 -0.08 0.00 -0.45 0.00 0.00 34.95 33.14 3k58 s ARG 256 CO 0.02 0.23 1.07 -2.00 -0.68 0.00 0.00 175.30 173.94 3k58 s GLU 257 N -0.08 3.86 0.49 3.54 2.12 -1.26 -0.71 118.70 126.66 3k58 s GLU 257 Ca 0.00 1.50 -0.23 0.00 0.36 0.00 0.00 54.97 56.60 3k58 s GLU 257 Cb -0.08 -2.27 -0.07 0.00 0.26 0.00 0.00 34.13 31.97 3k58 s GLU 257 CO 0.00 -0.41 1.32 -1.58 -0.54 0.00 0.00 175.26 174.06 3k58 s HIS 258 N -1.79 2.52 0.18 5.30 5.65 0.58 -4.88 115.29 122.86 3k58 s HIS 258 Ca 0.64 1.40 -0.13 0.00 0.25 0.00 0.00 55.06 57.22 3k58 s HIS 258 Cb -0.21 -3.71 0.09 0.00 -1.18 0.00 0.00 32.58 27.57 3k58 s HIS 258 CO 0.25 -2.49 1.85 0.78 -0.65 0.00 0.00 174.74 174.48 3k58 h GLY 259 N 1.92 0.84 -0.09 1.59 0.00 -1.94 -3.26 103.07 102.12 3k58 h GLY 259 Ca -0.50 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.52 3k58 h GLY 259 CO 0.59 0.30 0.00 1.97 0.00 0.00 0.00 176.54 179.40 3k58 n PHE 260 N -4.68 0.02 -4.03 5.60 1.16 -1.26 -4.95 117.46 109.32 3k58 n PHE 260 Ca 0.04 -0.25 -0.31 0.00 -1.87 0.00 0.00 57.45 55.06 3k58 n PHE 260 Cb 0.02 -0.02 -0.15 0.00 -1.61 0.00 0.00 39.48 37.72 3k58 n PHE 260 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3k58 s LYS 261 N -0.53 1.91 0.44 3.97 1.02 -1.23 -5.10 119.74 120.22 3k58 s LYS 261 Ca 0.01 -1.48 -0.24 0.00 0.02 0.00 0.00 55.97 54.29 3k58 s LYS 261 Cb 0.01 -2.94 -0.08 0.00 -0.52 0.00 0.00 37.83 34.30 3k58 s LYS 261 CO 0.01 -0.70 1.17 -0.80 -0.92 0.00 0.00 175.35 174.11 3k58 s ASN 262 N 1.08 6.27 0.00 2.83 0.01 -1.26 -3.56 114.94 120.31 3k58 s ASN 262 Ca -0.02 2.33 0.00 0.00 -0.71 0.00 0.00 52.86 54.46 3k58 s ASN 262 Cb -0.20 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.86 3k58 s ASN 262 CO -0.07 -0.85 0.00 0.61 -1.51 0.00 0.00 177.10 175.29 3k58 n GLY 263 N 0.50 0.83 3.14 0.66 0.00 -1.26 -5.03 105.19 104.03 3k58 n GLY 263 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3k58 n GLY 263 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k58 s VAL 264 N -2.98 2.15 -0.10 1.61 0.11 -1.23 -5.05 120.40 114.90 3k58 s VAL 264 Ca 0.00 -0.92 0.01 0.00 -2.93 0.00 0.00 61.98 58.15 3k58 s VAL 264 Cb 0.00 -1.90 -0.02 0.00 -1.53 0.00 0.00 36.38 32.93 3k58 s VAL 264 CO 0.00 0.53 -0.14 -0.36 -3.33 0.00 0.00 175.10 171.81 3k58 s PHE 265 N 1.23 2.77 0.08 1.54 0.08 -1.26 -0.30 117.98 122.12 3k58 s PHE 265 Ca 0.03 -0.48 -0.13 0.00 0.12 0.00 0.00 56.93 56.48 3k58 s PHE 265 Cb -0.13 -1.77 -0.06 0.00 -0.57 0.00 0.00 43.02 40.48 3k58 s PHE 265 CO -0.11 -0.08 0.45 -0.06 -0.10 0.00 0.00 175.22 175.33 3k58 s PHE 266 N -0.02 3.64 -0.00 0.36 0.08 0.11 -4.86 117.98 117.29 3k58 s PHE 266 Ca -0.03 0.95 -0.07 0.00 0.12 0.00 0.00 56.93 57.90 3k58 s PHE 266 Cb -0.14 -2.28 -0.05 0.00 -0.57 0.00 0.00 43.02 39.99 3k58 s PHE 266 CO 0.04 0.53 0.26 0.00 -0.10 0.00 0.00 175.22 175.96 3k58 s ALA 267 N -1.31 3.84 -0.01 5.36 0.00 -1.26 -1.27 121.76 127.11 3k58 s ALA 267 Ca 0.32 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.72 3k58 s ALA 267 Cb -0.15 -2.07 0.01 0.00 0.00 0.00 0.00 23.12 20.91 3k58 s ALA 267 CO 0.17 0.64 -0.01 -0.65 0.00 0.00 0.00 175.76 175.91 3k58 s GLN 268 N -1.65 0.19 -0.10 0.00 -0.21 0.44 -4.93 119.66 113.39 3k58 s GLN 268 Ca 0.26 0.01 0.01 0.00 0.02 0.00 0.00 55.36 55.66 3k58 s GLN 268 Cb -0.13 -0.28 0.02 0.00 1.00 0.00 0.00 33.01 33.62 3k58 s GLN 268 CO 0.15 -0.04 -0.12 0.00 -2.12 0.00 0.00 175.29 173.16 3k58 s ALA 269 N 0.43 1.46 0.22 6.09 0.00 -1.26 -0.59 121.76 128.11 3k58 s ALA 269 Ca -0.04 -0.59 -0.32 0.00 0.00 0.00 0.00 51.96 51.01 3k58 s ALA 269 Cb -0.06 -0.80 -0.13 0.00 0.00 0.00 0.00 23.12 22.13 3k58 s ALA 269 CO -0.01 -0.16 1.56 1.17 0.00 0.00 0.00 175.76 178.32 3k58 n LYS 270 N 4.39 2.34 -1.02 0.00 4.81 -1.26 -1.74 118.16 125.67 3k58 n LYS 270 Ca -0.18 0.84 -0.01 0.00 -0.87 0.00 0.00 58.31 58.09 3k58 n LYS 270 Cb 0.51 -2.60 -0.00 0.00 0.02 0.00 0.00 35.03 32.96 3k58 n LYS 270 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k58 n GLY 271 N 2.95 0.35 3.05 3.14 0.00 -1.26 0.21 105.19 113.62 3k58 n GLY 271 Ca 0.14 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 3k58 n GLY 271 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k58 s ARG 272 N -1.02 0.51 0.10 1.61 0.52 -0.71 -4.84 118.95 115.13 3k58 s ARG 272 Ca 0.00 -0.66 -0.08 0.00 -0.52 0.00 0.00 55.73 54.46 3k58 s ARG 272 Cb 0.00 -0.31 -0.06 0.00 0.52 0.00 0.00 34.95 35.10 3k58 s ARG 272 CO 0.00 0.06 0.40 -0.51 0.02 0.00 0.00 175.30 175.27 3k58 s LEU 273 N -1.34 4.32 -0.21 2.53 1.43 -0.22 -4.46 118.68 120.73 3k58 s LEU 273 Ca -0.08 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 3k58 s LEU 273 Cb -0.09 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 43.07 3k58 s LEU 273 CO 0.00 0.13 -0.14 -0.63 0.23 0.00 0.00 176.35 175.95 3k58 s ILE 274 N -1.48 2.36 -0.18 -0.59 1.01 -1.26 -0.22 121.20 120.83 3k58 s ILE 274 Ca 0.36 -1.07 0.01 0.00 0.00 0.00 0.00 60.65 59.94 3k58 s ILE 274 Cb -0.13 -2.13 0.03 0.00 0.01 0.00 0.00 42.46 40.24 3k58 s ILE 274 CO 0.20 0.34 -0.13 -0.63 0.00 0.00 0.00 174.94 174.71 3k58 s ILE 275 N 1.27 1.73 -0.12 2.92 -1.09 0.52 -4.83 121.20 121.59 3k58 s ILE 275 Ca 0.01 -0.92 -0.22 0.00 -2.23 0.00 0.00 60.65 57.30 3k58 s ILE 275 Cb -0.15 -1.70 -0.03 0.00 -1.58 0.00 0.00 42.46 38.99 3k58 s ILE 275 CO -0.09 0.32 0.64 -0.62 -1.23 0.00 0.00 174.94 173.96 3k58 s ASP 276 N 1.39 6.84 0.36 3.58 2.15 -1.26 -2.44 116.67 127.28 3k58 s ASP 276 Ca 0.01 1.01 0.03 0.00 0.43 0.00 0.00 52.55 54.03 3k58 s ASP 276 Cb -0.15 -2.37 0.67 0.00 -0.30 0.00 0.00 42.92 40.78 3k58 s ASP 276 CO -0.10 -0.16 2.02 1.23 -0.17 0.00 0.00 175.17 177.99 3k58 h GLY 277 N 7.29 0.85 0.77 2.66 0.00 -1.13 -1.63 103.07 111.88 3k58 h GLY 277 Ca -0.37 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 3k58 h GLY 277 CO 0.77 0.30 -0.09 -2.22 0.00 0.00 0.00 176.54 175.29 3k58 h ILE 278 N 0.81 0.89 -0.46 2.60 2.04 -1.93 0.11 117.51 121.57 3k58 h ILE 278 Ca 0.23 -0.47 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 3k58 h ILE 278 Cb -0.07 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3k58 h ILE 278 CO -0.05 0.11 -0.06 -0.33 0.00 0.00 0.00 178.15 177.81 3k58 h GLU 279 N -0.50 0.79 -0.11 2.37 4.39 -1.95 -1.97 114.58 117.59 3k58 h GLU 279 Ca -0.03 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 3k58 h GLU 279 Cb 0.38 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3k58 h GLU 279 CO 0.04 0.84 0.05 0.00 -1.16 0.00 0.00 179.01 178.78 3k58 h ALA 280 N 1.20 0.15 -0.76 3.43 0.00 -1.15 -1.18 119.26 120.94 3k58 h ALA 280 Ca 0.13 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3k58 h ALA 280 Cb 0.53 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3k58 h ALA 280 CO 0.03 -0.29 0.28 -0.07 0.00 0.00 0.00 179.25 179.20 3k58 h LEU 281 N 0.05 1.07 -1.21 0.00 4.07 -0.91 -1.80 115.31 116.59 3k58 h LEU 281 Ca 0.04 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 3k58 h LEU 281 Cb 0.13 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.55 3k58 h LEU 281 CO -0.00 0.97 0.41 0.11 -1.08 0.00 0.00 178.44 178.84 3k58 h LYS 282 N 1.12 0.95 0.00 1.13 1.57 -1.13 -1.13 116.57 119.08 3k58 h LYS 282 Ca 0.25 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 3k58 h LYS 282 Cb 0.25 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3k58 h LYS 282 CO -0.02 0.68 -0.21 0.66 -0.57 0.00 0.00 179.45 179.99 3k58 h SER 283 N 0.97 0.00 -0.54 0.86 4.64 -0.36 -2.00 113.55 117.11 3k58 h SER 283 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3k58 h SER 283 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3k58 h SER 283 CO -0.05 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 176.12 3k58 n ALA 284 N -2.41 3.04 -1.37 5.18 0.00 -0.49 -4.94 120.51 119.53 3k58 n ALA 284 Ca -0.02 -1.32 -0.13 0.00 0.00 0.00 0.00 53.44 51.97 3k58 n ALA 284 Cb 0.29 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 3k58 n ALA 284 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k58 n PHE 285 N 0.88 0.00 -2.53 0.00 3.72 -0.75 -4.80 117.46 113.97 3k58 n PHE 285 Ca 0.21 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.24 3k58 n PHE 285 Cb 0.78 -2.32 -0.04 0.00 -0.94 0.00 0.00 39.48 36.95 3k58 n PHE 285 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3k58 s TRP 286 N -2.46 3.39 0.01 1.38 0.52 -0.82 -5.02 118.94 115.93 3k58 s TRP 286 Ca 0.00 1.67 0.02 0.00 0.02 0.00 0.00 56.10 57.81 3k58 s TRP 286 Cb 0.00 -3.16 -0.01 0.00 -1.15 0.00 0.00 33.47 29.14 3k58 s TRP 286 CO 0.00 -0.55 -0.06 1.21 0.02 0.00 0.00 176.95 177.57 3k58 s ASN 287 N -1.35 0.70 0.11 2.95 3.84 -1.26 -4.52 114.94 115.40 3k58 s ASN 287 Ca 0.53 -0.26 -0.02 0.00 0.21 0.00 0.00 52.86 53.32 3k58 s ASN 287 Cb -0.25 -0.03 -0.04 0.00 -0.55 0.00 0.00 41.25 40.38 3k58 s ASN 287 CO 0.32 -0.03 0.05 -0.36 -2.79 0.00 0.00 177.10 174.28 3k58 s PHE 288 N -0.58 0.70 0.48 0.43 0.08 -1.26 -5.03 117.98 112.81 3k58 s PHE 288 Ca -0.02 -1.14 0.17 0.00 0.12 0.00 0.00 56.93 56.06 3k58 s PHE 288 Cb -0.05 -0.42 1.20 0.00 -0.57 0.00 0.00 43.02 43.19 3k58 s PHE 288 CO 0.00 -0.49 2.08 0.66 -0.10 0.00 0.00 175.22 177.37 3k58 h SER 289 N 2.94 0.00 -5.01 1.36 4.64 -2.01 -3.43 113.55 112.04 3k58 h SER 289 Ca -0.35 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.89 3k58 h SER 289 Cb 1.18 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.09 3k58 h SER 289 CO 0.61 0.10 -0.06 -0.55 -0.87 0.00 0.00 176.83 176.06 3k58 s SER 290 N -6.89 -0.38 -0.12 4.97 0.15 -1.26 -5.06 113.70 105.11 3k58 s SER 290 Ca -0.04 0.27 0.15 0.00 0.70 0.00 0.00 55.95 57.02 3k58 s SER 290 Cb 0.16 0.43 0.63 0.00 -1.71 0.00 0.00 66.02 65.53 3k58 s SER 290 CO 0.67 -0.58 1.51 0.49 1.20 0.00 0.00 173.24 176.52 3k58 n PHE 291 N 0.88 1.37 -1.52 3.44 3.72 -1.26 -4.36 117.46 119.73 3k58 n PHE 291 Ca -0.20 -0.53 -0.33 0.00 -0.05 0.00 0.00 57.45 56.35 3k58 n PHE 291 Cb 0.58 -0.26 0.07 0.00 -0.94 0.00 0.00 39.48 38.93 3k58 n PHE 291 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3k58 s SER 292 N -0.79 4.61 0.28 4.37 1.04 -1.26 -4.81 113.70 117.14 3k58 s SER 292 Ca 0.44 2.08 -0.03 0.00 0.48 0.00 0.00 55.95 58.92 3k58 s SER 292 Cb 0.29 -2.56 0.38 0.00 0.10 0.00 0.00 66.02 64.24 3k58 s SER 292 CO 0.19 -1.97 1.94 0.25 0.98 0.00 0.00 173.24 174.64 3k58 h LEU 293 N -0.38 1.00 -0.32 2.42 5.85 -1.99 -2.02 115.31 119.87 3k58 h LEU 293 Ca -0.46 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 3k58 h LEU 293 Cb 1.26 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 3k58 h LEU 293 CO 0.52 0.74 0.19 -0.08 -0.34 0.00 0.00 178.44 179.47 3k58 h GLU 294 N 1.17 0.43 -0.14 1.25 4.57 -1.97 0.33 114.58 120.22 3k58 h GLU 294 Ca 0.31 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.42 3k58 h GLU 294 Cb -0.10 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.40 3k58 h GLU 294 CO -0.06 0.32 -0.05 1.15 -1.18 0.00 0.00 179.01 179.18 3k58 h THR 295 N 0.41 1.30 -0.75 0.32 2.02 -1.83 -1.62 112.91 112.76 3k58 h THR 295 Ca 0.11 -1.05 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 3k58 h THR 295 Cb 0.00 1.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 3k58 h THR 295 CO -0.02 0.31 0.25 0.58 0.37 0.00 0.00 175.52 177.00 3k58 h VAL 296 N -0.04 1.26 -0.62 3.16 2.07 -1.28 -0.45 116.25 120.35 3k58 h VAL 296 Ca 0.03 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 3k58 h VAL 296 Cb 0.50 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3k58 h VAL 296 CO 0.02 0.35 0.19 0.00 0.02 0.00 0.00 177.57 178.15 3k58 h ALA 297 N 1.16 0.82 -0.17 1.67 0.00 -0.94 -0.61 119.26 121.18 3k58 h ALA 297 Ca 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3k58 h ALA 297 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3k58 h ALA 297 CO -0.01 0.49 0.06 0.37 0.00 0.00 0.00 179.25 180.16 3k58 h GLN 298 N 0.89 0.26 -0.24 0.00 -0.00 -0.86 0.92 115.11 116.09 3k58 h GLN 298 Ca 0.20 -0.05 -0.13 0.00 -0.00 0.00 0.00 58.65 58.66 3k58 h GLN 298 Cb 0.29 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.73 3k58 h GLN 298 CO -0.01 0.36 -0.38 0.93 0.00 0.00 0.00 178.83 179.74 3k58 h GLU 299 N 0.11 0.67 0.21 1.69 5.08 -1.02 -0.37 114.58 120.95 3k58 h GLU 299 Ca 0.06 -0.41 -0.32 0.00 -1.00 0.00 0.00 59.36 57.69 3k58 h GLU 299 Cb 0.20 0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.52 3k58 h GLU 299 CO -0.00 1.02 -1.40 -0.07 -1.00 0.00 0.00 179.01 177.56 3k58 h LEU 300 N 0.38 0.71 0.00 1.33 4.07 -1.17 -3.40 115.31 117.24 3k58 h LEU 300 Ca 0.02 -0.75 0.00 0.00 0.08 0.00 0.00 57.88 57.23 3k58 h LEU 300 Cb 0.97 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.48 3k58 h LEU 300 CO 0.09 1.59 -0.48 0.18 -1.08 0.00 0.00 178.44 178.73 3k58 n LEU 301 N -3.66 0.37 -0.18 1.67 4.77 0.29 -5.00 117.00 115.27 3k58 n LEU 301 Ca -0.14 -0.46 -0.02 0.00 -0.03 0.00 0.00 56.01 55.36 3k58 n LEU 301 Cb 1.08 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.16 3k58 n LEU 301 CO 0.58 0.09 -0.02 0.61 -1.33 0.00 0.00 177.39 177.33 3k58 n GLY 302 N 1.26 0.56 3.69 -0.72 0.00 -0.15 -4.97 105.19 104.87 3k58 n GLY 302 Ca 0.01 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 3k58 n GLY 302 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k58 s GLU 303 N -1.96 4.39 0.47 1.61 2.56 -1.19 -4.94 118.70 119.64 3k58 s GLU 303 Ca 0.00 1.61 -0.23 0.00 0.00 0.00 0.00 54.97 56.35 3k58 s GLU 303 Cb 0.00 -3.52 -0.07 0.00 2.00 0.00 0.00 34.13 32.54 3k58 s GLU 303 CO 0.00 -0.37 1.18 0.20 -0.56 0.00 0.00 175.26 175.71 3k58 s GLY 304 N 1.32 2.78 0.96 -1.50 0.00 -1.26 -3.55 107.32 106.06 3k58 s GLY 304 Ca 0.54 0.96 -0.14 0.00 0.00 0.00 0.00 44.72 46.09 3k58 s GLY 304 CO 0.22 1.42 1.17 0.54 0.00 0.00 0.00 173.10 176.45 3k58 s LYS 305 N -2.76 0.77 0.00 2.90 1.02 -1.26 -4.98 119.74 115.42 3k58 s LYS 305 Ca 0.65 0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.76 3k58 s LYS 305 Cb -0.29 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 3k58 s LYS 305 CO 0.35 -2.42 0.00 0.45 -0.92 0.00 0.00 175.35 172.82 3k58 n SER 306 N -3.88 0.00 0.00 2.83 2.88 -1.26 -5.22 113.62 108.97 3k58 n SER 306 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 3k58 n SER 306 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 3k58 n SER 306 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3k58 n ASN 309 N 0.00 0.00 -0.26 -3.46 2.85 -1.26 -5.13 115.26 108.00 3k58 n ASN 309 Ca 0.00 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 54.53 3k58 n ASN 309 Cb 0.00 0.00 0.20 0.00 1.24 0.00 0.00 39.78 41.22 3k58 n ASN 309 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3k58 h PRO 310 N 0.00 0.40 -0.50 1.20 0.13 -2.05 0.24 132.00 131.42 3k58 h PRO 310 Ca 0.00 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 3k58 h PRO 310 Cb 0.00 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.02 3k58 h PRO 310 CO 0.00 0.26 0.26 -1.49 -0.23 0.00 0.00 178.00 176.81 3k58 h TRP 311 N 0.41 0.69 -0.26 1.56 4.06 -2.06 0.57 115.95 120.93 3k58 h TRP 311 Ca 0.43 -0.02 -0.12 0.00 2.06 0.00 0.00 58.89 61.24 3k58 h TRP 311 Cb 0.69 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.62 3k58 h TRP 311 CO -0.18 0.53 -0.36 -0.44 -3.56 0.00 0.00 178.44 174.43 3k58 h ASP 312 N 0.66 0.60 -0.55 -3.49 3.32 -1.73 -2.21 116.42 113.03 3k58 h ASP 312 Ca 0.17 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3k58 h ASP 312 Cb 0.07 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3k58 h ASP 312 CO -0.03 0.91 0.29 -0.09 -1.72 0.00 0.00 179.24 178.60 3k58 h ARG 313 N 0.49 0.77 -0.58 3.56 2.43 -0.27 -0.32 114.38 120.46 3k58 h ARG 313 Ca 0.05 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3k58 h ARG 313 Cb 0.85 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 3k58 h ARG 313 CO 0.07 0.61 0.24 1.98 -1.51 0.00 0.00 179.97 181.36 3k58 h MET 314 N 0.74 0.87 -0.69 0.20 4.05 -0.68 -1.68 114.93 117.74 3k58 h MET 314 Ca 0.19 -0.15 -0.06 0.00 -0.28 0.00 0.00 59.70 59.40 3k58 h MET 314 Cb 0.07 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.70 3k58 h MET 314 CO -0.03 0.74 0.20 -0.44 0.23 0.00 0.00 176.91 177.61 3k58 h ASP 315 N 0.80 1.00 -0.63 1.39 3.32 -1.02 -2.05 116.42 119.23 3k58 h ASP 315 Ca 0.19 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3k58 h ASP 315 Cb 0.19 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3k58 h ASP 315 CO -0.02 0.94 0.30 -0.33 -1.72 0.00 0.00 179.24 178.41 3k58 h GLU 316 N 1.02 0.91 -0.62 3.56 4.39 -0.71 -0.03 114.58 123.11 3k58 h GLU 316 Ca 0.22 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 3k58 h GLU 316 Cb 0.31 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 3k58 h GLU 316 CO -0.01 0.74 0.22 0.82 -1.16 0.00 0.00 179.01 179.62 3k58 h ILE 317 N 0.87 1.24 -0.44 3.13 2.04 -1.12 0.28 117.51 123.51 3k58 h ILE 317 Ca 0.22 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 3k58 h ILE 317 Cb 0.13 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3k58 h ILE 317 CO -0.03 0.30 0.20 0.44 0.00 0.00 0.00 178.15 179.07 3k58 h ASP 318 N 0.87 0.58 -0.53 1.72 3.32 -0.89 -1.00 116.42 120.50 3k58 h ASP 318 Ca 0.20 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3k58 h ASP 318 Cb 0.25 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3k58 h ASP 318 CO -0.01 0.56 0.18 -0.09 -1.72 0.00 0.00 179.24 178.16 3k58 h ARG 319 N 0.57 0.82 -0.73 3.56 2.43 -0.76 -0.32 114.38 119.94 3k58 h ARG 319 Ca 0.15 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 3k58 h ARG 319 Cb 0.14 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3k58 h ARG 319 CO -0.02 0.74 0.21 0.00 -1.51 0.00 0.00 179.97 179.40 3k58 h ARG 320 N 0.73 1.14 -0.53 0.20 3.08 -0.81 0.51 114.38 118.71 3k58 h ARG 320 Ca 0.17 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 3k58 h ARG 320 Cb 0.25 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3k58 h ARG 320 CO -0.01 0.98 0.01 0.35 -1.07 0.00 0.00 179.97 180.23 3k58 h PHE 321 N 1.09 1.01 -0.07 3.04 3.57 -0.90 0.32 116.94 125.00 3k58 h PHE 321 Ca 0.23 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3k58 h PHE 321 Cb 0.33 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 3k58 h PHE 321 CO 0.03 0.93 -0.00 0.00 -2.23 0.00 0.00 178.31 177.03 3k58 h ALA 322 N 0.95 0.09 0.00 2.41 0.00 -0.51 -3.40 119.26 118.80 3k58 h ALA 322 Ca 0.15 -0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 3k58 h ALA 322 Cb 0.52 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3k58 h ALA 322 CO 0.03 -0.22 -2.05 -0.85 0.00 0.00 0.00 179.25 176.15 3k58 n GLU 323 N -4.85 1.14 -3.56 0.00 0.28 0.18 -4.93 120.64 108.90 3k58 n GLU 323 Ca -0.07 0.04 -0.29 0.00 -0.16 0.00 0.00 57.16 56.69 3k58 n GLU 323 Cb 0.20 -1.38 -0.12 0.00 1.43 0.00 0.00 31.44 31.57 3k58 n GLU 323 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3k58 s ASP 324 N -5.24 2.94 0.26 -1.84 -1.08 0.11 -4.09 116.67 107.73 3k58 s ASP 324 Ca -0.15 -2.67 0.01 0.00 -0.52 0.00 0.00 52.55 49.22 3k58 s ASP 324 Cb 0.05 -0.70 0.36 0.00 -1.46 0.00 0.00 42.92 41.17 3k58 s ASP 324 CO 0.54 -0.24 1.69 0.11 0.52 0.00 0.00 175.17 177.79 3k58 h LYS 325 N 6.46 0.53 -1.01 4.34 1.57 -1.63 -2.53 116.57 124.29 3k58 h LYS 325 Ca 0.10 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3k58 h LYS 325 Cb 0.92 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.15 3k58 h LYS 325 CO 0.39 0.75 0.66 -1.35 -0.57 0.00 0.00 179.45 179.33 3k58 h PRO 326 N 0.46 1.26 -0.34 3.15 0.11 -1.87 -0.81 132.00 133.96 3k58 h PRO 326 Ca 0.06 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 3k58 h PRO 326 Cb 0.70 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 3k58 h PRO 326 CO 0.05 0.83 -0.07 0.00 -0.21 0.00 0.00 178.00 178.60 3k58 h ALA 327 N 1.40 1.24 -0.34 -0.75 0.00 -1.80 -1.69 119.26 117.32 3k58 h ALA 327 Ca 0.40 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3k58 h ALA 327 Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3k58 h ALA 327 CO -0.12 0.50 -0.01 1.25 0.00 0.00 0.00 179.25 180.88 3k58 h LEU 328 N 0.53 0.60 -0.94 0.00 5.85 -0.97 -1.47 115.31 118.90 3k58 h LEU 328 Ca 0.10 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 3k58 h LEU 328 Cb 0.45 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3k58 h LEU 328 CO 0.02 0.77 0.50 0.00 -0.34 0.00 0.00 178.44 179.39 3k58 h ALA 329 N 0.85 1.19 -0.61 1.25 0.00 -0.92 0.27 119.26 121.29 3k58 h ALA 329 Ca 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3k58 h ALA 329 Cb 0.46 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3k58 h ALA 329 CO 0.02 0.66 0.27 1.15 0.00 0.00 0.00 179.25 181.34 3k58 h THR 330 N 1.25 1.22 -0.38 0.00 2.02 -1.19 0.43 112.91 116.26 3k58 h THR 330 Ca 0.32 -0.67 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 3k58 h THR 330 Cb 0.01 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3k58 h THR 330 CO -0.05 0.26 0.03 0.22 0.37 0.00 0.00 175.52 176.35 3k58 h TYR 331 N 0.84 0.69 0.02 3.16 3.20 -0.36 -1.69 116.97 122.82 3k58 h TYR 331 Ca 0.20 -0.11 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 3k58 h TYR 331 Cb 0.16 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.25 3k58 h TYR 331 CO 0.01 0.71 -0.01 -0.97 -1.64 0.00 0.00 178.16 176.26 3k58 h ASN 332 N 0.47 -0.02 0.10 -2.11 -1.24 -0.08 -2.33 115.58 110.37 3k58 h ASN 332 Ca 0.11 -0.03 -0.07 0.00 0.71 0.00 0.00 56.30 57.03 3k58 h ASN 332 Cb 0.41 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 3k58 h ASN 332 CO 0.01 0.01 -0.23 0.25 -1.29 0.00 0.00 177.43 176.19 3k58 h LEU 333 N -0.05 0.23 -0.91 0.34 5.85 -0.15 -2.65 115.31 117.97 3k58 h LEU 333 Ca -0.00 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 3k58 h LEU 333 Cb 0.05 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3k58 h LEU 333 CO 0.00 0.47 0.19 0.50 -0.34 0.00 0.00 178.44 179.26 3k58 h LYS 334 N 0.22 0.99 -0.52 1.25 3.64 -0.93 -0.67 116.57 120.54 3k58 h LYS 334 Ca 0.04 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.15 3k58 h LYS 334 Cb 0.53 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3k58 h LYS 334 CO 0.04 0.86 0.07 -0.91 -2.27 0.00 0.00 179.45 177.24 3k58 h ASN 335 N 0.95 0.78 -0.35 4.20 2.35 -1.08 -0.32 115.58 122.12 3k58 h ASN 335 Ca 0.21 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3k58 h ASN 335 Cb 0.29 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3k58 h ASN 335 CO -0.01 0.81 0.12 0.00 -1.65 0.00 0.00 177.43 176.70 3k58 h GLU 337 N 0.41 0.53 -0.72 0.00 5.08 -0.84 -2.38 114.58 116.65 3k58 h GLU 337 Ca 0.11 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3k58 h GLU 337 Cb 0.23 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3k58 h GLU 337 CO -0.01 0.66 0.23 -0.07 -1.00 0.00 0.00 179.01 178.83 3k58 h LEU 338 N 0.48 1.04 -0.38 1.33 3.38 -0.91 -0.14 115.31 120.10 3k58 h LEU 338 Ca 0.08 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3k58 h LEU 338 Cb 0.54 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3k58 h LEU 338 CO 0.03 0.96 -0.13 0.58 0.09 0.00 0.00 178.44 179.98 3k58 h VAL 339 N 1.07 1.28 -0.56 1.22 2.07 -1.31 -0.41 116.25 119.61 3k58 h VAL 339 Ca 0.24 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 3k58 h VAL 339 Cb 0.29 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3k58 h VAL 339 CO -0.01 0.41 0.35 0.74 0.02 0.00 0.00 177.57 179.08 3k58 h THR 340 N 0.57 1.16 -0.65 2.57 2.02 -1.09 -0.82 112.91 116.67 3k58 h THR 340 Ca 0.09 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.85 3k58 h THR 340 Cb 0.66 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3k58 h THR 340 CO 0.04 0.16 0.11 1.56 0.37 0.00 0.00 175.52 177.77 3k58 h GLN 341 N 0.76 1.06 -0.78 6.66 1.08 -0.92 -1.44 115.11 121.54 3k58 h GLN 341 Ca 0.20 -0.27 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 3k58 h GLN 341 Cb -0.03 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.23 3k58 h GLN 341 CO -0.04 0.97 0.38 0.82 -0.95 0.00 0.00 178.83 180.01 3k58 h ILE 342 N 1.00 1.25 -0.46 2.54 2.04 -0.53 0.69 117.51 124.02 3k58 h ILE 342 Ca 0.20 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3k58 h ILE 342 Cb 0.42 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3k58 h ILE 342 CO 0.01 0.29 0.21 -0.26 0.00 0.00 0.00 178.15 178.41 3k58 h PHE 343 N 1.10 0.68 -0.32 1.37 0.04 -0.76 -1.55 116.94 117.50 3k58 h PHE 343 Ca 0.27 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.94 3k58 h PHE 343 Cb 0.11 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 3k58 h PHE 343 CO 0.01 0.55 -0.04 0.45 -0.60 0.00 0.00 178.31 178.68 3k58 h HIS 344 N 0.61 0.65 -0.84 -0.55 3.86 -0.86 -1.89 115.15 116.12 3k58 h HIS 344 Ca 0.16 -0.13 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 3k58 h HIS 344 Cb 0.14 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.39 3k58 h HIS 344 CO -0.01 0.74 0.54 -0.22 0.86 0.00 0.00 177.93 179.85 3k58 h LYS 345 N 0.37 1.03 -0.00 2.45 1.63 -0.71 -1.50 116.57 119.84 3k58 h LYS 345 Ca 0.08 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3k58 h LYS 345 Cb 0.51 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 3k58 h LYS 345 CO 0.02 0.68 -0.17 0.25 -3.45 0.00 0.00 179.45 176.78 3k58 n THR 346 N -4.56 0.00 -3.44 1.00 -2.24 -0.60 -4.90 114.28 99.55 3k58 n THR 346 Ca 0.10 -0.04 -0.25 0.00 -2.27 0.00 0.00 64.05 61.60 3k58 n THR 346 Cb 0.08 -0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.23 3k58 n THR 346 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k58 n GLU 347 N -1.18 -4.43 -0.11 -0.78 1.02 -0.56 -4.87 120.64 109.72 3k58 n GLU 347 Ca 0.11 0.62 -0.03 0.00 -0.02 0.00 0.00 57.16 57.84 3k58 n GLU 347 Cb 0.31 -5.43 0.20 0.00 -0.02 0.00 0.00 31.44 26.50 3k58 n GLU 347 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3k58 h ILE 348 N -1.41 1.22 -0.37 -3.67 6.09 -1.77 -2.89 117.51 114.71 3k58 h ILE 348 Ca -0.50 -0.82 -0.05 0.00 -1.37 0.00 0.00 64.86 62.12 3k58 h ILE 348 Cb 1.33 0.71 -0.01 0.00 0.47 0.00 0.00 36.82 39.32 3k58 h ILE 348 CO 0.58 0.30 0.02 0.24 -3.07 0.00 0.00 178.15 176.22 3k58 h MET 349 N 0.76 0.63 -0.90 2.19 2.86 -1.90 -0.55 114.93 118.04 3k58 h MET 349 Ca 0.17 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3k58 h MET 349 Cb 0.30 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 3k58 h MET 349 CO 0.00 0.73 0.55 -1.35 1.06 0.00 0.00 176.91 177.90 3k58 h PRO 350 N 0.45 1.21 -0.21 -0.22 0.11 -1.94 0.29 132.00 131.70 3k58 h PRO 350 Ca 0.11 -0.10 0.02 0.00 0.11 0.00 0.00 66.00 66.13 3k58 h PRO 350 Cb 0.43 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 3k58 h PRO 350 CO 0.02 0.84 0.08 0.35 -0.21 0.00 0.00 178.00 179.08 3k58 h PHE 351 N 1.23 0.15 -0.52 0.65 3.57 -1.27 -0.13 116.94 120.62 3k58 h PHE 351 Ca 0.32 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 3k58 h PHE 351 Cb -0.06 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3k58 h PHE 351 CO -0.00 0.08 0.11 -0.07 -2.23 0.00 0.00 178.31 176.20 3k58 h LEU 352 N 0.19 0.76 -0.36 0.59 3.38 -0.46 0.83 115.31 120.23 3k58 h LEU 352 Ca 0.09 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3k58 h LEU 352 Cb 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3k58 h LEU 352 CO -0.08 0.76 0.01 -0.07 0.09 0.00 0.00 178.44 179.15 3k58 h LEU 353 N 0.78 0.61 -0.52 1.67 3.38 -0.56 -0.41 115.31 120.26 3k58 h LEU 353 Ca 0.17 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3k58 h LEU 353 Cb 0.32 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3k58 h LEU 353 CO 0.00 0.76 0.17 -0.33 0.09 0.00 0.00 178.44 179.14 3k58 h GLU 354 N 0.44 0.80 -0.49 1.13 4.39 -0.70 -1.54 114.58 118.61 3k58 h GLU 354 Ca 0.10 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 3k58 h GLU 354 Cb 0.45 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3k58 h GLU 354 CO 0.02 0.73 0.17 -0.09 -1.16 0.00 0.00 179.01 178.68 3k58 h ARG 355 N 0.70 0.75 -0.86 2.33 2.43 -0.69 -1.88 114.38 117.16 3k58 h ARG 355 Ca 0.17 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3k58 h ARG 355 Cb 0.26 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 3k58 h ARG 355 CO -0.01 0.69 0.43 0.00 -1.51 0.00 0.00 179.97 179.57 3k58 h ALA 356 N 1.02 1.13 -0.50 2.80 0.00 -0.97 -0.63 119.26 122.11 3k58 h ALA 356 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3k58 h ALA 356 Cb 0.24 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3k58 h ALA 356 CO -0.01 0.66 0.31 1.15 0.00 0.00 0.00 179.25 181.37 3k58 h THR 357 N 1.22 1.14 0.03 0.00 2.02 -0.76 -1.38 112.91 115.17 3k58 h THR 357 Ca 0.30 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 3k58 h THR 357 Cb 0.09 0.42 0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3k58 h THR 357 CO -0.04 0.14 -0.29 0.58 0.37 0.00 0.00 175.52 176.27 3k58 h VAL 358 N 0.68 1.60 0.00 3.16 2.07 -0.67 -3.40 116.25 119.69 3k58 h VAL 358 Ca 0.18 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.55 3k58 h VAL 358 Cb -0.05 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 3k58 h VAL 358 CO -0.04 0.58 -0.44 -0.46 0.02 0.00 0.00 177.57 177.24 3k58 n ASN 359 N -4.46 0.45 0.00 0.57 0.23 -0.31 -4.96 115.26 106.77 3k58 n ASN 359 Ca -0.11 -0.10 0.00 0.00 -0.53 0.00 0.00 54.58 53.84 3k58 n ASN 359 Cb 0.56 0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.39 3k58 n ASN 359 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k58 n GLY 360 N 1.48 0.98 3.93 4.83 0.00 -0.53 -4.52 105.19 111.37 3k58 n GLY 360 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 3k58 n GLY 360 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k58 s LEU 361 N 0.00 3.68 0.63 0.99 1.43 -1.26 -4.89 118.68 119.27 3k58 s LEU 361 Ca 0.00 0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 53.46 3k58 s LEU 361 Cb 0.00 -3.42 -0.02 0.00 0.03 0.00 0.00 46.19 42.78 3k58 s LEU 361 CO 0.00 -0.62 1.28 -2.84 0.23 0.00 0.00 176.35 174.41 3k58 s PRO 362 N -4.60 2.64 0.35 1.29 0.02 -1.26 -4.68 135.00 128.76 3k58 s PRO 362 Ca 0.47 2.04 0.07 0.00 0.02 0.00 0.00 61.00 63.59 3k58 s PRO 362 Cb -0.10 -1.88 0.76 0.00 0.02 0.00 0.00 34.50 33.30 3k58 s PRO 362 CO 0.40 -1.52 1.90 0.28 -0.33 0.00 0.00 177.00 177.73 3k58 h VAL 363 N 0.64 0.93 -0.36 3.83 2.07 -1.88 -1.25 116.25 120.22 3k58 h VAL 363 Ca -0.51 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3k58 h VAL 363 Cb 1.33 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3k58 h VAL 363 CO 0.54 0.14 0.00 -0.90 0.02 0.00 0.00 177.57 177.36 3k58 n ASP 364 N -4.52 1.97 -4.59 0.57 5.68 -1.26 -4.83 116.55 109.57 3k58 n ASP 364 Ca 0.15 -2.02 -0.39 0.00 -0.50 0.00 0.00 54.79 52.03 3k58 n ASP 364 Cb 0.36 -0.25 -0.10 0.00 -1.14 0.00 0.00 41.12 39.98 3k58 n ASP 364 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3k58 s ARG 365 N -1.53 3.91 0.30 0.11 3.52 -0.48 -5.01 118.95 119.78 3k58 s ARG 365 Ca 0.24 -0.18 0.02 0.00 -0.13 0.00 0.00 55.73 55.68 3k58 s ARG 365 Cb 0.13 -3.68 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 3k58 s ARG 365 CO 0.16 -0.28 0.48 -1.01 -0.81 0.00 0.00 175.30 173.84 3k58 s HIS 366 N 1.93 3.48 0.00 5.12 3.76 -1.26 -4.81 115.29 123.51 3k58 s HIS 366 Ca 0.11 0.22 0.00 0.00 -0.15 0.00 0.00 55.06 55.24 3k58 s HIS 366 Cb -0.16 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 31.75 3k58 s HIS 366 CO 0.11 0.25 0.00 0.41 -0.85 0.00 0.00 174.74 174.65 3k58 n GLY 367 N -1.61 2.84 3.14 -2.22 0.00 -1.26 -4.92 105.19 101.17 3k58 n GLY 367 Ca -0.06 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 3k58 n GLY 367 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k58 n GLY 368 N 0.00 -0.45 0.37 -0.02 0.00 -1.26 -4.92 105.19 98.91 3k58 n GLY 368 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.17 3k58 n GLY 368 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k58 h SER 369 N -1.78 1.03 -0.16 1.61 0.02 -1.97 0.10 113.55 112.40 3k58 h SER 369 Ca -0.51 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.41 3k58 h SER 369 Cb 1.35 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 3k58 h SER 369 CO 0.53 0.64 -0.07 0.58 -1.14 0.00 0.00 176.83 177.38 3k58 h VAL 370 N 1.16 1.31 -0.46 2.27 2.07 -1.93 -1.44 116.25 119.23 3k58 h VAL 370 Ca 0.44 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 3k58 h VAL 370 Cb 0.20 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3k58 h VAL 370 CO -0.18 0.32 0.01 0.00 0.02 0.00 0.00 177.57 177.74 3k58 h ALA 371 N 0.68 1.14 -0.52 1.67 0.00 -1.83 -1.81 119.26 118.59 3k58 h ALA 371 Ca 0.04 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3k58 h ALA 371 Cb 0.54 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3k58 h ALA 371 CO 0.02 0.55 0.04 0.00 0.00 0.00 0.00 179.25 179.86 3k58 h ALA 372 N 1.29 0.69 -0.13 0.00 0.00 -0.76 -1.04 119.26 119.32 3k58 h ALA 372 Ca 0.14 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3k58 h ALA 372 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3k58 h ALA 372 CO 0.02 0.48 0.04 0.35 0.00 0.00 0.00 179.25 180.13 3k58 h PHE 373 N 0.76 0.07 -0.49 0.00 3.57 -1.00 -2.06 116.94 117.79 3k58 h PHE 373 Ca 0.15 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.69 3k58 h PHE 373 Cb 0.47 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 3k58 h PHE 373 CO 0.04 0.03 0.26 0.78 -2.23 0.00 0.00 178.31 177.19 3k58 h GLY 374 N 0.10 0.68 0.92 2.40 0.00 -1.02 0.22 103.07 106.37 3k58 h GLY 374 Ca 0.06 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.22 3k58 h GLY 374 CO -0.06 0.13 0.25 0.84 0.00 0.00 0.00 176.54 177.70 3k58 h HIS 375 N 0.51 0.47 -0.18 5.60 -0.00 -0.91 -0.08 115.15 120.57 3k58 h HIS 375 Ca 0.21 0.01 -0.21 0.00 -0.00 0.00 0.00 60.37 60.38 3k58 h HIS 375 Cb 0.09 -0.15 0.01 0.00 -0.00 0.00 0.00 27.41 27.36 3k58 h HIS 375 CO -0.09 0.28 -0.72 -0.07 -0.00 0.00 0.00 177.93 177.32 3k58 h LEU 376 N 0.51 0.90 -0.27 0.26 3.38 -1.15 -3.36 115.31 115.57 3k58 h LEU 376 Ca 0.16 -0.56 -0.12 0.00 0.09 0.00 0.00 57.88 57.45 3k58 h LEU 376 Cb -0.00 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3k58 h LEU 376 CO -0.07 1.36 -0.30 0.22 0.09 0.00 0.00 178.44 179.73 3k58 h TYR 377 N 0.54 0.82 -0.31 1.13 3.20 -0.25 -3.39 116.97 118.72 3k58 h TYR 377 Ca -0.04 -0.26 0.07 0.00 3.14 0.00 0.00 58.73 61.65 3k58 h TYR 377 Cb 1.34 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 39.36 3k58 h TYR 377 CO 0.08 1.00 -0.20 0.74 -1.64 0.00 0.00 178.16 178.14 3k58 h PHE 378 N 0.41 -0.51 -0.79 -3.82 -1.00 -1.16 -0.14 116.94 109.93 3k58 h PHE 378 Ca 0.04 0.04 0.04 0.00 2.81 0.00 0.00 57.97 60.89 3k58 h PHE 378 Cb 0.88 0.27 -0.05 0.00 3.61 0.00 0.00 35.95 40.66 3k58 h PHE 378 CO 0.08 -0.28 0.50 -1.00 -1.61 0.00 0.00 178.31 176.00 3k58 h PRO 379 N -0.16 0.93 -0.53 1.51 0.13 -1.77 0.14 132.00 132.25 3k58 h PRO 379 Ca 0.16 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 65.14 3k58 h PRO 379 Cb 0.41 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.31 3k58 h PRO 379 CO -0.41 0.62 -0.06 0.00 -0.23 0.00 0.00 178.00 177.92 3k58 h ARG 380 N 0.96 0.97 -0.46 0.86 3.08 -1.66 -1.53 114.38 116.60 3k58 h ARG 380 Ca 0.32 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3k58 h ARG 380 Cb 0.04 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3k58 h ARG 380 CO -0.12 1.01 0.18 1.98 -1.07 0.00 0.00 179.97 181.94 3k58 h MET 381 N 0.84 0.70 -0.52 0.04 4.05 -0.50 -1.82 114.93 117.72 3k58 h MET 381 Ca 0.14 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 3k58 h MET 381 Cb 0.61 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.27 3k58 h MET 381 CO 0.04 0.64 0.22 0.45 0.23 0.00 0.00 176.91 178.49 3k58 h HIS 382 N 0.61 0.79 -0.38 1.39 3.86 -0.88 -1.86 115.15 118.68 3k58 h HIS 382 Ca 0.15 -0.06 0.04 0.00 -1.16 0.00 0.00 60.37 59.35 3k58 h HIS 382 Cb 0.21 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 3k58 h HIS 382 CO 0.00 0.64 0.26 0.00 0.86 0.00 0.00 177.93 179.70 3k58 h ARG 383 N 0.71 0.36 -0.00 2.45 2.47 -1.05 0.11 114.38 119.42 3k58 h ARG 383 Ca 0.18 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 3k58 h ARG 383 Cb 0.18 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 3k58 h ARG 383 CO -0.02 0.24 0.00 0.00 0.56 0.00 0.00 179.97 180.75 3k58 n ALA 384 N -2.51 2.66 -0.33 0.04 0.00 -0.70 -4.89 120.51 114.78 3k58 n ALA 384 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3k58 n ALA 384 Cb 0.18 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3k58 n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k58 n GLY 385 N 0.95 0.81 3.22 0.00 0.00 0.38 -5.06 105.19 105.50 3k58 n GLY 385 Ca 0.21 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 3k58 n GLY 385 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k58 s TYR 386 N -2.00 1.33 0.13 1.61 2.02 -0.78 -1.12 117.35 118.53 3k58 s TYR 386 Ca 0.00 -0.56 0.06 0.00 -0.37 0.00 0.00 57.07 56.20 3k58 s TYR 386 Cb 0.00 -0.71 -0.04 0.00 -0.40 0.00 0.00 41.96 40.81 3k58 s TYR 386 CO 0.00 0.11 -0.01 0.14 -1.57 0.00 0.00 175.55 174.22 3k58 s VAL 387 N -2.07 3.81 0.35 0.71 -7.23 -0.18 -3.30 120.40 112.48 3k58 s VAL 387 Ca 0.07 -1.21 -0.28 0.00 -1.81 0.00 0.00 61.98 58.75 3k58 s VAL 387 Cb -0.05 -2.85 -0.11 0.00 0.56 0.00 0.00 36.38 33.93 3k58 s VAL 387 CO 0.02 0.02 1.38 0.00 -0.31 0.00 0.00 175.10 176.21 3k58 s ALA 388 N -1.47 3.53 0.86 1.32 0.00 -1.26 -4.26 121.76 120.48 3k58 s ALA 388 Ca 0.26 1.38 -0.12 0.00 0.00 0.00 0.00 51.96 53.48 3k58 s ALA 388 Cb -0.11 -3.53 0.11 0.00 0.00 0.00 0.00 23.12 19.59 3k58 s ALA 388 CO 0.18 -0.80 1.12 -1.25 0.00 0.00 0.00 175.76 175.00 3k58 s PRO 389 N -1.91 1.53 0.52 0.00 0.04 -1.26 -4.49 135.00 129.43 3k58 s PRO 389 Ca 0.50 0.47 0.04 0.00 0.04 0.00 0.00 61.00 62.05 3k58 s PRO 389 Cb -0.42 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.28 3k58 s PRO 389 CO 0.57 -1.97 0.72 -0.80 0.04 0.00 0.00 177.00 175.56 3k58 s ASN 390 N -3.93 5.35 0.59 6.66 0.02 -1.26 -4.82 114.94 117.55 3k58 s ASN 390 Ca 0.62 -0.22 -0.17 0.00 -1.02 0.00 0.00 52.86 52.07 3k58 s ASN 390 Cb -0.15 -0.68 -0.03 0.00 0.02 0.00 0.00 41.25 40.41 3k58 s ASN 390 CO 0.54 -1.06 1.11 -0.76 0.02 0.00 0.00 177.10 176.95 3k58 s LEU 391 N -4.63 3.57 0.00 0.60 1.43 -1.26 -3.68 118.68 114.71 3k58 s LEU 391 Ca 0.57 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.71 3k58 s LEU 391 Cb -0.10 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.56 3k58 s LEU 391 CO 0.37 -1.36 0.00 0.61 0.23 0.00 0.00 176.35 176.20 3k58 n GLY 392 N -0.29 0.75 0.13 -3.19 0.00 -1.26 -4.93 105.19 96.39 3k58 n GLY 392 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 3k58 n GLY 392 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3k58 h GLU 393 N 2.63 0.00 -4.96 1.61 5.08 -1.91 -3.44 114.58 113.59 3k58 h GLU 393 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 3k58 h GLU 393 Cb 0.00 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 28.91 3k58 h GLU 393 CO 0.00 0.00 -0.85 0.08 -1.00 0.00 0.00 179.01 177.24 3k58 s VAL 394 N -3.14 1.68 0.30 3.13 1.01 -1.26 -5.11 120.40 117.01 3k58 s VAL 394 Ca 0.09 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 3k58 s VAL 394 Cb 0.11 -1.50 -0.11 0.00 0.00 0.00 0.00 36.38 34.88 3k58 s VAL 394 CO 0.63 0.48 1.56 -2.84 0.00 0.00 0.00 175.10 174.93 3k58 s PRO 395 N 0.70 4.14 0.25 2.72 0.02 -1.26 -4.92 135.00 136.64 3k58 s PRO 395 Ca -0.12 2.53 -0.30 0.00 0.02 0.00 0.00 61.00 63.13 3k58 s PRO 395 Cb -0.16 -3.03 -0.10 0.00 0.02 0.00 0.00 34.50 31.23 3k58 s PRO 395 CO 0.03 -0.58 1.42 -1.25 -0.33 0.00 0.00 177.00 176.28 3k58 s PRO 396 N -0.67 4.28 -0.15 5.54 0.04 -1.26 -4.86 135.00 137.93 3k58 s PRO 396 Ca 0.61 2.27 -0.13 0.00 0.04 0.00 0.00 61.00 63.79 3k58 s PRO 396 Cb -0.47 -3.12 0.04 0.00 0.04 0.00 0.00 34.50 30.99 3k58 s PRO 396 CO 0.49 -0.40 0.39 -1.01 0.04 0.00 0.00 177.00 176.51 3k58 s HIS 397 N -0.03 -0.43 0.66 0.56 3.76 -1.26 -5.14 115.29 113.42 3k58 s HIS 397 Ca 0.59 1.04 -0.14 0.00 -0.15 0.00 0.00 55.06 56.40 3k58 s HIS 397 Cb -0.41 0.15 -0.00 0.00 1.11 0.00 0.00 32.58 33.42 3k58 s HIS 397 CO 0.43 -0.21 1.08 0.00 -0.85 0.00 0.00 174.74 175.20 3k58 s ALA 398 N 0.21 2.55 -0.01 -1.40 0.00 -1.26 -4.74 121.76 117.11 3k58 s ALA 398 Ca -0.00 0.38 0.05 0.00 0.00 0.00 0.00 51.96 52.40 3k58 s ALA 398 Cb -0.03 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 3k58 s ALA 398 CO 0.00 -1.20 -0.18 -1.12 0.00 0.00 0.00 175.76 173.27 3k58 s SER 399 N -2.96 2.09 0.81 0.00 0.01 -1.26 -5.03 113.70 107.35 3k58 s SER 399 Ca 0.64 -0.32 -0.13 0.00 1.31 0.00 0.00 55.95 57.44 3k58 s SER 399 Cb -0.17 -0.23 0.08 0.00 0.21 0.00 0.00 66.02 65.91 3k58 s SER 399 CO 0.44 0.22 1.20 -2.16 0.41 0.00 0.00 173.24 173.35 3k58 s PRO 400 N -0.43 1.66 0.00 12.44 0.04 -1.26 -5.01 135.00 142.44 3k58 s PRO 400 Ca 0.07 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.83 3k58 s PRO 400 Cb -0.07 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.69 3k58 s PRO 400 CO -0.01 -2.19 0.00 0.41 0.04 0.00 0.00 177.00 175.25 3k58 n GLY 401 N 0.39 1.57 3.83 0.56 0.00 -1.26 -4.81 105.19 105.48 3k58 n GLY 401 Ca 0.13 -1.88 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 3k58 n GLY 401 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k58 s GLY 402 N -0.45 1.95 -0.18 -0.02 0.00 -1.26 -4.83 107.32 102.54 3k58 s GLY 402 Ca 0.00 0.17 -0.20 0.00 0.00 0.00 0.00 44.72 44.69 3k58 s GLY 402 CO 0.00 0.46 0.60 -0.47 0.00 0.00 0.00 173.10 173.69 3k58 s TYR 403 N -2.74 3.40 -0.24 1.90 5.04 -1.26 -4.83 117.35 118.63 3k58 s TYR 403 Ca 0.59 0.92 -0.04 0.00 -2.44 0.00 0.00 57.07 56.11 3k58 s TYR 403 Cb -0.12 -2.75 0.00 0.00 0.35 0.00 0.00 41.96 39.44 3k58 s TYR 403 CO 0.40 -0.11 -0.03 0.08 -1.34 0.00 0.00 175.55 174.56 3k58 s VAL 404 N 1.64 3.30 0.34 3.14 1.01 -1.26 -0.28 120.40 128.30 3k58 s VAL 404 Ca 0.28 -0.68 -0.28 0.00 0.00 0.00 0.00 61.98 61.30 3k58 s VAL 404 Cb -0.16 -2.58 -0.09 0.00 0.00 0.00 0.00 36.38 33.54 3k58 s VAL 404 CO 0.11 0.31 1.21 -0.32 0.00 0.00 0.00 175.10 176.41 3k58 s MET 405 N 1.44 4.31 0.26 2.72 1.75 0.14 -4.99 119.30 124.93 3k58 s MET 405 Ca 0.04 2.00 -0.30 0.00 -1.25 0.00 0.00 55.69 56.18 3k58 s MET 405 Cb -0.15 -2.96 -0.10 0.00 2.84 0.00 0.00 34.83 34.45 3k58 s MET 405 CO -0.03 -0.15 1.46 -0.51 -0.65 0.00 0.00 175.02 175.14 3k58 s ASP 406 N -0.79 6.61 0.15 1.11 1.01 -1.26 -4.45 116.67 119.06 3k58 s ASP 406 Ca 0.51 2.72 0.02 0.00 0.71 0.00 0.00 52.55 56.50 3k58 s ASP 406 Cb -0.35 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 40.92 3k58 s ASP 406 CO 0.46 -0.73 0.29 -0.94 0.21 0.00 0.00 175.17 174.46 3k58 s SER 407 N 0.34 6.35 -0.44 0.27 1.04 -1.26 -4.63 113.70 115.37 3k58 s SER 407 Ca 0.59 0.21 -0.16 0.00 0.48 0.00 0.00 55.95 57.07 3k58 s SER 407 Cb -0.43 -1.93 0.04 0.00 0.10 0.00 0.00 66.02 63.80 3k58 s SER 407 CO 0.45 0.05 0.39 -0.60 0.98 0.00 0.00 173.24 174.50 3k58 s ARG 408 N -3.20 3.02 0.61 4.02 3.52 -0.22 -4.01 118.95 122.69 3k58 s ARG 408 Ca 0.35 -1.01 -0.18 0.00 -0.13 0.00 0.00 55.73 54.76 3k58 s ARG 408 Cb -0.11 -4.02 -0.03 0.00 -1.56 0.00 0.00 34.95 29.23 3k58 s ARG 408 CO 0.29 -0.88 1.22 -1.25 -0.81 0.00 0.00 175.30 173.86 3k58 s PRO 409 N 1.88 2.84 0.00 5.12 0.04 -1.26 -4.80 135.00 138.82 3k58 s PRO 409 Ca 0.08 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.96 3k58 s PRO 409 Cb -0.20 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3k58 s PRO 409 CO 0.10 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.24 3k58 n GLY 410 N 0.53 1.97 3.28 0.56 0.00 0.50 -4.95 105.19 107.07 3k58 n GLY 410 Ca 0.14 -1.33 -0.35 0.00 0.00 0.00 0.00 46.02 44.48 3k58 n GLY 410 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k58 s LEU 411 N 0.00 2.83 0.38 0.99 2.96 -1.26 -0.41 118.68 124.17 3k58 s LEU 411 Ca 0.00 -0.46 0.08 0.00 -0.22 0.00 0.00 54.13 53.53 3k58 s LEU 411 Cb 0.00 -1.70 -0.07 0.00 0.50 0.00 0.00 46.19 44.92 3k58 s LEU 411 CO 0.00 -0.03 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.67 3k58 s TYR 412 N 1.44 2.49 0.00 5.38 2.02 0.13 -4.98 117.35 123.83 3k58 s TYR 412 Ca 0.05 -0.57 0.00 0.00 -0.37 0.00 0.00 57.07 56.18 3k58 s TYR 412 Cb -0.14 -1.60 0.00 0.00 -0.40 0.00 0.00 41.96 39.81 3k58 s TYR 412 CO -0.05 0.49 0.00 -0.25 -1.57 0.00 0.00 175.55 174.17 3k58 n ASP 413 N -0.92 0.00 -4.67 2.29 8.00 -1.26 -1.31 116.55 118.68 3k58 n ASP 413 Ca -0.05 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.03 3k58 n ASP 413 Cb 0.65 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 3k58 n ASP 413 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3k58 s SER 414 N -1.00 6.72 -0.06 -2.24 0.01 -1.20 -3.12 113.70 112.81 3k58 s SER 414 Ca 0.00 2.23 0.01 0.00 1.31 0.00 0.00 55.95 59.50 3k58 s SER 414 Cb 0.00 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.70 3k58 s SER 414 CO 0.00 -0.85 -0.07 -0.69 0.41 0.00 0.00 173.24 172.03 3k58 s VAL 415 N 3.28 0.78 0.04 3.43 1.01 -0.14 -1.86 120.40 126.94 3k58 s VAL 415 Ca 0.70 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3k58 s VAL 415 Cb -0.33 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3k58 s VAL 415 CO 0.28 0.28 0.15 -0.76 0.00 0.00 0.00 175.10 175.06 3k58 s LEU 416 N 0.88 4.15 -0.20 3.92 1.43 0.56 -0.21 118.68 129.21 3k58 s LEU 416 Ca -0.11 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 3k58 s LEU 416 Cb -0.15 -2.68 0.02 0.00 0.03 0.00 0.00 46.19 43.41 3k58 s LEU 416 CO 0.01 0.20 -0.15 -0.69 0.23 0.00 0.00 176.35 175.95 3k58 s VAL 417 N -1.40 2.35 -0.12 -1.59 1.01 -0.16 -0.39 120.40 120.10 3k58 s VAL 417 Ca 0.31 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 3k58 s VAL 417 Cb -0.13 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3k58 s VAL 417 CO 0.23 0.42 -0.05 -0.76 0.00 0.00 0.00 175.10 174.94 3k58 s LEU 418 N 1.30 3.24 -0.02 3.92 1.43 -0.57 -1.72 118.68 126.27 3k58 s LEU 418 Ca 0.03 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 3k58 s LEU 418 Cb -0.14 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.35 3k58 s LEU 418 CO -0.10 0.26 -0.00 -0.62 0.23 0.00 0.00 176.35 176.12 3k58 s ASP 419 N -0.19 0.30 0.40 2.29 2.15 -0.55 -0.85 116.67 120.22 3k58 s ASP 419 Ca 0.03 -0.02 -0.26 0.00 0.43 0.00 0.00 52.55 52.74 3k58 s ASP 419 Cb -0.13 -0.14 -0.09 0.00 -0.30 0.00 0.00 42.92 42.27 3k58 s ASP 419 CO 0.02 -0.07 1.24 -0.31 -0.17 0.00 0.00 175.17 175.89 3k58 s TYR 420 N 0.71 2.94 -0.22 -5.34 2.02 -0.46 -0.98 117.35 116.02 3k58 s TYR 420 Ca -0.07 1.48 -0.29 0.00 -0.37 0.00 0.00 57.07 57.82 3k58 s TYR 420 Cb -0.10 -3.54 0.01 0.00 -0.40 0.00 0.00 41.96 37.93 3k58 s TYR 420 CO -0.01 -1.72 1.03 0.21 -1.57 0.00 0.00 175.55 173.48 3k58 s LYS 421 N -2.25 4.27 -1.04 -0.62 2.20 -0.01 -4.09 119.74 118.20 3k58 s LYS 421 Ca 0.57 1.35 -0.18 0.00 -0.36 0.00 0.00 55.97 57.34 3k58 s LYS 421 Cb -0.35 -3.63 0.02 0.00 -1.51 0.00 0.00 37.83 32.36 3k58 s LYS 421 CO 0.44 -0.61 0.67 0.43 -0.36 0.00 0.00 175.35 175.93 3k58 n SER 422 N 6.23 -4.76 0.16 1.43 7.64 -1.26 -4.60 113.62 118.46 3k58 n SER 422 Ca 0.12 -1.08 -0.14 0.00 1.01 0.00 0.00 58.87 58.78 3k58 n SER 422 Cb 0.46 -2.09 -0.07 0.00 -1.01 0.00 0.00 64.21 61.51 3k58 n SER 422 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3k58 h LEU 423 N -1.51 -0.69 -1.01 -3.43 5.85 -1.97 0.87 115.31 113.43 3k58 h LEU 423 Ca -0.64 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.11 3k58 h LEU 423 Cb 1.38 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.61 3k58 h LEU 423 CO 0.45 -0.36 0.32 1.88 -0.34 0.00 0.00 178.44 180.38 3k58 h TYR 424 N -0.53 1.03 -0.58 1.25 -1.99 -1.96 -0.01 116.97 114.18 3k58 h TYR 424 Ca -0.00 -0.05 -0.10 0.00 2.00 0.00 0.00 58.73 60.58 3k58 h TYR 424 Cb 0.50 -0.32 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 3k58 h TYR 424 CO -0.18 0.77 -0.01 -1.35 -0.00 0.00 0.00 178.16 177.39 3k58 h PRO 425 N 1.02 1.02 -0.26 4.88 0.11 -1.81 -0.76 132.00 136.19 3k58 h PRO 425 Ca 0.24 -0.32 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 3k58 h PRO 425 Cb 0.14 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 3k58 h PRO 425 CO -0.03 1.01 -0.07 0.66 -0.21 0.00 0.00 178.00 179.36 3k58 h SER 426 N 0.93 0.40 -0.36 -2.05 4.64 -0.08 -0.65 113.55 116.38 3k58 h SER 426 Ca 0.17 -0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.33 3k58 h SER 426 Cb 0.56 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3k58 h SER 426 CO 0.03 0.52 -0.06 0.40 -0.87 0.00 0.00 176.83 176.84 3k58 h ILE 427 N 0.40 1.27 -0.56 0.95 2.04 -0.51 0.63 117.51 121.73 3k58 h ILE 427 Ca 0.08 -1.11 0.02 0.00 1.00 0.00 0.00 64.86 64.85 3k58 h ILE 427 Cb 0.38 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 3k58 h ILE 427 CO 0.02 0.37 0.34 0.40 0.00 0.00 0.00 178.15 179.28 3k58 h ILE 428 N 0.48 1.08 -0.31 -0.67 2.04 -0.46 0.48 117.51 120.14 3k58 h ILE 428 Ca 0.09 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 3k58 h ILE 428 Cb 0.56 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3k58 h ILE 428 CO 0.03 0.12 0.05 0.03 0.00 0.00 0.00 178.15 178.39 3k58 h ARG 429 N 0.68 0.50 -0.07 2.37 3.08 -0.93 -1.35 114.38 118.67 3k58 h ARG 429 Ca 0.22 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 3k58 h ARG 429 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3k58 h ARG 429 CO -0.09 0.60 -0.16 1.15 -1.07 0.00 0.00 179.97 180.39 3k58 h THR 430 N 0.33 1.42 -0.69 2.04 2.02 -0.70 -3.34 112.91 113.99 3k58 h THR 430 Ca 0.09 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.77 3k58 h THR 430 Cb 0.33 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 3k58 h THR 430 CO 0.01 0.42 0.00 0.49 0.37 0.00 0.00 175.52 176.81 3k58 n PHE 431 N -4.59 0.99 -3.86 3.16 3.72 0.14 -4.57 117.46 112.46 3k58 n PHE 431 Ca -0.08 -0.48 -0.28 0.00 -0.05 0.00 0.00 57.45 56.56 3k58 n PHE 431 Cb 0.39 -0.03 0.03 0.00 -0.94 0.00 0.00 39.48 38.94 3k58 n PHE 431 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3k58 n LEU 432 N 1.48 -2.69 -4.70 4.37 4.77 -0.53 -4.91 117.00 114.79 3k58 n LEU 432 Ca 0.23 -0.78 -0.42 0.00 -0.03 0.00 0.00 56.01 55.01 3k58 n LEU 432 Cb 0.62 -2.59 -0.03 0.00 -2.33 0.00 0.00 43.42 39.09 3k58 n LEU 432 CO 0.17 0.46 1.12 -0.63 -1.33 0.00 0.00 177.39 177.19 3k58 s ILE 433 N -3.39 3.42 -0.21 -0.08 -1.09 -1.08 -4.78 121.20 113.99 3k58 s ILE 433 Ca 0.51 0.93 -0.27 0.00 -2.23 0.00 0.00 60.65 59.60 3k58 s ILE 433 Cb -0.26 -3.60 0.09 0.00 -1.58 0.00 0.00 42.46 37.12 3k58 s ILE 433 CO 0.82 0.03 0.82 -0.62 -1.23 0.00 0.00 174.94 174.77 3k58 s ASP 434 N 1.60 -0.61 0.04 3.58 2.15 -1.26 -4.49 116.67 117.68 3k58 s ASP 434 Ca 0.66 1.03 -0.25 0.00 0.43 0.00 0.00 52.55 54.42 3k58 s ASP 434 Cb -0.35 0.99 -0.17 0.00 -0.30 0.00 0.00 42.92 43.09 3k58 s ASP 434 CO 0.29 -0.31 1.50 -0.65 -0.17 0.00 0.00 175.17 175.83 3k58 h PRO 435 N 4.10 -0.13 -0.57 4.34 0.11 -1.93 0.42 132.00 138.35 3k58 h PRO 435 Ca -0.27 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 3k58 h PRO 435 Cb 1.16 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3k58 h PRO 435 CO 0.17 0.09 0.18 0.28 -0.21 0.00 0.00 178.00 178.50 3k58 h VAL 436 N -0.34 1.24 -0.88 3.15 2.07 -1.97 -2.70 116.25 116.81 3k58 h VAL 436 Ca -0.01 -0.81 0.07 0.00 0.82 0.00 0.00 66.70 66.77 3k58 h VAL 436 Cb 0.29 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3k58 h VAL 436 CO 0.02 0.30 0.57 1.23 0.02 0.00 0.00 177.57 179.72 3k58 h GLY 437 N 0.79 1.27 0.98 2.17 0.00 -1.60 -0.84 103.07 105.84 3k58 h GLY 437 Ca 0.18 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 3k58 h GLY 437 CO -0.01 0.26 0.22 -2.00 0.00 0.00 0.00 176.54 175.02 3k58 h LEU 438 N 0.96 0.73 -0.34 3.11 5.85 -0.60 0.86 115.31 125.87 3k58 h LEU 438 Ca 0.39 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3k58 h LEU 438 Cb 0.27 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3k58 h LEU 438 CO -0.15 0.69 0.20 0.58 -0.34 0.00 0.00 178.44 179.43 3k58 h VAL 439 N 0.72 1.12 -0.14 1.05 2.07 -0.94 -0.94 116.25 119.19 3k58 h VAL 439 Ca 0.18 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 3k58 h VAL 439 Cb 0.19 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3k58 h VAL 439 CO -0.02 0.12 -0.44 -0.33 0.02 0.00 0.00 177.57 176.93 3k58 h GLU 440 N 0.44 0.34 -0.19 1.57 4.39 -1.02 -3.03 114.58 117.08 3k58 h GLU 440 Ca 0.12 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 3k58 h GLU 440 Cb 0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3k58 h GLU 440 CO -0.02 0.72 0.04 0.78 -1.16 0.00 0.00 179.01 179.37 3k58 h GLY 441 N 1.20 0.34 2.00 -3.84 0.00 0.14 -2.90 103.07 100.01 3k58 h GLY 441 Ca 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 3k58 h GLY 441 CO 0.07 0.21 -0.12 -0.33 0.00 0.00 0.00 176.54 176.36 3k58 h MET 442 N 0.12 0.00 0.00 4.80 2.86 -1.23 -1.43 114.93 120.04 3k58 h MET 442 Ca 0.06 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 3k58 h MET 442 Cb 0.30 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3k58 h MET 442 CO 0.00 0.12 -0.61 0.00 1.06 0.00 0.00 176.91 177.48 3k58 h ALA 443 N 1.88 0.89 -2.16 6.32 0.00 -1.39 -3.36 119.26 121.45 3k58 h ALA 443 Ca -0.00 -0.56 -0.57 0.00 0.00 0.00 0.00 54.91 53.78 3k58 h ALA 443 Cb 0.37 -0.10 -0.39 0.00 0.00 0.00 0.00 17.79 17.67 3k58 h ALA 443 CO 0.02 0.77 -0.99 1.04 0.00 0.00 0.00 179.25 180.08 3k58 n GLN 444 N -3.68 0.85 -1.40 0.00 6.02 -0.66 -5.03 117.38 113.48 3k58 n GLN 444 Ca -0.01 -3.44 -0.39 0.00 -0.01 0.00 0.00 57.00 53.16 3k58 n GLN 444 Cb 0.64 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.39 3k58 n GLN 444 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3k58 n PRO 445 N 1.71 3.31 -4.08 -1.09 -0.04 -0.63 -4.14 135.00 130.04 3k58 n PRO 445 Ca 0.24 -2.27 -0.11 0.00 -0.04 0.00 0.00 63.50 61.32 3k58 n PRO 445 Cb 0.50 -2.93 -0.11 0.00 -0.04 0.00 0.00 33.50 30.92 3k58 n PRO 445 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3k58 s ASP 446 N 2.62 0.83 0.57 3.54 1.47 -1.26 -5.02 116.67 119.41 3k58 s ASP 446 Ca 0.61 -0.69 0.28 0.00 1.18 0.00 0.00 52.55 53.92 3k58 s ASP 446 Cb 0.16 0.07 1.51 0.00 -0.34 0.00 0.00 42.92 44.32 3k58 s ASP 446 CO -0.06 -0.31 2.00 1.55 0.68 0.00 0.00 175.17 179.02 3k58 h PRO 447 N 4.02 0.00 0.05 2.11 0.13 -1.89 0.16 132.00 136.58 3k58 h PRO 447 Ca -0.35 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3k58 h PRO 447 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3k58 h PRO 447 CO 0.49 0.00 -0.02 1.49 -0.23 0.00 0.00 178.00 179.72 3k58 h GLU 448 N 0.00 -0.07 0.00 0.86 4.81 -1.96 -3.34 114.58 114.88 3k58 h GLU 448 Ca 0.18 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.28 3k58 h GLU 448 Cb 0.89 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 3k58 h GLU 448 CO -0.00 0.31 -1.37 0.72 -0.73 0.00 0.00 179.01 177.94 3k58 n HIS 449 N -4.94 0.96 -4.32 0.92 8.25 -1.00 -4.95 115.22 110.14 3k58 n HIS 449 Ca -0.08 0.31 -0.18 0.00 -0.26 0.00 0.00 57.72 57.51 3k58 n HIS 449 Cb 0.22 -1.06 -0.09 0.00 1.12 0.00 0.00 29.99 30.17 3k58 n HIS 449 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3k58 s SER 450 N -5.69 1.33 0.01 0.41 0.01 0.53 -1.08 113.70 109.23 3k58 s SER 450 Ca -0.03 -1.50 0.06 0.00 1.31 0.00 0.00 55.95 55.79 3k58 s SER 450 Cb 0.09 0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 3k58 s SER 450 CO 0.81 -0.85 -0.19 0.28 0.41 0.00 0.00 173.24 173.70 3k58 s THR 451 N -3.69 1.50 0.15 1.44 -1.32 0.67 -4.08 115.64 110.31 3k58 s THR 451 Ca 0.36 -0.93 -0.30 0.00 -1.21 0.00 0.00 61.69 59.61 3k58 s THR 451 Cb 0.06 -1.27 -0.07 0.00 -1.51 0.00 0.00 72.50 69.71 3k58 s THR 451 CO 0.16 0.32 1.07 -0.70 -2.21 0.00 0.00 174.62 173.26 3k58 s GLU 452 N -0.71 4.61 0.00 7.08 2.12 -1.26 -0.41 118.70 130.12 3k58 s GLU 452 Ca 0.07 1.65 0.00 0.00 0.36 0.00 0.00 54.97 57.05 3k58 s GLU 452 Cb -0.08 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 31.00 3k58 s GLU 452 CO 0.00 0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 3k58 n GLY 453 N 2.20 3.18 3.66 -1.50 0.00 0.78 -4.93 105.19 108.58 3k58 n GLY 453 Ca 0.03 -1.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 3k58 n GLY 453 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k58 s PHE 454 N 3.45 2.56 -1.46 1.61 0.08 -1.26 -4.58 117.98 118.37 3k58 s PHE 454 Ca 0.00 -0.51 -0.08 0.00 0.12 0.00 0.00 56.93 56.46 3k58 s PHE 454 Cb 0.00 -1.64 0.03 0.00 -0.57 0.00 0.00 43.02 40.84 3k58 s PHE 454 CO 0.00 0.40 0.80 1.28 -0.10 0.00 0.00 175.22 177.60 3k58 n LEU 455 N -1.03 -2.64 -1.06 -0.37 4.77 -1.26 -1.79 117.00 113.63 3k58 n LEU 455 Ca -0.04 -0.46 -0.14 0.00 -0.03 0.00 0.00 56.01 55.35 3k58 n LEU 455 Cb 0.63 -2.77 -0.06 0.00 -2.33 0.00 0.00 43.42 38.90 3k58 n LEU 455 CO 0.45 0.37 -0.13 0.47 -1.33 0.00 0.00 177.39 177.21 3k58 n ASP 456 N -2.66 -4.79 -4.78 -1.43 8.00 -1.26 -4.96 116.55 104.67 3k58 n ASP 456 Ca -0.04 0.34 -0.37 0.00 0.71 0.00 0.00 54.79 55.43 3k58 n ASP 456 Cb 0.57 -3.51 -0.06 0.00 -0.02 0.00 0.00 41.12 38.11 3k58 n ASP 456 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k58 s ALA 457 N -2.47 3.22 0.03 2.24 0.00 -0.74 -4.95 121.76 119.09 3k58 s ALA 457 Ca 0.00 0.56 0.05 0.00 0.00 0.00 0.00 51.96 52.57 3k58 s ALA 457 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 3k58 s ALA 457 CO 0.00 0.14 -0.15 -1.58 0.00 0.00 0.00 175.76 174.17 3k58 s TRP 458 N -1.55 1.36 -0.09 0.00 0.52 -1.26 -0.15 118.94 117.76 3k58 s TRP 458 Ca 0.49 -0.34 0.03 0.00 0.02 0.00 0.00 56.10 56.31 3k58 s TRP 458 Cb -0.20 -0.82 0.01 0.00 -1.15 0.00 0.00 33.47 31.31 3k58 s TRP 458 CO 0.26 0.04 -0.20 -0.06 0.02 0.00 0.00 176.95 177.00 3k58 s PHE 459 N -0.74 2.20 0.23 -1.98 0.08 0.45 -3.68 117.98 114.53 3k58 s PHE 459 Ca 0.04 -0.90 -0.32 0.00 0.12 0.00 0.00 56.93 55.87 3k58 s PHE 459 Cb -0.08 -1.50 -0.13 0.00 -0.57 0.00 0.00 43.02 40.74 3k58 s PHE 459 CO 0.01 -0.39 1.60 0.45 -0.10 0.00 0.00 175.22 176.79 3k58 n SER 460 N 3.66 3.52 0.07 1.36 2.88 -0.82 -0.24 113.62 124.05 3k58 n SER 460 Ca -0.20 1.11 -0.06 0.00 -1.33 0.00 0.00 58.87 58.38 3k58 n SER 460 Cb 0.52 -1.52 0.10 0.00 -0.75 0.00 0.00 64.21 62.57 3k58 n SER 460 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3k58 h ARG 461 N 5.54 0.30 0.00 -1.46 3.08 -1.42 -3.37 114.38 117.05 3k58 h ARG 461 Ca -0.45 -0.21 -0.28 0.00 0.07 0.00 0.00 59.98 59.12 3k58 h ARG 461 Cb 1.23 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.26 3k58 h ARG 461 CO 0.86 0.82 -2.23 0.39 -1.07 0.00 0.00 179.97 178.74 3k58 n GLU 462 N -3.88 0.84 -3.81 0.04 -0.58 -1.26 -4.88 120.64 107.11 3k58 n GLU 462 Ca -0.03 -0.04 -0.36 0.00 -0.42 0.00 0.00 57.16 56.31 3k58 n GLU 462 Cb 0.62 -1.49 -0.12 0.00 -0.57 0.00 0.00 31.44 29.88 3k58 n GLU 462 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3k58 s LYS 463 N -2.65 2.30 0.13 3.49 2.20 -1.26 -5.05 119.74 118.89 3k58 s LYS 463 Ca -0.09 -1.49 -0.24 0.00 -0.36 0.00 0.00 55.97 53.79 3k58 s LYS 463 Cb 0.07 -3.43 0.08 0.00 -1.51 0.00 0.00 37.83 33.03 3k58 s LYS 463 CO 0.79 -0.84 0.66 -3.38 -0.36 0.00 0.00 175.35 172.22 3k58 s HIS 464 N 1.24 -0.50 0.00 4.03 -3.43 -1.26 -3.68 115.29 111.68 3k58 s HIS 464 Ca 0.01 0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.59 3k58 s HIS 464 Cb -0.21 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.49 3k58 s HIS 464 CO -0.01 -0.79 0.00 0.00 -2.00 0.00 0.00 174.74 171.94 3k58 h LEU 466 N 0.00 0.64 -0.46 0.00 5.85 -1.97 -2.66 115.31 116.71 3k58 h LEU 466 Ca 0.00 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.62 3k58 h LEU 466 Cb 0.99 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 3k58 h LEU 466 CO 0.00 0.71 0.24 -0.65 -0.34 0.00 0.00 178.44 178.40 3k58 h PRO 467 N 0.65 0.47 -0.50 5.25 0.11 -1.83 0.54 132.00 136.68 3k58 h PRO 467 Ca 0.13 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 3k58 h PRO 467 Cb 0.38 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 3k58 h PRO 467 CO 0.01 0.31 0.26 0.93 -0.21 0.00 0.00 178.00 179.30 3k58 h GLU 468 N 0.48 0.71 -0.23 1.05 3.07 -1.85 0.44 114.58 118.26 3k58 h GLU 468 Ca 0.20 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 3k58 h GLU 468 Cb 0.09 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 3k58 h GLU 468 CO -0.13 0.58 0.10 0.82 -1.40 0.00 0.00 179.01 178.98 3k58 h ILE 469 N 0.67 1.15 -0.70 3.13 2.04 -1.10 -1.96 117.51 120.74 3k58 h ILE 469 Ca 0.17 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 3k58 h ILE 469 Cb 0.09 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3k58 h ILE 469 CO -0.02 0.15 0.37 0.58 0.00 0.00 0.00 178.15 179.23 3k58 h VAL 470 N 0.22 1.22 -0.85 1.67 2.07 -0.70 -2.48 116.25 117.40 3k58 h VAL 470 Ca 0.08 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3k58 h VAL 470 Cb 0.14 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 3k58 h VAL 470 CO -0.01 0.24 0.54 0.74 0.02 0.00 0.00 177.57 179.10 3k58 h THR 471 N 0.96 1.23 -0.26 2.57 2.02 -0.68 -0.29 112.91 118.45 3k58 h THR 471 Ca 0.24 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 3k58 h THR 471 Cb 0.05 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 3k58 h THR 471 CO -0.04 0.23 0.14 0.78 0.37 0.00 0.00 175.52 177.00 3k58 h ASN 472 N 1.16 0.33 -0.45 4.18 2.35 -1.10 -2.25 115.58 119.81 3k58 h ASN 472 Ca 0.31 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.90 3k58 h ASN 472 Cb -0.09 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 3k58 h ASN 472 CO -0.06 0.33 0.06 0.40 -1.65 0.00 0.00 177.43 176.51 3k58 h ILE 473 N 0.30 1.24 -0.40 2.81 2.04 -1.08 -2.48 117.51 119.94 3k58 h ILE 473 Ca 0.09 -0.92 0.04 0.00 1.00 0.00 0.00 64.86 65.07 3k58 h ILE 473 Cb 0.08 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 3k58 h ILE 473 CO -0.01 0.33 0.17 -0.25 0.00 0.00 0.00 178.15 178.39 3k58 h TRP 474 N 0.78 0.31 -0.28 1.37 2.91 -0.80 0.19 115.95 120.41 3k58 h TRP 474 Ca 0.16 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.18 3k58 h TRP 474 Cb 0.38 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.93 3k58 h TRP 474 CO 0.02 0.14 0.07 0.45 -1.03 0.00 0.00 178.44 178.10 3k58 h HIS 475 N 0.35 0.40 -0.45 2.65 3.86 -1.20 -0.36 115.15 120.41 3k58 h HIS 475 Ca 0.18 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.32 3k58 h HIS 475 Cb 0.12 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 3k58 h HIS 475 CO -0.12 0.36 0.10 0.78 0.86 0.00 0.00 177.93 179.90 3k58 h GLY 476 N 0.62 0.79 1.44 2.45 0.00 -0.35 -1.74 103.07 106.28 3k58 h GLY 476 Ca 0.10 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 3k58 h GLY 476 CO -0.00 0.47 0.08 -0.09 0.00 0.00 0.00 176.54 177.00 3k58 h ARG 477 N 0.61 0.70 -0.71 4.80 2.43 0.22 -1.58 114.38 120.84 3k58 h ARG 477 Ca 0.14 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3k58 h ARG 477 Cb 0.34 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3k58 h ARG 477 CO 0.00 0.66 0.34 -0.44 -1.51 0.00 0.00 179.97 179.03 3k58 h ASP 478 N 0.68 0.94 -0.14 -3.80 3.32 -0.64 -0.73 116.42 116.04 3k58 h ASP 478 Ca 0.15 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 3k58 h ASP 478 Cb 0.30 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3k58 h ASP 478 CO 0.00 0.81 -0.37 -0.08 -1.72 0.00 0.00 179.24 177.88 3k58 h GLU 479 N 1.00 0.66 -0.69 3.56 4.57 -0.98 -0.43 114.58 122.27 3k58 h GLU 479 Ca 0.25 -0.32 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 3k58 h GLU 479 Cb 0.12 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 3k58 h GLU 479 CO -0.03 0.92 0.27 0.00 -1.18 0.00 0.00 179.01 178.99 3k58 h ALA 480 N 1.04 0.90 -0.50 2.92 0.00 -0.85 -0.03 119.26 122.74 3k58 h ALA 480 Ca 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3k58 h ALA 480 Cb 0.88 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3k58 h ALA 480 CO 0.08 0.53 0.19 0.87 0.00 0.00 0.00 179.25 180.91 3k58 h LYS 481 N 0.99 0.75 -0.70 0.00 1.57 -0.97 -0.39 116.57 117.82 3k58 h LYS 481 Ca 0.23 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 3k58 h LYS 481 Cb 0.22 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3k58 h LYS 481 CO -0.02 0.68 0.46 -0.09 -0.57 0.00 0.00 179.45 179.91 3k58 h ARG 482 N 0.66 0.76 -0.06 3.15 2.43 -0.27 -1.01 114.38 120.04 3k58 h ARG 482 Ca 0.16 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3k58 h ARG 482 Cb 0.21 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3k58 h ARG 482 CO -0.01 0.50 0.00 1.04 -1.51 0.00 0.00 179.97 179.99 3k58 n GLN 483 N -4.47 1.56 -1.62 0.20 6.02 -0.10 -4.91 117.38 114.06 3k58 n GLN 483 Ca 0.10 -0.83 -0.10 0.00 -0.01 0.00 0.00 57.00 56.16 3k58 n GLN 483 Cb 0.18 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 3k58 n GLN 483 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k58 n GLY 484 N 1.11 0.68 3.41 1.08 0.00 -0.38 -4.96 105.19 106.13 3k58 n GLY 484 Ca 0.18 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 45.20 3k58 n GLY 484 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k58 s ASN 485 N -2.77 6.78 0.11 1.61 3.84 -0.20 -4.90 114.94 119.41 3k58 s ASN 485 Ca 0.00 -2.48 -0.17 0.00 0.21 0.00 0.00 52.86 50.42 3k58 s ASN 485 Cb 0.00 -2.33 -0.05 0.00 -0.55 0.00 0.00 41.25 38.32 3k58 s ASN 485 CO 0.00 -0.82 1.58 0.11 -2.79 0.00 0.00 177.10 175.18 3k58 h LYS 486 N 8.13 0.53 -0.60 0.43 1.57 -1.93 -2.32 116.57 122.39 3k58 h LYS 486 Ca 0.17 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3k58 h LYS 486 Cb 1.00 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.20 3k58 h LYS 486 CO 1.02 0.62 0.34 -1.35 -0.57 0.00 0.00 179.45 179.51 3k58 h PRO 487 N 0.36 0.63 -0.55 3.15 0.11 -1.90 -1.08 132.00 132.72 3k58 h PRO 487 Ca 0.10 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 3k58 h PRO 487 Cb 0.35 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 3k58 h PRO 487 CO 0.01 0.42 0.17 1.25 -0.21 0.00 0.00 178.00 179.63 3k58 h LEU 488 N 0.65 0.81 -0.71 2.35 5.85 -1.90 -0.78 115.31 121.59 3k58 h LEU 488 Ca 0.26 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3k58 h LEU 488 Cb 0.11 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3k58 h LEU 488 CO -0.15 0.81 0.45 -1.28 -0.34 0.00 0.00 178.44 177.93 3k58 h SER 489 N 0.77 0.84 -0.67 1.25 0.87 -1.01 -0.57 113.55 115.04 3k58 h SER 489 Ca 0.18 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 3k58 h SER 489 Cb 0.29 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 3k58 h SER 489 CO -0.00 0.63 0.23 -0.61 -0.53 0.00 0.00 176.83 176.54 3k58 h GLN 490 N 0.97 1.03 -0.71 2.24 5.75 -0.93 -1.00 115.11 122.47 3k58 h GLN 490 Ca 0.26 -0.21 -0.07 0.00 -0.15 0.00 0.00 58.65 58.48 3k58 h GLN 490 Cb -0.07 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.30 3k58 h GLN 490 CO -0.05 0.88 0.17 0.00 -2.65 0.00 0.00 178.83 177.18 3k58 h ALA 491 N 1.10 0.96 -0.11 3.38 0.00 -0.48 -1.22 119.26 122.90 3k58 h ALA 491 Ca 0.22 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3k58 h ALA 491 Cb 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3k58 h ALA 491 CO -0.01 0.67 -0.53 -0.07 0.00 0.00 0.00 179.25 179.30 3k58 h LEU 492 N 1.07 0.34 -0.35 0.00 3.38 -0.89 -0.46 115.31 118.40 3k58 h LEU 492 Ca 0.22 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3k58 h LEU 492 Cb 0.37 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3k58 h LEU 492 CO 0.00 0.81 0.12 0.50 0.09 0.00 0.00 178.44 179.96 3k58 h LYS 493 N 0.24 0.54 -0.47 1.13 3.64 -0.91 -1.89 116.57 118.84 3k58 h LYS 493 Ca 0.01 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.16 3k58 h LYS 493 Cb 1.02 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 3k58 h LYS 493 CO 0.09 0.55 -0.15 0.82 -2.27 0.00 0.00 179.45 178.49 3k58 h ILE 494 N 0.42 1.27 -0.66 2.00 1.08 -1.07 -1.28 117.51 119.27 3k58 h ILE 494 Ca 0.12 -1.29 0.02 0.00 -0.39 0.00 0.00 64.86 63.32 3k58 h ILE 494 Cb 0.23 1.12 -0.04 0.00 -3.07 0.00 0.00 36.82 35.06 3k58 h ILE 494 CO -0.01 0.44 0.42 0.40 -0.69 0.00 0.00 178.15 178.72 3k58 h ILE 495 N 0.77 1.11 -0.46 -0.67 2.04 -0.98 0.40 117.51 119.72 3k58 h ILE 495 Ca 0.11 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 3k58 h ILE 495 Cb 0.70 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3k58 h ILE 495 CO 0.05 0.15 0.16 0.24 0.00 0.00 0.00 178.15 178.76 3k58 h MET 496 N 0.84 0.70 -0.14 2.37 2.86 -1.21 -2.01 114.93 118.33 3k58 h MET 496 Ca 0.26 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 3k58 h MET 496 Cb -0.02 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 3k58 h MET 496 CO -0.09 0.66 -0.23 -0.91 1.06 0.00 0.00 176.91 177.40 3k58 h ASN 497 N 0.60 0.23 0.74 1.22 2.35 -0.65 -2.07 115.58 118.00 3k58 h ASN 497 Ca 0.15 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3k58 h ASN 497 Cb 0.24 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 3k58 h ASN 497 CO -0.01 0.47 -0.07 0.00 -1.65 0.00 0.00 177.43 176.18 3k58 h ALA 498 N 1.55 1.06 0.00 -0.83 0.00 0.31 -1.17 119.26 120.17 3k58 h ALA 498 Ca 0.04 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3k58 h ALA 498 Cb 0.53 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3k58 h ALA 498 CO 0.04 0.09 -0.56 0.74 0.00 0.00 0.00 179.25 179.56 3k58 h PHE 499 N 0.00 0.00 -0.04 0.00 0.04 -0.67 -0.73 116.94 115.54 3k58 h PHE 499 Ca -0.00 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.59 3k58 h PHE 499 Cb 0.46 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.62 3k58 h PHE 499 CO 0.00 0.56 -0.67 -0.92 -0.60 0.00 0.00 178.31 176.68 3k58 h TYR 500 N 0.00 0.75 -0.41 -0.55 3.20 -1.25 -3.37 116.97 115.34 3k58 h TYR 500 Ca -0.01 -0.38 0.02 0.00 3.14 0.00 0.00 58.73 61.50 3k58 h TYR 500 Cb 1.00 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 3k58 h TYR 500 CO 0.00 1.19 0.24 0.78 -1.64 0.00 0.00 178.16 178.73 3k58 h GLY 501 N 0.09 0.58 2.00 1.82 0.00 -0.92 -2.67 103.07 103.98 3k58 h GLY 501 Ca -0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 3k58 h GLY 501 CO 0.13 0.16 -0.01 -0.39 0.00 0.00 0.00 176.54 176.43 3k58 h VAL 502 N 0.49 0.59 0.00 4.60 -1.51 -1.30 -0.66 116.25 118.46 3k58 h VAL 502 Ca 0.16 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.59 3k58 h VAL 502 Cb 0.01 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 3k58 h VAL 502 CO -0.08 0.01 0.00 0.18 -1.23 0.00 0.00 177.57 176.45 3k58 n LEU 503 N -3.91 0.00 -0.75 4.19 4.77 -1.00 -2.42 117.00 117.87 3k58 n LEU 503 Ca -0.03 0.48 0.08 0.00 -0.03 0.00 0.00 56.01 56.51 3k58 n LEU 503 Cb 0.09 -0.48 0.14 0.00 -2.33 0.00 0.00 43.42 40.84 3k58 n LEU 503 CO 0.28 -0.17 0.59 0.61 -1.33 0.00 0.00 177.39 177.37 3k58 n GLY 504 N 0.41 1.42 3.28 -0.72 0.00 -0.26 -2.31 105.19 107.02 3k58 n GLY 504 Ca 0.05 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 3k58 n GLY 504 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3k58 s THR 505 N -1.13 2.01 -0.58 2.61 -1.32 -1.01 -4.97 115.64 111.23 3k58 s THR 505 Ca 0.25 -1.07 0.18 0.00 -1.21 0.00 0.00 61.69 59.85 3k58 s THR 505 Cb 0.15 -1.68 0.18 0.00 -1.51 0.00 0.00 72.50 69.64 3k58 s THR 505 CO 0.20 0.56 1.56 0.35 -2.21 0.00 0.00 174.62 175.09 3k58 n THR 506 N 2.66 1.05 0.84 5.08 -2.24 -1.26 -1.44 114.28 118.98 3k58 n THR 506 Ca -0.17 0.39 0.10 0.00 -2.27 0.00 0.00 64.05 62.10 3k58 n THR 506 Cb 0.52 -1.30 0.49 0.00 -2.10 0.00 0.00 70.33 67.93 3k58 n THR 506 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k58 n ALA 507 N -1.69 2.03 -2.82 6.98 0.00 -1.26 -4.56 120.51 119.19 3k58 n ALA 507 Ca 0.01 -0.08 -0.34 0.00 0.00 0.00 0.00 53.44 53.03 3k58 n ALA 507 Cb 0.14 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.14 3k58 n ALA 507 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k58 h ARG 509 N 6.13 0.00 -0.43 0.00 0.11 -1.85 -2.10 114.38 116.23 3k58 h ARG 509 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 3k58 h ARG 509 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3k58 h ARG 509 CO 0.62 0.07 0.00 1.19 0.10 0.00 0.00 179.97 181.95 3k58 n PHE 510 N -3.41 0.58 -1.65 4.08 3.72 -1.26 -4.61 117.46 114.90 3k58 n PHE 510 Ca -0.02 -0.28 -0.47 0.00 -0.05 0.00 0.00 57.45 56.64 3k58 n PHE 510 Cb 0.22 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.70 3k58 n PHE 510 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3k58 n PHE 511 N 0.69 2.08 -3.64 1.38 7.35 -0.79 -4.89 117.46 119.64 3k58 n PHE 511 Ca 0.14 0.39 -0.06 0.00 -0.76 0.00 0.00 57.45 57.17 3k58 n PHE 511 Cb 0.37 -2.47 -0.07 0.00 0.35 0.00 0.00 39.48 37.66 3k58 n PHE 511 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3k58 s ASP 512 N 0.60 -0.94 0.39 -2.13 -1.08 -0.98 -4.72 116.67 107.82 3k58 s ASP 512 Ca 0.76 1.47 0.07 0.00 -0.52 0.00 0.00 52.55 54.33 3k58 s ASP 512 Cb -0.72 1.50 0.83 0.00 -1.46 0.00 0.00 42.92 43.08 3k58 s ASP 512 CO 0.44 -0.23 2.01 -0.65 0.52 0.00 0.00 175.17 177.26 3k58 h PRO 513 N 7.07 0.60 -0.75 4.34 0.11 -1.85 -1.36 132.00 140.15 3k58 h PRO 513 Ca -0.28 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.80 3k58 h PRO 513 Cb 1.21 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3k58 h PRO 513 CO 0.15 0.40 0.50 0.00 -0.21 0.00 0.00 178.00 178.84 3k58 h ARG 514 N 0.62 0.99 0.08 1.05 3.08 -1.93 -0.27 114.38 118.00 3k58 h ARG 514 Ca 0.23 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 3k58 h ARG 514 Cb 0.14 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3k58 h ARG 514 CO -0.06 0.66 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.39 3k58 h LEU 515 N 1.02 -0.09 -0.44 3.04 3.38 -1.57 -2.32 115.31 118.33 3k58 h LEU 515 Ca 0.28 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 3k58 h LEU 515 Cb -0.12 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3k58 h LEU 515 CO -0.06 0.38 0.07 0.00 0.09 0.00 0.00 178.44 178.93 3k58 h ALA 516 N 0.27 0.58 0.00 1.53 0.00 -1.35 -3.00 119.26 117.28 3k58 h ALA 516 Ca -0.01 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3k58 h ALA 516 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3k58 h ALA 516 CO 0.02 0.30 -0.38 0.77 0.00 0.00 0.00 179.25 179.96 3k58 h SER 517 N 0.59 0.00 0.40 0.00 0.02 -1.16 -1.48 113.55 111.92 3k58 h SER 517 Ca 0.13 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 3k58 h SER 517 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 3k58 h SER 517 CO 0.01 0.38 -0.26 0.28 -1.14 0.00 0.00 176.83 176.09 3k58 h SER 518 N 0.00 0.00 0.00 3.07 0.02 -1.28 0.15 113.55 115.51 3k58 h SER 518 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3k58 h SER 518 Cb 0.67 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 3k58 h SER 518 CO 0.05 0.26 -0.14 0.40 -1.14 0.00 0.00 176.83 176.26 3k58 h ILE 519 N 0.00 0.30 -0.67 3.27 2.04 -1.38 -3.27 117.51 117.79 3k58 h ILE 519 Ca -0.00 -1.24 -0.03 0.00 1.00 0.00 0.00 64.86 64.58 3k58 h ILE 519 Cb 0.53 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3k58 h ILE 519 CO 0.03 0.10 0.30 0.71 0.00 0.00 0.00 178.15 179.30 3k58 h THR 520 N -1.00 1.23 0.00 -0.27 1.35 -1.26 -1.22 112.91 111.74 3k58 h THR 520 Ca -0.01 -0.68 -0.08 0.00 -0.55 0.00 0.00 66.41 65.09 3k58 h THR 520 Cb 0.28 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.13 3k58 h THR 520 CO -0.01 0.28 -0.36 0.24 -0.25 0.00 0.00 175.52 175.42 3k58 h MET 521 N 0.94 0.00 -0.37 4.72 2.86 -0.91 -1.45 114.93 120.72 3k58 h MET 521 Ca 0.23 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.78 3k58 h MET 521 Cb 0.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3k58 h MET 521 CO -0.03 0.36 -0.14 -0.09 1.06 0.00 0.00 176.91 178.07 3k58 h ARG 522 N 0.00 0.67 -0.71 1.72 9.65 -1.42 -2.41 114.38 121.89 3k58 h ARG 522 Ca -0.00 -0.22 -0.03 0.00 -1.10 0.00 0.00 59.98 58.63 3k58 h ARG 522 Cb 0.64 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.13 3k58 h ARG 522 CO 0.05 0.78 0.33 0.78 2.80 0.00 0.00 179.97 184.71 3k58 h GLY 523 N 0.97 1.08 0.97 2.80 0.00 -0.21 -0.59 103.07 108.10 3k58 h GLY 523 Ca 0.10 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3k58 h GLY 523 CO 0.04 0.50 0.21 0.45 0.00 0.00 0.00 176.54 177.74 3k58 h HIS 524 N 1.00 0.53 -0.25 5.60 3.86 -0.93 -0.52 115.15 124.45 3k58 h HIS 524 Ca 0.24 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 3k58 h HIS 524 Cb 0.11 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 3k58 h HIS 524 CO 0.01 0.41 0.15 0.37 0.86 0.00 0.00 177.93 179.73 3k58 h GLN 525 N 0.49 0.34 -0.72 2.45 4.15 -1.11 -2.07 115.11 118.64 3k58 h GLN 525 Ca 0.14 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.53 3k58 h GLN 525 Cb 0.06 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 3k58 h GLN 525 CO -0.02 0.28 0.47 0.82 -1.93 0.00 0.00 178.83 178.45 3k58 h ILE 526 N 0.30 1.19 -0.14 2.39 2.04 -0.81 -0.23 117.51 122.25 3k58 h ILE 526 Ca 0.09 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 3k58 h ILE 526 Cb 0.03 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 3k58 h ILE 526 CO -0.02 0.18 0.09 0.24 0.00 0.00 0.00 178.15 178.64 3k58 h MET 527 N 0.97 0.20 -0.61 2.37 2.86 -0.84 -0.37 114.93 119.50 3k58 h MET 527 Ca 0.26 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.81 3k58 h MET 527 Cb -0.10 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 3k58 h MET 527 CO -0.06 0.18 0.10 0.00 1.06 0.00 0.00 176.91 178.19 3k58 h ARG 528 N 0.16 1.01 -0.68 1.72 3.08 -1.21 -1.95 114.38 116.50 3k58 h ARG 528 Ca 0.05 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.76 3k58 h ARG 528 Cb 0.03 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3k58 h ARG 528 CO -0.01 0.95 0.15 0.37 -1.07 0.00 0.00 179.97 180.36 3k58 h GLN 529 N 0.91 1.10 -0.75 0.04 5.75 -0.86 -2.20 115.11 119.10 3k58 h GLN 529 Ca 0.18 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 3k58 h GLN 529 Cb 0.43 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.80 3k58 h GLN 529 CO 0.01 0.97 0.39 1.15 -2.65 0.00 0.00 178.83 178.71 3k58 h THR 530 N 1.04 1.23 -0.45 2.39 2.02 -0.77 -0.81 112.91 117.55 3k58 h THR 530 Ca 0.21 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 3k58 h THR 530 Cb 0.38 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3k58 h THR 530 CO 0.00 0.26 0.22 0.50 0.37 0.00 0.00 175.52 176.87 3k58 h LYS 531 N 1.04 0.65 -0.72 6.66 3.64 -1.07 -1.25 116.57 125.52 3k58 h LYS 531 Ca 0.26 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3k58 h LYS 531 Cb 0.06 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3k58 h LYS 531 CO -0.04 0.55 0.31 0.00 -2.27 0.00 0.00 179.45 178.00 3k58 h ALA 532 N 1.06 1.18 -0.40 5.00 0.00 -1.06 -0.55 119.26 124.50 3k58 h ALA 532 Ca 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3k58 h ALA 532 Cb 0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3k58 h ALA 532 CO -0.02 0.60 0.11 -0.07 0.00 0.00 0.00 179.25 179.87 3k58 h LEU 533 N 1.04 0.59 -0.59 0.00 3.38 -0.71 -0.82 115.31 118.20 3k58 h LEU 533 Ca 0.25 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3k58 h LEU 533 Cb 0.17 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3k58 h LEU 533 CO -0.02 0.65 -0.02 0.40 0.09 0.00 0.00 178.44 179.53 3k58 h ILE 534 N 0.50 1.27 -0.37 1.22 2.04 -0.93 -2.67 117.51 118.56 3k58 h ILE 534 Ca 0.13 -1.17 -0.08 0.00 1.00 0.00 0.00 64.86 64.74 3k58 h ILE 534 Cb 0.28 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3k58 h ILE 534 CO -0.00 0.42 -0.09 -0.33 0.00 0.00 0.00 178.15 178.15 3k58 h GLU 535 N 0.95 0.63 0.00 2.37 5.08 -0.96 -1.70 114.58 120.95 3k58 h GLU 535 Ca 0.16 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3k58 h GLU 535 Cb 0.58 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 3k58 h GLU 535 CO 0.03 0.71 -0.12 0.00 -1.00 0.00 0.00 179.01 178.64 3k58 h ALA 536 N 1.32 1.19 -0.25 3.43 0.00 -0.90 -1.24 119.26 122.81 3k58 h ALA 536 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k58 h ALA 536 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3k58 h ALA 536 CO 0.03 0.15 0.00 1.04 0.00 0.00 0.00 179.25 180.46 3k58 n GLN 537 N -3.51 1.62 -0.32 0.00 1.13 -0.65 -4.92 117.38 110.73 3k58 n GLN 537 Ca -0.01 -0.95 0.00 0.00 -1.94 0.00 0.00 57.00 54.09 3k58 n GLN 537 Cb 0.26 -1.24 0.00 0.00 0.11 0.00 0.00 30.24 29.37 3k58 n GLN 537 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k58 n GLY 538 N 0.95 0.76 3.53 1.08 0.00 -0.47 -5.09 105.19 105.95 3k58 n GLY 538 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3k58 n GLY 538 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k58 s TYR 539 N -2.28 2.65 0.22 1.61 2.02 -1.17 -5.04 117.35 115.35 3k58 s TYR 539 Ca 0.00 -0.20 -0.26 0.00 -0.37 0.00 0.00 57.07 56.24 3k58 s TYR 539 Cb 0.00 -1.42 -0.09 0.00 -0.40 0.00 0.00 41.96 40.05 3k58 s TYR 539 CO 0.00 0.38 0.85 -0.51 -1.57 0.00 0.00 175.55 174.69 3k58 s ASP 540 N -1.98 7.42 -0.25 2.29 1.01 -1.24 -3.66 116.67 120.26 3k58 s ASP 540 Ca 0.19 1.74 -0.05 0.00 0.71 0.00 0.00 52.55 55.14 3k58 s ASP 540 Cb -0.11 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.29 3k58 s ASP 540 CO 0.10 0.13 0.01 -0.69 0.21 0.00 0.00 175.17 174.93 3k58 s VAL 541 N -1.27 3.58 -0.77 -1.27 1.01 -1.26 -0.87 120.40 119.54 3k58 s VAL 541 Ca 0.40 -0.62 0.22 0.00 0.00 0.00 0.00 61.98 61.98 3k58 s VAL 541 Cb -0.23 -2.74 -0.20 0.00 0.00 0.00 0.00 36.38 33.22 3k58 s VAL 541 CO 0.27 0.26 0.92 2.30 0.00 0.00 0.00 175.10 178.85 3k58 n ILE 542 N 4.81 0.04 -3.61 2.22 -5.35 -0.21 -4.93 119.36 112.32 3k58 n ILE 542 Ca -0.16 -0.13 -0.05 0.00 -0.27 0.00 0.00 62.75 62.14 3k58 n ILE 542 Cb 0.49 0.60 -0.02 0.00 -1.74 0.00 0.00 39.64 38.97 3k58 n ILE 542 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 3k58 s TYR 543 N -3.12 -0.20 -0.20 4.28 5.04 -1.25 -1.06 117.35 120.84 3k58 s TYR 543 Ca 0.05 0.04 -0.28 0.00 -2.44 0.00 0.00 57.07 54.44 3k58 s TYR 543 Cb 0.15 0.56 0.12 0.00 0.35 0.00 0.00 41.96 43.15 3k58 s TYR 543 CO 0.84 -0.53 1.00 0.20 -1.34 0.00 0.00 175.55 175.73 3k58 s GLY 544 N -2.63 -0.23 -0.26 8.97 0.00 -1.26 -0.45 107.32 111.46 3k58 s GLY 544 Ca 0.09 2.26 -0.03 0.00 0.00 0.00 0.00 44.72 47.04 3k58 s GLY 544 CO -0.04 1.33 0.10 -0.35 0.00 0.00 0.00 173.10 174.14 3k58 s ASP 545 N -0.61 3.33 0.00 1.64 -1.08 -1.17 -0.69 116.67 118.10 3k58 s ASP 545 Ca -0.00 -1.17 0.00 0.00 -0.52 0.00 0.00 52.55 50.86 3k58 s ASP 545 Cb -0.02 -0.48 0.00 0.00 -1.46 0.00 0.00 42.92 40.96 3k58 s ASP 545 CO -0.01 -0.40 0.00 0.41 0.52 0.00 0.00 175.17 175.69 3k58 n THR 546 N 5.14 0.00 -1.67 1.71 -1.04 0.62 -3.13 114.28 115.91 3k58 n THR 546 Ca -0.06 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.97 3k58 n THR 546 Cb 0.44 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.97 3k58 n THR 546 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3k58 n ASP 547 N 1.88 0.36 -4.35 8.00 5.75 -1.26 -4.67 116.55 122.28 3k58 n ASP 547 Ca 0.00 -1.99 -0.24 0.00 -0.01 0.00 0.00 54.79 52.55 3k58 n ASP 547 Cb 0.00 -0.19 -0.12 0.00 -1.03 0.00 0.00 41.12 39.78 3k58 n ASP 547 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3k58 s SER 548 N -1.10 2.85 -0.05 -1.12 1.04 -1.18 -1.36 113.70 112.78 3k58 s SER 548 Ca 0.04 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 55.66 3k58 s SER 548 Cb 0.04 -0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.00 3k58 s SER 548 CO 0.00 0.03 -0.04 0.42 0.98 0.00 0.00 173.24 174.64 3k58 s THR 549 N -1.73 0.50 -0.32 2.02 -4.23 -0.03 -3.06 115.64 108.79 3k58 s THR 549 Ca 0.15 -0.08 -0.14 0.00 -1.18 0.00 0.00 61.69 60.44 3k58 s THR 549 Cb -0.07 -0.54 -0.02 0.00 1.34 0.00 0.00 72.50 73.20 3k58 s THR 549 CO 0.07 0.23 0.31 -0.36 -0.54 0.00 0.00 174.62 174.32 3k58 s PHE 550 N 1.07 3.22 -0.27 3.99 2.99 0.40 -1.51 117.98 127.88 3k58 s PHE 550 Ca -0.09 0.04 -0.07 0.00 0.00 0.00 0.00 56.93 56.82 3k58 s PHE 550 Cb -0.14 -2.57 -0.01 0.00 0.00 0.00 0.00 43.02 40.30 3k58 s PHE 550 CO -0.01 -0.34 0.07 0.08 -0.00 0.00 0.00 175.22 175.02 3k58 s VAL 551 N 1.93 4.13 -0.29 -0.44 1.01 0.48 -1.05 120.40 126.16 3k58 s VAL 551 Ca 0.10 -0.39 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 3k58 s VAL 551 Cb -0.16 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.21 3k58 s VAL 551 CO 0.11 0.24 0.83 0.86 0.00 0.00 0.00 175.10 177.14 3k58 s TRP 552 N 1.56 3.22 -0.60 5.22 -0.00 -0.05 -0.32 118.94 127.97 3k58 s TRP 552 Ca 0.05 0.93 -0.18 0.00 -0.00 0.00 0.00 56.10 56.90 3k58 s TRP 552 Cb -0.16 -3.23 0.12 0.00 -0.00 0.00 0.00 33.47 30.19 3k58 s TRP 552 CO 0.03 -0.55 0.67 -0.51 -0.00 0.00 0.00 176.95 176.59 3k58 s LEU 553 N 3.01 5.64 0.39 5.86 1.43 -0.78 -3.67 118.68 130.56 3k58 s LEU 553 Ca 0.34 -1.60 -0.27 0.00 -1.03 0.00 0.00 54.13 51.58 3k58 s LEU 553 Cb -0.14 -2.28 -0.10 0.00 0.03 0.00 0.00 46.19 43.71 3k58 s LEU 553 CO 0.12 -1.03 1.36 -0.54 0.23 0.00 0.00 176.35 176.49 3k58 s LYS 554 N 2.31 4.05 0.24 1.70 1.02 -1.26 -4.36 119.74 123.44 3k58 s LYS 554 Ca 0.10 2.31 0.00 0.00 0.02 0.00 0.00 55.97 58.40 3k58 s LYS 554 Cb -0.24 -2.87 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 3k58 s LYS 554 CO 0.04 -0.48 0.00 0.41 -0.92 0.00 0.00 175.35 174.40 3k58 n GLY 555 N 0.64 -1.77 3.67 -3.33 0.00 -1.26 -4.92 105.19 98.21 3k58 n GLY 555 Ca 0.02 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 3k58 n GLY 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k58 s ALA 556 N -1.80 3.52 -0.04 4.61 0.00 -1.26 -4.60 121.76 122.19 3k58 s ALA 556 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.78 3k58 s ALA 556 Cb 0.00 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 20.13 3k58 s ALA 556 CO 0.00 -0.53 -0.03 -1.01 0.00 0.00 0.00 175.76 174.19 3k58 s HIS 557 N 1.85 0.62 0.80 0.00 3.76 -1.26 -5.08 115.29 115.98 3k58 s HIS 557 Ca 0.31 -0.15 -0.12 0.00 -0.15 0.00 0.00 55.06 54.96 3k58 s HIS 557 Cb -0.16 -0.60 0.07 0.00 1.11 0.00 0.00 32.58 33.00 3k58 s HIS 557 CO 0.11 -0.18 1.11 -1.54 -0.85 0.00 0.00 174.74 173.40 3k58 s SER 558 N 1.00 4.52 0.22 1.40 1.04 -1.26 -4.79 113.70 115.83 3k58 s SER 558 Ca -0.10 1.15 -0.08 0.00 0.48 0.00 0.00 55.95 57.39 3k58 s SER 558 Cb -0.14 -1.84 0.24 0.00 0.10 0.00 0.00 66.02 64.38 3k58 s SER 558 CO -0.01 -1.93 1.85 -0.33 0.98 0.00 0.00 173.24 173.80 3k58 h GLU 559 N -1.07 0.91 -0.34 4.02 4.39 -1.99 0.02 114.58 120.52 3k58 h GLU 559 Ca -0.47 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.15 3k58 h GLU 559 Cb 1.28 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 3k58 h GLU 559 CO 0.62 0.60 0.12 1.49 -1.16 0.00 0.00 179.01 180.68 3k58 h GLU 560 N 0.93 0.52 -0.21 2.33 4.81 -1.99 -1.52 114.58 119.45 3k58 h GLU 560 Ca 0.32 -0.10 -0.14 0.00 -0.13 0.00 0.00 59.36 59.30 3k58 h GLU 560 Cb 0.05 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3k58 h GLU 560 CO -0.13 0.53 -0.47 1.49 -0.73 0.00 0.00 179.01 179.70 3k58 h GLU 561 N 0.40 0.55 -0.62 1.92 4.57 -1.84 -2.40 114.58 117.16 3k58 h GLU 561 Ca 0.11 -0.31 -0.04 0.00 -1.18 0.00 0.00 59.36 57.94 3k58 h GLU 561 Cb 0.21 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 3k58 h GLU 561 CO -0.01 0.91 0.21 0.00 -1.18 0.00 0.00 179.01 178.94 3k58 h ALA 562 N 1.04 0.81 -0.20 2.92 0.00 -0.89 -1.84 119.26 121.10 3k58 h ALA 562 Ca 0.02 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 3k58 h ALA 562 Cb 0.99 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3k58 h ALA 562 CO 0.09 0.46 -0.35 0.00 0.00 0.00 0.00 179.25 179.45 3k58 h ALA 563 N 1.08 1.01 -0.36 0.00 0.00 -1.21 -0.96 119.26 118.82 3k58 h ALA 563 Ca 0.20 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3k58 h ALA 563 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3k58 h ALA 563 CO -0.01 0.60 0.06 -0.22 0.00 0.00 0.00 179.25 179.68 3k58 h LYS 564 N 0.37 0.60 -0.43 0.00 3.64 -1.25 -0.02 116.57 119.48 3k58 h LYS 564 Ca 0.04 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 3k58 h LYS 564 Cb 0.80 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 3k58 h LYS 564 CO 0.06 0.67 0.10 0.82 -2.27 0.00 0.00 179.45 178.83 3k58 h ILE 565 N 0.44 1.24 -0.26 2.00 2.04 -1.14 -0.93 117.51 120.90 3k58 h ILE 565 Ca 0.11 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.14 3k58 h ILE 565 Cb 0.36 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3k58 h ILE 565 CO 0.01 0.29 0.17 1.23 0.00 0.00 0.00 178.15 179.85 3k58 h GLY 566 N 0.57 0.36 1.01 5.37 0.00 -0.98 -0.14 103.07 109.27 3k58 h GLY 566 Ca 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3k58 h GLY 566 CO 0.00 0.13 0.33 3.21 0.00 0.00 0.00 176.54 180.22 3k58 h ARG 567 N 0.35 1.03 -0.68 4.80 3.08 -0.89 -1.68 114.38 120.38 3k58 h ARG 567 Ca 0.10 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 3k58 h ARG 567 Cb -0.04 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 3k58 h ARG 567 CO -0.02 0.82 0.16 0.00 -1.07 0.00 0.00 179.97 179.85 3k58 h ALA 568 N 1.16 0.90 -0.44 0.04 0.00 -0.85 -2.55 119.26 117.53 3k58 h ALA 568 Ca 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3k58 h ALA 568 Cb 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3k58 h ALA 568 CO -0.03 0.63 0.20 -0.07 0.00 0.00 0.00 179.25 179.99 3k58 h LEU 569 N 1.03 0.58 -0.98 0.00 3.38 -0.60 -1.80 115.31 116.93 3k58 h LEU 569 Ca 0.21 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3k58 h LEU 569 Cb 0.38 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3k58 h LEU 569 CO 0.00 0.56 -0.29 -0.37 0.09 0.00 0.00 178.44 178.44 3k58 h VAL 570 N 0.57 1.27 -0.23 1.22 -1.51 -1.23 -1.68 116.25 114.66 3k58 h VAL 570 Ca 0.15 -1.30 -0.02 0.00 -1.23 0.00 0.00 66.70 64.30 3k58 h VAL 570 Cb 0.14 1.43 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 3k58 h VAL 570 CO -0.02 0.40 0.05 -0.61 -1.23 0.00 0.00 177.57 176.17 3k58 h GLN 571 N 0.35 0.37 -0.17 5.19 -0.00 -1.33 0.83 115.11 120.34 3k58 h GLN 571 Ca 0.05 -0.09 0.01 0.00 -0.00 0.00 0.00 58.65 58.61 3k58 h GLN 571 Cb 0.69 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.11 3k58 h GLN 571 CO 0.05 0.49 0.10 1.25 0.00 0.00 0.00 178.83 180.72 3k58 h HIS 572 N 0.19 0.18 -0.55 3.99 2.76 -1.15 -1.18 115.15 119.40 3k58 h HIS 572 Ca 0.07 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 3k58 h HIS 572 Cb 0.29 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 3k58 h HIS 572 CO 0.01 0.11 0.19 0.28 -1.30 0.00 0.00 177.93 177.23 3k58 h VAL 573 N 0.21 1.23 -0.48 5.26 2.07 -1.17 -1.82 116.25 121.54 3k58 h VAL 573 Ca 0.07 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 3k58 h VAL 573 Cb -0.00 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3k58 h VAL 573 CO -0.03 0.28 0.02 0.78 0.02 0.00 0.00 177.57 178.64 3k58 h ASN 574 N 0.76 0.75 -0.12 0.57 2.35 -0.59 -1.54 115.58 117.76 3k58 h ASN 574 Ca 0.18 -0.17 -0.13 0.00 -0.55 0.00 0.00 56.30 55.63 3k58 h ASN 574 Cb 0.25 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3k58 h ASN 574 CO -0.01 0.81 -0.35 0.00 -1.65 0.00 0.00 177.43 176.23 3k58 h ALA 575 N 1.28 0.87 -0.49 -0.83 0.00 -1.15 -1.98 119.26 116.95 3k58 h ALA 575 Ca 0.15 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3k58 h ALA 575 Cb 0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3k58 h ALA 575 CO 0.02 0.63 0.10 2.35 0.00 0.00 0.00 179.25 182.35 3k58 h TRP 576 N 0.53 0.84 -0.63 0.00 7.01 -0.68 -0.41 115.95 122.60 3k58 h TRP 576 Ca 0.06 -0.11 -0.04 0.00 2.11 0.00 0.00 58.89 60.91 3k58 h TRP 576 Cb 0.85 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.64 3k58 h TRP 576 CO 0.04 0.76 0.24 -1.49 -2.79 0.00 0.00 178.44 175.20 3k58 h TRP 577 N 0.67 0.97 -0.51 2.65 -0.00 -1.19 0.32 115.95 118.86 3k58 h TRP 577 Ca 0.15 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.89 58.95 3k58 h TRP 577 Cb 0.36 -0.29 -0.02 0.00 -0.00 0.00 0.00 29.16 29.21 3k58 h TRP 577 CO 0.02 0.77 0.27 0.00 -0.00 0.00 0.00 178.44 179.51 3k58 h ALA 578 N 1.10 0.66 0.03 1.49 0.00 -1.06 0.07 119.26 121.55 3k58 h ALA 578 Ca 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3k58 h ALA 578 Cb 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3k58 h ALA 578 CO -0.02 0.19 -0.02 1.49 0.00 0.00 0.00 179.25 180.90 3k58 h GLU 579 N 0.68 -0.04 -0.34 0.00 4.81 -0.81 -1.96 114.58 116.92 3k58 h GLU 579 Ca 0.18 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3k58 h GLU 579 Cb 0.06 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3k58 h GLU 579 CO -0.03 0.16 0.19 1.15 -0.73 0.00 0.00 179.01 179.75 3k58 h THR 580 N -0.24 1.13 0.00 0.32 2.02 -0.80 -2.94 112.91 112.40 3k58 h THR 580 Ca -0.00 -0.35 -0.10 0.00 0.77 0.00 0.00 66.41 66.72 3k58 h THR 580 Cb 0.22 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3k58 h THR 580 CO 0.01 0.14 -0.49 -0.07 0.37 0.00 0.00 175.52 175.47 3k58 h LEU 581 N 0.42 0.00 -1.29 2.58 3.38 -1.02 -2.99 115.31 116.40 3k58 h LEU 581 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3k58 h LEU 581 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3k58 h LEU 581 CO -0.02 0.49 -0.00 -0.61 0.09 0.00 0.00 178.44 178.39 3k58 h GLN 582 N 0.00 0.48 0.00 1.13 4.15 -1.18 -0.29 115.11 119.40 3k58 h GLN 582 Ca -0.00 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.32 3k58 h GLN 582 Cb 0.87 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.49 3k58 h GLN 582 CO 0.06 0.51 0.00 0.87 -1.93 0.00 0.00 178.83 178.34 3k58 h LYS 583 N 0.46 0.00 -0.62 1.69 1.57 -1.41 -0.81 116.57 117.45 3k58 h LYS 583 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3k58 h LYS 583 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3k58 h LYS 583 CO 0.01 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.93 3k58 n GLN 584 N -2.94 2.59 -3.43 3.15 6.02 -0.30 -4.92 117.38 117.56 3k58 n GLN 584 Ca 0.01 -2.26 -0.24 0.00 -0.01 0.00 0.00 57.00 54.49 3k58 n GLN 584 Cb 0.28 -1.54 0.05 0.00 1.02 0.00 0.00 30.24 30.05 3k58 n GLN 584 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3k58 n ARG 585 N 1.25 -6.26 -4.41 -1.09 5.12 -0.31 -5.00 116.66 105.95 3k58 n ARG 585 Ca 0.21 0.80 -0.22 0.00 -1.93 0.00 0.00 57.85 56.71 3k58 n ARG 585 Cb 0.57 -5.75 -0.10 0.00 -1.16 0.00 0.00 32.46 26.02 3k58 n ARG 585 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3k58 s LEU 586 N -7.04 2.56 -0.24 0.55 1.43 -0.28 -5.01 118.68 110.65 3k58 s LEU 586 Ca 0.49 -1.00 -0.04 0.00 -1.03 0.00 0.00 54.13 52.54 3k58 s LEU 586 Cb -0.22 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.06 3k58 s LEU 586 CO 0.60 -0.03 -0.02 -0.89 0.23 0.00 0.00 176.35 176.24 3k58 s THR 587 N -2.58 3.40 0.01 5.49 2.01 -1.26 -3.20 115.64 119.51 3k58 s THR 587 Ca 0.26 -0.64 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 3k58 s THR 587 Cb -0.04 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 3k58 s THR 587 CO 0.11 0.31 1.33 -0.55 -0.69 0.00 0.00 174.62 175.13 3k58 s SER 588 N 1.45 6.92 0.00 3.53 0.15 -1.26 -4.51 113.70 119.98 3k58 s SER 588 Ca 0.04 2.06 0.17 0.00 0.70 0.00 0.00 55.95 58.92 3k58 s SER 588 Cb -0.15 -2.57 0.24 0.00 -1.71 0.00 0.00 66.02 61.83 3k58 s SER 588 CO -0.02 -0.65 1.14 0.00 1.20 0.00 0.00 173.24 174.91 3k58 n ALA 589 N 4.96 2.41 -1.93 5.45 0.00 -1.26 -4.94 120.51 125.20 3k58 n ALA 589 Ca 0.12 -0.82 -0.42 0.00 0.00 0.00 0.00 53.44 52.33 3k58 n ALA 589 Cb 0.44 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 3k58 n ALA 589 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k58 s LEU 590 N -1.28 4.38 -0.33 0.00 1.43 -1.26 -4.88 118.68 116.74 3k58 s LEU 590 Ca 0.25 2.61 -0.01 0.00 -1.03 0.00 0.00 54.13 55.94 3k58 s LEU 590 Cb 0.15 -3.61 0.13 0.00 0.03 0.00 0.00 46.19 42.89 3k58 s LEU 590 CO 0.22 -0.72 0.19 -0.70 0.23 0.00 0.00 176.35 175.57 3k58 s GLU 591 N 0.15 0.45 0.22 1.70 2.12 -1.26 -4.92 118.70 117.15 3k58 s GLU 591 Ca 0.62 -1.09 -0.30 0.00 0.36 0.00 0.00 54.97 54.56 3k58 s GLU 591 Cb -0.41 -1.27 -0.09 0.00 0.26 0.00 0.00 34.13 32.62 3k58 s GLU 591 CO 0.39 -1.15 1.34 -1.17 -0.54 0.00 0.00 175.26 174.12 3k58 s LEU 592 N 1.37 4.41 0.07 2.70 2.96 -1.26 -0.83 118.68 128.10 3k58 s LEU 592 Ca 0.15 2.48 0.08 0.00 -0.22 0.00 0.00 54.13 56.63 3k58 s LEU 592 Cb -0.21 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 42.83 3k58 s LEU 592 CO -0.10 -0.57 -0.21 -1.61 -1.32 0.00 0.00 176.35 172.54 3k58 s GLU 593 N -0.28 1.86 -0.42 1.98 2.02 -0.15 -4.86 118.70 118.85 3k58 s GLU 593 Ca 0.57 -1.10 -0.23 0.00 0.02 0.00 0.00 54.97 54.23 3k58 s GLU 593 Cb -0.38 -2.09 0.02 0.00 0.10 0.00 0.00 34.13 31.78 3k58 s GLU 593 CO 0.40 0.51 0.76 -0.47 0.02 0.00 0.00 175.26 176.48 3k58 s TYR 594 N -0.96 3.04 -0.23 1.61 5.04 -1.26 -1.49 117.35 123.10 3k58 s TYR 594 Ca 0.15 0.25 -0.17 0.00 -2.44 0.00 0.00 57.07 54.85 3k58 s TYR 594 Cb -0.10 -3.53 -0.13 0.00 0.35 0.00 0.00 41.96 38.54 3k58 s TYR 594 CO 0.06 -0.89 -0.13 0.39 -1.34 0.00 0.00 175.55 173.64 3k58 n GLU 595 N 6.55 0.56 -3.78 4.97 1.02 -0.70 -4.99 120.64 124.28 3k58 n GLU 595 Ca 0.02 0.40 -0.13 0.00 -0.02 0.00 0.00 57.16 57.43 3k58 n GLU 595 Cb 0.48 -1.60 -0.09 0.00 -0.02 0.00 0.00 31.44 30.21 3k58 n GLU 595 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3k58 s THR 596 N -2.47 0.06 -0.25 2.62 2.01 -1.09 -4.98 115.64 111.53 3k58 s THR 596 Ca -0.32 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.21 3k58 s THR 596 Cb 0.10 -0.58 0.06 0.00 0.01 0.00 0.00 72.50 72.08 3k58 s THR 596 CO 0.50 -0.27 -0.11 -2.28 -0.69 0.00 0.00 174.62 171.77 3k58 s HIS 597 N -1.29 3.17 -0.34 4.92 2.46 -1.26 -0.99 115.29 121.95 3k58 s HIS 597 Ca -0.13 -2.23 -0.20 0.00 0.47 0.00 0.00 55.06 52.96 3k58 s HIS 597 Cb -0.05 -1.91 -0.00 0.00 -0.13 0.00 0.00 32.58 30.49 3k58 s HIS 597 CO 0.04 -0.87 0.62 -0.06 -2.47 0.00 0.00 174.74 172.00 3k58 s PHE 598 N 1.14 3.17 0.18 3.88 0.08 0.70 -4.58 117.98 122.55 3k58 s PHE 598 Ca -0.08 0.40 0.33 0.00 0.12 0.00 0.00 56.93 57.71 3k58 s PHE 598 Cb -0.19 -3.08 1.40 0.00 -0.57 0.00 0.00 43.02 40.58 3k58 s PHE 598 CO -0.06 -0.57 2.00 0.00 -0.10 0.00 0.00 175.22 176.49 3k58 s ARG 600 N -3.75 0.16 -0.13 0.00 1.81 -1.18 -3.27 118.95 112.58 3k58 s ARG 600 Ca 0.00 -0.10 -0.11 0.00 -1.72 0.00 0.00 55.73 53.80 3k58 s ARG 600 Cb 0.10 0.06 0.04 0.00 -0.45 0.00 0.00 34.95 34.70 3k58 s ARG 600 CO 0.55 -0.03 0.33 0.12 -0.68 0.00 0.00 175.30 175.59 3k58 s PHE 601 N -0.40 -0.38 -0.18 -0.53 5.36 -0.42 -0.38 117.98 121.03 3k58 s PHE 601 Ca -0.05 0.92 0.01 0.00 -0.96 0.00 0.00 56.93 56.85 3k58 s PHE 601 Cb -0.03 0.13 0.01 0.00 -0.34 0.00 0.00 43.02 42.80 3k58 s PHE 601 CO 0.00 -0.20 -0.18 -1.17 -1.46 0.00 0.00 175.22 172.21 3k58 s LEU 602 N 0.39 2.25 -0.31 6.12 2.96 0.30 0.18 118.68 130.57 3k58 s LEU 602 Ca -0.02 -0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 53.26 3k58 s LEU 602 Cb -0.04 -1.51 0.05 0.00 0.50 0.00 0.00 46.19 45.19 3k58 s LEU 602 CO -0.02 0.01 0.04 -0.32 -1.32 0.00 0.00 176.35 174.74 3k58 s MET 603 N 1.22 2.51 0.77 1.98 -2.45 0.46 -2.70 119.30 121.08 3k58 s MET 603 Ca 0.03 -1.23 -0.12 0.00 -1.25 0.00 0.00 55.69 53.13 3k58 s MET 603 Cb -0.14 -3.28 0.05 0.00 1.25 0.00 0.00 34.83 32.72 3k58 s MET 603 CO -0.10 -0.63 1.10 -1.25 1.05 0.00 0.00 175.02 175.20 3k58 s PRO 604 N 1.31 2.30 0.39 4.11 0.04 -1.26 -0.37 135.00 141.51 3k58 s PRO 604 Ca -0.04 0.53 0.07 0.00 0.04 0.00 0.00 61.00 61.60 3k58 s PRO 604 Cb -0.20 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3k58 s PRO 604 CO 0.00 -1.44 0.54 0.95 0.04 0.00 0.00 177.00 177.09 3k58 s THR 605 N -3.26 3.47 0.56 1.26 -4.23 -1.26 -1.03 115.64 111.15 3k58 s THR 605 Ca 0.60 -0.97 -0.20 0.00 -1.18 0.00 0.00 61.69 59.94 3k58 s THR 605 Cb -0.13 -3.19 -0.05 0.00 1.34 0.00 0.00 72.50 70.48 3k58 s THR 605 CO 0.53 -0.07 1.22 -0.63 -0.54 0.00 0.00 174.62 175.13 3k58 s ILE 606 N -2.29 2.65 0.14 2.99 -1.09 0.12 -4.52 121.20 119.19 3k58 s ILE 606 Ca 0.51 0.43 -0.31 0.00 -2.23 0.00 0.00 60.65 59.04 3k58 s ILE 606 Cb -0.10 -3.19 -0.09 0.00 -1.58 0.00 0.00 42.46 37.50 3k58 s ILE 606 CO 0.32 -0.06 1.49 -0.60 -1.23 0.00 0.00 174.94 174.87 3k58 s ARG 607 N -3.14 4.26 0.00 2.79 3.52 -1.26 -2.58 118.95 122.54 3k58 s ARG 607 Ca 0.74 2.24 0.00 0.00 -0.13 0.00 0.00 55.73 58.57 3k58 s ARG 607 Cb -0.31 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 29.88 3k58 s ARG 607 CO 0.35 -0.53 0.00 0.41 -0.81 0.00 0.00 175.30 174.72 3k58 n GLY 608 N 3.64 0.56 3.44 8.12 0.00 -1.26 -5.02 105.19 114.68 3k58 n GLY 608 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 3k58 n GLY 608 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k58 s ALA 609 N -2.13 0.31 -2.33 4.61 0.00 -1.06 -5.04 121.76 116.12 3k58 s ALA 609 Ca 0.00 -1.20 0.26 0.00 0.00 0.00 0.00 51.96 51.02 3k58 s ALA 609 Cb 0.00 1.19 0.61 0.00 0.00 0.00 0.00 23.12 24.92 3k58 s ALA 609 CO 0.00 -0.76 1.49 -0.25 0.00 0.00 0.00 175.76 176.24 3k58 n ASP 610 N -0.39 1.78 -4.76 0.00 8.00 -1.26 -4.25 116.55 115.68 3k58 n ASP 610 Ca -0.00 -1.45 -0.41 0.00 0.71 0.00 0.00 54.79 53.65 3k58 n ASP 610 Cb 0.63 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.82 3k58 n ASP 610 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3k58 s THR 611 N -2.21 3.13 0.42 -3.53 2.01 -1.26 -4.88 115.64 109.31 3k58 s THR 611 Ca 0.29 1.10 -0.25 0.00 0.31 0.00 0.00 61.69 63.14 3k58 s THR 611 Cb 0.20 -3.70 -0.08 0.00 0.01 0.00 0.00 72.50 68.93 3k58 s THR 611 CO 0.42 0.25 1.21 -0.83 -0.69 0.00 0.00 174.62 174.98 3k58 s GLY 612 N -0.54 2.87 0.62 4.40 0.00 -1.26 -0.71 107.32 112.70 3k58 s GLY 612 Ca 0.48 1.05 -0.07 0.00 0.00 0.00 0.00 44.72 46.19 3k58 s GLY 612 CO 0.46 1.58 0.94 -0.45 0.00 0.00 0.00 173.10 175.62 3k58 s SER 613 N -1.06 5.50 0.10 1.64 0.15 -0.20 -4.55 113.70 115.29 3k58 s SER 613 Ca 0.59 0.74 0.08 0.00 0.70 0.00 0.00 55.95 58.06 3k58 s SER 613 Cb -0.33 -1.68 -0.03 0.00 -1.71 0.00 0.00 66.02 62.27 3k58 s SER 613 CO 0.41 -1.15 -0.20 -0.54 1.20 0.00 0.00 173.24 172.96 3k58 s LYS 614 N -5.06 1.11 -1.55 5.44 1.02 -1.26 -4.46 119.74 114.97 3k58 s LYS 614 Ca 0.55 -1.14 0.00 0.00 0.02 0.00 0.00 55.97 55.40 3k58 s LYS 614 Cb -0.11 -1.35 0.00 0.00 -0.52 0.00 0.00 37.83 35.85 3k58 s LYS 614 CO 0.46 0.31 0.00 1.63 -0.92 0.00 0.00 175.35 176.83 3k58 n LYS 615 N 1.13 -1.51 -3.71 1.68 5.02 -1.26 -4.96 118.16 114.56 3k58 n LYS 615 Ca -0.20 1.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.88 3k58 n LYS 615 Cb 0.54 -5.37 -0.18 0.00 -0.02 0.00 0.00 35.03 30.00 3k58 n LYS 615 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3k58 s ARG 616 N -3.21 0.25 0.17 1.97 0.52 -1.26 -4.02 118.95 113.38 3k58 s ARG 616 Ca 0.00 0.19 -0.24 0.00 -0.52 0.00 0.00 55.73 55.16 3k58 s ARG 616 Cb 0.00 -0.89 0.06 0.00 0.52 0.00 0.00 34.95 34.64 3k58 s ARG 616 CO 0.00 -0.36 0.92 1.52 0.02 0.00 0.00 175.30 177.40 3k58 s TYR 617 N 2.07 -0.14 0.07 -0.53 -0.85 -0.56 -4.40 117.35 113.01 3k58 s TYR 617 Ca 0.04 -0.19 -0.10 0.00 -0.52 0.00 0.00 57.07 56.30 3k58 s TYR 617 Cb -0.13 0.65 0.01 0.00 0.38 0.00 0.00 41.96 42.87 3k58 s TYR 617 CO -0.05 -0.89 0.22 0.00 -1.52 0.00 0.00 175.55 173.31 3k58 s ALA 618 N -3.38 -0.39 0.21 9.51 0.00 -1.10 -0.50 121.76 126.11 3k58 s ALA 618 Ca 0.12 -0.37 -0.22 0.00 0.00 0.00 0.00 51.96 51.49 3k58 s ALA 618 Cb -0.02 0.41 0.05 0.00 0.00 0.00 0.00 23.12 23.55 3k58 s ALA 618 CO 0.03 -0.45 0.66 0.20 0.00 0.00 0.00 175.76 176.20 3k58 s GLY 619 N -2.48 -0.39 -0.12 0.00 0.00 -0.17 -0.53 107.32 103.63 3k58 s GLY 619 Ca -0.00 0.15 -0.00 0.00 0.00 0.00 0.00 44.72 44.86 3k58 s GLY 619 CO -0.08 0.05 -0.11 -2.27 0.00 0.00 0.00 173.10 170.70 3k58 s LEU 620 N -2.82 2.88 -0.11 0.66 2.96 0.48 -0.60 118.68 122.13 3k58 s LEU 620 Ca 0.05 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 3k58 s LEU 620 Cb -0.03 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 3k58 s LEU 620 CO -0.04 0.20 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.41 3k58 s ILE 621 N 0.14 2.93 -0.39 6.68 1.01 0.17 -0.52 121.20 131.23 3k58 s ILE 621 Ca -0.05 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 3k58 s ILE 621 Cb -0.15 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.13 3k58 s ILE 621 CO 0.04 0.54 0.40 -1.58 0.00 0.00 0.00 174.94 174.34 3k58 s GLN 622 N 0.20 3.29 -0.32 2.79 2.00 -1.26 -0.37 119.66 125.98 3k58 s GLN 622 Ca -0.09 -0.62 0.02 0.00 -2.00 0.00 0.00 55.36 52.67 3k58 s GLN 622 Cb -0.15 -3.90 0.08 0.00 0.80 0.00 0.00 33.01 29.84 3k58 s GLN 622 CO 0.05 -0.71 0.02 -1.83 -0.50 0.00 0.00 175.29 172.32 3k58 s GLU 623 N 2.07 1.90 6.41 1.67 -1.05 0.26 -5.00 118.70 124.96 3k58 s GLU 623 Ca 0.12 -1.64 0.00 0.00 -0.15 0.00 0.00 54.97 53.30 3k58 s GLU 623 Cb -0.17 -3.18 0.00 0.00 -0.44 0.00 0.00 34.13 30.34 3k58 s GLU 623 CO 0.13 -0.82 0.00 0.41 0.95 0.00 0.00 175.26 175.93 3k58 n GLY 624 N 4.40 2.92 0.00 -3.83 0.00 -1.26 -0.99 105.19 106.43 3k58 n GLY 624 Ca -0.04 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 45.79 3k58 n GLY 624 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k58 n ASP 625 N 2.47 0.00 -4.81 1.61 8.00 -1.26 -4.83 116.55 117.73 3k58 n ASP 625 Ca 0.00 -0.35 -0.32 0.00 0.71 0.00 0.00 54.79 54.84 3k58 n ASP 625 Cb 0.00 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 40.82 3k58 n ASP 625 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3k58 s LYS 626 N -2.43 3.08 0.08 -1.24 2.20 -0.16 -5.11 119.74 116.15 3k58 s LYS 626 Ca 0.33 -0.54 0.10 0.00 -0.36 0.00 0.00 55.97 55.49 3k58 s LYS 626 Cb 0.20 -2.85 -0.03 0.00 -1.51 0.00 0.00 37.83 33.63 3k58 s LYS 626 CO 0.43 0.61 -0.25 -0.65 -0.36 0.00 0.00 175.35 175.13 3k58 s GLN 627 N -2.12 1.70 -0.00 4.03 -0.21 -1.26 0.90 119.66 122.70 3k58 s GLN 627 Ca 0.27 -1.18 0.01 0.00 0.02 0.00 0.00 55.36 54.49 3k58 s GLN 627 Cb -0.12 -1.99 -0.00 0.00 1.00 0.00 0.00 33.01 31.90 3k58 s GLN 627 CO 0.19 0.49 -0.03 0.50 -2.12 0.00 0.00 175.29 174.32 3k58 s ARG 628 N -1.58 0.29 -0.09 2.91 3.52 0.50 -4.94 118.95 119.56 3k58 s ARG 628 Ca 0.13 -0.12 -0.06 0.00 -0.13 0.00 0.00 55.73 55.55 3k58 s ARG 628 Cb -0.10 -0.29 -0.04 0.00 -1.56 0.00 0.00 34.95 32.96 3k58 s ARG 628 CO 0.04 0.07 0.16 -1.64 -0.81 0.00 0.00 175.30 173.12 3k58 s MET 629 N -0.04 3.45 -0.12 5.12 -1.94 -1.26 0.44 119.30 124.94 3k58 s MET 629 Ca 0.01 -0.18 0.03 0.00 -1.71 0.00 0.00 55.69 53.84 3k58 s MET 629 Cb -0.02 -3.16 0.00 0.00 2.01 0.00 0.00 34.83 33.66 3k58 s MET 629 CO -0.00 0.75 -0.23 0.08 -0.01 0.00 0.00 175.02 175.61 3k58 s VAL 630 N -1.12 2.12 -0.09 -6.03 1.01 0.23 -4.98 120.40 111.54 3k58 s VAL 630 Ca 0.19 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.23 3k58 s VAL 630 Cb -0.12 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 3k58 s VAL 630 CO 0.08 0.55 -0.23 -0.36 0.00 0.00 0.00 175.10 175.14 3k58 s PHE 631 N 0.54 2.47 -0.16 5.22 0.08 -1.26 -1.00 117.98 123.87 3k58 s PHE 631 Ca -0.14 -0.97 0.01 0.00 0.12 0.00 0.00 56.93 55.95 3k58 s PHE 631 Cb -0.17 -1.65 0.02 0.00 -0.57 0.00 0.00 43.02 40.65 3k58 s PHE 631 CO 0.04 -0.38 -0.19 0.15 -0.10 0.00 0.00 175.22 174.75 3k58 s LYS 632 N 0.29 2.75 0.00 0.44 -0.14 0.34 -4.80 119.74 118.62 3k58 s LYS 632 Ca -0.17 -0.74 0.00 0.00 -1.36 0.00 0.00 55.97 53.70 3k58 s LYS 632 Cb -0.17 -2.36 0.00 0.00 -1.68 0.00 0.00 37.83 33.62 3k58 s LYS 632 CO 0.08 -0.16 0.00 0.41 -0.76 0.00 0.00 175.35 174.92 3k58 n GLY 633 N 4.49 2.14 3.63 -3.33 0.00 -1.26 -1.50 105.19 109.36 3k58 n GLY 633 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 3k58 n GLY 633 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k58 s LEU 634 N 0.00 1.46 0.37 0.99 1.43 -1.26 -4.78 118.68 116.89 3k58 s LEU 634 Ca 0.00 1.33 0.12 0.00 -1.03 0.00 0.00 54.13 54.56 3k58 s LEU 634 Cb 0.00 -3.47 0.92 0.00 0.03 0.00 0.00 46.19 43.67 3k58 s LEU 634 CO 0.00 -3.41 1.84 -0.33 0.23 0.00 0.00 176.35 174.69 3k58 h GLU 635 N -2.08 0.57 0.00 1.70 3.07 -1.93 0.58 114.58 116.49 3k58 h GLU 635 Ca -0.56 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.27 3k58 h GLU 635 Cb 1.32 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3k58 h GLU 635 CO 0.55 0.38 0.00 0.00 -1.40 0.00 0.00 179.01 178.53 3k58 h THR 636 N 0.58 0.00 -0.30 1.13 1.03 -1.88 -1.92 112.91 111.55 3k58 h THR 636 Ca 0.48 -0.26 -0.08 0.00 -0.01 0.00 0.00 66.41 66.55 3k58 h THR 636 Cb 0.95 1.06 -0.05 0.00 -1.07 0.00 0.00 68.15 69.05 3k58 h THR 636 CO -0.23 0.00 -0.01 1.33 -0.01 0.00 0.00 175.52 176.60 3k58 n VAL 637 N -2.61 2.39 -4.08 0.00 0.24 0.19 -4.93 118.33 109.54 3k58 n VAL 637 Ca 0.00 -2.20 -0.34 0.00 -2.04 0.00 0.00 64.34 59.76 3k58 n VAL 637 Cb 0.20 -0.28 -0.15 0.00 -1.47 0.00 0.00 33.84 32.14 3k58 n VAL 637 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3k58 s ARG 638 N -2.99 3.18 0.39 7.34 0.52 -0.72 -4.84 118.95 121.82 3k58 s ARG 638 Ca 0.43 -0.74 0.28 0.00 -0.52 0.00 0.00 55.73 55.18 3k58 s ARG 638 Cb 0.37 -2.76 1.36 0.00 0.52 0.00 0.00 34.95 34.44 3k58 s ARG 638 CO 0.05 -0.18 1.84 1.79 0.02 0.00 0.00 175.30 178.83 3k58 h THR 639 N 5.81 0.00 -0.47 0.02 1.35 -1.92 -2.49 112.91 115.22 3k58 h THR 639 Ca -0.43 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 3k58 h THR 639 Cb 1.15 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 3k58 h THR 639 CO 0.62 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.99 3k58 n ASP 640 N -2.51 3.00 -4.73 5.36 5.75 -1.26 -4.46 116.55 117.70 3k58 n ASP 640 Ca -0.00 -2.15 -0.25 0.00 -0.01 0.00 0.00 54.79 52.38 3k58 n ASP 640 Cb 0.14 -0.40 -0.06 0.00 -1.03 0.00 0.00 41.12 39.76 3k58 n ASP 640 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3k58 s TRP 641 N -1.54 2.97 0.58 2.11 0.52 -0.94 -4.73 118.94 117.91 3k58 s TRP 641 Ca 0.34 -0.10 -0.16 0.00 0.02 0.00 0.00 56.10 56.20 3k58 s TRP 641 Cb 0.20 -1.41 -0.05 0.00 -1.15 0.00 0.00 33.47 31.06 3k58 s TRP 641 CO 0.20 0.53 1.04 0.95 0.02 0.00 0.00 176.95 179.69 3k58 s THR 642 N -1.84 3.96 0.47 2.01 -4.23 -1.26 -4.80 115.64 109.94 3k58 s THR 642 Ca 0.30 0.93 0.13 0.00 -1.18 0.00 0.00 61.69 61.87 3k58 s THR 642 Cb -0.09 -3.45 0.25 0.00 1.34 0.00 0.00 72.50 70.54 3k58 s THR 642 CO 0.21 -0.54 2.08 -0.65 -0.54 0.00 0.00 174.62 175.18 3k58 h PRO 643 N 0.55 0.18 -0.20 3.99 0.11 -1.75 -1.57 132.00 133.31 3k58 h PRO 643 Ca -0.47 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.66 3k58 h PRO 643 Cb 1.21 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 3k58 h PRO 643 CO 0.58 0.16 -0.01 1.25 -0.21 0.00 0.00 178.00 179.78 3k58 h LEU 644 N 0.18 -0.10 -0.42 2.35 5.85 -1.64 -0.33 115.31 121.20 3k58 h LEU 644 Ca 0.05 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 3k58 h LEU 644 Cb 0.06 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3k58 h LEU 644 CO -0.00 -0.02 -0.08 0.00 -0.34 0.00 0.00 178.44 178.00 3k58 h ALA 645 N 1.18 0.57 -0.27 1.25 0.00 -1.65 -2.58 119.26 117.75 3k58 h ALA 645 Ca 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3k58 h ALA 645 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3k58 h ALA 645 CO -0.17 0.42 0.12 1.96 0.00 0.00 0.00 179.25 181.58 3k58 h GLN 646 N 0.61 0.40 -0.57 0.00 4.20 -1.03 -1.12 115.11 117.60 3k58 h GLN 646 Ca 0.11 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 3k58 h GLN 646 Cb 0.60 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3k58 h GLN 646 CO 0.04 0.41 0.04 0.37 -0.67 0.00 0.00 178.83 179.02 3k58 h GLN 647 N 0.29 0.98 -0.39 1.46 4.15 -1.12 -2.40 115.11 118.08 3k58 h GLN 647 Ca 0.09 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.22 3k58 h GLN 647 Cb 0.16 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 3k58 h GLN 647 CO -0.01 0.96 0.25 0.35 -1.93 0.00 0.00 178.83 178.45 3k58 h PHE 648 N 0.87 0.51 -0.31 3.99 3.57 -1.31 -0.64 116.94 123.61 3k58 h PHE 648 Ca 0.17 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3k58 h PHE 648 Cb 0.49 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3k58 h PHE 648 CO 0.04 0.34 0.14 0.37 -2.23 0.00 0.00 178.31 176.97 3k58 h GLN 649 N 0.52 0.45 -0.27 1.11 4.15 -1.11 0.27 115.11 120.23 3k58 h GLN 649 Ca 0.14 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 3k58 h GLN 649 Cb -0.03 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3k58 h GLN 649 CO -0.03 0.43 0.10 1.96 -1.93 0.00 0.00 178.83 179.37 3k58 h GLN 650 N 0.36 0.40 -0.57 1.69 4.20 -1.23 -0.49 115.11 119.47 3k58 h GLN 650 Ca 0.10 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 3k58 h GLN 650 Cb 0.14 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3k58 h GLN 650 CO -0.01 0.44 -0.06 0.93 -0.67 0.00 0.00 178.83 179.46 3k58 h GLU 651 N 0.28 1.04 -0.10 1.46 5.08 -1.04 -1.23 114.58 120.08 3k58 h GLU 651 Ca 0.09 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3k58 h GLU 651 Cb 0.19 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3k58 h GLU 651 CO -0.01 1.05 -0.02 1.25 -1.00 0.00 0.00 179.01 180.28 3k58 h LEU 652 N 0.93 0.19 -0.67 1.33 5.85 -0.90 -2.45 115.31 119.59 3k58 h LEU 652 Ca 0.15 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 3k58 h LEU 652 Cb 0.62 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3k58 h LEU 652 CO 0.04 0.51 0.30 1.88 -0.34 0.00 0.00 178.44 180.83 3k58 h TYR 653 N -0.14 0.99 -0.51 1.25 0.99 -1.10 -0.94 116.97 117.50 3k58 h TYR 653 Ca 0.02 -0.06 0.01 0.00 2.00 0.00 0.00 58.73 60.70 3k58 h TYR 653 Cb 0.43 -0.30 -0.03 0.00 1.00 0.00 0.00 36.73 37.83 3k58 h TYR 653 CO 0.05 0.75 0.33 1.25 -0.00 0.00 0.00 178.16 180.55 3k58 h LEU 654 N 0.94 0.57 0.12 3.88 5.85 -1.22 0.45 115.31 125.90 3k58 h LEU 654 Ca 0.23 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3k58 h LEU 654 Cb 0.15 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3k58 h LEU 654 CO -0.02 0.41 -0.06 0.03 -0.34 0.00 0.00 178.44 178.46 3k58 h ARG 655 N 0.67 -0.15 -0.76 1.25 3.08 -1.09 -0.32 114.38 117.06 3k58 h ARG 655 Ca 0.19 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 3k58 h ARG 655 Cb -0.06 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3k58 h ARG 655 CO -0.05 -0.06 0.31 0.82 -1.07 0.00 0.00 179.97 179.91 3k58 h ILE 656 N -0.20 1.25 -0.32 2.04 2.04 -0.90 0.10 117.51 121.53 3k58 h ILE 656 Ca -0.02 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 3k58 h ILE 656 Cb 0.16 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 3k58 h ILE 656 CO 0.03 0.32 0.12 -0.26 0.00 0.00 0.00 178.15 178.36 3k58 h PHE 657 N 1.11 0.44 -0.27 1.37 0.04 0.18 -1.31 116.94 118.50 3k58 h PHE 657 Ca 0.26 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.01 3k58 h PHE 657 Cb 0.21 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.22 3k58 h PHE 657 CO 0.02 0.36 0.00 0.54 -0.60 0.00 0.00 178.31 178.62 3k58 n ARG 658 N -4.40 1.87 -1.61 1.51 1.74 -0.15 -4.90 116.66 110.70 3k58 n ARG 658 Ca 0.02 -1.32 -0.17 0.00 -0.77 0.00 0.00 57.85 55.60 3k58 n ARG 658 Cb 0.14 -1.38 -0.06 0.00 -1.02 0.00 0.00 32.46 30.14 3k58 n ARG 658 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3k58 n ASN 659 N 0.55 -5.07 -4.91 0.55 3.02 -0.49 -4.99 115.26 103.92 3k58 n ASN 659 Ca 0.15 0.37 -0.28 0.00 -0.03 0.00 0.00 54.58 54.79 3k58 n ASN 659 Cb 0.36 -4.10 0.03 0.00 -0.61 0.00 0.00 39.78 35.46 3k58 n ASN 659 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3k58 s GLU 660 N -3.65 2.95 0.51 3.52 2.02 0.26 -4.99 118.70 119.32 3k58 s GLU 660 Ca 0.00 0.17 -0.22 0.00 0.02 0.00 0.00 54.97 54.94 3k58 s GLU 660 Cb 0.00 -2.20 -0.06 0.00 0.10 0.00 0.00 34.13 31.97 3k58 s GLU 660 CO 0.00 -0.77 1.20 -2.14 0.02 0.00 0.00 175.26 173.57 3k58 s PRO 661 N -5.09 3.46 0.00 0.39 0.02 -1.26 -4.49 135.00 128.02 3k58 s PRO 661 Ca 0.55 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.42 3k58 s PRO 661 Cb -0.11 -2.25 0.00 0.00 0.02 0.00 0.00 34.50 32.16 3k58 s PRO 661 CO 0.47 -0.81 0.00 2.48 -0.33 0.00 0.00 177.00 178.81 3k58 n TYR 662 N -0.87 0.00 -0.01 6.54 0.18 -1.26 -4.88 117.16 116.87 3k58 n TYR 662 Ca 0.09 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.77 3k58 n TYR 662 Cb 0.48 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.39 3k58 n TYR 662 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 3k58 h GLN 663 N 0.00 0.14 -0.43 -3.48 4.20 -2.00 -0.81 115.11 112.73 3k58 h GLN 663 Ca 0.00 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 3k58 h GLN 663 Cb 0.00 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3k58 h GLN 663 CO 0.00 0.09 0.06 1.49 -0.67 0.00 0.00 178.83 179.80 3k58 h GLU 664 N 0.14 0.65 -0.64 1.46 4.57 -1.99 -0.98 114.58 117.80 3k58 h GLU 664 Ca 0.04 -0.13 -0.05 0.00 -1.18 0.00 0.00 59.36 58.04 3k58 h GLU 664 Cb -0.01 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 3k58 h GLU 664 CO -0.02 0.63 0.21 -0.92 -1.18 0.00 0.00 179.01 177.72 3k58 h TYR 665 N 0.63 1.02 -0.19 0.92 3.20 -1.72 0.18 116.97 121.01 3k58 h TYR 665 Ca 0.14 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 3k58 h TYR 665 Cb 0.30 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3k58 h TYR 665 CO 0.01 0.83 0.02 0.28 -1.64 0.00 0.00 178.16 177.67 3k58 h VAL 666 N 0.92 1.23 -0.40 1.81 2.07 -0.70 -1.60 116.25 119.58 3k58 h VAL 666 Ca 0.21 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3k58 h VAL 666 Cb 0.28 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3k58 h VAL 666 CO -0.01 0.24 0.26 0.03 0.02 0.00 0.00 177.57 178.11 3k58 h ARG 667 N 0.11 0.54 -0.56 1.57 3.08 -0.91 -1.66 114.38 116.55 3k58 h ARG 667 Ca 0.06 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3k58 h ARG 667 Cb 0.34 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3k58 h ARG 667 CO 0.01 0.37 0.18 1.49 -1.07 0.00 0.00 179.97 180.95 3k58 h GLU 668 N 0.54 0.83 -0.17 0.04 4.57 -0.62 -0.81 114.58 118.96 3k58 h GLU 668 Ca 0.15 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3k58 h GLU 668 Cb -0.03 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 3k58 h GLU 668 CO -0.03 0.71 0.06 1.15 -1.18 0.00 0.00 179.01 179.72 3k58 h THR 669 N 0.81 1.17 -0.44 0.32 2.02 -0.86 -0.80 112.91 115.14 3k58 h THR 669 Ca 0.19 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 3k58 h THR 669 Cb 0.22 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 3k58 h THR 669 CO -0.01 0.17 0.23 0.40 0.37 0.00 0.00 175.52 176.67 3k58 h ILE 670 N 0.11 1.17 -0.40 3.11 2.04 -1.09 -1.57 117.51 120.88 3k58 h ILE 670 Ca 0.06 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 3k58 h ILE 670 Cb 0.20 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3k58 h ILE 670 CO -0.00 0.18 0.24 -0.78 0.00 0.00 0.00 178.15 177.79 3k58 h ASP 671 N 0.57 0.48 -0.65 1.72 3.58 -1.04 -0.68 116.42 120.39 3k58 h ASP 671 Ca 0.15 -0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.48 3k58 h ASP 671 Cb 0.08 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 3k58 h ASP 671 CO -0.02 0.39 0.16 0.11 -2.88 0.00 0.00 179.24 177.00 3k58 h LYS 672 N 0.53 1.06 0.06 0.28 1.57 -0.98 -0.78 116.57 118.32 3k58 h LYS 672 Ca 0.14 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3k58 h LYS 672 Cb -0.00 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3k58 h LYS 672 CO -0.03 0.94 -0.03 1.25 -0.57 0.00 0.00 179.45 181.02 3k58 h LEU 673 N 1.01 -0.07 -2.01 2.94 5.85 -0.98 -0.54 115.31 121.52 3k58 h LEU 673 Ca 0.21 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3k58 h LEU 673 Cb 0.36 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3k58 h LEU 673 CO 0.00 0.05 0.00 0.24 -0.34 0.00 0.00 178.44 178.40 3k58 h MET 674 N -0.18 0.00 -0.53 1.25 2.86 -0.99 -1.38 114.93 115.96 3k58 h MET 674 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3k58 h MET 674 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 3k58 h MET 674 CO 0.01 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.98 3k58 n ALA 675 N -2.08 2.56 -2.86 6.32 0.00 -0.31 -4.91 120.51 119.23 3k58 n ALA 675 Ca -0.01 -0.93 -0.20 0.00 0.00 0.00 0.00 53.44 52.31 3k58 n ALA 675 Cb 0.22 -0.98 0.03 0.00 0.00 0.00 0.00 19.45 18.72 3k58 n ALA 675 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k58 n GLY 676 N 1.17 -0.38 0.03 0.00 0.00 -0.52 -4.90 105.19 100.59 3k58 n GLY 676 Ca 0.17 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.29 3k58 n GLY 676 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k58 n GLU 677 N -3.55 0.36 -0.66 1.61 1.02 -0.25 -4.47 120.64 114.71 3k58 n GLU 677 Ca -0.12 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 3k58 n GLU 677 Cb 0.62 -1.46 0.21 0.00 -0.02 0.00 0.00 31.44 30.78 3k58 n GLU 677 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3k58 n LEU 678 N -1.38 3.77 -0.04 -4.62 4.77 -1.24 -4.80 117.00 113.47 3k58 n LEU 678 Ca 0.04 -3.60 0.13 0.00 -0.03 0.00 0.00 56.01 52.56 3k58 n LEU 678 Cb 0.33 -0.59 0.55 0.00 -2.33 0.00 0.00 43.42 41.37 3k58 n LEU 678 CO 0.40 1.12 1.18 0.44 -1.33 0.00 0.00 177.39 179.20 3k58 h ASP 679 N 1.06 0.26 0.47 -1.43 5.19 -1.92 -0.84 116.42 119.21 3k58 h ASP 679 Ca 0.14 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 3k58 h ASP 679 Cb 1.49 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.95 3k58 h ASP 679 CO 0.28 0.16 0.00 0.00 -3.12 0.00 0.00 179.24 176.56 3k58 n ALA 680 N -2.54 1.47 0.77 3.45 0.00 -1.26 -2.49 120.51 119.90 3k58 n ALA 680 Ca 0.09 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.72 3k58 n ALA 680 Cb 0.39 -1.31 0.21 0.00 0.00 0.00 0.00 19.45 18.75 3k58 n ALA 680 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k58 n ARG 681 N -2.03 2.30 -0.40 0.00 1.74 -0.32 -4.56 116.66 113.38 3k58 n ARG 681 Ca 0.01 -1.93 0.11 0.00 -0.77 0.00 0.00 57.85 55.27 3k58 n ARG 681 Cb 0.16 -1.48 0.32 0.00 -1.02 0.00 0.00 32.46 30.43 3k58 n ARG 681 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3k58 n LEU 682 N 1.22 3.91 -4.71 0.55 4.77 -1.04 -1.54 117.00 120.16 3k58 n LEU 682 Ca 0.17 -1.96 -0.42 0.00 -0.03 0.00 0.00 56.01 53.77 3k58 n LEU 682 Cb 0.56 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3k58 n LEU 682 CO 0.15 0.90 0.64 -0.69 -1.33 0.00 0.00 177.39 177.06 3k58 s VAL 683 N -1.22 4.89 0.11 4.08 1.01 -1.26 -4.67 120.40 123.35 3k58 s VAL 683 Ca 0.47 1.95 -0.12 0.00 0.00 0.00 0.00 61.98 64.28 3k58 s VAL 683 Cb 0.26 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 3k58 s VAL 683 CO 0.30 0.16 0.48 -0.31 0.00 0.00 0.00 175.10 175.73 3k58 s TYR 684 N 1.06 3.60 -0.07 5.22 2.02 0.38 -4.43 117.35 125.13 3k58 s TYR 684 Ca 0.49 0.93 0.00 0.00 -0.37 0.00 0.00 57.07 58.13 3k58 s TYR 684 Cb -0.20 -2.27 0.02 0.00 -0.40 0.00 0.00 41.96 39.11 3k58 s TYR 684 CO 0.25 0.47 -0.05 0.50 -1.57 0.00 0.00 175.55 175.16 3k58 s ARG 685 N -1.93 1.04 -0.02 -0.62 3.52 -1.26 -1.51 118.95 118.18 3k58 s ARG 685 Ca 0.35 -0.12 -0.09 0.00 -0.13 0.00 0.00 55.73 55.75 3k58 s ARG 685 Cb -0.14 -1.12 0.01 0.00 -1.56 0.00 0.00 34.95 32.13 3k58 s ARG 685 CO 0.19 -0.17 0.19 0.21 -0.81 0.00 0.00 175.30 174.90 3k58 s LYS 686 N 1.37 0.47 0.27 5.12 2.20 -0.87 -4.13 119.74 124.16 3k58 s LYS 686 Ca -0.03 -0.20 -0.27 0.00 -0.36 0.00 0.00 55.97 55.11 3k58 s LYS 686 Cb -0.14 0.20 -0.09 0.00 -1.51 0.00 0.00 37.83 36.30 3k58 s LYS 686 CO -0.03 -0.11 0.91 1.03 -0.36 0.00 0.00 175.35 176.79 3k58 s ARG 687 N -1.03 4.67 -0.51 4.03 0.52 -1.26 -0.85 118.95 124.52 3k58 s ARG 687 Ca -0.11 1.34 -0.17 0.00 -0.52 0.00 0.00 55.73 56.27 3k58 s ARG 687 Cb -0.06 -3.03 0.07 0.00 0.52 0.00 0.00 34.95 32.46 3k58 s ARG 687 CO 0.02 0.41 0.53 -0.51 0.02 0.00 0.00 175.30 175.77 3k58 s LEU 688 N -1.63 5.38 0.00 2.53 1.43 0.31 -4.90 118.68 121.80 3k58 s LEU 688 Ca 0.45 -1.21 0.28 0.00 -1.03 0.00 0.00 54.13 52.62 3k58 s LEU 688 Cb -0.22 -2.31 1.07 0.00 0.03 0.00 0.00 46.19 44.76 3k58 s LEU 688 CO 0.27 -0.82 1.77 0.54 0.23 0.00 0.00 176.35 178.34 3k58 n ARG 689 N 5.73 0.53 -4.23 1.70 1.74 -1.26 -2.63 116.66 118.24 3k58 n ARG 689 Ca -0.10 -0.20 -0.18 0.00 -0.77 0.00 0.00 57.85 56.60 3k58 n ARG 689 Cb 0.44 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.27 3k58 n ARG 689 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3k58 s ARG 690 N -2.61 0.99 0.55 5.56 0.52 -1.26 -4.98 118.95 117.72 3k58 s ARG 690 Ca 0.24 -1.21 -0.20 0.00 -0.52 0.00 0.00 55.73 54.04 3k58 s ARG 690 Cb 0.19 -0.87 -0.05 0.00 0.52 0.00 0.00 34.95 34.74 3k58 s ARG 690 CO 0.52 0.17 1.22 -2.14 0.02 0.00 0.00 175.30 175.08 3k58 s PRO 691 N -2.59 3.24 0.44 3.54 0.02 -1.26 -4.02 135.00 134.36 3k58 s PRO 691 Ca 0.08 1.87 0.16 0.00 0.02 0.00 0.00 61.00 63.12 3k58 s PRO 691 Cb -0.05 -2.12 1.07 0.00 0.02 0.00 0.00 34.50 33.42 3k58 s PRO 691 CO 0.03 -1.00 1.95 1.25 -0.33 0.00 0.00 177.00 178.90 3k58 h LEU 692 N 1.32 0.35 -0.19 -5.54 5.85 -1.23 -0.22 115.31 115.65 3k58 h LEU 692 Ca -0.50 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3k58 h LEU 692 Cb 1.28 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3k58 h LEU 692 CO 0.57 0.19 0.00 -1.54 -0.34 0.00 0.00 178.44 177.32 3k58 n SER 693 N -4.47 0.41 -0.07 1.25 3.41 -1.26 -3.33 113.62 109.57 3k58 n SER 693 Ca 0.12 0.57 0.15 0.00 -0.26 0.00 0.00 58.87 59.44 3k58 n SER 693 Cb 0.47 -0.67 0.73 0.00 -0.26 0.00 0.00 64.21 64.48 3k58 n SER 693 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k58 n GLU 694 N -1.92 0.71 -2.79 4.33 1.02 -0.09 -4.59 120.64 117.31 3k58 n GLU 694 Ca 0.05 -0.14 -0.43 0.00 -0.02 0.00 0.00 57.16 56.62 3k58 n GLU 694 Cb 0.30 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.19 3k58 n GLU 694 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3k58 s TYR 695 N -2.38 2.59 -0.04 -0.32 2.02 -1.21 -4.77 117.35 113.25 3k58 s TYR 695 Ca 0.33 -0.41 0.07 0.00 -0.37 0.00 0.00 57.07 56.70 3k58 s TYR 695 Cb 0.21 -4.35 -0.11 0.00 -0.40 0.00 0.00 41.96 37.30 3k58 s TYR 695 CO 0.44 -1.73 0.11 1.04 -1.57 0.00 0.00 175.55 173.85 3k58 n GLN 696 N 8.06 1.30 0.11 -0.62 6.02 -1.26 -4.73 117.38 126.25 3k58 n GLN 696 Ca -0.02 -0.04 -0.04 0.00 -0.01 0.00 0.00 57.00 56.89 3k58 n GLN 696 Cb 0.46 -1.19 0.11 0.00 1.02 0.00 0.00 30.24 30.65 3k58 n GLN 696 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k58 h ARG 697 N 0.00 0.11 -2.31 -1.09 3.08 -1.99 -3.48 114.38 108.70 3k58 h ARG 697 Ca -0.08 -0.09 0.20 0.00 0.07 0.00 0.00 59.98 60.08 3k58 h ARG 697 Cb 0.81 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.81 3k58 h ARG 697 CO 0.00 0.74 0.60 0.54 -1.07 0.00 0.00 179.97 180.78 3k58 s ASN 698 N -6.87 -0.07 -0.26 7.04 2.20 -1.26 -5.13 114.94 110.60 3k58 s ASN 698 Ca -0.02 -0.49 0.02 0.00 -0.94 0.00 0.00 52.86 51.42 3k58 s ASN 698 Cb 0.12 0.44 0.07 0.00 -2.00 0.00 0.00 41.25 39.87 3k58 s ASN 698 CO 0.79 -0.84 -0.05 -0.69 -2.94 0.00 0.00 177.10 173.37 3k58 s VAL 699 N -2.58 1.78 0.71 3.54 1.01 -1.26 -4.92 120.40 118.68 3k58 s VAL 699 Ca 0.18 -1.49 -0.13 0.00 0.00 0.00 0.00 61.98 60.54 3k58 s VAL 699 Cb -0.01 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.35 3k58 s VAL 699 CO 0.03 -0.16 1.10 -2.84 0.00 0.00 0.00 175.10 173.23 3k58 s PRO 700 N 1.26 2.52 0.26 2.72 0.02 -1.26 -4.80 135.00 135.71 3k58 s PRO 700 Ca -0.04 1.30 -0.04 0.00 0.02 0.00 0.00 61.00 62.25 3k58 s PRO 700 Cb -0.19 -1.92 0.38 0.00 0.02 0.00 0.00 34.50 32.78 3k58 s PRO 700 CO -0.07 -1.45 1.87 -1.00 -0.33 0.00 0.00 177.00 176.02 3k58 h PRO 701 N -0.51 1.08 -0.34 5.54 0.13 -1.99 -1.64 132.00 134.27 3k58 h PRO 701 Ca -0.45 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 64.54 3k58 h PRO 701 Cb 1.24 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 3k58 h PRO 701 CO 0.53 0.72 -0.10 1.12 -0.23 0.00 0.00 178.00 180.03 3k58 h HIS 702 N 1.11 0.61 -0.61 1.56 2.07 -1.98 -1.14 115.15 116.77 3k58 h HIS 702 Ca 0.41 -0.09 -0.08 0.00 -2.85 0.00 0.00 60.37 57.75 3k58 h HIS 702 Cb 0.16 -0.16 -0.02 0.00 2.57 0.00 0.00 27.41 29.95 3k58 h HIS 702 CO -0.01 0.66 0.05 0.28 -3.07 0.00 0.00 177.93 175.84 3k58 h VAL 703 N 0.53 1.26 -0.26 6.12 2.07 -1.76 0.58 116.25 124.79 3k58 h VAL 703 Ca 0.10 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 3k58 h VAL 703 Cb 0.49 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3k58 h VAL 703 CO 0.03 0.39 0.10 -0.09 0.02 0.00 0.00 177.57 178.02 3k58 h ARG 704 N 0.96 0.39 -0.57 1.57 2.43 -0.81 0.43 114.38 118.77 3k58 h ARG 704 Ca 0.18 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3k58 h ARG 704 Cb 0.48 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3k58 h ARG 704 CO 0.02 0.44 0.22 0.00 -1.51 0.00 0.00 179.97 179.13 3k58 h ALA 705 N 0.94 1.31 -0.47 2.80 0.00 -0.97 0.63 119.26 123.50 3k58 h ALA 705 Ca 0.09 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3k58 h ALA 705 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3k58 h ALA 705 CO -0.01 0.51 -0.05 0.00 0.00 0.00 0.00 179.25 179.71 3k58 h ALA 706 N 1.42 0.65 -0.59 0.00 0.00 -0.46 -0.72 119.26 119.55 3k58 h ALA 706 Ca 0.19 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3k58 h ALA 706 Cb 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3k58 h ALA 706 CO -0.02 0.49 0.11 0.00 0.00 0.00 0.00 179.25 179.83 3k58 h ARG 707 N 0.72 0.97 -0.71 0.00 3.08 -0.27 -0.63 114.38 117.55 3k58 h ARG 707 Ca 0.13 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3k58 h ARG 707 Cb 0.58 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3k58 h ARG 707 CO 0.03 0.91 0.31 -0.07 -1.07 0.00 0.00 179.97 180.09 3k58 h LEU 708 N 0.87 0.95 -0.32 3.04 3.38 -0.78 -1.69 115.31 120.76 3k58 h LEU 708 Ca 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3k58 h LEU 708 Cb 0.40 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3k58 h LEU 708 CO 0.01 0.83 0.13 0.00 0.09 0.00 0.00 178.44 179.50 3k58 h ALA 709 N 1.15 0.42 -0.02 1.53 0.00 -0.62 -1.13 119.26 120.58 3k58 h ALA 709 Ca 0.24 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3k58 h ALA 709 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3k58 h ALA 709 CO -0.03 0.02 -0.50 -0.44 0.00 0.00 0.00 179.25 178.31 3k58 h ASP 710 N 0.37 0.06 -0.52 0.00 3.32 -0.98 0.10 116.42 118.78 3k58 h ASP 710 Ca 0.11 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 3k58 h ASP 710 Cb 0.18 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3k58 h ASP 710 CO -0.01 0.55 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.68 3k58 h GLU 711 N 0.05 0.98 -0.47 3.56 5.08 -1.16 -0.51 114.58 122.11 3k58 h GLU 711 Ca -0.00 -0.32 -0.12 0.00 -1.00 0.00 0.00 59.36 57.92 3k58 h GLU 711 Cb 0.89 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3k58 h GLU 711 CO 0.07 0.99 -0.17 1.49 -1.00 0.00 0.00 179.01 180.39 3k58 h GLU 712 N 0.89 0.91 -0.94 2.33 4.57 -0.74 -1.99 114.58 119.61 3k58 h GLU 712 Ca 0.15 -0.35 0.01 0.00 -1.18 0.00 0.00 59.36 57.98 3k58 h GLU 712 Cb 0.59 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.09 3k58 h GLU 712 CO 0.04 1.01 0.61 -0.91 -1.18 0.00 0.00 179.01 178.57 3k58 h ASN 713 N 0.80 1.09 -0.79 1.04 -0.26 -0.20 -2.06 115.58 115.20 3k58 h ASN 713 Ca 0.12 -0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 55.77 3k58 h ASN 713 Cb 0.71 -0.27 -0.04 0.00 -1.06 0.00 0.00 38.32 37.66 3k58 h ASN 713 CO 0.05 0.80 0.32 -0.61 -1.06 0.00 0.00 177.43 176.94 3k58 h GLN 714 N 1.28 1.18 0.00 0.81 4.15 -0.82 0.27 115.11 121.98 3k58 h GLN 714 Ca 0.34 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3k58 h GLN 714 Cb -0.12 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.38 3k58 h GLN 714 CO -0.07 0.95 0.00 0.87 -1.93 0.00 0.00 178.83 178.65 3k58 h LYS 715 N 1.15 0.00 -0.43 1.69 1.57 -0.68 -2.67 116.57 117.21 3k58 h LYS 715 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3k58 h LYS 715 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3k58 h LYS 715 CO -0.02 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.40 3k58 n ARG 716 N -2.90 2.55 -1.75 3.15 1.74 -0.98 -4.95 116.66 113.51 3k58 n ARG 716 Ca 0.01 -2.17 -0.14 0.00 -0.77 0.00 0.00 57.85 54.78 3k58 n ARG 716 Cb 0.31 -1.39 -0.04 0.00 -1.02 0.00 0.00 32.46 30.32 3k58 n ARG 716 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k58 n GLY 717 N 1.00 0.76 3.92 -0.13 0.00 -0.94 -5.00 105.19 104.79 3k58 n GLY 717 Ca 0.16 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3k58 n GLY 717 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k58 s ARG 718 N -3.78 3.43 0.33 1.61 0.52 0.91 -5.01 118.95 116.96 3k58 s ARG 718 Ca 0.00 -0.47 -0.29 0.00 -0.52 0.00 0.00 55.73 54.45 3k58 s ARG 718 Cb 0.00 -3.03 -0.11 0.00 0.52 0.00 0.00 34.95 32.33 3k58 s ARG 718 CO 0.00 0.60 1.51 -1.25 0.02 0.00 0.00 175.30 176.18 3k58 s PRO 719 N -2.61 4.15 0.57 3.54 0.04 -1.26 -4.09 135.00 135.34 3k58 s PRO 719 Ca 0.35 2.52 -0.21 0.00 0.04 0.00 0.00 61.00 63.70 3k58 s PRO 719 Cb -0.13 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 3k58 s PRO 719 CO 0.28 -0.53 1.35 -0.51 0.04 0.00 0.00 177.00 177.62 3k58 s LEU 720 N -1.26 3.80 -0.01 -3.56 1.02 -1.26 -4.93 118.68 112.47 3k58 s LEU 720 Ca 0.57 2.75 0.02 0.00 0.02 0.00 0.00 54.13 57.49 3k58 s LEU 720 Cb -0.46 -4.34 -0.03 0.00 0.02 0.00 0.00 46.19 41.38 3k58 s LEU 720 CO 0.54 -1.66 0.03 0.00 0.02 0.00 0.00 176.35 175.28 3k58 n GLN 721 N -1.20 2.03 -0.26 1.70 6.02 -1.26 -4.81 117.38 119.58 3k58 n GLN 721 Ca 0.11 -0.01 0.08 0.00 -0.01 0.00 0.00 57.00 57.17 3k58 n GLN 721 Cb 0.46 -1.06 0.19 0.00 1.02 0.00 0.00 30.24 30.84 3k58 n GLN 721 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3k58 n TYR 722 N -1.86 0.53 -0.23 1.08 4.01 -1.26 -4.72 117.16 114.71 3k58 n TYR 722 Ca -0.02 -0.83 -0.09 0.00 -0.16 0.00 0.00 57.90 56.80 3k58 n TYR 722 Cb 0.35 -0.21 0.03 0.00 -0.31 0.00 0.00 39.34 39.20 3k58 n TYR 722 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3k58 h GLN 723 N 1.16 1.09 -2.11 -0.72 1.08 -1.96 -3.37 115.11 110.28 3k58 h GLN 723 Ca 0.00 -0.32 -0.57 0.00 -1.45 0.00 0.00 58.65 56.31 3k58 h GLN 723 Cb 1.14 -0.11 -0.41 0.00 -0.05 0.00 0.00 27.48 28.05 3k58 h GLN 723 CO 0.11 1.03 -0.85 -1.71 -0.95 0.00 0.00 178.83 176.46 3k58 n ASN 724 N -4.20 2.21 -0.17 1.46 5.15 -1.26 -0.99 115.26 117.45 3k58 n ASN 724 Ca 0.04 -3.14 0.02 0.00 -0.60 0.00 0.00 54.58 50.89 3k58 n ASN 724 Cb 0.32 -0.64 -0.01 0.00 -0.53 0.00 0.00 39.78 38.92 3k58 n ASN 724 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3k58 n ARG 725 N 0.89 -0.39 0.00 1.20 1.74 -1.26 -4.91 116.66 113.93 3k58 n ARG 725 Ca 0.26 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 3k58 n ARG 725 Cb 0.48 -0.46 0.00 0.00 -1.02 0.00 0.00 32.46 31.45 3k58 n ARG 725 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k58 n GLY 726 N -2.44 0.92 3.33 -0.13 0.00 -1.08 -4.83 105.19 100.97 3k58 n GLY 726 Ca -0.01 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 3k58 n GLY 726 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k58 s THR 727 N -1.71 2.39 -0.08 2.61 2.01 -1.26 0.11 115.64 119.72 3k58 s THR 727 Ca 0.00 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.08 3k58 s THR 727 Cb 0.00 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 3k58 s THR 727 CO 0.00 0.57 -0.17 -0.51 -0.69 0.00 0.00 174.62 173.82 3k58 s ILE 728 N -0.26 2.74 -0.19 1.82 1.10 -0.03 -4.95 121.20 121.42 3k58 s ILE 728 Ca -0.00 -0.81 -0.10 0.00 -0.51 0.00 0.00 60.65 59.24 3k58 s ILE 728 Cb -0.13 -2.08 -0.05 0.00 0.15 0.00 0.00 42.46 40.35 3k58 s ILE 728 CO 0.03 0.56 0.12 -0.54 -2.11 0.00 0.00 174.94 173.00 3k58 s LYS 729 N -0.12 4.11 0.15 3.50 1.02 -1.26 -2.06 119.74 125.09 3k58 s LYS 729 Ca -0.03 -0.22 -0.10 0.00 0.02 0.00 0.00 55.97 55.64 3k58 s LYS 729 Cb -0.14 -3.38 -0.00 0.00 -0.52 0.00 0.00 37.83 33.78 3k58 s LYS 729 CO 0.04 0.34 0.28 1.52 -0.92 0.00 0.00 175.35 176.61 3k58 s TYR 730 N 0.25 0.29 0.17 3.18 -0.85 -0.57 -1.43 117.35 118.40 3k58 s TYR 730 Ca 0.08 -0.67 0.05 0.00 -0.52 0.00 0.00 57.07 56.01 3k58 s TYR 730 Cb -0.11 -0.02 -0.05 0.00 0.38 0.00 0.00 41.96 42.16 3k58 s TYR 730 CO -0.01 -0.70 -0.10 0.14 -1.52 0.00 0.00 175.55 173.36 3k58 s VAL 731 N -3.93 1.30 -0.35 -3.49 -7.23 -0.28 -0.47 120.40 105.94 3k58 s VAL 731 Ca 0.14 -2.10 -0.14 0.00 -1.81 0.00 0.00 61.98 58.07 3k58 s VAL 731 Cb 0.03 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 35.03 3k58 s VAL 731 CO -0.03 -0.68 0.31 0.86 -0.31 0.00 0.00 175.10 175.25 3k58 s TRP 732 N -3.25 3.22 0.56 2.82 -0.11 -1.26 -1.16 118.94 119.76 3k58 s TRP 732 Ca 0.19 -0.16 0.09 0.00 1.22 0.00 0.00 56.10 57.44 3k58 s TRP 732 Cb 0.02 -2.59 0.08 0.00 -1.50 0.00 0.00 33.47 29.48 3k58 s TRP 732 CO 0.03 -0.42 0.78 0.95 -4.62 0.00 0.00 176.95 173.66 3k58 s THR 733 N 1.87 2.24 -0.43 5.86 -4.23 -0.33 -0.85 115.64 119.78 3k58 s THR 733 Ca 0.09 -0.98 0.23 0.00 -1.18 0.00 0.00 61.69 59.84 3k58 s THR 733 Cb -0.17 -2.26 0.24 0.00 1.34 0.00 0.00 72.50 71.64 3k58 s THR 733 CO 0.11 0.00 1.69 0.35 -0.54 0.00 0.00 174.62 176.23 3k58 n THR 734 N -2.23 0.89 -1.31 3.99 -2.24 -0.13 -1.59 114.28 111.66 3k58 n THR 734 Ca 0.15 0.35 -0.03 0.00 -2.27 0.00 0.00 64.05 62.24 3k58 n THR 734 Cb 0.61 -1.30 0.21 0.00 -2.10 0.00 0.00 70.33 67.76 3k58 n THR 734 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3k58 n ASN 735 N -2.23 3.01 0.00 3.42 3.02 -1.26 -5.06 115.26 116.16 3k58 n ASN 735 Ca 0.01 -3.57 0.00 0.00 -0.03 0.00 0.00 54.58 51.00 3k58 n ASN 735 Cb 0.18 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 3k58 n ASN 735 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k58 n GLY 736 N -0.96 -2.85 3.74 7.41 0.00 -0.62 -4.92 105.19 107.00 3k58 n GLY 736 Ca 0.34 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 3k58 n GLY 736 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k58 s PRO 737 N -0.60 4.20 0.02 1.61 0.04 -1.26 -1.19 135.00 137.82 3k58 s PRO 737 Ca 0.00 2.42 0.03 0.00 0.04 0.00 0.00 61.00 63.49 3k58 s PRO 737 Cb 0.00 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.45 3k58 s PRO 737 CO 0.00 -0.53 -0.08 -1.21 0.04 0.00 0.00 177.00 175.22 3k58 s GLU 738 N -0.25 0.59 0.37 4.56 2.02 -0.31 -4.47 118.70 121.21 3k58 s GLU 738 Ca 0.62 -0.50 -0.28 0.00 0.02 0.00 0.00 54.97 54.84 3k58 s GLU 738 Cb -0.45 -0.50 -0.10 0.00 0.10 0.00 0.00 34.13 33.18 3k58 s GLU 738 CO 0.44 0.12 1.38 -1.25 0.02 0.00 0.00 175.26 175.97 3k58 s PRO 739 N -0.81 4.13 0.25 0.39 0.04 -1.26 -1.13 135.00 136.61 3k58 s PRO 739 Ca -0.02 2.35 -0.05 0.00 0.04 0.00 0.00 61.00 63.33 3k58 s PRO 739 Cb -0.06 -2.94 0.32 0.00 0.04 0.00 0.00 34.50 31.86 3k58 s PRO 739 CO 0.00 -0.43 1.90 1.25 0.04 0.00 0.00 177.00 179.76 3k58 h LEU 740 N 3.01 1.06 -1.42 -3.56 5.85 -1.55 -2.11 115.31 116.59 3k58 h LEU 740 Ca -0.50 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 3k58 h LEU 740 Cb 1.24 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3k58 h LEU 740 CO 0.64 0.73 0.22 0.44 -0.34 0.00 0.00 178.44 180.13 3k58 h ASP 741 N 1.24 0.54 -1.75 1.25 3.32 -1.90 -3.21 116.42 115.91 3k58 h ASP 741 Ca 0.39 -0.04 -0.52 0.00 0.02 0.00 0.00 57.03 56.88 3k58 h ASP 741 Cb -0.00 -0.14 -0.41 0.00 0.22 0.00 0.00 39.33 39.00 3k58 h ASP 741 CO -0.12 0.46 -0.90 -1.22 -1.72 0.00 0.00 179.24 175.74 3k58 n TYR 742 N -4.41 2.45 -2.59 4.55 4.01 -0.85 -5.06 117.16 115.26 3k58 n TYR 742 Ca 0.03 -3.47 -0.43 0.00 -0.16 0.00 0.00 57.90 53.88 3k58 n TYR 742 Cb 0.11 -0.34 -0.02 0.00 -0.31 0.00 0.00 39.34 38.78 3k58 n TYR 742 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3k58 s GLN 743 N -3.19 4.34 -0.22 -0.72 0.74 -0.86 -4.58 119.66 115.15 3k58 s GLN 743 Ca 0.42 1.48 0.00 0.00 0.05 0.00 0.00 55.36 57.32 3k58 s GLN 743 Cb 0.37 -3.60 -0.14 0.00 1.10 0.00 0.00 33.01 30.73 3k58 s GLN 743 CO -0.10 -0.48 -0.21 0.54 -0.55 0.00 0.00 175.29 174.49 3k58 n ARG 744 N 5.62 0.55 -2.78 1.67 5.12 -1.26 -5.03 116.66 120.55 3k58 n ARG 744 Ca 0.11 0.14 -0.26 0.00 -1.93 0.00 0.00 57.85 55.91 3k58 n ARG 744 Cb 0.47 -1.43 0.01 0.00 -1.16 0.00 0.00 32.46 30.34 3k58 n ARG 744 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3k58 s SER 745 N -6.24 6.08 0.57 0.55 0.01 -1.26 -5.08 113.70 108.33 3k58 s SER 745 Ca -0.30 0.70 -0.17 0.00 1.31 0.00 0.00 55.95 57.49 3k58 s SER 745 Cb 0.08 -2.00 -0.05 0.00 0.21 0.00 0.00 66.02 64.27 3k58 s SER 745 CO 0.50 -0.64 1.06 -2.16 0.41 0.00 0.00 173.24 172.41 3k58 s PRO 746 N -4.68 3.41 0.37 12.44 0.04 -1.26 -4.79 135.00 140.52 3k58 s PRO 746 Ca 0.47 1.27 -0.28 0.00 0.04 0.00 0.00 61.00 62.50 3k58 s PRO 746 Cb -0.10 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 3k58 s PRO 746 CO 0.42 -0.75 1.40 -0.51 0.04 0.00 0.00 177.00 177.60 3k58 s LEU 747 N -4.25 4.32 -0.78 -3.56 1.43 -1.26 -0.96 118.68 113.63 3k58 s LEU 747 Ca 0.65 2.87 -0.16 0.00 -1.03 0.00 0.00 54.13 56.46 3k58 s LEU 747 Cb -0.17 -3.72 0.17 0.00 0.03 0.00 0.00 46.19 42.51 3k58 s LEU 747 CO 0.33 -0.78 0.80 -0.62 0.23 0.00 0.00 176.35 176.31 3k58 s ASP 748 N -0.37 6.58 0.43 2.29 -1.08 -0.03 -4.60 116.67 119.89 3k58 s ASP 748 Ca 0.53 -2.25 0.13 0.00 -0.52 0.00 0.00 52.55 50.43 3k58 s ASP 748 Cb -0.43 -2.26 0.94 0.00 -1.46 0.00 0.00 42.92 39.71 3k58 s ASP 748 CO 0.57 -0.80 1.97 1.88 0.52 0.00 0.00 175.17 179.32 3k58 h TYR 749 N 8.35 0.08 -0.74 -5.34 0.05 -1.92 -1.61 116.97 115.84 3k58 h TYR 749 Ca 0.01 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 3k58 h TYR 749 Cb 1.05 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.73 3k58 h TYR 749 CO 1.00 0.24 0.36 1.49 -1.05 0.00 0.00 178.16 180.19 3k58 h GLU 750 N 0.07 1.06 -0.47 4.88 4.57 -1.98 -0.18 114.58 122.55 3k58 h GLU 750 Ca 0.01 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 3k58 h GLU 750 Cb 0.33 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 3k58 h GLU 750 CO 0.02 0.82 0.27 1.25 -1.18 0.00 0.00 179.01 180.19 3k58 h HIS 751 N 1.06 0.63 -0.50 0.92 2.76 -1.68 -1.90 115.15 116.43 3k58 h HIS 751 Ca 0.26 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.33 3k58 h HIS 751 Cb 0.11 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 3k58 h HIS 751 CO 0.01 0.45 -0.04 1.88 -1.30 0.00 0.00 177.93 178.93 3k58 h TYR 752 N 0.62 0.94 0.25 5.26 0.05 -1.15 0.24 116.97 123.19 3k58 h TYR 752 Ca 0.17 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3k58 h TYR 752 Cb 0.02 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.51 3k58 h TYR 752 CO -0.03 0.88 -0.12 1.25 -1.05 0.00 0.00 178.16 179.09 3k58 h LEU 753 N 0.80 -0.29 -0.24 3.88 5.85 -0.88 -0.16 115.31 124.27 3k58 h LEU 753 Ca 0.14 -0.09 -0.21 0.00 0.84 0.00 0.00 57.88 58.56 3k58 h LEU 753 Cb 0.54 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.65 3k58 h LEU 753 CO 0.03 -0.08 -0.69 0.74 -0.34 0.00 0.00 178.44 178.10 3k58 h THR 754 N -0.49 1.28 0.00 1.05 2.02 -1.31 0.08 112.91 115.54 3k58 h THR 754 Ca -0.03 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.26 3k58 h THR 754 Cb 0.36 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 3k58 h THR 754 CO 0.06 0.60 -1.37 0.54 0.37 0.00 0.00 175.52 175.72 3k58 n ARG 755 N -3.96 0.58 -0.02 6.66 5.12 0.85 -4.16 116.66 121.73 3k58 n ARG 755 Ca -0.06 -0.01 -0.05 0.00 -1.93 0.00 0.00 57.85 55.79 3k58 n ARG 755 Cb 0.70 -1.68 -0.02 0.00 -1.16 0.00 0.00 32.46 30.30 3k58 n ARG 755 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3k58 n GLN 756 N -2.42 0.21 -0.05 5.56 1.13 -0.15 -4.66 117.38 117.00 3k58 n GLN 756 Ca -0.01 0.09 -0.13 0.00 -1.94 0.00 0.00 57.00 55.01 3k58 n GLN 756 Cb 0.54 -0.87 -0.07 0.00 0.11 0.00 0.00 30.24 29.95 3k58 n GLN 756 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3k58 h LEU 757 N -0.39 0.30 -0.32 1.08 3.38 -1.32 -3.29 115.31 114.75 3k58 h LEU 757 Ca -0.06 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.52 3k58 h LEU 757 Cb 0.59 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3k58 h LEU 757 CO -0.04 0.67 0.07 -0.61 0.09 0.00 0.00 178.44 178.61 3k58 h GLN 758 N -0.07 0.18 -0.93 1.13 4.15 -1.14 -1.97 115.11 116.46 3k58 h GLN 758 Ca 0.03 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.45 3k58 h GLN 758 Cb 0.56 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.17 3k58 h GLN 758 CO 0.02 0.12 0.62 -1.35 -1.93 0.00 0.00 178.83 176.31 3k58 h PRO 759 N 0.18 1.21 -0.35 -2.39 0.11 -1.73 -1.03 132.00 128.00 3k58 h PRO 759 Ca 0.15 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 3k58 h PRO 759 Cb 0.16 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 3k58 h PRO 759 CO -0.19 0.80 0.06 0.28 -0.21 0.00 0.00 178.00 178.74 3k58 h VAL 760 N 1.25 1.24 -0.53 3.15 2.07 -1.49 -2.53 116.25 119.40 3k58 h VAL 760 Ca 0.34 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 3k58 h VAL 760 Cb -0.13 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3k58 h VAL 760 CO -0.08 0.28 0.15 0.00 0.02 0.00 0.00 177.57 177.94 3k58 h ALA 761 N 0.90 0.70 -0.02 1.67 0.00 -1.00 -2.64 119.26 118.87 3k58 h ALA 761 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3k58 h ALA 761 Cb 0.36 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3k58 h ALA 761 CO 0.01 0.38 0.02 0.93 0.00 0.00 0.00 179.25 180.58 3k58 h GLU 762 N 0.74 0.00 0.00 0.00 5.08 -1.10 -0.54 114.58 118.76 3k58 h GLU 762 Ca 0.17 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3k58 h GLU 762 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3k58 h GLU 762 CO -0.00 0.00 -0.22 0.78 -1.00 0.00 0.00 179.01 178.57 3k58 h GLY 763 N 0.00 0.00 0.00 -3.84 0.00 -1.06 -3.39 103.07 94.77 3k58 h GLY 763 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3k58 h GLY 763 CO -0.00 0.00 -0.75 4.51 0.00 0.00 0.00 176.54 180.30 3k58 n ILE 764 N -3.67 0.00 -0.05 2.60 3.06 -0.56 -4.75 119.36 115.99 3k58 n ILE 764 Ca -0.01 0.00 0.09 0.00 -2.50 0.00 0.00 62.75 60.33 3k58 n ILE 764 Cb 0.34 -0.53 0.47 0.00 0.54 0.00 0.00 39.64 40.47 3k58 n ILE 764 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 3k58 h LEU 765 N 0.00 0.41 -2.17 9.51 3.38 -1.34 -1.74 115.31 123.36 3k58 h LEU 765 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k58 h LEU 765 Cb 0.75 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3k58 h LEU 765 CO 0.00 0.27 0.00 -0.65 0.09 0.00 0.00 178.44 178.15 3k58 h PRO 766 N 0.47 0.00 0.00 1.13 0.11 -1.76 0.21 132.00 132.16 3k58 h PRO 766 Ca 0.23 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.30 3k58 h PRO 766 Cb 0.31 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 3k58 h PRO 766 CO -0.06 0.00 -0.18 0.74 -0.21 0.00 0.00 178.00 178.29 3k58 h PHE 767 N 0.00 0.00 -0.31 0.65 0.04 -1.62 -2.74 116.94 112.96 3k58 h PHE 767 Ca 0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 3k58 h PHE 767 Cb 0.01 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.08 3k58 h PHE 767 CO 0.00 0.18 -0.07 0.44 -0.60 0.00 0.00 178.31 178.26 3k58 n ILE 768 N -3.39 2.46 -3.91 -0.55 -5.35 -0.38 -4.90 119.36 103.35 3k58 n ILE 768 Ca -0.00 -2.57 -0.28 0.00 -0.27 0.00 0.00 62.75 59.63 3k58 n ILE 768 Cb 0.38 -0.30 0.01 0.00 -1.74 0.00 0.00 39.64 38.00 3k58 n ILE 768 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3k58 n GLU 769 N -1.02 -4.72 -4.37 6.28 1.02 -1.03 -4.99 120.64 111.81 3k58 n GLU 769 Ca 0.30 0.54 -0.22 0.00 -0.02 0.00 0.00 57.16 57.76 3k58 n GLU 769 Cb 0.98 -5.21 -0.11 0.00 -0.02 0.00 0.00 31.44 27.08 3k58 n GLU 769 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3k58 s ASP 770 N -3.74 2.88 -0.06 1.62 -1.08 -0.08 -5.00 116.67 111.22 3k58 s ASP 770 Ca 0.41 -0.92 0.03 0.00 -0.52 0.00 0.00 52.55 51.55 3k58 s ASP 770 Cb -0.21 -0.19 0.01 0.00 -1.46 0.00 0.00 42.92 41.08 3k58 s ASP 770 CO 0.85 -0.03 -0.13 0.21 0.52 0.00 0.00 175.17 176.59 3k58 s ASN 771 N -2.91 1.84 0.21 -0.34 3.84 -1.26 -3.19 114.94 113.14 3k58 s ASN 771 Ca 0.20 -0.31 -0.06 0.00 0.21 0.00 0.00 52.86 52.89 3k58 s ASN 771 Cb -0.05 -0.79 0.17 0.00 -0.55 0.00 0.00 41.25 40.03 3k58 s ASN 771 CO 0.08 0.06 1.70 0.15 -2.79 0.00 0.00 177.10 176.29 3k58 h PHE 772 N 6.83 1.06 -0.27 0.43 3.57 -1.96 -2.40 116.94 124.20 3k58 h PHE 772 Ca -0.31 -0.16 -0.00 0.00 3.53 0.00 0.00 57.97 61.03 3k58 h PHE 772 Cb 1.19 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 3k58 h PHE 772 CO 0.48 0.93 0.17 0.00 -2.23 0.00 0.00 178.31 177.66 3k58 h ALA 773 N 1.11 0.34 -0.47 2.41 0.00 -1.98 0.21 119.26 120.86 3k58 h ALA 773 Ca 0.17 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3k58 h ALA 773 Cb 0.50 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3k58 h ALA 773 CO 0.02 -0.16 0.02 0.00 0.00 0.00 0.00 179.25 179.13 3k58 h THR 774 N 0.34 1.24 -0.25 0.00 1.03 -1.96 -1.15 112.91 112.15 3k58 h THR 774 Ca 0.10 -0.96 -0.04 0.00 -0.01 0.00 0.00 66.41 65.50 3k58 h THR 774 Cb 0.00 0.85 -0.01 0.00 -1.07 0.00 0.00 68.15 67.93 3k58 h THR 774 CO -0.02 0.34 0.00 -0.07 -0.01 0.00 0.00 175.52 175.76 3k58 h LEU 775 N 0.73 0.44 -0.62 0.00 4.07 -0.93 -1.74 115.31 117.25 3k58 h LEU 775 Ca 0.15 -0.31 0.02 0.00 0.08 0.00 0.00 57.88 57.82 3k58 h LEU 775 Cb 0.42 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.00 3k58 h LEU 775 CO 0.02 0.64 0.39 -0.03 -1.08 0.00 0.00 178.44 178.38 3k58 h MET 776 N 0.23 0.76 0.00 1.13 4.05 -0.29 -1.68 114.93 119.13 3k58 h MET 776 Ca 0.07 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 3k58 h MET 776 Cb 0.41 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 31.04 3k58 h MET 776 CO 0.01 0.50 -0.01 1.79 0.23 0.00 0.00 176.91 179.44 3k58 h THR 777 N 0.79 0.02 0.00 -0.77 1.35 -1.21 -3.10 112.91 109.99 3k58 h THR 777 Ca 0.24 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3k58 h THR 777 Cb -0.02 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3k58 h THR 777 CO -0.08 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.81 3k58 n GLY 778 N 0.51 1.21 0.00 5.82 0.00 -0.63 -4.78 105.19 107.31 3k58 n GLY 778 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3k58 n GLY 778 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k58 n LEU 782 N 0.35 0.00 0.00 0.99 7.99 -1.17 -5.10 117.00 120.05 3k58 n LEU 782 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3k58 n LEU 782 Cb 0.25 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.56 3k58 n LEU 782 CO 0.00 0.00 0.00 0.49 -1.51 0.00 0.00 177.39 176.37