#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k57 n HIS 0 N 0.00 2.11 -3.48 6.00 -0.00 -1.25 -2.15 115.22 116.45 3k57 n HIS 0 Ca 0.00 0.33 -0.15 0.00 0.46 0.00 0.00 57.72 58.36 3k57 n HIS 0 Cb 0.00 -2.51 -0.04 0.00 -0.12 0.00 0.00 29.99 27.32 3k57 n HIS 0 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3k57 s MET 1 N 1.19 1.14 0.04 1.57 0.23 -0.99 -4.92 119.30 117.55 3k57 s MET 1 Ca 0.82 -0.09 0.06 0.00 -1.03 0.00 0.00 55.69 55.45 3k57 s MET 1 Cb -0.75 0.53 -0.02 0.00 -1.53 0.00 0.00 34.83 33.06 3k57 s MET 1 CO 0.42 -0.43 -0.18 0.00 -2.03 0.00 0.00 175.02 172.80 3k57 s ALA 2 N -2.40 1.49 0.09 3.16 0.00 -1.26 -3.10 121.76 119.74 3k57 s ALA 2 Ca -0.05 -0.95 -0.26 0.00 0.00 0.00 0.00 51.96 50.70 3k57 s ALA 2 Cb -0.00 -0.27 0.08 0.00 0.00 0.00 0.00 23.12 22.93 3k57 s ALA 2 CO -0.01 0.31 0.83 1.14 0.00 0.00 0.00 175.76 178.04 3k57 s GLN 3 N -1.16 1.07 0.27 0.00 -2.07 -0.94 -4.99 119.66 111.85 3k57 s GLN 3 Ca 0.05 -0.47 -0.21 0.00 -1.82 0.00 0.00 55.36 52.90 3k57 s GLN 3 Cb -0.08 0.44 -0.09 0.00 -1.09 0.00 0.00 33.01 32.19 3k57 s GLN 3 CO 0.02 -0.48 0.81 0.00 -1.32 0.00 0.00 175.29 174.32 3k57 s ALA 4 N -3.34 3.32 0.25 2.60 0.00 -1.26 -0.78 121.76 122.54 3k57 s ALA 4 Ca 0.06 0.29 -0.19 0.00 0.00 0.00 0.00 51.96 52.12 3k57 s ALA 4 Cb -0.01 -2.95 0.02 0.00 0.00 0.00 0.00 23.12 20.17 3k57 s ALA 4 CO -0.06 0.27 0.62 0.20 0.00 0.00 0.00 175.76 176.78 3k57 s GLY 5 N -1.71 -0.00 -0.12 0.00 0.00 0.14 -4.54 107.32 101.09 3k57 s GLY 5 Ca 0.47 -0.35 -0.00 0.00 0.00 0.00 0.00 44.72 44.84 3k57 s GLY 5 CO 0.21 -0.22 -0.07 -0.12 0.00 0.00 0.00 173.10 172.90 3k57 s PHE 6 N -3.92 1.48 0.13 1.90 5.36 -0.15 0.39 117.98 123.18 3k57 s PHE 6 Ca 0.12 -0.76 -0.31 0.00 -0.96 0.00 0.00 56.93 55.02 3k57 s PHE 6 Cb -0.03 -1.23 -0.10 0.00 -0.34 0.00 0.00 43.02 41.32 3k57 s PHE 6 CO 0.04 -0.52 1.62 0.42 -1.46 0.00 0.00 175.22 175.31 3k57 s ILE 7 N 1.71 2.73 -0.21 3.12 1.01 -0.51 -0.14 121.20 128.91 3k57 s ILE 7 Ca 0.04 0.42 -0.13 0.00 0.00 0.00 0.00 60.65 60.99 3k57 s ILE 7 Cb -0.13 -3.27 -0.09 0.00 0.01 0.00 0.00 42.46 38.98 3k57 s ILE 7 CO -0.08 0.02 -0.30 0.18 0.00 0.00 0.00 174.94 174.76 3k57 n LEU 8 N 4.60 1.69 -4.23 2.97 4.77 0.47 -4.82 117.00 122.45 3k57 n LEU 8 Ca 0.15 0.29 -0.17 0.00 -0.03 0.00 0.00 56.01 56.25 3k57 n LEU 8 Cb 0.39 -0.69 -0.11 0.00 -2.33 0.00 0.00 43.42 40.68 3k57 n LEU 8 CO 0.62 0.29 -0.44 0.42 -1.33 0.00 0.00 177.39 176.96 3k57 s THR 9 N -2.51 1.26 0.02 -5.08 -4.23 -1.18 -4.70 115.64 99.22 3k57 s THR 9 Ca -0.31 -1.74 0.07 0.00 -1.18 0.00 0.00 61.69 58.53 3k57 s THR 9 Cb 0.10 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.39 3k57 s THR 9 CO 0.40 -0.47 -0.21 -0.13 -0.54 0.00 0.00 174.62 173.67 3k57 s ARG 10 N -2.80 1.53 0.05 3.99 0.52 -1.26 -1.84 118.95 119.13 3k57 s ARG 10 Ca 0.09 -0.87 -0.10 0.00 -0.52 0.00 0.00 55.73 54.33 3k57 s ARG 10 Cb -0.04 -1.58 0.01 0.00 0.52 0.00 0.00 34.95 33.86 3k57 s ARG 10 CO 0.02 0.42 0.22 -1.01 0.02 0.00 0.00 175.30 174.97 3k57 s HIS 11 N -0.67 0.03 -0.05 -0.53 3.76 -0.28 -5.01 115.29 112.54 3k57 s HIS 11 Ca 0.08 -0.25 -0.22 0.00 -0.15 0.00 0.00 55.06 54.52 3k57 s HIS 11 Cb -0.09 -0.01 0.05 0.00 1.11 0.00 0.00 32.58 33.65 3k57 s HIS 11 CO 0.01 -0.46 0.49 1.67 -0.85 0.00 0.00 174.74 175.60 3k57 s TRP 12 N -2.68 -0.42 -0.17 1.40 1.48 -1.26 -1.18 118.94 116.11 3k57 s TRP 12 Ca -0.04 0.75 -0.16 0.00 -1.06 0.00 0.00 56.10 55.58 3k57 s TRP 12 Cb -0.00 0.24 0.04 0.00 -1.16 0.00 0.00 33.47 32.59 3k57 s TRP 12 CO -0.04 -0.47 0.46 -0.98 -4.06 0.00 0.00 176.95 171.85 3k57 s ARG 13 N -1.10 0.55 0.27 3.25 1.70 -0.52 -4.99 118.95 118.10 3k57 s ARG 13 Ca -0.11 0.61 -0.29 0.00 -0.47 0.00 0.00 55.73 55.47 3k57 s ARG 13 Cb -0.03 0.27 -0.09 0.00 -0.57 0.00 0.00 34.95 34.52 3k57 s ARG 13 CO 0.06 -0.07 0.97 -0.51 -1.08 0.00 0.00 175.30 174.67 3k57 s ASP 14 N 0.19 7.50 0.21 -2.89 1.01 -1.26 -0.98 116.67 120.45 3k57 s ASP 14 Ca -0.00 1.98 -0.01 0.00 0.71 0.00 0.00 52.55 55.23 3k57 s ASP 14 Cb -0.03 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 3k57 s ASP 14 CO 0.01 0.05 0.13 0.42 0.21 0.00 0.00 175.17 175.99 3k57 s THR 15 N -1.28 0.02 0.47 -1.27 -4.23 -1.04 -4.92 115.64 103.39 3k57 s THR 15 Ca 0.44 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.12 3k57 s THR 15 Cb -0.25 -2.51 0.23 0.00 1.34 0.00 0.00 72.50 71.31 3k57 s THR 15 CO 0.32 0.00 2.06 -0.65 -0.54 0.00 0.00 174.62 175.80 3k57 h PRO 16 N 2.59 0.00 -0.01 3.99 0.11 -1.99 -1.15 132.00 135.56 3k57 h PRO 16 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3k57 h PRO 16 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3k57 h PRO 16 CO 0.53 0.12 -0.15 1.04 -0.21 0.00 0.00 178.00 179.33 3k57 n GLN 17 N -4.25 0.77 0.00 1.05 3.00 -1.26 -5.04 117.38 111.65 3k57 n GLN 17 Ca -0.03 -0.33 0.00 0.00 -0.01 0.00 0.00 57.00 56.63 3k57 n GLN 17 Cb 0.20 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.94 3k57 n GLN 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3k57 n GLY 18 N 1.29 2.60 3.67 1.08 0.00 -0.43 -4.86 105.19 108.54 3k57 n GLY 18 Ca 0.14 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 3k57 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k57 s THR 19 N -1.97 4.14 -0.19 2.61 2.01 -1.19 -2.51 115.64 118.55 3k57 s THR 19 Ca 0.00 1.44 -0.15 0.00 0.31 0.00 0.00 61.69 63.29 3k57 s THR 19 Cb 0.00 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 3k57 s THR 19 CO 0.00 -0.07 0.33 -0.70 -0.69 0.00 0.00 174.62 173.50 3k57 s GLU 20 N 2.94 4.20 -0.10 4.92 2.12 -0.15 -1.49 118.70 131.13 3k57 s GLU 20 Ca 0.58 0.11 0.02 0.00 0.36 0.00 0.00 54.97 56.04 3k57 s GLU 20 Cb -0.25 -3.49 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 3k57 s GLU 20 CO 0.20 0.09 -0.18 0.08 -0.54 0.00 0.00 175.26 174.91 3k57 s VAL 21 N 0.93 2.68 0.06 3.70 1.01 -1.26 -1.44 120.40 126.08 3k57 s VAL 21 Ca 0.17 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 3k57 s VAL 21 Cb -0.14 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 3k57 s VAL 21 CO 0.06 0.55 -0.04 -0.94 0.00 0.00 0.00 175.10 174.73 3k57 s SER 22 N 0.12 0.63 0.02 3.32 1.04 -0.32 -0.98 113.70 117.52 3k57 s SER 22 Ca -0.09 -0.99 -0.02 0.00 0.48 0.00 0.00 55.95 55.34 3k57 s SER 22 Cb -0.15 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 3k57 s SER 22 CO 0.05 -0.56 0.02 -0.36 0.98 0.00 0.00 173.24 173.37 3k57 s PHE 23 N -3.78 0.20 -0.20 5.02 0.08 0.42 -1.12 117.98 118.60 3k57 s PHE 23 Ca 0.07 -0.43 -0.04 0.00 0.12 0.00 0.00 56.93 56.66 3k57 s PHE 23 Cb 0.07 -0.15 -0.02 0.00 -0.57 0.00 0.00 43.02 42.35 3k57 s PHE 23 CO -0.09 -0.22 -0.03 -1.58 -0.10 0.00 0.00 175.22 173.20 3k57 s TRP 24 N -1.50 2.98 0.02 0.36 0.52 -0.77 -0.36 118.94 120.19 3k57 s TRP 24 Ca -0.15 -0.64 0.05 0.00 0.02 0.00 0.00 56.10 55.38 3k57 s TRP 24 Cb -0.09 -2.05 -0.03 0.00 -1.15 0.00 0.00 33.47 30.14 3k57 s TRP 24 CO -0.00 -0.33 -0.10 -0.51 0.02 0.00 0.00 176.95 176.02 3k57 s LEU 25 N 1.05 3.00 -0.20 2.99 1.02 0.59 -0.40 118.68 126.73 3k57 s LEU 25 Ca 0.01 -0.24 -0.14 0.00 0.02 0.00 0.00 54.13 53.78 3k57 s LEU 25 Cb -0.15 -1.74 -0.04 0.00 0.02 0.00 0.00 46.19 44.28 3k57 s LEU 25 CO 0.01 0.27 0.29 0.00 0.02 0.00 0.00 176.35 176.93 3k57 s ALA 26 N -0.99 3.59 0.37 4.21 0.00 0.81 -0.58 121.76 129.16 3k57 s ALA 26 Ca 0.17 -0.61 0.04 0.00 0.00 0.00 0.00 51.96 51.56 3k57 s ALA 26 Cb -0.11 -2.45 -0.05 0.00 0.00 0.00 0.00 23.12 20.51 3k57 s ALA 26 CO 0.07 -0.13 0.07 0.95 0.00 0.00 0.00 175.76 176.73 3k57 s THR 27 N 0.94 1.03 0.50 0.00 -4.23 -0.78 -0.97 115.64 112.13 3k57 s THR 27 Ca 0.15 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 59.03 3k57 s THR 27 Cb -0.14 -2.60 0.40 0.00 1.34 0.00 0.00 72.50 71.51 3k57 s THR 27 CO 0.05 0.00 2.23 0.44 -0.54 0.00 0.00 174.62 176.81 3k57 h ASP 28 N 1.92 0.00 -0.48 3.99 3.32 -1.93 -1.56 116.42 121.68 3k57 h ASP 28 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3k57 h ASP 28 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3k57 h ASP 28 CO 0.66 0.02 0.00 0.59 -1.72 0.00 0.00 179.24 178.79 3k57 n ASN 29 N -3.27 3.83 0.00 6.45 3.02 -1.26 -5.01 115.26 119.02 3k57 n ASN 29 Ca -0.02 -2.32 0.00 0.00 -0.03 0.00 0.00 54.58 52.21 3k57 n ASN 29 Cb 0.15 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 3k57 n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k57 n GLY 30 N 0.70 -1.05 3.77 7.41 0.00 -0.59 -5.01 105.19 110.42 3k57 n GLY 30 Ca 0.20 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 3k57 n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k57 s PRO 31 N -0.07 4.24 -0.10 1.61 0.04 -1.26 -1.87 135.00 137.59 3k57 s PRO 31 Ca 0.00 2.39 -0.02 0.00 0.04 0.00 0.00 61.00 63.41 3k57 s PRO 31 Cb 0.00 -3.03 0.04 0.00 0.04 0.00 0.00 34.50 31.54 3k57 s PRO 31 CO 0.00 -0.37 0.01 -1.17 0.04 0.00 0.00 177.00 175.51 3k57 s LEU 32 N -1.69 0.71 0.02 -3.56 2.96 0.26 -4.94 118.68 112.43 3k57 s LEU 32 Ca 0.52 -0.27 -0.23 0.00 -0.22 0.00 0.00 54.13 53.93 3k57 s LEU 32 Cb -0.43 -0.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.74 3k57 s LEU 32 CO 0.56 -0.22 0.69 -1.58 -1.32 0.00 0.00 176.35 174.47 3k57 s GLN 33 N 1.95 4.41 -0.07 1.98 0.74 -1.26 -0.30 119.66 127.12 3k57 s GLN 33 Ca 0.04 0.91 0.02 0.00 0.05 0.00 0.00 55.36 56.37 3k57 s GLN 33 Cb -0.13 -3.36 0.01 0.00 1.10 0.00 0.00 33.01 30.63 3k57 s GLN 33 CO -0.06 0.30 -0.12 0.08 -0.55 0.00 0.00 175.29 174.95 3k57 s VAL 34 N -0.05 1.11 -0.07 1.34 1.01 0.52 -1.20 120.40 123.05 3k57 s VAL 34 Ca 0.35 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.92 3k57 s VAL 34 Cb -0.19 -1.03 -0.00 0.00 0.00 0.00 0.00 36.38 35.15 3k57 s VAL 34 CO 0.20 0.35 -0.21 -0.89 0.00 0.00 0.00 175.10 174.56 3k57 s THR 35 N 0.78 1.77 0.72 3.92 2.01 0.17 -0.44 115.64 124.57 3k57 s THR 35 Ca -0.12 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 60.93 3k57 s THR 35 Cb -0.15 -1.52 0.08 0.00 0.01 0.00 0.00 72.50 70.91 3k57 s THR 35 CO 0.02 0.50 1.03 -0.76 -0.69 0.00 0.00 174.62 174.72 3k57 s LEU 36 N 0.17 2.86 0.78 4.42 1.43 -0.15 -2.27 118.68 125.93 3k57 s LEU 36 Ca -0.10 0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 53.17 3k57 s LEU 36 Cb -0.15 -2.86 0.06 0.00 0.03 0.00 0.00 46.19 43.28 3k57 s LEU 36 CO 0.05 -1.72 1.13 0.00 0.23 0.00 0.00 176.35 176.04 3k57 s ALA 37 N -3.26 2.55 0.26 4.21 0.00 -1.26 -4.57 121.76 119.68 3k57 s ALA 37 Ca 0.62 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 3k57 s ALA 37 Cb -0.09 -3.02 -0.14 0.00 0.00 0.00 0.00 23.12 19.87 3k57 s ALA 37 CO 0.45 -1.57 1.26 -2.30 0.00 0.00 0.00 175.76 173.60 3k57 n PRO 38 N -3.29 1.76 -4.72 0.00 -0.02 -1.26 -4.64 135.00 122.82 3k57 n PRO 38 Ca 0.07 0.62 -0.33 0.00 -2.02 0.00 0.00 63.50 61.85 3k57 n PRO 38 Cb 0.59 -2.18 -0.15 0.00 -0.02 0.00 0.00 33.50 31.74 3k57 n PRO 38 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3k57 s GLN 39 N -0.92 3.35 0.47 -0.52 -1.52 -0.56 -4.92 119.66 115.05 3k57 s GLN 39 Ca 0.65 -0.70 -0.20 0.00 -1.95 0.00 0.00 55.36 53.16 3k57 s GLN 39 Cb -0.68 -2.64 -0.09 0.00 -0.22 0.00 0.00 33.01 29.38 3k57 s GLN 39 CO 0.55 0.17 0.99 -1.21 -0.25 0.00 0.00 175.29 175.53 3k57 s GLU 40 N 0.46 4.00 -0.13 2.91 2.02 -1.26 -4.15 118.70 122.55 3k57 s GLU 40 Ca -0.10 1.16 -0.07 0.00 0.02 0.00 0.00 54.97 55.99 3k57 s GLU 40 Cb -0.16 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.89 3k57 s GLU 40 CO 0.05 -0.23 0.11 -1.12 0.02 0.00 0.00 175.26 174.09 3k57 s SER 41 N -2.32 6.14 0.00 -0.19 0.01 0.11 -4.92 113.70 112.53 3k57 s SER 41 Ca 0.63 0.36 0.04 0.00 1.31 0.00 0.00 55.95 58.29 3k57 s SER 41 Cb -0.12 -1.98 -0.01 0.00 0.21 0.00 0.00 66.02 64.12 3k57 s SER 41 CO 0.20 0.35 -0.12 0.54 0.41 0.00 0.00 173.24 174.62 3k57 s VAL 42 N -0.70 0.95 0.17 3.43 0.11 -1.26 -0.21 120.40 122.88 3k57 s VAL 42 Ca 0.13 -0.61 0.01 0.00 -2.93 0.00 0.00 61.98 58.57 3k57 s VAL 42 Cb -0.12 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 3k57 s VAL 42 CO 0.03 0.19 0.04 0.00 -3.33 0.00 0.00 175.10 172.03 3k57 s ALA 43 N -0.42 1.22 0.11 1.54 0.00 -0.42 -4.57 121.76 119.22 3k57 s ALA 43 Ca 0.04 -1.59 0.09 0.00 0.00 0.00 0.00 51.96 50.49 3k57 s ALA 43 Cb -0.05 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 3k57 s ALA 43 CO -0.00 -0.41 -0.22 -0.06 0.00 0.00 0.00 175.76 175.07 3k57 s PHE 44 N -3.83 1.92 -0.01 0.00 0.08 -0.27 0.11 117.98 115.98 3k57 s PHE 44 Ca 0.26 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.92 3k57 s PHE 44 Cb 0.07 -1.05 -0.00 0.00 -0.57 0.00 0.00 43.02 41.47 3k57 s PHE 44 CO 0.05 0.23 -0.05 0.42 -0.10 0.00 0.00 175.22 175.77 3k57 s ILE 45 N -1.12 0.43 0.31 0.64 1.01 -0.07 -0.15 121.20 122.25 3k57 s ILE 45 Ca 0.08 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 3k57 s ILE 45 Cb -0.10 -0.38 -0.12 0.00 0.01 0.00 0.00 42.46 41.88 3k57 s ILE 45 CO 0.05 0.13 1.52 -2.65 0.00 0.00 0.00 174.94 173.99 3k57 n PRO 46 N 3.05 2.56 -0.32 2.79 -0.02 -1.26 0.18 135.00 141.98 3k57 n PRO 46 Ca -0.14 0.91 0.08 0.00 -2.02 0.00 0.00 63.50 62.33 3k57 n PRO 46 Cb 0.57 -2.65 0.24 0.00 -0.02 0.00 0.00 33.50 31.65 3k57 n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k57 h ALA 47 N 4.16 1.39 0.00 3.55 0.00 -1.50 0.85 119.26 127.71 3k57 h ALA 47 Ca -0.47 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3k57 h ALA 47 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3k57 h ALA 47 CO 0.74 -0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.59 3k57 n ASP 48 N -4.79 0.45 -0.86 0.00 5.75 -1.26 -1.99 116.55 113.84 3k57 n ASP 48 Ca 0.18 0.62 0.10 0.00 -0.01 0.00 0.00 54.79 55.68 3k57 n ASP 48 Cb 0.43 -0.71 0.12 0.00 -1.03 0.00 0.00 41.12 39.93 3k57 n ASP 48 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k57 n GLN 49 N -2.00 1.96 -0.33 0.11 6.02 0.27 -4.49 117.38 118.92 3k57 n GLN 49 Ca 0.02 -1.85 -0.01 0.00 -0.01 0.00 0.00 57.00 55.16 3k57 n GLN 49 Cb 0.20 -1.40 0.16 0.00 1.02 0.00 0.00 30.24 30.22 3k57 n GLN 49 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3k57 h VAL 50 N 3.83 1.23 -0.52 5.09 2.07 -1.13 -0.07 116.25 126.74 3k57 h VAL 50 Ca 0.00 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 3k57 h VAL 50 Cb 0.84 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3k57 h VAL 50 CO 0.00 0.23 0.21 -0.65 0.02 0.00 0.00 177.57 177.38 3k57 h PRO 51 N 1.24 0.77 -0.33 1.57 0.11 -1.79 0.32 132.00 133.90 3k57 h PRO 51 Ca 0.34 -0.13 -0.09 0.00 0.11 0.00 0.00 66.00 66.23 3k57 h PRO 51 Cb -0.12 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 30.85 3k57 h PRO 51 CO -0.08 0.67 -0.17 -0.09 -0.21 0.00 0.00 178.00 178.12 3k57 h ARG 52 N 0.69 0.59 -0.80 1.05 2.43 -1.72 -2.43 114.38 114.20 3k57 h ARG 52 Ca 0.17 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3k57 h ARG 52 Cb 0.18 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 3k57 h ARG 52 CO -0.02 0.74 0.40 0.00 -1.51 0.00 0.00 179.97 179.59 3k57 h ALA 53 N 1.28 1.21 -0.13 2.80 0.00 -0.44 -2.03 119.26 121.95 3k57 h ALA 53 Ca 0.09 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3k57 h ALA 53 Cb 0.60 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3k57 h ALA 53 CO 0.04 0.62 -0.31 1.96 0.00 0.00 0.00 179.25 181.56 3k57 h GLN 54 N 1.12 0.24 -0.53 0.00 4.20 -0.58 -1.65 115.11 117.91 3k57 h GLN 54 Ca 0.28 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.83 3k57 h GLN 54 Cb 0.08 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3k57 h GLN 54 CO -0.04 0.53 0.08 0.45 -0.67 0.00 0.00 178.83 179.19 3k57 h HIS 55 N 0.22 0.94 -0.17 2.96 3.86 -0.91 -1.52 115.15 120.52 3k57 h HIS 55 Ca 0.03 -0.13 -0.13 0.00 -1.16 0.00 0.00 60.37 58.98 3k57 h HIS 55 Cb 0.66 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 3k57 h HIS 55 CO 0.01 0.84 -0.43 0.82 0.86 0.00 0.00 177.93 180.03 3k57 h ILE 56 N 0.77 1.31 -0.57 2.45 2.04 -1.26 -3.06 117.51 119.20 3k57 h ILE 56 Ca 0.16 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.41 3k57 h ILE 56 Cb 0.41 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3k57 h ILE 56 CO 0.01 0.49 0.00 0.18 0.00 0.00 0.00 178.15 178.84 3k57 n LEU 57 N -4.01 3.52 -4.71 1.44 4.77 -0.64 -4.95 117.00 112.42 3k57 n LEU 57 Ca -0.02 -1.77 -0.42 0.00 -0.03 0.00 0.00 56.01 53.77 3k57 n LEU 57 Cb 0.52 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3k57 n LEU 57 CO 0.44 0.74 1.36 1.67 -1.33 0.00 0.00 177.39 180.28 3k57 n GLN 58 N 1.08 2.73 -0.01 3.23 -0.06 -0.59 -1.30 117.38 122.47 3k57 n GLN 58 Ca 0.20 0.98 0.00 0.00 -2.00 0.00 0.00 57.00 56.19 3k57 n GLN 58 Cb 0.61 -2.83 0.00 0.00 -4.06 0.00 0.00 30.24 23.96 3k57 n GLN 58 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3k57 n GLY 59 N 3.93 0.28 3.90 1.69 0.00 -1.26 -5.07 105.19 108.66 3k57 n GLY 59 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3k57 n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k57 s GLU 60 N -0.92 3.66 0.34 1.61 0.41 -0.42 -5.11 118.70 118.28 3k57 s GLU 60 Ca 0.00 0.05 0.03 0.00 -0.41 0.00 0.00 54.97 54.64 3k57 s GLU 60 Cb 0.00 -2.67 -0.05 0.00 -1.78 0.00 0.00 34.13 29.63 3k57 s GLU 60 CO 0.00 0.27 0.10 -0.65 -0.49 0.00 0.00 175.26 174.49 3k57 s GLN 61 N -3.29 1.69 -0.85 1.61 1.11 -1.26 -4.89 119.66 113.77 3k57 s GLN 61 Ca 0.44 -1.97 -0.04 0.00 0.01 0.00 0.00 55.36 53.81 3k57 s GLN 61 Cb -0.11 -0.59 0.00 0.00 -1.01 0.00 0.00 33.01 31.30 3k57 s GLN 61 CO 0.27 -0.33 0.50 0.41 0.01 0.00 0.00 175.29 176.16 3k57 n GLY 62 N -0.70 0.03 3.47 3.09 0.00 -1.26 -5.02 105.19 104.80 3k57 n GLY 62 Ca -0.03 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 3k57 n GLY 62 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k57 s PHE 63 N -3.03 -0.05 0.03 1.61 -0.12 -1.26 -3.26 117.98 111.91 3k57 s PHE 63 Ca 0.25 -0.30 -0.12 0.00 -0.05 0.00 0.00 56.93 56.72 3k57 s PHE 63 Cb -0.11 0.31 0.01 0.00 -0.63 0.00 0.00 43.02 42.60 3k57 s PHE 63 CO 0.31 -0.86 0.25 -0.98 -0.05 0.00 0.00 175.22 173.88 3k57 s ARG 64 N -3.88 0.70 -0.18 1.99 1.70 -0.66 -4.99 118.95 113.64 3k57 s ARG 64 Ca 0.10 -0.48 0.01 0.00 -0.47 0.00 0.00 55.73 54.88 3k57 s ARG 64 Cb -0.00 0.30 0.02 0.00 -0.57 0.00 0.00 34.95 34.70 3k57 s ARG 64 CO -0.03 -0.21 -0.20 -0.51 -1.08 0.00 0.00 175.30 173.27 3k57 s LEU 65 N -1.86 2.09 -0.03 -1.89 1.43 -1.25 -0.82 118.68 116.34 3k57 s LEU 65 Ca -0.08 -0.63 0.03 0.00 -1.03 0.00 0.00 54.13 52.42 3k57 s LEU 65 Cb -0.02 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.75 3k57 s LEU 65 CO -0.02 -0.00 -0.10 -0.89 0.23 0.00 0.00 176.35 175.57 3k57 s THR 66 N 1.29 0.87 0.41 5.49 2.01 -0.24 -4.93 115.64 120.56 3k57 s THR 66 Ca 0.05 -0.40 -0.25 0.00 0.31 0.00 0.00 61.69 61.40 3k57 s THR 66 Cb -0.13 -0.78 -0.08 0.00 0.01 0.00 0.00 72.50 71.52 3k57 s THR 66 CO -0.13 0.27 1.15 -2.16 -0.69 0.00 0.00 174.62 173.07 3k57 s PRO 67 N 0.22 4.01 0.10 4.92 0.04 -1.26 0.68 135.00 143.71 3k57 s PRO 67 Ca -0.04 1.78 0.03 0.00 0.04 0.00 0.00 61.00 62.81 3k57 s PRO 67 Cb -0.09 -2.60 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 3k57 s PRO 67 CO 0.01 -0.34 -0.09 -0.51 0.04 0.00 0.00 177.00 176.10 3k57 s LEU 68 N -2.62 2.44 -1.43 -3.56 1.43 -1.04 -4.82 118.68 109.08 3k57 s LEU 68 Ca 0.58 -0.87 -0.10 0.00 -1.03 0.00 0.00 54.13 52.71 3k57 s LEU 68 Cb -0.29 -0.25 0.06 0.00 0.03 0.00 0.00 46.19 45.74 3k57 s LEU 68 CO 0.36 -0.32 2.35 0.00 0.23 0.00 0.00 176.35 178.98 3k57 n ALA 69 N 0.35 6.27 -2.73 4.21 0.00 -1.26 -4.51 120.51 122.84 3k57 n ALA 69 Ca -0.15 -3.95 -0.09 0.00 0.00 0.00 0.00 53.44 49.25 3k57 n ALA 69 Cb 0.59 -3.19 -0.10 0.00 0.00 0.00 0.00 19.45 16.75 3k57 n ALA 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k57 s LEU 70 N 0.18 1.87 0.18 0.00 1.43 -1.26 -4.84 118.68 116.24 3k57 s LEU 70 Ca 0.52 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 53.14 3k57 s LEU 70 Cb 0.15 0.54 -0.05 0.00 0.03 0.00 0.00 46.19 46.86 3k57 s LEU 70 CO -0.06 -0.49 -0.10 -0.54 0.23 0.00 0.00 176.35 175.39 3k57 s LYS 71 N -2.51 1.18 0.64 1.70 1.02 0.07 -1.30 119.74 120.54 3k57 s LYS 71 Ca -0.06 -1.52 0.02 0.00 0.02 0.00 0.00 55.97 54.43 3k57 s LYS 71 Cb -0.02 -0.78 0.09 0.00 -0.52 0.00 0.00 37.83 36.61 3k57 s LYS 71 CO -0.04 0.09 0.89 0.16 -0.92 0.00 0.00 175.35 175.53 3k57 s ASP 72 N -3.23 4.75 0.00 2.83 1.47 -0.18 -1.34 116.67 120.96 3k57 s ASP 72 Ca 0.20 -0.40 0.10 0.00 1.18 0.00 0.00 52.55 53.63 3k57 s ASP 72 Cb 0.02 -0.15 0.52 0.00 -0.34 0.00 0.00 42.92 42.98 3k57 s ASP 72 CO 0.03 -1.56 1.15 0.49 0.68 0.00 0.00 175.17 175.96 3k57 n PHE 73 N -2.57 0.00 -0.12 2.11 3.01 -1.26 -0.19 117.46 118.44 3k57 n PHE 73 Ca 0.13 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.71 3k57 n PHE 73 Cb 0.61 -0.20 0.27 0.00 -0.01 0.00 0.00 39.48 40.15 3k57 n PHE 73 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3k57 n HIS 74 N -1.20 0.77 -1.58 1.38 8.25 -1.26 -4.93 115.22 116.65 3k57 n HIS 74 Ca 0.05 -0.41 -0.13 0.00 -0.26 0.00 0.00 57.72 56.97 3k57 n HIS 74 Cb 0.06 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.13 3k57 n HIS 74 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3k57 n ARG 75 N 1.51 -0.95 -3.45 -0.41 1.74 0.73 -5.00 116.66 110.82 3k57 n ARG 75 Ca 0.22 0.89 -0.37 0.00 -0.77 0.00 0.00 57.85 57.82 3k57 n ARG 75 Cb 0.60 -5.00 -0.06 0.00 -1.02 0.00 0.00 32.46 26.98 3k57 n ARG 75 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3k57 s GLN 76 N -3.48 4.22 0.73 5.56 2.00 -1.25 -4.80 119.66 122.64 3k57 s GLN 76 Ca 0.00 0.27 -0.16 0.00 -2.00 0.00 0.00 55.36 53.48 3k57 s GLN 76 Cb 0.00 -3.40 0.03 0.00 0.80 0.00 0.00 33.01 30.44 3k57 s GLN 76 CO 0.00 0.28 1.14 -2.30 -0.50 0.00 0.00 175.29 173.91 3k57 n PRO 77 N 3.33 0.56 -4.33 1.67 -0.02 -1.26 -1.01 135.00 133.95 3k57 n PRO 77 Ca -0.10 0.26 -0.18 0.00 -2.02 0.00 0.00 63.50 61.45 3k57 n PRO 77 Cb 0.52 -2.38 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 3k57 n PRO 77 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k57 s VAL 78 N -1.80 1.64 0.04 -1.45 -7.23 -0.42 -1.26 120.40 109.92 3k57 s VAL 78 Ca 0.76 -2.15 0.04 0.00 -1.81 0.00 0.00 61.98 58.82 3k57 s VAL 78 Cb -0.34 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 3k57 s VAL 78 CO 0.48 -0.59 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.31 3k57 s TYR 79 N -2.93 2.90 -0.10 2.82 4.12 0.13 -2.49 117.35 121.79 3k57 s TYR 79 Ca 0.21 -0.05 -0.17 0.00 0.02 0.00 0.00 57.07 57.08 3k57 s TYR 79 Cb -0.01 -1.56 -0.05 0.00 -1.52 0.00 0.00 41.96 38.82 3k57 s TYR 79 CO 0.06 0.41 0.43 0.20 0.02 0.00 0.00 175.55 176.67 3k57 s GLY 80 N -1.78 2.38 -0.34 0.71 0.00 0.21 -0.90 107.32 107.60 3k57 s GLY 80 Ca 0.20 -0.24 -0.08 0.00 0.00 0.00 0.00 44.72 44.59 3k57 s GLY 80 CO 0.11 0.58 0.14 -2.27 0.00 0.00 0.00 173.10 171.67 3k57 s LEU 81 N 0.25 4.37 -0.16 0.66 2.96 0.12 -1.07 118.68 125.80 3k57 s LEU 81 Ca 0.24 -0.96 -0.04 0.00 -0.22 0.00 0.00 54.13 53.14 3k57 s LEU 81 Cb -0.15 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 3k57 s LEU 81 CO 0.10 -0.32 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.47 3k57 s TYR 82 N 1.49 3.03 0.11 5.38 2.02 -0.00 -1.30 117.35 128.08 3k57 s TYR 82 Ca 0.01 -0.31 0.10 0.00 -0.37 0.00 0.00 57.07 56.49 3k57 s TYR 82 Cb -0.19 -1.97 -0.04 0.00 -0.40 0.00 0.00 41.96 39.37 3k57 s TYR 82 CO 0.04 -0.05 -0.24 0.00 -1.57 0.00 0.00 175.55 173.73 3k57 n ARG 84 N 1.04 0.12 -4.36 0.00 5.12 -1.20 -0.71 116.66 116.67 3k57 n ARG 84 Ca -0.19 0.13 -0.18 0.00 -1.93 0.00 0.00 57.85 55.68 3k57 n ARG 84 Cb 0.53 -1.65 -0.15 0.00 -1.16 0.00 0.00 32.46 30.03 3k57 n ARG 84 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3k57 s ALA 85 N -3.06 0.76 0.18 7.54 0.00 -1.26 -3.20 121.76 122.72 3k57 s ALA 85 Ca 0.12 -0.41 -0.07 0.00 0.00 0.00 0.00 51.96 51.60 3k57 s ALA 85 Cb 0.15 -0.18 0.09 0.00 0.00 0.00 0.00 23.12 23.18 3k57 s ALA 85 CO 0.54 0.18 1.57 1.25 0.00 0.00 0.00 175.76 179.30 3k57 h HIS 86 N 5.86 0.98 -0.04 0.00 2.76 -1.91 -2.50 115.15 120.30 3k57 h HIS 86 Ca -0.31 -0.25 -0.04 0.00 -2.20 0.00 0.00 60.37 57.57 3k57 h HIS 86 Cb 1.18 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 3k57 h HIS 86 CO 0.41 1.02 -0.17 0.00 -1.30 0.00 0.00 177.93 177.89 3k57 h ARG 87 N 0.72 0.07 -0.44 5.26 2.47 -1.99 -0.98 114.38 119.48 3k57 h ARG 87 Ca 0.08 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.74 3k57 h ARG 87 Cb 0.83 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.13 3k57 h ARG 87 CO 0.07 0.24 0.10 0.37 0.56 0.00 0.00 179.97 181.31 3k57 h GLN 88 N 0.06 0.71 -0.72 0.04 4.15 -1.91 -1.59 115.11 115.85 3k57 h GLN 88 Ca 0.01 -0.17 -0.05 0.00 0.77 0.00 0.00 58.65 59.21 3k57 h GLN 88 Cb 0.35 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 3k57 h GLN 88 CO 0.02 0.72 0.26 1.25 -1.93 0.00 0.00 178.83 179.15 3k57 h LEU 89 N 0.58 1.01 -0.99 -2.39 5.85 -0.89 -1.31 115.31 117.18 3k57 h LEU 89 Ca 0.14 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.69 3k57 h LEU 89 Cb 0.33 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 3k57 h LEU 89 CO 0.00 0.93 0.65 0.24 -0.34 0.00 0.00 178.44 179.92 3k57 h MET 90 N 1.04 1.26 -0.28 1.25 2.86 -0.90 0.15 114.93 120.30 3k57 h MET 90 Ca 0.24 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.71 3k57 h MET 90 Cb 0.25 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3k57 h MET 90 CO -0.01 0.83 -0.17 -0.91 1.06 0.00 0.00 176.91 177.70 3k57 h ASN 91 N 1.29 0.64 -0.63 1.22 2.35 -0.91 -2.59 115.58 116.96 3k57 h ASN 91 Ca 0.38 -0.43 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 3k57 h ASN 91 Cb -0.08 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 3k57 h ASN 91 CO -0.10 0.93 0.16 1.88 -1.65 0.00 0.00 177.43 178.64 3k57 h TYR 92 N 0.36 1.08 -0.37 1.19 -1.99 -0.80 -1.19 116.97 115.25 3k57 h TYR 92 Ca 0.06 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.67 3k57 h TYR 92 Cb 0.71 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 3k57 h TYR 92 CO 0.06 0.88 0.23 1.49 -0.00 0.00 0.00 178.16 180.83 3k57 h GLU 93 N 0.98 0.50 -0.27 4.88 4.22 -0.66 0.41 114.58 124.64 3k57 h GLU 93 Ca 0.21 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.60 3k57 h GLU 93 Cb 0.35 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3k57 h GLU 93 CO 0.00 0.35 0.13 -0.22 -2.18 0.00 0.00 179.01 177.09 3k57 h LYS 94 N 0.49 0.38 -0.49 1.92 3.64 -1.14 -0.12 116.57 121.25 3k57 h LYS 94 Ca 0.13 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3k57 h LYS 94 Cb -0.03 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3k57 h LYS 94 CO -0.03 0.37 0.23 0.00 -2.27 0.00 0.00 179.45 177.75 3k57 h ARG 95 N 0.30 0.72 -0.35 1.90 3.08 -0.91 -1.64 114.38 117.49 3k57 h ARG 95 Ca 0.09 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 3k57 h ARG 95 Cb 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3k57 h ARG 95 CO -0.01 0.61 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.31 3k57 h LEU 96 N 0.65 0.70 -0.37 3.04 3.38 -0.04 -1.01 115.31 121.66 3k57 h LEU 96 Ca 0.17 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 3k57 h LEU 96 Cb 0.13 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3k57 h LEU 96 CO -0.02 0.92 0.07 -0.09 0.09 0.00 0.00 178.44 179.41 3k57 h ARG 97 N 0.47 0.62 -0.35 1.13 2.43 -0.97 0.18 114.38 117.89 3k57 h ARG 97 Ca 0.08 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 3k57 h ARG 97 Cb 0.63 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3k57 h ARG 97 CO 0.04 0.67 0.06 0.93 -1.51 0.00 0.00 179.97 180.16 3k57 h GLU 98 N 0.46 0.52 0.00 0.20 5.08 -1.33 -1.37 114.58 118.15 3k57 h GLU 98 Ca 0.11 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3k57 h GLU 98 Cb 0.35 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3k57 h GLU 98 CO 0.01 0.50 0.00 0.41 -1.00 0.00 0.00 179.01 178.92 3k57 n GLY 99 N -1.02 -0.91 1.30 -3.84 0.00 -0.38 -4.87 105.19 95.47 3k57 n GLY 99 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3k57 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k57 n GLY 100 N 0.69 0.62 3.58 -0.02 0.00 -0.51 -5.02 105.19 104.53 3k57 n GLY 100 Ca 0.15 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 3k57 n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k57 s VAL 101 N -2.00 4.28 -0.04 1.61 1.01 0.57 -5.00 120.40 120.83 3k57 s VAL 101 Ca 0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 3k57 s VAL 101 Cb 0.00 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 3k57 s VAL 101 CO 0.00 0.51 1.14 -0.89 0.00 0.00 0.00 175.10 175.86 3k57 s THR 102 N 0.10 4.38 -0.09 3.92 2.01 -1.26 -3.57 115.64 121.13 3k57 s THR 102 Ca 0.02 1.70 0.01 0.00 0.31 0.00 0.00 61.69 63.73 3k57 s THR 102 Cb -0.13 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.31 3k57 s THR 102 CO 0.02 0.04 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.18 3k57 s VAL 103 N 1.84 1.22 0.10 3.82 1.01 -1.26 -4.11 120.40 123.02 3k57 s VAL 103 Ca 0.55 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 62.09 3k57 s VAL 103 Cb -0.24 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3k57 s VAL 103 CO 0.23 0.38 0.02 -0.31 0.00 0.00 0.00 175.10 175.42 3k57 s TYR 104 N 1.01 3.00 -1.91 5.22 2.02 0.79 -4.71 117.35 122.78 3k57 s TYR 104 Ca -0.07 -0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.60 3k57 s TYR 104 Cb -0.15 -1.52 0.00 0.00 -0.40 0.00 0.00 41.96 39.89 3k57 s TYR 104 CO -0.01 0.49 0.00 0.39 -1.57 0.00 0.00 175.55 174.85 3k57 n GLU 105 N 0.41 -1.51 0.23 -0.62 1.02 -1.26 -1.12 120.64 117.78 3k57 n GLU 105 Ca -0.10 1.06 0.11 0.00 -0.02 0.00 0.00 57.16 58.21 3k57 n GLU 105 Cb 0.52 -5.49 0.47 0.00 -0.02 0.00 0.00 31.44 26.92 3k57 n GLU 105 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k57 h ALA 106 N 0.40 1.01 0.00 0.62 0.00 -1.84 -3.00 119.26 116.45 3k57 h ALA 106 Ca -0.40 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3k57 h ALA 106 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3k57 h ALA 106 CO 0.56 0.24 0.00 0.38 0.00 0.00 0.00 179.25 180.43 3k57 h ASP 107 N 0.00 0.00 -3.02 0.00 2.03 -1.93 -3.43 116.42 110.06 3k57 h ASP 107 Ca -0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 3k57 h ASP 107 Cb 0.74 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.20 3k57 h ASP 107 CO 0.03 0.00 0.99 -0.69 -1.03 0.00 0.00 179.24 178.54 3k57 s VAL 108 N -3.45 4.06 0.60 4.15 1.01 -1.13 -4.99 120.40 120.65 3k57 s VAL 108 Ca 0.03 1.21 -0.16 0.00 0.00 0.00 0.00 61.98 63.06 3k57 s VAL 108 Cb 0.09 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3k57 s VAL 108 CO 0.43 -0.38 1.08 -0.13 0.00 0.00 0.00 175.10 176.09 3k57 s ARG 109 N 4.17 3.22 0.20 2.72 1.81 -1.26 -4.80 118.95 125.00 3k57 s ARG 109 Ca 0.59 1.30 -0.13 0.00 -1.72 0.00 0.00 55.73 55.77 3k57 s ARG 109 Cb -0.19 -2.01 0.21 0.00 -0.45 0.00 0.00 34.95 32.51 3k57 s ARG 109 CO 0.23 -0.90 1.66 -1.35 -0.68 0.00 0.00 175.30 174.26 3k57 h PRO 110 N 0.48 0.06 -0.26 3.54 0.11 -1.97 0.02 132.00 133.98 3k57 h PRO 110 Ca -0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3k57 h PRO 110 Cb 1.23 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3k57 h PRO 110 CO 0.57 0.04 0.13 -1.35 -0.21 0.00 0.00 178.00 177.17 3k57 h PRO 111 N 0.06 0.37 -0.61 1.05 0.11 -1.94 -2.28 132.00 128.76 3k57 h PRO 111 Ca 0.27 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.28 3k57 h PRO 111 Cb 0.43 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.44 3k57 h PRO 111 CO -0.51 0.36 0.16 0.93 -0.21 0.00 0.00 178.00 178.73 3k57 h GLU 112 N 0.29 0.95 -0.34 1.05 3.07 -1.88 -2.35 114.58 115.37 3k57 h GLU 112 Ca 0.09 -0.20 0.02 0.00 -0.50 0.00 0.00 59.36 58.76 3k57 h GLU 112 Cb 0.11 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 3k57 h GLU 112 CO -0.01 0.84 0.20 -0.09 -1.40 0.00 0.00 179.01 178.55 3k57 h ARG 113 N 0.91 0.39 0.17 2.33 9.65 -0.74 -0.42 114.38 126.67 3k57 h ARG 113 Ca 0.20 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.05 3k57 h ARG 113 Cb 0.31 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 3k57 h ARG 113 CO -0.00 0.26 -0.08 -0.92 2.80 0.00 0.00 179.97 182.03 3k57 h TYR 114 N 0.40 -0.21 -0.15 2.20 3.20 -1.21 -2.73 116.97 118.48 3k57 h TYR 114 Ca 0.14 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3k57 h TYR 114 Cb 0.01 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 3k57 h TYR 114 CO -0.08 -0.06 0.03 -0.07 -1.64 0.00 0.00 178.16 176.34 3k57 h LEU 115 N -0.30 0.24 -0.35 2.82 3.38 -1.34 -3.14 115.31 116.62 3k57 h LEU 115 Ca -0.02 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.77 3k57 h LEU 115 Cb 0.23 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 3k57 h LEU 115 CO 0.04 0.43 -0.11 -0.03 0.09 0.00 0.00 178.44 178.85 3k57 h MET 116 N 0.04 -0.03 0.00 1.13 4.05 -1.12 -0.08 114.93 118.93 3k57 h MET 116 Ca 0.05 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 3k57 h MET 116 Cb 0.28 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 3k57 h MET 116 CO 0.00 -0.02 0.00 0.93 0.23 0.00 0.00 176.91 178.05 3k57 h GLU 117 N -0.03 0.00 -0.67 0.39 4.39 -1.54 -2.51 114.58 114.62 3k57 h GLU 117 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3k57 h GLU 117 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3k57 h GLU 117 CO -0.38 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.01 3k57 n ARG 118 N -2.73 3.40 -3.54 2.33 1.74 -0.55 -4.93 116.66 112.38 3k57 n ARG 118 Ca 0.01 -2.81 -0.25 0.00 -0.77 0.00 0.00 57.85 54.02 3k57 n ARG 118 Cb 0.23 -1.78 0.05 0.00 -1.02 0.00 0.00 32.46 29.94 3k57 n ARG 118 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3k57 n PHE 119 N 1.26 -2.45 -4.19 -1.55 3.72 -0.94 -4.49 117.46 108.83 3k57 n PHE 119 Ca 0.25 0.84 -0.35 0.00 -0.05 0.00 0.00 57.45 58.14 3k57 n PHE 119 Cb 0.80 -4.47 -0.09 0.00 -0.94 0.00 0.00 39.48 34.77 3k57 n PHE 119 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3k57 s ILE 120 N -3.25 4.58 0.00 4.37 1.01 -0.15 -4.70 121.20 123.06 3k57 s ILE 120 Ca 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 61.06 3k57 s ILE 120 Cb -0.25 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.23 3k57 s ILE 120 CO 0.66 0.55 0.00 0.35 0.00 0.00 0.00 174.94 176.50 3k57 n THR 121 N 2.75 0.00 0.00 2.92 -2.24 -1.26 -4.23 114.28 112.22 3k57 n THR 121 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3k57 n THR 121 Cb 0.53 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 3k57 n THR 121 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3k57 n SER 122 N -0.07 1.39 -4.74 3.42 7.64 -1.26 -4.91 113.62 115.10 3k57 n SER 122 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 3k57 n SER 122 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 3k57 n SER 122 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3k57 s PRO 123 N -1.99 4.42 0.12 1.43 0.02 -1.26 -1.43 135.00 136.31 3k57 s PRO 123 Ca 0.00 1.99 -0.07 0.00 0.02 0.00 0.00 61.00 62.94 3k57 s PRO 123 Cb 0.00 -3.21 -0.01 0.00 0.02 0.00 0.00 34.50 31.30 3k57 s PRO 123 CO 0.00 -0.20 0.19 0.14 -0.33 0.00 0.00 177.00 176.80 3k57 s VAL 124 N 0.09 0.11 -0.14 3.83 -7.23 0.16 -1.77 120.40 115.47 3k57 s VAL 124 Ca 0.56 -1.40 -0.02 0.00 -1.81 0.00 0.00 61.98 59.31 3k57 s VAL 124 Cb -0.35 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 3k57 s VAL 124 CO 0.37 -0.52 -0.09 0.26 -0.31 0.00 0.00 175.10 174.82 3k57 s TRP 125 N -3.93 2.91 -0.04 2.82 0.52 -0.11 0.28 118.94 121.38 3k57 s TRP 125 Ca 0.12 -0.44 0.07 0.00 0.02 0.00 0.00 56.10 55.86 3k57 s TRP 125 Cb 0.05 -1.88 -0.01 0.00 -1.15 0.00 0.00 33.47 30.47 3k57 s TRP 125 CO -0.05 -0.09 -0.24 0.54 0.02 0.00 0.00 176.95 177.13 3k57 s VAL 126 N 0.26 1.91 0.06 4.03 0.11 0.04 -1.72 120.40 125.08 3k57 s VAL 126 Ca -0.06 -1.01 0.06 0.00 -2.93 0.00 0.00 61.98 58.04 3k57 s VAL 126 Cb -0.15 -1.60 -0.03 0.00 -1.53 0.00 0.00 36.38 33.08 3k57 s VAL 126 CO 0.04 0.54 -0.16 -1.61 -3.33 0.00 0.00 175.10 170.58 3k57 s GLU 127 N -0.35 0.97 0.00 1.54 2.02 -0.09 -2.21 118.70 120.58 3k57 s GLU 127 Ca 0.03 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.11 3k57 s GLU 127 Cb -0.11 -1.03 0.00 0.00 0.10 0.00 0.00 34.13 33.08 3k57 s GLU 127 CO 0.01 0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.95 3k57 n GLY 128 N 1.55 -1.14 3.65 -1.39 0.00 -1.18 -0.32 105.19 106.37 3k57 n GLY 128 Ca -0.19 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 3k57 n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k57 s ASP 129 N -4.00 5.85 -0.13 1.61 1.01 -0.44 -2.34 116.67 118.22 3k57 s ASP 129 Ca 0.00 0.10 -0.29 0.00 0.71 0.00 0.00 52.55 53.07 3k57 s ASP 129 Cb 0.00 -2.03 -0.02 0.00 1.01 0.00 0.00 42.92 41.89 3k57 s ASP 129 CO 0.00 0.14 1.18 -0.32 0.21 0.00 0.00 175.17 176.37 3k57 s MET 130 N 0.62 4.30 -0.17 8.23 -2.45 -0.91 -1.11 119.30 127.81 3k57 s MET 130 Ca 0.05 1.59 -0.02 0.00 -1.25 0.00 0.00 55.69 56.06 3k57 s MET 130 Cb -0.12 -3.65 0.05 0.00 1.25 0.00 0.00 34.83 32.36 3k57 s MET 130 CO 0.01 -0.56 0.02 -1.58 1.05 0.00 0.00 175.02 173.96 3k57 s HIS 131 N 2.85 1.02 -1.46 4.11 2.46 0.13 -4.43 115.29 119.98 3k57 s HIS 131 Ca 0.53 -0.74 -0.06 0.00 0.47 0.00 0.00 55.06 55.25 3k57 s HIS 131 Cb -0.21 -1.01 0.05 0.00 -0.13 0.00 0.00 32.58 31.27 3k57 s HIS 131 CO 0.16 -0.56 0.69 0.09 -2.47 0.00 0.00 174.74 172.65 3k57 n ASN 132 N 5.05 -2.10 0.00 9.88 3.02 -1.26 -1.34 115.26 128.52 3k57 n ASN 132 Ca -0.09 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 3k57 n ASN 132 Cb 0.48 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 36.18 3k57 n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k57 n GLY 133 N -1.71 0.60 3.35 7.41 0.00 -1.26 -5.02 105.19 108.57 3k57 n GLY 133 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 3k57 n GLY 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k57 s THR 134 N -2.48 1.30 -0.24 2.61 -4.23 -0.45 -4.58 115.64 107.57 3k57 s THR 134 Ca 0.00 -2.08 -0.09 0.00 -1.18 0.00 0.00 61.69 58.35 3k57 s THR 134 Cb 0.00 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 3k57 s THR 134 CO 0.00 -0.39 0.11 -0.63 -0.54 0.00 0.00 174.62 173.17 3k57 s ILE 135 N -3.24 4.73 0.31 2.99 -1.09 -0.34 0.19 121.20 124.74 3k57 s ILE 135 Ca 0.27 -0.03 0.09 0.00 -2.23 0.00 0.00 60.65 58.75 3k57 s ILE 135 Cb 0.04 -3.21 -0.05 0.00 -1.58 0.00 0.00 42.46 37.66 3k57 s ILE 135 CO 0.09 0.34 0.02 0.68 -1.23 0.00 0.00 174.94 174.84 3k57 s VAL 136 N 1.38 3.05 -1.46 2.92 -7.23 -0.27 0.43 120.40 119.23 3k57 s VAL 136 Ca 0.06 -1.91 -0.07 0.00 -1.81 0.00 0.00 61.98 58.25 3k57 s VAL 136 Cb -0.15 -2.83 0.03 0.00 0.56 0.00 0.00 36.38 33.99 3k57 s VAL 136 CO 0.05 -0.28 0.64 0.59 -0.31 0.00 0.00 175.10 175.79 3k57 n ASN 137 N -0.96 -5.33 -4.82 4.85 5.03 -0.96 -1.33 115.26 111.74 3k57 n ASN 137 Ca -0.05 -0.37 -0.32 0.00 0.87 0.00 0.00 54.58 54.72 3k57 n ASN 137 Cb 0.61 -4.32 0.03 0.00 -1.02 0.00 0.00 39.78 35.08 3k57 n ASN 137 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k57 s ALA 138 N -3.12 2.76 -0.02 5.41 0.00 -0.97 -4.53 121.76 121.29 3k57 s ALA 138 Ca 0.38 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.54 3k57 s ALA 138 Cb -0.18 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.77 3k57 s ALA 138 CO 0.47 -0.96 -0.02 1.03 0.00 0.00 0.00 175.76 176.27 3k57 s ARG 139 N -4.63 0.33 0.05 0.00 0.52 0.57 -4.61 118.95 111.18 3k57 s ARG 139 Ca 0.60 -0.04 0.08 0.00 -0.52 0.00 0.00 55.73 55.85 3k57 s ARG 139 Cb -0.14 -0.40 -0.03 0.00 0.52 0.00 0.00 34.95 34.90 3k57 s ARG 139 CO 0.47 -0.02 -0.24 -0.51 0.02 0.00 0.00 175.30 175.02 3k57 s LEU 140 N 0.45 2.18 0.07 2.53 1.43 -1.26 -0.91 118.68 123.16 3k57 s LEU 140 Ca -0.04 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3k57 s LEU 140 Cb -0.07 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 3k57 s LEU 140 CO -0.01 0.20 -0.05 -1.59 0.23 0.00 0.00 176.35 175.14 3k57 s LYS 141 N -1.29 0.67 0.30 1.70 -2.85 -0.70 -4.98 119.74 112.59 3k57 s LYS 141 Ca 0.10 -1.20 -0.29 0.00 -1.00 0.00 0.00 55.97 53.58 3k57 s LYS 141 Cb -0.09 0.01 -0.11 0.00 -2.06 0.00 0.00 37.83 35.58 3k57 s LYS 141 CO 0.02 -0.06 1.50 -2.14 0.10 0.00 0.00 175.35 174.77 3k57 s PRO 142 N -3.59 4.18 -0.20 1.78 0.02 -1.26 -0.94 135.00 134.99 3k57 s PRO 142 Ca 0.06 2.47 -0.06 0.00 0.02 0.00 0.00 61.00 63.49 3k57 s PRO 142 Cb 0.05 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.49 3k57 s PRO 142 CO -0.07 -0.51 0.04 -1.58 -0.33 0.00 0.00 177.00 174.55 3k57 s HIS 143 N -0.33 3.13 0.40 6.54 2.46 -0.73 -4.66 115.29 122.10 3k57 s HIS 143 Ca 0.59 -0.20 0.11 0.00 0.47 0.00 0.00 55.06 56.02 3k57 s HIS 143 Cb -0.45 -2.10 0.92 0.00 -0.13 0.00 0.00 32.58 30.82 3k57 s HIS 143 CO 0.50 -0.08 1.96 -1.00 -2.47 0.00 0.00 174.74 173.66 3k57 h PRO 144 N 7.23 0.53 0.00 2.88 0.13 -1.95 -3.39 132.00 137.43 3k57 h PRO 144 Ca -0.36 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3k57 h PRO 144 Cb 1.18 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3k57 h PRO 144 CO 0.64 0.35 0.00 -0.40 -0.23 0.00 0.00 178.00 178.36 3k57 n ASP 145 N -4.48 0.01 -4.70 1.44 5.68 -1.26 -5.12 116.55 108.12 3k57 n ASP 145 Ca 0.11 -0.28 -0.43 0.00 -0.50 0.00 0.00 54.79 53.68 3k57 n ASP 145 Cb 0.33 0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.31 3k57 n ASP 145 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k57 n TYR 146 N -0.04 2.57 -4.38 2.11 9.36 -1.26 -5.01 117.16 120.51 3k57 n TYR 146 Ca 0.00 0.18 -0.22 0.00 3.32 0.00 0.00 57.90 61.18 3k57 n TYR 146 Cb 0.06 -2.60 -0.16 0.00 -0.63 0.00 0.00 39.34 36.00 3k57 n TYR 146 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3k57 s ARG 147 N 0.70 1.25 0.52 2.98 1.81 -1.26 -4.71 118.95 120.24 3k57 s ARG 147 Ca 0.74 -0.26 -0.07 0.00 -1.72 0.00 0.00 55.73 54.42 3k57 s ARG 147 Cb -0.57 -1.11 -0.04 0.00 -0.45 0.00 0.00 34.95 32.79 3k57 s ARG 147 CO 0.38 -0.02 0.85 -1.25 -0.68 0.00 0.00 175.30 174.58 3k57 s PRO 148 N 0.76 3.56 0.09 3.54 0.04 -1.26 -5.02 135.00 136.71 3k57 s PRO 148 Ca -0.13 0.35 -0.18 0.00 0.04 0.00 0.00 61.00 61.08 3k57 s PRO 148 Cb -0.15 -2.30 -0.07 0.00 0.04 0.00 0.00 34.50 32.02 3k57 s PRO 148 CO 0.02 -0.30 0.56 -1.25 0.04 0.00 0.00 177.00 176.08 3k57 s PRO 149 N -4.83 4.14 -0.00 0.56 0.04 -1.26 -5.06 135.00 128.58 3k57 s PRO 149 Ca 0.49 0.67 0.04 0.00 0.04 0.00 0.00 61.00 62.24 3k57 s PRO 149 Cb -0.10 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 3k57 s PRO 149 CO 0.47 0.60 -0.12 -0.51 0.04 0.00 0.00 177.00 177.48 3k57 s LEU 150 N -1.33 2.04 -0.13 -3.56 1.43 -1.26 -4.79 118.68 111.08 3k57 s LEU 150 Ca 0.31 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 3k57 s LEU 150 Cb -0.18 -0.58 -0.05 0.00 0.03 0.00 0.00 46.19 45.41 3k57 s LEU 150 CO 0.19 0.12 0.24 -0.54 0.23 0.00 0.00 176.35 176.59 3k57 s LYS 151 N -0.38 3.95 0.28 1.70 1.02 -1.26 -4.98 119.74 120.07 3k57 s LYS 151 Ca 0.04 0.03 0.10 0.00 0.02 0.00 0.00 55.97 56.16 3k57 s LYS 151 Cb -0.05 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 3k57 s LYS 151 CO -0.00 0.48 -0.01 -1.58 -0.92 0.00 0.00 175.35 173.32 3k57 s TRP 152 N -0.25 2.64 -0.05 3.18 0.51 -1.26 -0.72 118.94 122.99 3k57 s TRP 152 Ca 0.16 -0.27 -0.02 0.00 -2.12 0.00 0.00 56.10 53.85 3k57 s TRP 152 Cb -0.13 -1.24 0.03 0.00 -0.81 0.00 0.00 33.47 31.32 3k57 s TRP 152 CO 0.05 0.59 0.05 0.54 -0.51 0.00 0.00 176.95 177.66 3k57 s VAL 153 N -2.37 0.01 -0.33 4.03 0.11 -0.16 -2.42 120.40 119.26 3k57 s VAL 153 Ca 0.32 0.35 -0.15 0.00 -2.93 0.00 0.00 61.98 59.57 3k57 s VAL 153 Cb -0.05 -0.25 -0.02 0.00 -1.53 0.00 0.00 36.38 34.53 3k57 s VAL 153 CO 0.20 0.20 0.35 -0.55 -3.33 0.00 0.00 175.10 171.96 3k57 s SER 154 N 2.12 6.17 -0.06 3.54 0.15 0.90 -0.68 113.70 125.85 3k57 s SER 154 Ca 0.05 -0.18 -0.00 0.00 0.70 0.00 0.00 55.95 56.52 3k57 s SER 154 Cb -0.12 -2.19 -0.03 0.00 -1.71 0.00 0.00 66.02 61.96 3k57 s SER 154 CO -0.04 -0.31 -0.03 -0.51 1.20 0.00 0.00 173.24 173.56 3k57 s ILE 155 N 2.00 4.05 -0.12 6.45 2.07 -0.66 -1.23 121.20 133.77 3k57 s ILE 155 Ca 0.12 -0.40 -0.06 0.00 -1.41 0.00 0.00 60.65 58.89 3k57 s ILE 155 Cb -0.16 -2.71 0.05 0.00 0.13 0.00 0.00 42.46 39.77 3k57 s ILE 155 CO 0.11 0.56 0.27 -0.62 -1.91 0.00 0.00 174.94 173.36 3k57 s ASP 156 N -0.99 -0.28 0.17 4.50 2.15 -0.31 -4.67 116.67 117.25 3k57 s ASP 156 Ca 0.14 0.59 0.07 0.00 0.43 0.00 0.00 52.55 53.78 3k57 s ASP 156 Cb -0.11 0.48 -0.04 0.00 -0.30 0.00 0.00 42.92 42.95 3k57 s ASP 156 CO 0.03 -0.17 0.00 0.27 -0.17 0.00 0.00 175.17 175.13 3k57 s ILE 157 N 1.34 3.75 -0.04 4.11 -4.36 -1.26 0.20 121.20 124.93 3k57 s ILE 157 Ca -0.09 -1.40 0.04 0.00 -0.26 0.00 0.00 60.65 58.94 3k57 s ILE 157 Cb -0.10 -2.88 -0.00 0.00 1.25 0.00 0.00 42.46 40.72 3k57 s ILE 157 CO -0.09 -0.10 -0.17 -1.61 0.24 0.00 0.00 174.94 173.20 3k57 s GLU 158 N -2.92 1.75 0.34 0.37 0.41 -0.67 -4.99 118.70 112.99 3k57 s GLU 158 Ca 0.27 -0.61 0.05 0.00 -0.41 0.00 0.00 54.97 54.28 3k57 s GLU 158 Cb -0.09 -1.54 -0.03 0.00 -1.78 0.00 0.00 34.13 30.69 3k57 s GLU 158 CO 0.19 0.25 0.21 0.95 -0.49 0.00 0.00 175.26 176.36 3k57 s THR 159 N 0.01 0.23 0.87 3.63 -4.23 -1.26 -0.68 115.64 114.20 3k57 s THR 159 Ca -0.03 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.35 3k57 s THR 159 Cb -0.11 -2.45 0.12 0.00 1.34 0.00 0.00 72.50 71.40 3k57 s THR 159 CO 0.02 0.00 1.20 0.42 -0.54 0.00 0.00 174.62 175.71 3k57 s THR 160 N -3.44 1.99 -0.71 3.99 -4.23 0.24 -4.85 115.64 108.63 3k57 s THR 160 Ca 0.35 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.99 3k57 s THR 160 Cb 0.03 -2.94 0.13 0.00 1.34 0.00 0.00 72.50 71.07 3k57 s THR 160 CO 0.21 0.00 1.42 -2.11 -0.54 0.00 0.00 174.62 173.60 3k57 n ARG 161 N -3.53 0.07 -0.34 3.99 1.85 -1.26 -0.98 116.66 116.47 3k57 n ARG 161 Ca 0.09 0.45 0.08 0.00 -1.00 0.00 0.00 57.85 57.47 3k57 n ARG 161 Cb 0.60 -1.68 0.24 0.00 -1.05 0.00 0.00 32.46 30.57 3k57 n ARG 161 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3k57 n HIS 162 N -1.83 0.84 -0.32 2.89 8.25 -1.26 -4.97 115.22 118.81 3k57 n HIS 162 Ca 0.01 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 56.90 3k57 n HIS 162 Cb 0.10 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3k57 n HIS 162 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k57 n GLY 163 N 0.75 0.89 3.74 -1.41 0.00 -0.15 -5.05 105.19 103.96 3k57 n GLY 163 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3k57 n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k57 s GLU 164 N -0.56 4.60 0.23 1.61 2.02 -1.26 -4.70 118.70 120.64 3k57 s GLU 164 Ca 0.00 1.70 -0.32 0.00 0.02 0.00 0.00 54.97 56.37 3k57 s GLU 164 Cb 0.00 -3.29 -0.12 0.00 0.10 0.00 0.00 34.13 30.82 3k57 s GLU 164 CO 0.00 0.07 1.64 1.28 0.02 0.00 0.00 175.26 178.28 3k57 n LEU 165 N 2.46 3.91 -0.09 1.80 4.77 -1.26 -0.59 117.00 128.00 3k57 n LEU 165 Ca 0.03 1.10 -0.17 0.00 -0.03 0.00 0.00 56.01 56.93 3k57 n LEU 165 Cb 0.46 -1.55 -0.07 0.00 -2.33 0.00 0.00 43.42 39.94 3k57 n LEU 165 CO 0.54 0.06 -1.09 -1.22 -1.33 0.00 0.00 177.39 174.34 3k57 n TYR 166 N 3.20 0.00 -3.66 -1.77 4.01 0.14 -4.86 117.16 114.21 3k57 n TYR 166 Ca 0.14 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.78 3k57 n TYR 166 Cb 0.34 -0.64 -0.03 0.00 -0.31 0.00 0.00 39.34 38.71 3k57 n TYR 166 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k57 s ILE 168 N -3.84 1.30 -0.19 0.00 1.01 0.02 -1.67 121.20 117.83 3k57 s ILE 168 Ca 0.07 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.15 3k57 s ILE 168 Cb -0.02 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 3k57 s ILE 168 CO -0.04 0.41 0.03 -0.83 0.00 0.00 0.00 174.94 174.51 3k57 s GLY 169 N 1.20 1.81 -0.06 6.18 0.00 0.13 -0.86 107.32 115.71 3k57 s GLY 169 Ca -0.03 -0.86 0.06 0.00 0.00 0.00 0.00 44.72 43.88 3k57 s GLY 169 CO -0.04 0.13 -0.24 1.08 0.00 0.00 0.00 173.10 174.03 3k57 s LEU 170 N 0.67 2.06 -0.12 0.66 1.43 0.21 -1.17 118.68 122.41 3k57 s LEU 170 Ca 0.01 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.57 3k57 s LEU 170 Cb -0.14 -1.35 0.05 0.00 0.03 0.00 0.00 46.19 44.78 3k57 s LEU 170 CO 0.02 0.23 0.07 -0.70 0.23 0.00 0.00 176.35 176.20 3k57 s GLU 171 N -0.07 0.09 0.00 1.70 2.12 -0.37 -1.55 118.70 120.61 3k57 s GLU 171 Ca -0.06 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.33 3k57 s GLU 171 Cb -0.14 -1.35 0.00 0.00 0.26 0.00 0.00 34.13 32.90 3k57 s GLU 171 CO 0.04 -0.53 0.00 0.41 -0.54 0.00 0.00 175.26 174.64 3k57 n GLY 172 N 5.26 1.01 3.00 -1.50 0.00 0.02 -0.07 105.19 112.92 3k57 n GLY 172 Ca -0.06 -1.60 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 3k57 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k57 n GLY 174 N -1.25 0.52 3.40 0.00 0.00 -1.26 -5.03 105.19 101.56 3k57 n GLY 174 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 3k57 n GLY 174 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k57 s GLN 175 N -0.12 1.62 -0.24 1.61 -1.52 0.73 -5.09 119.66 116.63 3k57 s GLN 175 Ca 0.00 -1.23 -0.01 0.00 -1.95 0.00 0.00 55.36 52.16 3k57 s GLN 175 Cb 0.00 -1.97 0.07 0.00 -0.22 0.00 0.00 33.01 30.89 3k57 s GLN 175 CO 0.00 0.48 0.04 1.03 -0.25 0.00 0.00 175.29 176.59 3k57 s ARG 176 N -1.79 0.88 -0.00 2.91 0.52 -1.26 -0.80 118.95 119.41 3k57 s ARG 176 Ca 0.14 -0.77 -0.09 0.00 -0.52 0.00 0.00 55.73 54.49 3k57 s ARG 176 Cb -0.10 -2.18 0.01 0.00 0.52 0.00 0.00 34.95 33.19 3k57 s ARG 176 CO 0.05 -0.75 0.17 -1.50 0.02 0.00 0.00 175.30 173.29 3k57 s ILE 177 N 1.67 0.07 -0.09 1.52 2.07 -0.60 -1.89 121.20 123.96 3k57 s ILE 177 Ca 0.02 -0.62 0.01 0.00 -1.41 0.00 0.00 60.65 58.65 3k57 s ILE 177 Cb -0.18 -0.46 0.02 0.00 0.13 0.00 0.00 42.46 41.98 3k57 s ILE 177 CO -0.13 -0.34 -0.10 -0.69 -1.91 0.00 0.00 174.94 171.77 3k57 s VAL 178 N -1.30 1.08 -0.28 4.00 1.01 -0.09 -0.62 120.40 124.20 3k57 s VAL 178 Ca -0.14 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 3k57 s VAL 178 Cb -0.07 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 3k57 s VAL 178 CO 0.02 0.36 0.23 -0.31 0.00 0.00 0.00 175.10 175.40 3k57 s TYR 179 N 1.25 3.22 0.00 5.22 2.02 -0.04 -0.87 117.35 128.16 3k57 s TYR 179 Ca -0.03 0.16 0.08 0.00 -0.37 0.00 0.00 57.07 56.91 3k57 s TYR 179 Cb -0.14 -2.42 -0.02 0.00 -0.40 0.00 0.00 41.96 38.98 3k57 s TYR 179 CO -0.03 -0.18 -0.26 1.41 -1.57 0.00 0.00 175.55 174.91 3k57 s MET 180 N 1.82 1.99 0.18 -0.62 -2.45 0.06 -0.80 119.30 119.48 3k57 s MET 180 Ca 0.08 -0.99 -0.30 0.00 -1.25 0.00 0.00 55.69 53.23 3k57 s MET 180 Cb -0.16 -2.01 -0.09 0.00 1.25 0.00 0.00 34.83 33.82 3k57 s MET 180 CO 0.11 0.54 1.38 -1.17 1.05 0.00 0.00 175.02 176.93 3k57 s LEU 181 N -0.83 4.39 0.95 4.11 2.96 -0.24 -1.33 118.68 128.70 3k57 s LEU 181 Ca 0.11 2.45 -0.14 0.00 -0.22 0.00 0.00 54.13 56.33 3k57 s LEU 181 Cb -0.10 -3.60 0.16 0.00 0.50 0.00 0.00 46.19 43.15 3k57 s LEU 181 CO 0.00 -0.62 1.16 -0.83 -1.32 0.00 0.00 176.35 174.74 3k57 s GLY 182 N 0.62 1.61 0.63 7.98 0.00 0.23 -4.81 107.32 113.57 3k57 s GLY 182 Ca 0.60 -0.69 -0.00 0.00 0.00 0.00 0.00 44.72 44.63 3k57 s GLY 182 CO 0.36 -0.06 0.88 2.56 0.00 0.00 0.00 173.10 176.85 3k57 s PRO 183 N -5.40 2.19 0.59 2.90 0.04 -1.26 -4.96 135.00 129.09 3k57 s PRO 183 Ca 0.66 -0.85 -0.19 0.00 0.04 0.00 0.00 61.00 60.66 3k57 s PRO 183 Cb -0.12 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 3k57 s PRO 183 CO 0.53 -1.04 1.24 -1.83 0.04 0.00 0.00 177.00 175.94 3k57 s GLU 184 N -4.95 2.97 0.31 4.56 -1.05 -1.26 -5.03 118.70 114.25 3k57 s GLU 184 Ca 0.61 1.91 -0.20 0.00 -0.15 0.00 0.00 54.97 57.15 3k57 s GLU 184 Cb -0.09 -1.98 0.03 0.00 -0.44 0.00 0.00 34.13 31.65 3k57 s GLU 184 CO 0.41 -1.23 0.74 0.54 0.95 0.00 0.00 175.26 176.68 3k57 s ASN 185 N -1.47 -0.18 0.68 0.83 2.20 -1.26 -5.10 114.94 110.64 3k57 s ASN 185 Ca 0.77 -0.76 0.00 0.00 -0.94 0.00 0.00 52.86 51.93 3k57 s ASN 185 Cb -0.33 0.76 0.00 0.00 -2.00 0.00 0.00 41.25 39.68 3k57 s ASN 185 CO 0.36 -1.44 0.00 0.61 -2.94 0.00 0.00 177.10 173.69 3k57 n GLY 186 N -0.48 -0.44 3.02 0.45 0.00 -1.22 -4.35 105.19 102.16 3k57 n GLY 186 Ca -0.05 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 3k57 n GLY 186 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k57 s ASP 187 N -4.00 3.49 -0.03 1.61 2.15 -1.26 -5.00 116.67 113.63 3k57 s ASP 187 Ca 0.00 -0.92 0.20 0.00 0.43 0.00 0.00 52.55 52.26 3k57 s ASP 187 Cb 0.00 -1.30 0.63 0.00 -0.30 0.00 0.00 42.92 41.94 3k57 s ASP 187 CO 0.00 -0.13 1.53 0.00 -0.17 0.00 0.00 175.17 176.40 3k57 n ALA 188 N 4.64 2.53 0.09 3.66 0.00 -1.26 -4.52 120.51 125.65 3k57 n ALA 188 Ca -0.15 -1.37 -0.03 0.00 0.00 0.00 0.00 53.44 51.89 3k57 n ALA 188 Cb 0.46 -0.89 0.20 0.00 0.00 0.00 0.00 19.45 19.23 3k57 n ALA 188 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k57 h SER 189 N 3.96 0.26 -0.04 0.00 4.64 -2.01 -3.17 113.55 117.18 3k57 h SER 189 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3k57 h SER 189 Cb 1.08 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3k57 h SER 189 CO 0.06 0.68 0.00 -1.20 -0.87 0.00 0.00 176.83 175.50 3k57 n SER 190 N -3.99 0.93 -4.73 4.97 7.64 -1.26 -4.94 113.62 112.23 3k57 n SER 190 Ca -0.02 -1.41 -0.41 0.00 1.01 0.00 0.00 58.87 58.05 3k57 n SER 190 Cb 0.51 -0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.65 3k57 n SER 190 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k57 s LEU 191 N -1.84 4.45 -0.33 -3.43 1.43 -1.20 -4.95 118.68 112.81 3k57 s LEU 191 Ca 0.38 2.14 0.06 0.00 -1.03 0.00 0.00 54.13 55.69 3k57 s LEU 191 Cb 0.19 -3.60 0.62 0.00 0.03 0.00 0.00 46.19 43.44 3k57 s LEU 191 CO 0.31 -0.32 1.73 -0.90 0.23 0.00 0.00 176.35 177.40 3k57 n ASP 192 N 2.64 4.13 -3.98 2.29 5.75 -1.26 -4.91 116.55 121.21 3k57 n ASP 192 Ca 0.04 -3.21 -0.09 0.00 -0.01 0.00 0.00 54.79 51.52 3k57 n ASP 192 Cb 0.45 -0.75 -0.05 0.00 -1.03 0.00 0.00 41.12 39.74 3k57 n ASP 192 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3k57 s PHE 193 N -2.76 0.36 -0.14 2.11 -0.12 -1.26 -5.04 117.98 111.12 3k57 s PHE 193 Ca 0.49 -0.71 -0.25 0.00 -0.05 0.00 0.00 56.93 56.41 3k57 s PHE 193 Cb 0.40 0.16 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 3k57 s PHE 193 CO 0.11 -0.96 0.80 -1.21 -0.05 0.00 0.00 175.22 173.91 3k57 s GLU 194 N -4.01 4.33 -0.23 1.99 2.02 -0.79 -5.00 118.70 117.01 3k57 s GLU 194 Ca 0.22 0.98 -0.04 0.00 0.02 0.00 0.00 54.97 56.15 3k57 s GLU 194 Cb -0.00 -3.55 -0.00 0.00 0.10 0.00 0.00 34.13 30.68 3k57 s GLU 194 CO 0.08 -0.24 -0.03 -1.17 0.02 0.00 0.00 175.26 173.92 3k57 s LEU 195 N 1.83 3.05 -0.15 1.80 2.96 -1.26 -0.91 118.68 126.00 3k57 s LEU 195 Ca 0.38 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 3k57 s LEU 195 Cb -0.17 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.79 3k57 s LEU 195 CO 0.14 -0.05 -0.16 -0.70 -1.32 0.00 0.00 176.35 174.25 3k57 s GLU 196 N 1.46 2.49 0.38 1.98 2.12 -0.05 -4.99 118.70 122.10 3k57 s GLU 196 Ca 0.05 -0.64 -0.05 0.00 0.36 0.00 0.00 54.97 54.68 3k57 s GLU 196 Cb -0.15 -2.20 -0.05 0.00 0.26 0.00 0.00 34.13 32.00 3k57 s GLU 196 CO -0.03 -0.18 0.67 0.71 -0.54 0.00 0.00 175.26 175.89 3k57 s TYR 197 N 1.30 3.50 0.02 5.30 2.02 -1.26 -0.76 117.35 127.47 3k57 s TYR 197 Ca 0.02 0.74 -0.02 0.00 -0.37 0.00 0.00 57.07 57.44 3k57 s TYR 197 Cb -0.13 -2.20 -0.01 0.00 -0.40 0.00 0.00 41.96 39.21 3k57 s TYR 197 CO -0.09 -0.02 0.01 0.14 -1.57 0.00 0.00 175.55 174.02 3k57 s VAL 198 N -2.36 0.10 0.19 0.71 -7.23 -0.44 -4.87 120.40 106.50 3k57 s VAL 198 Ca 0.46 -0.83 -0.07 0.00 -1.81 0.00 0.00 61.98 59.73 3k57 s VAL 198 Cb -0.10 -0.29 0.04 0.00 0.56 0.00 0.00 36.38 36.59 3k57 s VAL 198 CO 0.35 -0.46 1.62 0.00 -0.31 0.00 0.00 175.10 176.30 3k57 h ALA 199 N 4.62 0.83 -2.24 1.32 0.00 -1.93 0.65 119.26 122.50 3k57 h ALA 199 Ca -0.31 -0.36 -0.27 0.00 0.00 0.00 0.00 54.91 53.97 3k57 h ALA 199 Cb 1.21 -0.18 -0.15 0.00 0.00 0.00 0.00 17.79 18.67 3k57 h ALA 199 CO 0.41 0.65 -0.69 -1.54 0.00 0.00 0.00 179.25 178.08 3k57 s SER 200 N -6.69 1.36 0.18 0.00 1.04 -1.26 -4.54 113.70 103.78 3k57 s SER 200 Ca -0.11 -1.06 -0.13 0.00 0.48 0.00 0.00 55.95 55.13 3k57 s SER 200 Cb 0.13 0.07 0.09 0.00 0.10 0.00 0.00 66.02 66.41 3k57 s SER 200 CO 0.85 -0.46 1.84 0.03 0.98 0.00 0.00 173.24 176.48 3k57 h ARG 201 N 2.82 0.70 -0.01 4.02 3.08 -1.94 -2.26 114.38 120.79 3k57 h ARG 201 Ca -0.36 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3k57 h ARG 201 Cb 1.18 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.08 3k57 h ARG 201 CO 0.64 0.46 0.02 -1.35 -1.07 0.00 0.00 179.97 178.67 3k57 h PRO 202 N 0.72 0.00 0.00 0.04 0.11 -1.97 0.11 132.00 131.00 3k57 h PRO 202 Ca 0.21 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.25 3k57 h PRO 202 Cb -0.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3k57 h PRO 202 CO -0.06 0.00 -0.34 1.96 -0.21 0.00 0.00 178.00 179.35 3k57 h GLN 203 N 0.00 0.00 -0.69 1.05 4.20 -1.83 -2.77 115.11 115.07 3k57 h GLN 203 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3k57 h GLN 203 Cb 0.04 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3k57 h GLN 203 CO -0.00 0.34 0.26 -0.07 -0.67 0.00 0.00 178.83 178.69 3k57 h LEU 204 N 0.00 0.94 -0.59 1.46 3.38 -0.81 0.26 115.31 119.95 3k57 h LEU 204 Ca -0.00 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 3k57 h LEU 204 Cb 0.81 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3k57 h LEU 204 CO 0.04 0.85 -0.46 -0.07 0.09 0.00 0.00 178.44 178.89 3k57 h LEU 205 N 1.00 0.63 -0.59 1.67 3.38 -1.55 -0.52 115.31 119.33 3k57 h LEU 205 Ca 0.23 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3k57 h LEU 205 Cb 0.21 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3k57 h LEU 205 CO -0.02 1.00 0.11 -0.33 0.09 0.00 0.00 178.44 179.29 3k57 h GLU 206 N 0.47 0.97 -0.49 1.13 5.08 -1.13 0.16 114.58 120.78 3k57 h GLU 206 Ca 0.03 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 3k57 h GLU 206 Cb 0.99 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 3k57 h GLU 206 CO 0.09 0.92 0.15 0.87 -1.00 0.00 0.00 179.01 180.04 3k57 h LYS 207 N 0.88 0.76 -0.51 2.33 1.79 -0.84 -0.75 116.57 120.23 3k57 h LYS 207 Ca 0.18 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3k57 h LYS 207 Cb 0.41 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 3k57 h LYS 207 CO 0.01 0.72 0.34 1.25 -1.08 0.00 0.00 179.45 180.68 3k57 h LEU 208 N 0.66 0.58 -0.15 2.94 5.85 -0.68 -0.87 115.31 123.64 3k57 h LEU 208 Ca 0.16 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3k57 h LEU 208 Cb 0.28 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3k57 h LEU 208 CO -0.00 0.42 0.02 0.78 -0.34 0.00 0.00 178.44 179.32 3k57 h ASN 209 N 0.69 -0.01 -0.88 1.25 2.35 -0.39 -2.06 115.58 116.53 3k57 h ASN 209 Ca 0.19 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 3k57 h ASN 209 Cb -0.08 0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 3k57 h ASN 209 CO -0.04 0.02 0.52 0.00 -1.65 0.00 0.00 177.43 176.28 3k57 h ALA 210 N 1.11 1.26 -0.36 -0.83 0.00 -0.79 -1.96 119.26 117.70 3k57 h ALA 210 Ca 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3k57 h ALA 210 Cb 0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3k57 h ALA 210 CO -0.10 0.63 0.12 2.35 0.00 0.00 0.00 179.25 182.25 3k57 h TRP 211 N 1.21 0.56 -0.64 0.00 7.01 -0.79 -1.27 115.95 122.03 3k57 h TRP 211 Ca 0.31 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.25 3k57 h TRP 211 Cb -0.04 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.83 3k57 h TRP 211 CO 0.01 0.54 0.35 0.74 -2.79 0.00 0.00 178.44 177.28 3k57 h PHE 212 N 0.43 0.88 -0.43 2.65 0.04 -1.12 0.21 116.94 119.60 3k57 h PHE 212 Ca 0.12 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.87 3k57 h PHE 212 Cb 0.23 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 3k57 h PHE 212 CO 0.00 0.63 0.28 0.00 -0.60 0.00 0.00 178.31 178.62 3k57 h ALA 213 N 1.17 0.55 -0.01 2.45 0.00 -1.07 0.11 119.26 122.45 3k57 h ALA 213 Ca 0.23 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3k57 h ALA 213 Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3k57 h ALA 213 CO -0.04 0.02 -0.25 -0.91 0.00 0.00 0.00 179.25 178.07 3k57 h ASN 214 N 0.58 0.23 1.61 0.00 2.35 -1.04 -3.37 115.58 115.94 3k57 h ASN 214 Ca 0.16 -0.76 -0.03 0.00 -0.55 0.00 0.00 56.30 55.12 3k57 h ASN 214 Cb -0.04 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 3k57 h ASN 214 CO -0.03 0.96 -0.39 1.88 -1.65 0.00 0.00 177.43 178.19 3k57 h TYR 215 N -0.48 0.00 -6.55 1.19 0.05 -0.59 -3.49 116.97 107.10 3k57 h TYR 215 Ca -0.03 0.00 -0.47 0.00 0.05 0.00 0.00 58.73 58.28 3k57 h TYR 215 Cb 0.99 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.75 3k57 h TYR 215 CO 0.18 0.12 -0.93 -3.47 -1.05 0.00 0.00 178.16 173.01 3k57 n ASP 216 N -3.02 -5.02 -4.79 3.88 2.03 0.37 -4.95 116.55 105.06 3k57 n ASP 216 Ca 0.02 -1.02 -0.35 0.00 0.52 0.00 0.00 54.79 53.97 3k57 n ASP 216 Cb 0.59 -2.46 -0.04 0.00 -0.72 0.00 0.00 41.12 38.49 3k57 n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3k57 s PRO 217 N -5.89 3.87 0.03 -0.67 0.04 -1.26 -4.96 135.00 126.16 3k57 s PRO 217 Ca 0.30 1.40 -0.06 0.00 0.04 0.00 0.00 61.00 62.68 3k57 s PRO 217 Cb -0.14 -2.19 -0.29 0.00 0.04 0.00 0.00 34.50 31.92 3k57 s PRO 217 CO 0.90 -0.38 0.97 -0.44 0.04 0.00 0.00 177.00 178.09 3k57 h ASP 218 N 1.75 0.49 -4.28 6.66 3.32 -1.26 -3.46 116.42 119.64 3k57 h ASP 218 Ca -0.49 -0.60 -0.61 0.00 0.02 0.00 0.00 57.03 55.35 3k57 h ASP 218 Cb 1.22 -0.16 -0.30 0.00 0.22 0.00 0.00 39.33 40.31 3k57 h ASP 218 CO 0.60 1.48 -0.86 -0.69 -1.72 0.00 0.00 179.24 178.05 3k57 s VAL 219 N -2.63 1.66 -0.21 -1.35 1.01 -0.57 -0.86 120.40 117.45 3k57 s VAL 219 Ca -0.08 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 3k57 s VAL 219 Cb 0.06 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 3k57 s VAL 219 CO 0.88 0.47 -0.03 -0.63 0.00 0.00 0.00 175.10 175.79 3k57 s ILE 220 N -0.35 3.51 0.17 2.22 1.01 0.39 -0.99 121.20 127.17 3k57 s ILE 220 Ca 0.04 -0.45 0.09 0.00 0.00 0.00 0.00 60.65 60.33 3k57 s ILE 220 Cb -0.09 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 3k57 s ILE 220 CO 0.00 0.42 -0.19 0.27 0.00 0.00 0.00 174.94 175.45 3k57 s ILE 221 N 1.34 1.92 0.02 2.92 -4.36 0.15 -0.44 121.20 122.74 3k57 s ILE 221 Ca 0.04 -1.96 -0.06 0.00 -0.26 0.00 0.00 60.65 58.41 3k57 s ILE 221 Cb -0.14 -1.90 0.02 0.00 1.25 0.00 0.00 42.46 41.68 3k57 s ILE 221 CO -0.01 -0.29 0.30 0.61 0.24 0.00 0.00 174.94 175.78 3k57 n GLY 222 N 0.24 0.77 3.15 6.27 0.00 -1.04 -1.65 105.19 112.94 3k57 n GLY 222 Ca -0.13 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 3k57 n GLY 222 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3k57 s TRP 223 N -3.70 3.19 -1.43 1.61 -0.11 -1.26 -0.56 118.94 116.68 3k57 s TRP 223 Ca 0.07 -1.92 -0.11 0.00 1.22 0.00 0.00 56.10 55.36 3k57 s TRP 223 Cb -0.00 -2.03 0.04 0.00 -1.50 0.00 0.00 33.47 29.97 3k57 s TRP 223 CO 0.00 -0.81 1.10 -1.71 -4.62 0.00 0.00 176.95 170.92 3k57 n ASN 224 N 4.58 -5.73 -0.09 5.86 2.85 -1.26 -4.85 115.26 116.62 3k57 n ASN 224 Ca -0.15 -0.64 0.05 0.00 -0.11 0.00 0.00 54.58 53.73 3k57 n ASN 224 Cb 0.44 -4.56 0.39 0.00 1.24 0.00 0.00 39.78 37.29 3k57 n ASN 224 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 3k57 h VAL 225 N -2.46 1.08 0.01 3.44 3.04 -1.90 -1.19 116.25 118.27 3k57 h VAL 225 Ca -0.57 -0.23 -0.00 0.00 -1.01 0.00 0.00 66.70 64.89 3k57 h VAL 225 Cb 1.37 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 3k57 h VAL 225 CO 0.61 0.12 -0.00 0.58 -1.01 0.00 0.00 177.57 177.86 3k57 h VAL 226 N 0.66 0.79 0.00 1.51 2.07 -1.95 0.32 116.25 119.65 3k57 h VAL 226 Ca 0.22 -1.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.11 3k57 h VAL 226 Cb 0.07 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3k57 h VAL 226 CO -0.06 0.27 -0.30 1.56 0.02 0.00 0.00 177.57 179.06 3k57 h GLN 227 N -1.00 0.00 0.00 1.57 1.08 -1.93 -2.47 115.11 112.36 3k57 h GLN 227 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3k57 h GLN 227 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 3k57 h GLN 227 CO 0.00 0.30 0.00 0.34 -0.95 0.00 0.00 178.83 178.52 3k57 n PHE 228 N -4.03 0.00 0.23 2.96 7.35 -0.45 -4.56 117.46 118.96 3k57 n PHE 228 Ca -0.02 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.51 3k57 n PHE 228 Cb 0.36 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.11 3k57 n PHE 228 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3k57 h ASP 229 N 0.00 -1.13 -0.17 -2.13 3.32 -1.63 0.10 116.42 114.79 3k57 h ASP 229 Ca 0.00 0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 3k57 h ASP 229 Cb 0.00 0.38 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3k57 h ASP 229 CO 0.00 -0.55 -0.24 -0.07 -1.72 0.00 0.00 179.24 176.67 3k57 h LEU 230 N -0.81 0.63 -0.42 1.55 3.38 -1.04 -1.12 115.31 117.49 3k57 h LEU 230 Ca -0.03 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3k57 h LEU 230 Cb 0.73 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3k57 h LEU 230 CO -0.09 0.86 0.11 -0.09 0.09 0.00 0.00 178.44 179.32 3k57 h ARG 231 N 0.55 0.67 -0.61 1.13 2.43 -1.35 0.49 114.38 117.68 3k57 h ARG 231 Ca 0.08 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 3k57 h ARG 231 Cb 0.70 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 3k57 h ARG 231 CO 0.05 0.68 0.01 0.52 -1.51 0.00 0.00 179.97 179.72 3k57 h MET 232 N 0.54 1.08 -0.61 0.20 2.86 -0.80 -1.01 114.93 117.19 3k57 h MET 232 Ca 0.13 -0.33 -0.07 0.00 -2.06 0.00 0.00 59.70 57.37 3k57 h MET 232 Cb 0.30 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 3k57 h MET 232 CO -0.00 1.04 0.11 -0.07 1.06 0.00 0.00 176.91 179.05 3k57 h LEU 233 N 0.98 0.96 -0.67 1.22 3.38 -1.01 -1.00 115.31 119.16 3k57 h LEU 233 Ca 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3k57 h LEU 233 Cb 0.55 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3k57 h LEU 233 CO 0.03 0.96 0.35 -0.61 0.09 0.00 0.00 178.44 179.27 3k57 h GLN 234 N 0.91 0.94 -0.78 1.13 5.75 -0.68 0.66 115.11 123.04 3k57 h GLN 234 Ca 0.19 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.54 3k57 h GLN 234 Cb 0.41 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 3k57 h GLN 234 CO 0.01 0.72 0.38 0.87 -2.65 0.00 0.00 178.83 178.16 3k57 h LYS 235 N 0.92 1.12 -0.62 1.69 1.57 -0.77 -0.97 116.57 119.50 3k57 h LYS 235 Ca 0.23 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3k57 h LYS 235 Cb 0.06 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 3k57 h LYS 235 CO -0.04 0.86 0.25 0.45 -0.57 0.00 0.00 179.45 180.41 3k57 h HIS 236 N 1.10 0.95 -0.93 -1.35 3.86 -0.62 -1.11 115.15 117.04 3k57 h HIS 236 Ca 0.27 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 3k57 h HIS 236 Cb 0.11 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 28.25 3k57 h HIS 236 CO 0.01 0.75 0.57 0.00 0.86 0.00 0.00 177.93 180.12 3k57 h ALA 237 N 1.10 1.18 -0.39 2.45 0.00 -0.32 0.85 119.26 124.12 3k57 h ALA 237 Ca 0.21 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3k57 h ALA 237 Cb 0.21 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3k57 h ALA 237 CO -0.02 0.63 0.02 0.93 0.00 0.00 0.00 179.25 180.81 3k57 h GLU 238 N 1.28 0.68 -0.49 0.00 5.08 -0.93 -0.47 114.58 119.72 3k57 h GLU 238 Ca 0.33 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3k57 h GLU 238 Cb -0.07 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3k57 h GLU 238 CO -0.06 0.76 0.00 0.00 -1.00 0.00 0.00 179.01 178.71 3k57 h ARG 239 N 0.51 0.81 -0.03 2.33 3.08 -0.62 -2.89 114.38 117.57 3k57 h ARG 239 Ca 0.11 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3k57 h ARG 239 Cb 0.44 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3k57 h ARG 239 CO 0.02 0.81 0.00 0.66 -1.07 0.00 0.00 179.97 180.39 3k57 n TYR 240 N -4.21 0.02 -3.50 3.04 4.01 0.24 -4.95 117.16 111.81 3k57 n TYR 240 Ca 0.03 -0.01 -0.25 0.00 -0.16 0.00 0.00 57.90 57.51 3k57 n TYR 240 Cb 0.30 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.38 3k57 n TYR 240 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3k57 n ARG 241 N 0.25 -6.18 -4.30 -0.72 3.00 -0.41 -4.99 116.66 103.31 3k57 n ARG 241 Ca 0.19 0.77 -0.19 0.00 -0.01 0.00 0.00 57.85 58.61 3k57 n ARG 241 Cb 0.37 -5.70 -0.13 0.00 0.00 0.00 0.00 32.46 26.99 3k57 n ARG 241 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 3k57 s LEU 242 N -7.07 2.15 0.23 0.55 0.05 -0.32 -5.04 118.68 109.23 3k57 s LEU 242 Ca 0.52 -0.41 -0.31 0.00 0.05 0.00 0.00 54.13 53.98 3k57 s LEU 242 Cb -0.24 -0.50 -0.10 0.00 -2.05 0.00 0.00 46.19 43.30 3k57 s LEU 242 CO 0.64 0.01 1.54 -2.84 -0.55 0.00 0.00 176.35 175.14 3k57 s PRO 243 N -1.00 4.21 -0.91 1.48 0.02 -1.26 -4.53 135.00 133.00 3k57 s PRO 243 Ca 0.00 2.40 -0.14 0.00 0.02 0.00 0.00 61.00 63.29 3k57 s PRO 243 Cb -0.07 -3.10 0.22 0.00 0.02 0.00 0.00 34.50 31.57 3k57 s PRO 243 CO 0.01 -0.55 0.91 -1.17 -0.33 0.00 0.00 177.00 175.86 3k57 s LEU 244 N 0.21 6.43 -1.35 -5.54 2.96 -1.26 -4.97 118.68 115.17 3k57 s LEU 244 Ca 0.65 -2.82 -0.12 0.00 -0.22 0.00 0.00 54.13 51.61 3k57 s LEU 244 Cb -0.44 -2.24 0.11 0.00 0.50 0.00 0.00 46.19 44.12 3k57 s LEU 244 CO 0.39 -0.57 1.97 0.54 -1.32 0.00 0.00 176.35 177.37 3k57 n ARG 245 N 4.05 3.29 -0.15 1.98 1.74 -1.26 -1.04 116.66 125.27 3k57 n ARG 245 Ca 0.18 -3.18 0.10 0.00 -0.77 0.00 0.00 57.85 54.18 3k57 n ARG 245 Cb 0.45 -3.10 0.29 0.00 -1.02 0.00 0.00 32.46 29.08 3k57 n ARG 245 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3k57 n LEU 246 N 5.09 2.46 -4.76 0.55 4.77 -1.06 -4.72 117.00 119.33 3k57 n LEU 246 Ca 0.45 -1.08 -0.22 0.00 -0.03 0.00 0.00 56.01 55.12 3k57 n LEU 246 Cb 0.38 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 3k57 n LEU 246 CO 0.83 0.54 -0.21 -0.83 -1.33 0.00 0.00 177.39 176.40 3k57 s GLY 247 N -1.42 1.58 0.85 -0.72 0.00 -0.60 -4.78 107.32 102.23 3k57 s GLY 247 Ca 0.34 -1.56 -0.11 0.00 0.00 0.00 0.00 44.72 43.39 3k57 s GLY 247 CO 0.27 -1.58 1.09 0.50 0.00 0.00 0.00 173.10 173.38 3k57 s ARG 248 N -3.81 1.62 -1.50 2.90 0.52 0.11 -1.84 118.95 116.95 3k57 s ARG 248 Ca 0.34 0.95 -0.06 0.00 -0.52 0.00 0.00 55.73 56.44 3k57 s ARG 248 Cb -0.07 -1.84 0.01 0.00 0.52 0.00 0.00 34.95 33.57 3k57 s ARG 248 CO 0.23 -2.03 0.80 -3.47 0.02 0.00 0.00 175.30 170.86 3k57 n ASP 249 N -3.75 -6.26 -4.08 0.23 2.03 -1.26 -2.76 116.55 100.70 3k57 n ASP 249 Ca 0.08 -0.37 -0.28 0.00 0.52 0.00 0.00 54.79 54.74 3k57 n ASP 249 Cb 0.54 -5.01 -0.04 0.00 -0.72 0.00 0.00 41.12 35.89 3k57 n ASP 249 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3k57 n ASN 250 N -2.69 -0.28 -4.96 1.67 3.02 -1.18 -4.95 115.26 105.88 3k57 n ASN 250 Ca -0.07 -1.08 -0.22 0.00 -0.03 0.00 0.00 54.58 53.18 3k57 n ASN 250 Cb 0.60 -2.65 -0.02 0.00 -0.61 0.00 0.00 39.78 37.11 3k57 n ASN 250 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3k57 s SER 251 N -4.26 6.29 0.36 6.41 1.04 -0.77 -4.94 113.70 117.82 3k57 s SER 251 Ca 0.08 0.14 -0.20 0.00 0.48 0.00 0.00 55.95 56.45 3k57 s SER 251 Cb -0.04 -1.86 -0.10 0.00 0.10 0.00 0.00 66.02 64.12 3k57 s SER 251 CO 0.92 -0.15 0.87 -1.61 0.98 0.00 0.00 173.24 174.25 3k57 s GLU 252 N -4.07 4.25 0.43 4.02 2.02 -1.26 -1.55 118.70 122.53 3k57 s GLU 252 Ca 0.36 1.02 -0.26 0.00 0.02 0.00 0.00 54.97 56.11 3k57 s GLU 252 Cb -0.09 -2.45 -0.09 0.00 0.10 0.00 0.00 34.13 31.60 3k57 s GLU 252 CO 0.31 0.13 1.39 -1.17 0.02 0.00 0.00 175.26 175.93 3k57 s LEU 253 N -2.76 4.17 0.19 1.80 2.96 -0.20 -4.67 118.68 120.17 3k57 s LEU 253 Ca 0.55 2.83 0.11 0.00 -0.22 0.00 0.00 54.13 57.41 3k57 s LEU 253 Cb -0.12 -3.89 -0.04 0.00 0.50 0.00 0.00 46.19 42.63 3k57 s LEU 253 CO 0.17 -1.02 -0.23 -1.61 -1.32 0.00 0.00 176.35 172.34 3k57 s GLU 254 N -2.33 1.49 -0.03 1.98 2.02 0.93 -4.96 118.70 117.80 3k57 s GLU 254 Ca 0.59 -1.52 0.04 0.00 0.02 0.00 0.00 54.97 54.09 3k57 s GLU 254 Cb -0.42 -1.78 -0.00 0.00 0.10 0.00 0.00 34.13 32.03 3k57 s GLU 254 CO 0.54 0.38 -0.13 -1.58 0.02 0.00 0.00 175.26 174.50 3k57 s TRP 255 N -1.74 1.28 -0.11 1.61 0.52 -1.26 -0.27 118.94 118.97 3k57 s TRP 255 Ca 0.20 -0.32 0.03 0.00 0.02 0.00 0.00 56.10 56.03 3k57 s TRP 255 Cb -0.08 -0.87 0.01 0.00 -1.15 0.00 0.00 33.47 31.39 3k57 s TRP 255 CO 0.10 -0.10 -0.19 1.03 0.02 0.00 0.00 176.95 177.80 3k57 s ARG 256 N 0.02 2.62 0.53 4.98 1.81 -0.41 -4.92 118.95 123.58 3k57 s ARG 256 Ca -0.01 -0.72 -0.18 0.00 -1.72 0.00 0.00 55.73 53.10 3k57 s ARG 256 Cb -0.09 -2.10 -0.06 0.00 -0.45 0.00 0.00 34.95 32.25 3k57 s ARG 256 CO 0.01 0.03 1.05 -1.83 -0.68 0.00 0.00 175.30 173.88 3k57 s GLU 257 N 0.71 3.59 -0.19 3.54 -1.05 -1.26 -0.06 118.70 123.98 3k57 s GLU 257 Ca -0.11 1.29 -0.29 0.00 -0.15 0.00 0.00 54.97 55.71 3k57 s GLU 257 Cb -0.16 -2.07 -0.00 0.00 -0.44 0.00 0.00 34.13 31.46 3k57 s GLU 257 CO 0.02 -0.60 1.17 -1.58 0.95 0.00 0.00 175.26 175.23 3k57 s HIS 258 N -2.18 3.04 0.21 4.83 5.65 -0.86 -4.88 115.29 121.10 3k57 s HIS 258 Ca 0.66 1.19 -0.09 0.00 0.25 0.00 0.00 55.06 57.07 3k57 s HIS 258 Cb -0.16 -3.42 0.30 0.00 -1.18 0.00 0.00 32.58 28.12 3k57 s HIS 258 CO 0.27 -1.21 1.74 0.78 -0.65 0.00 0.00 174.74 175.68 3k57 h GLY 259 N 9.63 0.88 -1.28 1.59 0.00 -1.93 -3.12 103.07 108.84 3k57 h GLY 259 Ca -0.23 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3k57 h GLY 259 CO 0.98 -0.03 0.00 1.97 0.00 0.00 0.00 176.54 179.46 3k57 n PHE 260 N -5.00 0.12 -4.63 5.60 1.16 -1.26 -4.97 117.46 108.48 3k57 n PHE 260 Ca 0.09 -0.10 -0.24 0.00 -1.87 0.00 0.00 57.45 55.33 3k57 n PHE 260 Cb 0.29 -0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.01 3k57 n PHE 260 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 3k57 s LYS 261 N -1.18 1.30 -0.03 3.97 2.20 -1.18 -5.15 119.74 119.68 3k57 s LYS 261 Ca 0.20 -0.83 -0.00 0.00 -0.36 0.00 0.00 55.97 54.98 3k57 s LYS 261 Cb 0.13 -1.36 -0.04 0.00 -1.51 0.00 0.00 37.83 35.06 3k57 s LYS 261 CO 0.19 0.35 0.02 0.54 -0.36 0.00 0.00 175.35 176.09 3k57 s ASN 262 N -0.99 5.31 0.00 1.43 6.03 -1.26 -4.07 114.94 121.40 3k57 s ASN 262 Ca 0.06 0.08 0.00 0.00 -1.03 0.00 0.00 52.86 51.97 3k57 s ASN 262 Cb -0.08 -1.46 0.00 0.00 -3.03 0.00 0.00 41.25 36.68 3k57 s ASN 262 CO 0.01 0.31 0.00 0.61 -2.03 0.00 0.00 177.10 176.00 3k57 n GLY 263 N 1.58 0.79 3.03 0.45 0.00 -1.26 -5.03 105.19 104.75 3k57 n GLY 263 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 3k57 n GLY 263 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k57 s VAL 264 N -3.00 1.45 0.24 1.61 -7.23 -1.26 -5.10 120.40 107.11 3k57 s VAL 264 Ca 0.00 -0.60 0.09 0.00 -1.81 0.00 0.00 61.98 59.66 3k57 s VAL 264 Cb 0.00 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 3k57 s VAL 264 CO 0.00 0.43 -0.00 -0.36 -0.31 0.00 0.00 175.10 174.86 3k57 s PHE 265 N 1.15 2.74 -0.05 2.82 0.08 -1.26 -2.04 117.98 121.42 3k57 s PHE 265 Ca -0.03 -0.20 0.01 0.00 0.12 0.00 0.00 56.93 56.83 3k57 s PHE 265 Cb -0.14 -1.25 -0.03 0.00 -0.57 0.00 0.00 43.02 41.03 3k57 s PHE 265 CO -0.04 0.59 -0.07 -0.06 -0.10 0.00 0.00 175.22 175.53 3k57 s PHE 266 N -2.14 2.91 -0.13 0.36 0.08 0.91 -4.90 117.98 115.08 3k57 s PHE 266 Ca 0.30 0.00 -0.11 0.00 0.12 0.00 0.00 56.93 57.24 3k57 s PHE 266 Cb -0.07 -1.69 -0.05 0.00 -0.57 0.00 0.00 43.02 40.64 3k57 s PHE 266 CO 0.19 0.33 0.23 0.00 -0.10 0.00 0.00 175.22 175.88 3k57 s ALA 267 N -0.84 3.72 -0.07 5.36 0.00 -1.26 -1.29 121.76 127.38 3k57 s ALA 267 Ca 0.13 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.59 3k57 s ALA 267 Cb -0.11 -2.21 0.02 0.00 0.00 0.00 0.00 23.12 20.82 3k57 s ALA 267 CO 0.03 0.35 -0.09 -0.65 0.00 0.00 0.00 175.76 175.39 3k57 s GLN 268 N -0.32 1.44 -0.17 0.00 -1.52 0.62 -4.92 119.66 114.80 3k57 s GLN 268 Ca 0.16 -0.30 0.01 0.00 -1.95 0.00 0.00 55.36 53.27 3k57 s GLN 268 Cb -0.13 -1.29 0.03 0.00 -0.22 0.00 0.00 33.01 31.40 3k57 s GLN 268 CO 0.04 -0.05 -0.12 0.00 -0.25 0.00 0.00 175.29 174.91 3k57 s ALA 269 N 0.92 1.94 0.16 6.09 0.00 -1.26 -0.05 121.76 129.55 3k57 s ALA 269 Ca -0.10 -1.05 -0.34 0.00 0.00 0.00 0.00 51.96 50.46 3k57 s ALA 269 Cb -0.15 -1.16 -0.14 0.00 0.00 0.00 0.00 23.12 21.66 3k57 s ALA 269 CO 0.01 -0.59 1.52 1.17 0.00 0.00 0.00 175.76 177.87 3k57 n LYS 270 N 4.73 1.99 -0.95 0.00 4.81 -1.26 -1.84 118.16 125.63 3k57 n LYS 270 Ca -0.16 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 3k57 n LYS 270 Cb 0.48 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.08 3k57 n LYS 270 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k57 n GLY 271 N 3.15 0.56 3.14 3.14 0.00 -1.26 0.04 105.19 113.97 3k57 n GLY 271 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 3k57 n GLY 271 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k57 s ARG 272 N -0.34 0.75 0.03 1.61 0.52 -0.77 -4.81 118.95 115.95 3k57 s ARG 272 Ca 0.00 -1.03 -0.05 0.00 -0.52 0.00 0.00 55.73 54.12 3k57 s ARG 272 Cb 0.00 -0.48 -0.05 0.00 0.52 0.00 0.00 34.95 34.94 3k57 s ARG 272 CO 0.00 0.08 0.27 -0.51 0.02 0.00 0.00 175.30 175.16 3k57 s LEU 273 N -2.16 4.35 -0.23 2.53 1.43 -0.04 -4.55 118.68 120.03 3k57 s LEU 273 Ca 0.01 0.52 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 3k57 s LEU 273 Cb -0.05 -2.79 0.04 0.00 0.03 0.00 0.00 46.19 43.43 3k57 s LEU 273 CO 0.00 0.22 -0.14 -0.63 0.23 0.00 0.00 176.35 176.03 3k57 s ILE 274 N -1.37 2.12 -0.22 -0.59 1.01 -1.26 -0.46 121.20 120.42 3k57 s ILE 274 Ca 0.30 -1.37 0.02 0.00 0.00 0.00 0.00 60.65 59.60 3k57 s ILE 274 Cb -0.13 -2.11 0.04 0.00 0.01 0.00 0.00 42.46 40.27 3k57 s ILE 274 CO 0.19 0.18 -0.15 -0.63 0.00 0.00 0.00 174.94 174.53 3k57 s ILE 275 N 1.18 2.17 -0.11 2.92 -1.09 0.42 -4.84 121.20 121.84 3k57 s ILE 275 Ca -0.04 -1.28 -0.23 0.00 -2.23 0.00 0.00 60.65 56.88 3k57 s ILE 275 Cb -0.17 -2.10 -0.03 0.00 -1.58 0.00 0.00 42.46 38.58 3k57 s ILE 275 CO -0.08 0.24 0.69 -0.62 -1.23 0.00 0.00 174.94 173.94 3k57 s ASP 276 N 1.20 6.90 0.32 3.58 2.15 -1.26 -2.49 116.67 127.07 3k57 s ASP 276 Ca -0.02 1.08 0.00 0.00 0.43 0.00 0.00 52.55 54.05 3k57 s ASP 276 Cb -0.17 -2.39 0.54 0.00 -0.30 0.00 0.00 42.92 40.59 3k57 s ASP 276 CO -0.09 -0.18 1.97 1.23 -0.17 0.00 0.00 175.17 177.94 3k57 h GLY 277 N 7.27 0.99 0.85 2.66 0.00 -1.21 -1.56 103.07 112.07 3k57 h GLY 277 Ca -0.37 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 3k57 h GLY 277 CO 0.77 0.38 -0.08 -2.22 0.00 0.00 0.00 176.54 175.40 3k57 h ILE 278 N 0.95 0.92 -0.56 2.60 2.04 -1.92 0.52 117.51 122.06 3k57 h ILE 278 Ca 0.25 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3k57 h ILE 278 Cb -0.06 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3k57 h ILE 278 CO -0.05 0.08 0.35 -0.33 0.00 0.00 0.00 178.15 178.20 3k57 h GLU 279 N -0.36 0.75 -0.11 2.37 5.08 -1.94 -2.20 114.58 118.16 3k57 h GLU 279 Ca -0.02 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3k57 h GLU 279 Cb 0.29 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3k57 h GLU 279 CO 0.04 0.52 0.06 0.00 -1.00 0.00 0.00 179.01 178.62 3k57 h ALA 280 N 1.18 0.14 -0.86 3.43 0.00 -1.10 -1.76 119.26 120.29 3k57 h ALA 280 Ca 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3k57 h ALA 280 Cb -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3k57 h ALA 280 CO -0.04 -0.32 0.44 -0.07 0.00 0.00 0.00 179.25 179.26 3k57 h LEU 281 N 0.07 1.10 -1.33 0.00 4.07 -0.85 -2.12 115.31 116.24 3k57 h LEU 281 Ca 0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 57.88 57.86 3k57 h LEU 281 Cb 0.09 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.52 3k57 h LEU 281 CO -0.01 0.90 0.20 0.11 -1.08 0.00 0.00 178.44 178.57 3k57 h LYS 282 N 1.21 0.66 0.00 1.13 1.57 -1.12 -0.94 116.57 119.07 3k57 h LYS 282 Ca 0.30 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3k57 h LYS 282 Cb 0.07 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3k57 h LYS 282 CO -0.04 0.53 -0.03 0.66 -0.57 0.00 0.00 179.45 180.00 3k57 h SER 283 N 0.66 0.00 -0.67 0.86 4.64 -0.65 -1.44 113.55 116.95 3k57 h SER 283 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3k57 h SER 283 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3k57 h SER 283 CO -0.02 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 3k57 n ALA 284 N -2.11 2.77 -1.73 5.18 0.00 -0.42 -4.94 120.51 119.26 3k57 n ALA 284 Ca 0.00 -1.39 -0.14 0.00 0.00 0.00 0.00 53.44 51.91 3k57 n ALA 284 Cb 0.29 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 3k57 n ALA 284 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k57 n PHE 285 N 1.31 -0.25 -2.54 0.00 3.72 -0.54 -4.80 117.46 114.36 3k57 n PHE 285 Ca 0.24 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.28 3k57 n PHE 285 Cb 0.74 -2.67 -0.04 0.00 -0.94 0.00 0.00 39.48 36.57 3k57 n PHE 285 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3k57 s TRP 286 N -2.58 3.29 0.02 1.38 0.52 -0.82 -5.02 118.94 115.73 3k57 s TRP 286 Ca 0.00 1.65 0.01 0.00 0.02 0.00 0.00 56.10 57.78 3k57 s TRP 286 Cb 0.00 -3.14 -0.01 0.00 -1.15 0.00 0.00 33.47 29.17 3k57 s TRP 286 CO 0.00 -0.62 -0.04 1.21 0.02 0.00 0.00 176.95 177.53 3k57 s ASN 287 N -1.51 0.37 0.17 2.95 3.84 -1.26 -4.52 114.94 114.98 3k57 s ASN 287 Ca 0.57 -0.33 -0.06 0.00 0.21 0.00 0.00 52.86 53.24 3k57 s ASN 287 Cb -0.23 0.04 -0.02 0.00 -0.55 0.00 0.00 41.25 40.49 3k57 s ASN 287 CO 0.29 -0.15 0.24 -0.36 -2.79 0.00 0.00 177.10 174.32 3k57 s PHE 288 N -0.88 0.61 0.42 0.43 0.08 -1.26 -5.02 117.98 112.35 3k57 s PHE 288 Ca -0.08 -0.95 0.11 0.00 0.12 0.00 0.00 56.93 56.12 3k57 s PHE 288 Cb -0.06 -0.19 0.95 0.00 -0.57 0.00 0.00 43.02 43.14 3k57 s PHE 288 CO -0.00 -0.70 2.02 0.66 -0.10 0.00 0.00 175.22 177.09 3k57 h SER 289 N 2.59 0.42 -5.01 1.36 4.64 -2.01 -3.43 113.55 112.11 3k57 h SER 289 Ca -0.32 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.96 3k57 h SER 289 Cb 1.23 -0.09 -0.14 0.00 -0.31 0.00 0.00 62.40 63.09 3k57 h SER 289 CO 0.50 0.28 0.16 -0.94 -0.87 0.00 0.00 176.83 175.96 3k57 s SER 290 N -6.45 -0.54 -0.19 4.97 1.04 -1.26 -5.07 113.70 106.20 3k57 s SER 290 Ca -0.08 0.12 0.11 0.00 0.48 0.00 0.00 55.95 56.58 3k57 s SER 290 Cb 0.19 0.57 0.66 0.00 0.10 0.00 0.00 66.02 67.53 3k57 s SER 290 CO 0.74 -0.87 1.50 0.49 0.98 0.00 0.00 173.24 176.09 3k57 n PHE 291 N -0.05 1.68 -1.85 5.02 3.72 -1.26 -4.27 117.46 120.44 3k57 n PHE 291 Ca -0.17 -0.58 -0.33 0.00 -0.05 0.00 0.00 57.45 56.32 3k57 n PHE 291 Cb 0.63 -0.43 0.03 0.00 -0.94 0.00 0.00 39.48 38.77 3k57 n PHE 291 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3k57 s SER 292 N -0.62 5.36 0.28 4.37 1.04 -1.26 -4.84 113.70 118.02 3k57 s SER 292 Ca 0.44 1.92 -0.02 0.00 0.48 0.00 0.00 55.95 58.76 3k57 s SER 292 Cb 0.33 -2.54 0.41 0.00 0.10 0.00 0.00 66.02 64.32 3k57 s SER 292 CO 0.13 -1.46 1.92 0.25 0.98 0.00 0.00 173.24 175.06 3k57 h LEU 293 N 0.15 1.02 -0.34 2.42 5.85 -1.99 -2.00 115.31 120.42 3k57 h LEU 293 Ca -0.47 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 3k57 h LEU 293 Cb 1.24 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 3k57 h LEU 293 CO 0.55 0.69 0.21 -0.33 -0.34 0.00 0.00 178.44 179.22 3k57 h GLU 294 N 1.18 0.46 -0.12 1.25 3.07 -1.97 -0.23 114.58 118.22 3k57 h GLU 294 Ca 0.38 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.16 3k57 h GLU 294 Cb 0.04 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.85 3k57 h GLU 294 CO -0.12 0.35 -0.07 1.15 -1.40 0.00 0.00 179.01 178.91 3k57 h THR 295 N 0.44 1.33 -0.68 1.13 2.02 -1.81 -1.66 112.91 113.68 3k57 h THR 295 Ca 0.12 -1.13 -0.06 0.00 0.77 0.00 0.00 66.41 66.11 3k57 h THR 295 Cb 0.00 1.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 3k57 h THR 295 CO -0.02 0.33 0.19 0.58 0.37 0.00 0.00 175.52 176.96 3k57 h VAL 296 N -0.10 1.25 -0.74 3.16 2.07 -1.35 -1.04 116.25 119.50 3k57 h VAL 296 Ca 0.02 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 3k57 h VAL 296 Cb 0.55 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3k57 h VAL 296 CO 0.02 0.35 0.25 0.00 0.02 0.00 0.00 177.57 178.21 3k57 h ALA 297 N 1.19 0.97 -0.28 1.67 0.00 -1.02 -0.81 119.26 120.99 3k57 h ALA 297 Ca 0.22 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3k57 h ALA 297 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3k57 h ALA 297 CO -0.00 0.64 -0.08 0.37 0.00 0.00 0.00 179.25 180.17 3k57 h GLN 298 N 1.09 0.54 -0.18 0.00 4.15 -0.91 0.53 115.11 120.33 3k57 h GLN 298 Ca 0.24 -0.22 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 3k57 h GLN 298 Cb 0.28 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 3k57 h GLN 298 CO -0.01 0.76 -0.17 0.93 -1.93 0.00 0.00 178.83 178.41 3k57 h GLU 299 N 0.30 0.43 0.22 1.69 5.08 -1.06 -1.33 114.58 119.90 3k57 h GLU 299 Ca 0.07 -0.23 -0.32 0.00 -1.00 0.00 0.00 59.36 57.88 3k57 h GLU 299 Cb 0.57 0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.86 3k57 h GLU 299 CO 0.03 0.79 -1.42 -0.07 -1.00 0.00 0.00 179.01 177.34 3k57 h LEU 300 N 0.09 0.81 0.00 1.33 4.07 -1.23 -3.40 115.31 116.98 3k57 h LEU 300 Ca 0.03 -0.85 0.00 0.00 0.08 0.00 0.00 57.88 57.14 3k57 h LEU 300 Cb 0.71 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.18 3k57 h LEU 300 CO 0.04 1.66 -0.50 0.18 -1.08 0.00 0.00 178.44 178.74 3k57 n LEU 301 N -3.71 0.45 -0.08 1.67 4.77 0.14 -5.00 117.00 115.23 3k57 n LEU 301 Ca -0.15 -0.48 -0.01 0.00 -0.03 0.00 0.00 56.01 55.33 3k57 n LEU 301 Cb 1.08 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.16 3k57 n LEU 301 CO 0.60 0.11 -0.01 0.61 -1.33 0.00 0.00 177.39 177.37 3k57 n GLY 302 N 1.25 0.42 3.71 -0.72 0.00 -0.50 -4.98 105.19 104.38 3k57 n GLY 302 Ca 0.02 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 3k57 n GLY 302 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k57 s GLU 303 N -2.59 4.46 0.24 1.61 2.56 -1.15 -4.94 118.70 118.89 3k57 s GLU 303 Ca 0.00 1.69 -0.31 0.00 0.00 0.00 0.00 54.97 56.35 3k57 s GLU 303 Cb 0.00 -3.37 -0.11 0.00 2.00 0.00 0.00 34.13 32.65 3k57 s GLU 303 CO 0.00 -0.21 1.60 0.20 -0.56 0.00 0.00 175.26 176.29 3k57 s GLY 304 N 1.03 1.79 0.89 -1.50 0.00 -1.26 -3.92 107.32 104.35 3k57 s GLY 304 Ca 0.57 1.49 -0.13 0.00 0.00 0.00 0.00 44.72 46.65 3k57 s GLY 304 CO 0.29 2.61 1.20 1.25 0.00 0.00 0.00 173.10 178.46 3k57 s LYS 305 N 0.32 1.30 0.21 2.90 2.20 -1.26 -4.98 119.74 120.43 3k57 s LYS 305 Ca 0.67 0.01 0.11 0.00 -0.36 0.00 0.00 55.97 56.39 3k57 s LYS 305 Cb -0.46 -1.88 -0.04 0.00 -1.51 0.00 0.00 37.83 33.93 3k57 s LYS 305 CO 0.39 -2.03 -0.18 0.45 -0.36 0.00 0.00 175.35 173.63 3k57 s SER 306 N -4.51 3.77 0.00 1.43 0.15 -1.26 -5.00 113.70 108.28 3k57 s SER 306 Ca 0.66 -0.79 0.17 0.00 0.70 0.00 0.00 55.95 56.69 3k57 s SER 306 Cb -0.10 -0.44 0.62 0.00 -1.71 0.00 0.00 66.02 64.39 3k57 s SER 306 CO 0.51 0.10 1.45 -0.38 1.20 0.00 0.00 173.24 176.12 3k57 n ILE 307 N -0.00 0.26 -2.28 6.45 2.08 -1.26 -4.89 119.36 119.72 3k57 n ILE 307 Ca -0.10 -0.34 -0.42 0.00 0.56 0.00 0.00 62.75 62.44 3k57 n ILE 307 Cb 0.57 0.26 -0.03 0.00 -0.75 0.00 0.00 39.64 39.68 3k57 n ILE 307 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 3k57 s ASP 308 N -1.37 6.93 0.78 4.38 1.11 -1.26 -5.03 116.67 122.20 3k57 s ASP 308 Ca 0.28 2.13 -0.08 0.00 0.18 0.00 0.00 52.55 55.06 3k57 s ASP 308 Cb 0.15 -2.57 0.11 0.00 1.07 0.00 0.00 42.92 41.67 3k57 s ASP 308 CO 0.22 -0.61 1.10 0.20 1.18 0.00 0.00 175.17 177.25 3k57 s ASN 309 N 1.35 4.30 0.31 0.27 0.02 -1.26 -4.84 114.94 115.07 3k57 s ASN 309 Ca 0.62 0.28 0.00 0.00 -1.02 0.00 0.00 52.86 52.75 3k57 s ASN 309 Cb -0.32 -0.72 0.53 0.00 0.02 0.00 0.00 41.25 40.75 3k57 s ASN 309 CO 0.28 -1.94 1.93 1.55 0.02 0.00 0.00 177.10 178.94 3k57 h PRO 310 N -0.87 1.00 -0.40 -0.60 0.13 -1.99 -1.91 132.00 127.37 3k57 h PRO 310 Ca -0.43 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 3k57 h PRO 310 Cb 1.29 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 3k57 h PRO 310 CO 0.52 0.66 0.08 -1.49 -0.23 0.00 0.00 178.00 177.54 3k57 h TRP 311 N 1.03 0.69 -0.01 1.56 4.06 -1.99 0.15 115.95 121.44 3k57 h TRP 311 Ca 0.37 -0.09 -0.12 0.00 2.06 0.00 0.00 58.89 61.10 3k57 h TRP 311 Cb 0.13 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.09 3k57 h TRP 311 CO -0.00 0.67 -0.57 -0.44 -3.56 0.00 0.00 178.44 174.54 3k57 h ASP 312 N 0.51 0.05 -0.33 -3.49 5.19 -1.89 -1.60 116.42 114.85 3k57 h ASP 312 Ca 0.12 -0.03 -0.08 0.00 -0.62 0.00 0.00 57.03 56.43 3k57 h ASP 312 Cb 0.34 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 3k57 h ASP 312 CO 0.01 0.61 -0.09 -0.09 -3.12 0.00 0.00 179.24 176.55 3k57 h ARG 313 N 0.03 0.65 -0.68 3.56 9.65 -1.03 0.94 114.38 127.50 3k57 h ARG 313 Ca -0.00 -0.25 -0.06 0.00 -1.10 0.00 0.00 59.98 58.56 3k57 h ARG 313 Cb 1.02 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.54 3k57 h ARG 313 CO 0.08 0.83 0.20 1.98 2.80 0.00 0.00 179.97 185.86 3k57 h MET 314 N 0.43 1.07 -0.26 0.20 4.05 -0.55 -1.72 114.93 118.14 3k57 h MET 314 Ca 0.08 -0.24 -0.12 0.00 -0.28 0.00 0.00 59.70 59.15 3k57 h MET 314 Cb 0.59 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 3k57 h MET 314 CO 0.04 0.93 -0.33 -0.44 0.23 0.00 0.00 176.91 177.33 3k57 h ASP 315 N 1.00 0.58 -0.67 1.39 3.32 -1.12 -2.27 116.42 118.66 3k57 h ASP 315 Ca 0.22 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 3k57 h ASP 315 Cb 0.31 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3k57 h ASP 315 CO -0.01 0.87 0.23 -0.08 -1.72 0.00 0.00 179.24 178.54 3k57 h GLU 316 N 0.48 1.03 -0.67 3.56 4.57 -0.43 0.20 114.58 123.32 3k57 h GLU 316 Ca 0.05 -0.21 -0.05 0.00 -1.18 0.00 0.00 59.36 57.97 3k57 h GLU 316 Cb 0.80 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 3k57 h GLU 316 CO 0.07 0.88 0.21 0.82 -1.18 0.00 0.00 179.01 179.80 3k57 h ILE 317 N 0.97 1.25 -0.18 2.32 2.04 -1.21 -0.39 117.51 122.31 3k57 h ILE 317 Ca 0.22 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 3k57 h ILE 317 Cb 0.26 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3k57 h ILE 317 CO -0.01 0.34 0.10 0.44 0.00 0.00 0.00 178.15 179.01 3k57 h ASP 318 N 0.97 0.22 -0.48 1.72 3.32 -0.88 -1.27 116.42 120.01 3k57 h ASP 318 Ca 0.22 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3k57 h ASP 318 Cb 0.30 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3k57 h ASP 318 CO -0.01 0.22 0.28 -0.09 -1.72 0.00 0.00 179.24 177.92 3k57 h ARG 319 N 0.19 0.67 -0.57 3.56 2.43 -0.35 -0.85 114.38 119.46 3k57 h ARG 319 Ca 0.06 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3k57 h ARG 319 Cb 0.05 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3k57 h ARG 319 CO -0.01 0.51 0.23 0.00 -1.51 0.00 0.00 179.97 179.19 3k57 h ARG 320 N 0.64 0.85 -0.74 0.20 3.08 -0.93 0.41 114.38 117.89 3k57 h ARG 320 Ca 0.17 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3k57 h ARG 320 Cb 0.03 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3k57 h ARG 320 CO -0.03 0.73 0.29 0.35 -1.07 0.00 0.00 179.97 180.24 3k57 h PHE 321 N 0.79 1.14 -0.43 3.04 3.57 -1.00 1.04 116.94 125.09 3k57 h PHE 321 Ca 0.19 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 3k57 h PHE 321 Cb 0.19 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3k57 h PHE 321 CO 0.01 0.88 -0.05 0.00 -2.23 0.00 0.00 178.31 176.92 3k57 h ALA 322 N 1.14 0.58 0.00 2.41 0.00 -0.64 -3.40 119.26 119.36 3k57 h ALA 322 Ca 0.25 -0.30 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 3k57 h ALA 322 Cb 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3k57 h ALA 322 CO -0.02 0.42 -1.93 0.39 0.00 0.00 0.00 179.25 178.11 3k57 n GLU 323 N -4.35 0.38 -3.65 0.00 1.02 0.14 -4.94 120.64 109.24 3k57 n GLU 323 Ca -0.00 0.12 -0.28 0.00 -0.02 0.00 0.00 57.16 56.98 3k57 n GLU 323 Cb 0.33 -1.22 -0.11 0.00 -0.02 0.00 0.00 31.44 30.42 3k57 n GLU 323 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3k57 s ASP 324 N -6.01 3.16 0.35 1.62 -1.08 0.35 -3.46 116.67 111.61 3k57 s ASP 324 Ca -0.23 -3.49 0.05 0.00 -0.52 0.00 0.00 52.55 48.37 3k57 s ASP 324 Cb 0.07 -1.05 0.65 0.00 -1.46 0.00 0.00 42.92 41.14 3k57 s ASP 324 CO 0.34 -0.12 1.91 0.11 0.52 0.00 0.00 175.17 177.93 3k57 h LYS 325 N 5.50 0.52 -0.76 4.34 1.57 -1.55 -1.40 116.57 124.78 3k57 h LYS 325 Ca 0.21 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3k57 h LYS 325 Cb 0.83 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 3k57 h LYS 325 CO 0.55 0.51 0.39 -1.35 -0.57 0.00 0.00 179.45 178.99 3k57 h PRO 326 N 0.51 1.07 -0.31 3.15 0.11 -1.87 0.10 132.00 134.76 3k57 h PRO 326 Ca 0.12 -0.13 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 3k57 h PRO 326 Cb 0.25 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 3k57 h PRO 326 CO 0.00 0.80 -0.14 0.00 -0.21 0.00 0.00 178.00 178.46 3k57 h ALA 327 N 1.36 1.18 -0.43 -0.75 0.00 -1.62 -0.96 119.26 118.04 3k57 h ALA 327 Ca 0.27 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3k57 h ALA 327 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3k57 h ALA 327 CO -0.04 0.52 -0.14 1.25 0.00 0.00 0.00 179.25 180.84 3k57 h LEU 328 N 0.49 0.87 -0.98 0.00 5.85 -0.63 -2.09 115.31 118.82 3k57 h LEU 328 Ca 0.09 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 3k57 h LEU 328 Cb 0.53 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3k57 h LEU 328 CO 0.03 1.05 0.17 0.00 -0.34 0.00 0.00 178.44 179.35 3k57 h ALA 329 N 0.85 1.18 -0.58 1.25 0.00 -0.41 0.15 119.26 121.69 3k57 h ALA 329 Ca 0.10 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3k57 h ALA 329 Cb 0.69 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3k57 h ALA 329 CO 0.05 0.57 0.11 1.15 0.00 0.00 0.00 179.25 181.13 3k57 h THR 330 N 0.87 1.25 -0.22 0.00 2.02 -1.10 0.22 112.91 115.96 3k57 h THR 330 Ca 0.19 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 3k57 h THR 330 Cb 0.28 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3k57 h THR 330 CO -0.01 0.35 0.06 0.22 0.37 0.00 0.00 175.52 176.52 3k57 h TYR 331 N 0.85 0.36 -0.33 3.16 3.20 -0.72 -1.77 116.97 121.72 3k57 h TYR 331 Ca 0.18 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3k57 h TYR 331 Cb 0.39 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3k57 h TYR 331 CO 0.03 0.43 0.21 -0.97 -1.64 0.00 0.00 178.16 176.22 3k57 h ASN 332 N 0.18 0.38 0.18 -2.11 -1.24 -0.49 -2.48 115.58 110.00 3k57 h ASN 332 Ca 0.07 -0.03 -0.11 0.00 0.71 0.00 0.00 56.30 56.94 3k57 h ASN 332 Cb 0.25 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 3k57 h ASN 332 CO -0.00 0.30 -0.39 0.25 -1.29 0.00 0.00 177.43 176.30 3k57 h LEU 333 N 0.43 0.30 -1.05 0.34 5.85 -0.94 -2.74 115.31 117.50 3k57 h LEU 333 Ca 0.12 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 3k57 h LEU 333 Cb -0.02 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3k57 h LEU 333 CO -0.02 0.67 0.07 0.50 -0.34 0.00 0.00 178.44 179.32 3k57 h LYS 334 N 0.25 0.75 -0.54 1.25 3.64 -1.08 -0.48 116.57 120.36 3k57 h LYS 334 Ca 0.02 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.18 3k57 h LYS 334 Cb 0.80 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 3k57 h LYS 334 CO 0.06 0.71 0.07 -0.91 -2.27 0.00 0.00 179.45 177.12 3k57 h ASN 335 N 0.72 0.82 -0.25 4.20 2.35 -1.16 -0.08 115.58 122.18 3k57 h ASN 335 Ca 0.15 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3k57 h ASN 335 Cb 0.33 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3k57 h ASN 335 CO 0.01 0.85 0.11 0.00 -1.65 0.00 0.00 177.43 176.74 3k57 h GLU 337 N 0.26 0.60 -0.70 0.00 5.08 -0.72 -2.04 114.58 117.06 3k57 h GLU 337 Ca 0.09 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 3k57 h GLU 337 Cb 0.15 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3k57 h GLU 337 CO -0.01 0.62 0.16 -0.07 -1.00 0.00 0.00 179.01 178.72 3k57 h LEU 338 N 0.57 1.06 -0.31 1.33 3.38 -0.91 0.15 115.31 120.59 3k57 h LEU 338 Ca 0.12 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3k57 h LEU 338 Cb 0.37 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3k57 h LEU 338 CO 0.01 1.02 0.02 0.58 0.09 0.00 0.00 178.44 180.16 3k57 h VAL 339 N 1.06 1.25 -0.63 1.22 2.07 -1.28 0.49 116.25 120.42 3k57 h VAL 339 Ca 0.22 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3k57 h VAL 339 Cb 0.38 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3k57 h VAL 339 CO 0.00 0.29 0.40 0.74 0.02 0.00 0.00 177.57 179.02 3k57 h THR 340 N 0.33 1.18 -0.49 2.57 2.02 -1.08 -1.12 112.91 116.32 3k57 h THR 340 Ca 0.09 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 3k57 h THR 340 Cb 0.40 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 3k57 h THR 340 CO 0.01 0.18 0.22 1.56 0.37 0.00 0.00 175.52 177.85 3k57 h GLN 341 N 0.86 0.72 -0.71 6.66 1.08 -0.82 -2.12 115.11 120.78 3k57 h GLN 341 Ca 0.23 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 3k57 h GLN 341 Cb -0.06 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.21 3k57 h GLN 341 CO -0.05 0.62 0.39 0.82 -0.95 0.00 0.00 178.83 179.66 3k57 h ILE 342 N 0.65 1.22 -0.35 2.54 2.04 -0.48 -0.47 117.51 122.65 3k57 h ILE 342 Ca 0.17 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.48 3k57 h ILE 342 Cb 0.16 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3k57 h ILE 342 CO -0.02 0.24 0.22 -0.26 0.00 0.00 0.00 178.15 178.34 3k57 h PHE 343 N 0.98 0.42 -0.28 1.37 0.04 -1.02 -2.08 116.94 116.37 3k57 h PHE 343 Ca 0.25 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.99 3k57 h PHE 343 Cb 0.04 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 3k57 h PHE 343 CO -0.00 0.26 0.02 0.45 -0.60 0.00 0.00 178.31 178.44 3k57 h HIS 344 N 0.46 0.51 -0.58 -0.55 3.86 -1.08 -1.56 115.15 116.22 3k57 h HIS 344 Ca 0.13 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 3k57 h HIS 344 Cb -0.04 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 3k57 h HIS 344 CO -0.06 0.60 0.18 -0.22 0.86 0.00 0.00 177.93 179.29 3k57 h LYS 345 N 0.28 0.87 -0.00 2.45 3.64 -1.01 -1.74 116.57 121.05 3k57 h LYS 345 Ca 0.08 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3k57 h LYS 345 Cb 0.39 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3k57 h LYS 345 CO 0.01 0.75 -0.10 0.25 -2.27 0.00 0.00 179.45 178.09 3k57 n THR 346 N -4.29 0.00 -3.33 1.00 -2.24 -0.79 -4.90 114.28 99.72 3k57 n THR 346 Ca 0.04 -0.02 -0.24 0.00 -2.27 0.00 0.00 64.05 61.57 3k57 n THR 346 Cb 0.20 -0.27 0.01 0.00 -2.10 0.00 0.00 70.33 68.17 3k57 n THR 346 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k57 n GLU 347 N -1.27 -3.93 -0.20 -0.78 1.02 -0.63 -4.87 120.64 109.99 3k57 n GLU 347 Ca 0.11 0.59 -0.03 0.00 -0.02 0.00 0.00 57.16 57.81 3k57 n GLU 347 Cb 0.29 -5.35 0.16 0.00 -0.02 0.00 0.00 31.44 26.53 3k57 n GLU 347 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3k57 h ILE 348 N -1.17 1.23 -0.29 -3.67 6.09 -1.72 -2.55 117.51 115.43 3k57 h ILE 348 Ca -0.47 -0.72 -0.03 0.00 -1.37 0.00 0.00 64.86 62.27 3k57 h ILE 348 Cb 1.31 0.43 -0.01 0.00 0.47 0.00 0.00 36.82 39.02 3k57 h ILE 348 CO 0.55 0.29 0.05 0.24 -3.07 0.00 0.00 178.15 176.22 3k57 h MET 349 N 0.97 0.47 -0.59 2.19 2.86 -1.90 -0.16 114.93 118.77 3k57 h MET 349 Ca 0.23 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3k57 h MET 349 Cb 0.18 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3k57 h MET 349 CO -0.02 0.57 0.33 -1.35 1.06 0.00 0.00 176.91 177.50 3k57 h PRO 350 N 0.29 0.81 -0.07 -0.22 0.11 -1.93 0.45 132.00 131.44 3k57 h PRO 350 Ca 0.09 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3k57 h PRO 350 Cb 0.32 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 3k57 h PRO 350 CO 0.00 0.59 0.05 0.35 -0.21 0.00 0.00 178.00 178.78 3k57 h PHE 351 N 0.82 0.09 -0.28 0.65 3.57 -1.00 -0.71 116.94 120.08 3k57 h PHE 351 Ca 0.21 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 3k57 h PHE 351 Cb 0.02 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3k57 h PHE 351 CO 0.00 0.07 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.99 3k57 h LEU 352 N 0.09 0.44 -0.28 0.59 3.38 -0.32 0.51 115.31 119.72 3k57 h LEU 352 Ca 0.03 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3k57 h LEU 352 Cb 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3k57 h LEU 352 CO -0.01 0.58 -0.04 -0.07 0.09 0.00 0.00 178.44 179.00 3k57 h LEU 353 N 0.43 0.51 -0.66 1.67 3.38 -0.66 -1.37 115.31 118.61 3k57 h LEU 353 Ca 0.08 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3k57 h LEU 353 Cb 0.44 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3k57 h LEU 353 CO 0.02 0.74 0.15 -0.33 0.09 0.00 0.00 178.44 179.11 3k57 h GLU 354 N 0.28 1.07 -0.62 1.13 4.39 -0.79 -2.03 114.58 118.01 3k57 h GLU 354 Ca 0.07 -0.27 -0.07 0.00 0.34 0.00 0.00 59.36 59.44 3k57 h GLU 354 Cb 0.50 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 3k57 h GLU 354 CO 0.02 0.96 0.13 -0.09 -1.16 0.00 0.00 179.01 178.87 3k57 h ARG 355 N 1.00 1.01 -0.62 2.33 2.43 -0.82 -2.43 114.38 117.27 3k57 h ARG 355 Ca 0.21 -0.26 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 3k57 h ARG 355 Cb 0.38 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3k57 h ARG 355 CO 0.00 0.93 0.05 0.00 -1.51 0.00 0.00 179.97 179.44 3k57 h ALA 356 N 1.04 0.83 -0.51 2.80 0.00 -1.16 -0.12 119.26 122.13 3k57 h ALA 356 Ca 0.19 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3k57 h ALA 356 Cb 0.39 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3k57 h ALA 356 CO 0.01 0.63 0.34 1.15 0.00 0.00 0.00 179.25 181.38 3k57 h THR 357 N 0.96 1.05 0.10 0.00 2.02 -1.11 -0.25 112.91 115.69 3k57 h THR 357 Ca 0.18 -0.19 -0.14 0.00 0.77 0.00 0.00 66.41 67.02 3k57 h THR 357 Cb 0.50 0.43 0.02 0.00 -1.74 0.00 0.00 68.15 67.36 3k57 h THR 357 CO 0.02 0.10 -0.62 0.58 0.37 0.00 0.00 175.52 175.97 3k57 h VAL 358 N 0.57 1.57 -0.00 3.16 2.07 -0.95 -3.39 116.25 119.28 3k57 h VAL 358 Ca 0.21 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.26 3k57 h VAL 358 Cb 0.12 3.22 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 3k57 h VAL 358 CO -0.05 0.69 -0.38 -0.46 0.02 0.00 0.00 177.57 177.38 3k57 n ASN 359 N -4.24 0.61 0.00 0.57 6.94 -0.10 -4.97 115.26 114.07 3k57 n ASN 359 Ca -0.13 -0.40 0.00 0.00 -0.02 0.00 0.00 54.58 54.03 3k57 n ASN 359 Cb 0.74 0.15 0.00 0.00 -2.36 0.00 0.00 39.78 38.31 3k57 n ASN 359 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3k57 n GLY 360 N 1.44 0.77 3.96 4.83 0.00 -0.12 -4.51 105.19 111.56 3k57 n GLY 360 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 3k57 n GLY 360 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k57 s LEU 361 N 0.00 3.67 0.67 0.99 1.43 -1.26 -4.89 118.68 119.30 3k57 s LEU 361 Ca 0.00 0.22 -0.17 0.00 -1.03 0.00 0.00 54.13 53.15 3k57 s LEU 361 Cb 0.00 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.12 3k57 s LEU 361 CO 0.00 -0.68 1.28 -2.84 0.23 0.00 0.00 176.35 174.33 3k57 s PRO 362 N -4.52 2.43 0.32 1.29 0.02 -1.26 -4.71 135.00 128.57 3k57 s PRO 362 Ca 0.48 2.01 0.04 0.00 0.02 0.00 0.00 61.00 63.55 3k57 s PRO 362 Cb -0.10 -1.84 0.66 0.00 0.02 0.00 0.00 34.50 33.24 3k57 s PRO 362 CO 0.37 -1.68 1.88 0.28 -0.33 0.00 0.00 177.00 177.52 3k57 h VAL 363 N 0.33 0.93 -0.37 3.83 2.07 -1.88 -1.82 116.25 119.35 3k57 h VAL 363 Ca -0.50 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3k57 h VAL 363 Cb 1.33 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3k57 h VAL 363 CO 0.52 0.16 0.01 -0.90 0.02 0.00 0.00 177.57 177.38 3k57 n ASP 364 N -4.55 3.96 -4.39 0.57 5.68 -1.26 -4.81 116.55 111.74 3k57 n ASP 364 Ca 0.16 -2.60 -0.36 0.00 -0.50 0.00 0.00 54.79 51.50 3k57 n ASP 364 Cb 0.35 -0.62 -0.13 0.00 -1.14 0.00 0.00 41.12 39.58 3k57 n ASP 364 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3k57 s ARG 365 N -2.11 3.54 0.23 0.11 3.52 -0.69 -4.97 118.95 118.59 3k57 s ARG 365 Ca 0.34 -0.54 -0.00 0.00 -0.13 0.00 0.00 55.73 55.40 3k57 s ARG 365 Cb 0.26 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.40 3k57 s ARG 365 CO 0.10 -0.20 0.42 -1.01 -0.81 0.00 0.00 175.30 173.80 3k57 s HIS 366 N 1.56 3.48 0.00 5.12 3.76 -1.26 -4.80 115.29 123.16 3k57 s HIS 366 Ca 0.06 0.33 0.00 0.00 -0.15 0.00 0.00 55.06 55.30 3k57 s HIS 366 Cb -0.15 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.69 3k57 s HIS 366 CO 0.01 0.33 0.00 0.41 -0.85 0.00 0.00 174.74 174.64 3k57 n GLY 367 N -0.91 2.25 2.71 -2.22 0.00 -1.26 -4.93 105.19 100.83 3k57 n GLY 367 Ca -0.05 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 3k57 n GLY 367 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k57 n GLY 368 N 0.00 -0.21 0.28 -0.02 0.00 -1.26 -4.92 105.19 99.06 3k57 n GLY 368 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 45.94 3k57 n GLY 368 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k57 h SER 369 N -1.09 0.50 -0.05 1.61 0.02 -1.98 0.68 113.55 113.25 3k57 h SER 369 Ca -0.40 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3k57 h SER 369 Cb 1.27 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 3k57 h SER 369 CO 0.42 0.28 0.01 0.58 -1.14 0.00 0.00 176.83 176.99 3k57 h VAL 370 N 0.64 1.17 -0.62 2.27 2.07 -1.93 -1.33 116.25 118.51 3k57 h VAL 370 Ca 0.37 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 3k57 h VAL 370 Cb 0.39 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3k57 h VAL 370 CO -0.27 0.14 0.19 0.00 0.02 0.00 0.00 177.57 177.65 3k57 h ALA 371 N 0.82 1.17 -0.49 1.67 0.00 -1.85 -1.57 119.26 119.00 3k57 h ALA 371 Ca 0.02 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3k57 h ALA 371 Cb 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3k57 h ALA 371 CO -0.00 0.58 0.01 0.00 0.00 0.00 0.00 179.25 179.83 3k57 h ALA 372 N 1.29 0.65 -0.27 0.00 0.00 -0.79 0.20 119.26 120.35 3k57 h ALA 372 Ca 0.21 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3k57 h ALA 372 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3k57 h ALA 372 CO -0.01 0.45 0.10 0.35 0.00 0.00 0.00 179.25 180.15 3k57 h PHE 373 N 0.71 0.18 -0.44 0.00 3.57 -0.92 -1.76 116.94 118.29 3k57 h PHE 373 Ca 0.14 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.67 3k57 h PHE 373 Cb 0.50 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3k57 h PHE 373 CO 0.04 0.09 0.27 0.78 -2.23 0.00 0.00 178.31 177.26 3k57 h GLY 374 N 0.23 0.62 0.69 2.40 0.00 -0.96 0.20 103.07 106.25 3k57 h GLY 374 Ca 0.12 -0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.29 3k57 h GLY 374 CO -0.12 0.19 0.18 0.84 0.00 0.00 0.00 176.54 177.63 3k57 h HIS 375 N 0.55 0.33 -0.01 5.60 -0.00 -0.51 -0.07 115.15 121.03 3k57 h HIS 375 Ca 0.17 0.02 -0.24 0.00 -0.00 0.00 0.00 60.37 60.32 3k57 h HIS 375 Cb -0.01 -0.09 0.01 0.00 -0.00 0.00 0.00 27.41 27.32 3k57 h HIS 375 CO -0.06 0.15 -0.96 -0.07 -0.00 0.00 0.00 177.93 176.99 3k57 h LEU 376 N 0.37 0.68 -0.18 0.26 3.38 -1.16 -3.36 115.31 115.29 3k57 h LEU 376 Ca 0.19 -0.53 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 3k57 h LEU 376 Cb 0.15 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3k57 h LEU 376 CO -0.17 1.33 -0.10 0.22 0.09 0.00 0.00 178.44 179.81 3k57 h TYR 377 N 0.30 0.46 -0.64 1.13 3.20 -0.20 -3.39 116.97 117.84 3k57 h TYR 377 Ca -0.09 -0.12 0.09 0.00 3.14 0.00 0.00 58.73 61.75 3k57 h TYR 377 Cb 1.60 -0.10 -0.11 0.00 1.54 0.00 0.00 36.73 39.65 3k57 h TYR 377 CO 0.07 0.71 -0.44 0.74 -1.64 0.00 0.00 178.16 177.60 3k57 h PHE 378 N 0.08 -1.30 -1.00 -3.82 -1.00 -1.17 -0.56 116.94 108.17 3k57 h PHE 378 Ca 0.04 0.09 0.07 0.00 2.81 0.00 0.00 57.97 60.98 3k57 h PHE 378 Cb 0.59 0.66 -0.07 0.00 3.61 0.00 0.00 35.95 40.75 3k57 h PHE 378 CO 0.07 -0.42 0.64 -1.00 -1.61 0.00 0.00 178.31 175.99 3k57 h PRO 379 N -0.20 1.10 -0.16 1.51 0.13 -1.77 0.81 132.00 133.43 3k57 h PRO 379 Ca 0.19 -0.07 -0.18 0.00 -0.87 0.00 0.00 66.00 65.08 3k57 h PRO 379 Cb 0.56 -0.25 -0.00 0.00 0.13 0.00 0.00 31.00 31.44 3k57 h PRO 379 CO -0.73 0.73 -0.63 0.00 -0.23 0.00 0.00 178.00 177.14 3k57 h ARG 380 N 1.13 0.58 -0.46 0.86 3.08 -1.61 -1.76 114.38 116.20 3k57 h ARG 380 Ca 0.44 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3k57 h ARG 380 Cb 0.23 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3k57 h ARG 380 CO -0.19 1.03 0.19 1.98 -1.07 0.00 0.00 179.97 181.91 3k57 h MET 381 N 0.43 0.70 -0.63 0.04 4.05 -0.39 -1.51 114.93 117.61 3k57 h MET 381 Ca -0.01 -0.13 -0.08 0.00 -0.28 0.00 0.00 59.70 59.20 3k57 h MET 381 Cb 1.20 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.87 3k57 h MET 381 CO 0.12 0.63 0.07 0.45 0.23 0.00 0.00 176.91 178.41 3k57 h HIS 382 N 0.61 1.14 -0.31 1.39 3.86 -0.79 -1.65 115.15 119.39 3k57 h HIS 382 Ca 0.16 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3k57 h HIS 382 Cb 0.19 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 3k57 h HIS 382 CO 0.00 0.98 0.17 0.00 0.86 0.00 0.00 177.93 179.94 3k57 h ARG 383 N 0.98 0.43 0.00 2.45 2.47 -1.08 -0.15 114.38 119.48 3k57 h ARG 383 Ca 0.19 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 3k57 h ARG 383 Cb 0.47 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 3k57 h ARG 383 CO 0.02 0.32 0.00 0.00 0.56 0.00 0.00 179.97 180.87 3k57 n ALA 384 N -2.49 2.54 -0.33 0.04 0.00 -0.59 -4.90 120.51 114.78 3k57 n ALA 384 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3k57 n ALA 384 Cb 0.10 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3k57 n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k57 n GLY 385 N 1.02 0.80 3.22 0.00 0.00 -0.07 -5.04 105.19 105.12 3k57 n GLY 385 Ca 0.19 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 3k57 n GLY 385 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k57 s TYR 386 N -2.00 1.36 0.14 1.61 2.02 -0.67 -0.75 117.35 119.06 3k57 s TYR 386 Ca 0.00 -0.51 0.08 0.00 -0.37 0.00 0.00 57.07 56.28 3k57 s TYR 386 Cb 0.00 -0.73 -0.04 0.00 -0.40 0.00 0.00 41.96 40.79 3k57 s TYR 386 CO 0.00 0.11 -0.13 0.14 -1.57 0.00 0.00 175.55 174.11 3k57 s VAL 387 N -1.72 3.11 0.37 0.71 -7.23 -0.45 -3.26 120.40 111.93 3k57 s VAL 387 Ca 0.04 -1.51 -0.28 0.00 -1.81 0.00 0.00 61.98 58.43 3k57 s VAL 387 Cb -0.07 -2.48 -0.10 0.00 0.56 0.00 0.00 36.38 34.28 3k57 s VAL 387 CO 0.03 0.02 1.41 0.00 -0.31 0.00 0.00 175.10 176.25 3k57 s ALA 388 N -1.39 3.49 0.73 1.32 0.00 -1.26 -4.26 121.76 120.39 3k57 s ALA 388 Ca 0.22 1.44 -0.11 0.00 0.00 0.00 0.00 51.96 53.51 3k57 s ALA 388 Cb -0.10 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.49 3k57 s ALA 388 CO 0.13 -0.93 1.09 -1.25 0.00 0.00 0.00 175.76 174.80 3k57 s PRO 389 N -2.05 2.68 0.64 0.00 0.04 -1.26 -4.47 135.00 130.58 3k57 s PRO 389 Ca 0.53 0.58 0.01 0.00 0.04 0.00 0.00 61.00 62.16 3k57 s PRO 389 Cb -0.44 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.20 3k57 s PRO 389 CO 0.58 -1.18 0.89 -0.80 0.04 0.00 0.00 177.00 176.53 3k57 s ASN 390 N -4.16 4.78 0.59 6.66 0.02 -1.26 -4.76 114.94 116.81 3k57 s ASN 390 Ca 0.59 -0.29 -0.16 0.00 -1.02 0.00 0.00 52.86 51.98 3k57 s ASN 390 Cb -0.12 -0.30 -0.04 0.00 0.02 0.00 0.00 41.25 40.81 3k57 s ASN 390 CO 0.53 -1.54 1.06 -0.76 0.02 0.00 0.00 177.10 176.41 3k57 s LEU 391 N -4.95 3.49 0.00 0.60 1.43 -1.26 -3.85 118.68 114.14 3k57 s LEU 391 Ca 0.62 1.80 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 3k57 s LEU 391 Cb -0.07 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.62 3k57 s LEU 391 CO 0.41 -1.16 0.00 0.61 0.23 0.00 0.00 176.35 176.45 3k57 n GLY 392 N -1.03 0.71 0.07 -3.19 0.00 -1.26 -4.93 105.19 95.56 3k57 n GLY 392 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3k57 n GLY 392 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3k57 h GLU 393 N 2.20 0.00 -4.89 1.61 5.08 -1.92 -3.44 114.58 113.22 3k57 h GLU 393 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 3k57 h GLU 393 Cb 0.00 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 28.90 3k57 h GLU 393 CO 0.00 0.00 -0.85 0.08 -1.00 0.00 0.00 179.01 177.24 3k57 s VAL 394 N -3.17 1.78 0.31 3.13 1.01 -1.26 -5.10 120.40 117.10 3k57 s VAL 394 Ca 0.06 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 3k57 s VAL 394 Cb 0.13 -1.62 -0.12 0.00 0.00 0.00 0.00 36.38 34.77 3k57 s VAL 394 CO 0.71 0.49 1.39 -2.65 0.00 0.00 0.00 175.10 175.04 3k57 n PRO 395 N 4.49 2.25 -1.95 2.72 -0.02 -1.26 -4.92 135.00 136.30 3k57 n PRO 395 Ca -0.19 0.79 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 3k57 n PRO 395 Cb 0.51 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.53 3k57 n PRO 395 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3k57 s PRO 396 N -1.28 4.22 -0.28 0.52 0.02 -1.26 -4.86 135.00 132.08 3k57 s PRO 396 Ca 0.60 2.41 -0.15 0.00 0.02 0.00 0.00 61.00 63.87 3k57 s PRO 396 Cb -0.57 -3.02 0.09 0.00 0.02 0.00 0.00 34.50 31.02 3k57 s PRO 396 CO 0.57 -0.38 0.69 -1.58 -0.33 0.00 0.00 177.00 175.97 3k57 s HIS 397 N -1.05 -1.09 0.52 6.54 2.46 -1.26 -5.13 115.29 116.28 3k57 s HIS 397 Ca 0.52 2.14 -0.20 0.00 0.47 0.00 0.00 55.06 57.99 3k57 s HIS 397 Cb -0.43 0.65 -0.07 0.00 -0.13 0.00 0.00 32.58 32.60 3k57 s HIS 397 CO 0.57 -0.54 1.12 0.00 -2.47 0.00 0.00 174.74 173.42 3k57 s ALA 398 N 1.76 2.76 -0.02 1.58 0.00 -1.26 -4.75 121.76 121.84 3k57 s ALA 398 Ca -0.10 0.80 0.08 0.00 0.00 0.00 0.00 51.96 52.74 3k57 s ALA 398 Cb -0.06 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 3k57 s ALA 398 CO -0.20 -0.67 -0.26 -1.12 0.00 0.00 0.00 175.76 173.51 3k57 s SER 399 N -1.76 3.06 0.71 0.00 0.01 -1.26 -5.05 113.70 109.40 3k57 s SER 399 Ca 0.71 -0.48 -0.14 0.00 1.31 0.00 0.00 55.95 57.35 3k57 s SER 399 Cb -0.23 -0.34 0.03 0.00 0.21 0.00 0.00 66.02 65.69 3k57 s SER 399 CO 0.26 0.32 1.13 -2.16 0.41 0.00 0.00 173.24 173.20 3k57 s PRO 400 N -0.64 2.42 0.00 12.44 0.04 -1.26 -5.02 135.00 142.98 3k57 s PRO 400 Ca 0.10 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.60 3k57 s PRO 400 Cb -0.10 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3k57 s PRO 400 CO -0.01 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 175.88 3k57 n GLY 401 N -0.34 1.76 3.84 0.56 0.00 -1.26 -4.76 105.19 104.99 3k57 n GLY 401 Ca 0.11 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 3k57 n GLY 401 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k57 s GLY 402 N 0.00 1.70 -0.24 -0.02 0.00 -1.26 -4.82 107.32 102.69 3k57 s GLY 402 Ca 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 44.72 44.59 3k57 s GLY 402 CO 0.00 0.31 0.38 -0.47 0.00 0.00 0.00 173.10 173.33 3k57 s TYR 403 N -3.07 3.31 -0.28 1.90 5.04 -1.26 -4.84 117.35 118.15 3k57 s TYR 403 Ca 0.57 0.51 -0.05 0.00 -2.44 0.00 0.00 57.07 55.65 3k57 s TYR 403 Cb -0.13 -2.55 0.01 0.00 0.35 0.00 0.00 41.96 39.65 3k57 s TYR 403 CO 0.53 -0.12 0.04 0.08 -1.34 0.00 0.00 175.55 174.73 3k57 s VAL 404 N 1.70 3.66 0.46 3.14 1.01 -1.26 -0.25 120.40 128.85 3k57 s VAL 404 Ca 0.17 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 61.15 3k57 s VAL 404 Cb -0.15 -2.86 -0.08 0.00 0.00 0.00 0.00 36.38 33.29 3k57 s VAL 404 CO 0.09 0.14 1.42 -0.04 0.00 0.00 0.00 175.10 176.71 3k57 s MET 405 N 1.46 3.62 0.40 2.72 -1.94 0.03 -4.97 119.30 120.61 3k57 s MET 405 Ca 0.02 2.41 -0.25 0.00 -1.71 0.00 0.00 55.69 56.16 3k57 s MET 405 Cb -0.17 -2.61 -0.09 0.00 2.01 0.00 0.00 34.83 33.97 3k57 s MET 405 CO 0.00 -0.86 1.12 -0.51 -0.01 0.00 0.00 175.02 174.76 3k57 s ASP 406 N -0.54 6.63 0.11 3.03 1.01 -1.26 -4.56 116.67 121.10 3k57 s ASP 406 Ca 0.62 2.22 0.03 0.00 0.71 0.00 0.00 52.55 56.13 3k57 s ASP 406 Cb -0.44 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 40.85 3k57 s ASP 406 CO 0.56 -0.59 0.18 -0.94 0.21 0.00 0.00 175.17 174.59 3k57 s SER 407 N -1.30 5.94 -0.41 0.27 1.04 -1.26 -4.61 113.70 113.37 3k57 s SER 407 Ca 0.57 0.08 -0.16 0.00 0.48 0.00 0.00 55.95 56.92 3k57 s SER 407 Cb -0.27 -1.70 0.02 0.00 0.10 0.00 0.00 66.02 64.16 3k57 s SER 407 CO 0.34 0.12 0.34 -0.60 0.98 0.00 0.00 173.24 174.42 3k57 s ARG 408 N -2.81 3.03 0.67 4.02 3.52 -0.33 -4.07 118.95 122.99 3k57 s ARG 408 Ca 0.32 -0.92 -0.15 0.00 -0.13 0.00 0.00 55.73 54.86 3k57 s ARG 408 Cb -0.12 -3.97 0.01 0.00 -1.56 0.00 0.00 34.95 29.31 3k57 s ARG 408 CO 0.25 -0.77 1.11 -1.25 -0.81 0.00 0.00 175.30 173.84 3k57 s PRO 409 N 1.83 2.71 0.00 5.12 0.04 -1.26 -4.83 135.00 138.62 3k57 s PRO 409 Ca 0.07 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.50 3k57 s PRO 409 Cb -0.18 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3k57 s PRO 409 CO 0.11 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.24 3k57 n GLY 410 N -0.54 1.42 3.29 0.56 0.00 0.45 -4.96 105.19 105.41 3k57 n GLY 410 Ca 0.10 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 3k57 n GLY 410 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k57 s LEU 411 N 0.00 2.85 0.36 0.99 2.96 -1.26 -0.78 118.68 123.80 3k57 s LEU 411 Ca 0.00 -0.42 0.09 0.00 -0.22 0.00 0.00 54.13 53.58 3k57 s LEU 411 Cb 0.00 -1.72 -0.07 0.00 0.50 0.00 0.00 46.19 44.90 3k57 s LEU 411 CO 0.00 -0.02 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.65 3k57 s TYR 412 N 1.46 2.46 0.00 5.38 2.02 0.92 -4.99 117.35 124.60 3k57 s TYR 412 Ca 0.06 -0.53 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 3k57 s TYR 412 Cb -0.14 -1.51 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 3k57 s TYR 412 CO -0.04 0.53 0.00 -0.25 -1.57 0.00 0.00 175.55 174.22 3k57 n ASP 413 N -0.87 0.00 -4.68 2.29 8.00 -1.26 -1.35 116.55 118.67 3k57 n ASP 413 Ca -0.05 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.03 3k57 n ASP 413 Cb 0.64 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 3k57 n ASP 413 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3k57 s SER 414 N -1.00 6.91 -0.03 -2.24 0.01 -1.18 -2.65 113.70 113.51 3k57 s SER 414 Ca 0.00 1.99 0.01 0.00 1.31 0.00 0.00 55.95 59.26 3k57 s SER 414 Cb 0.00 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.69 3k57 s SER 414 CO 0.00 -0.70 -0.03 -0.69 0.41 0.00 0.00 173.24 172.23 3k57 s VAL 415 N 2.56 0.37 -0.00 3.43 1.01 -0.26 -2.39 120.40 125.12 3k57 s VAL 415 Ca 0.61 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.54 3k57 s VAL 415 Cb -0.29 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 3k57 s VAL 415 CO 0.24 0.17 0.04 -0.76 0.00 0.00 0.00 175.10 174.80 3k57 s LEU 416 N 0.79 3.71 -0.23 3.92 1.43 0.66 -0.27 118.68 128.69 3k57 s LEU 416 Ca -0.09 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.04 3k57 s LEU 416 Cb -0.12 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.95 3k57 s LEU 416 CO -0.01 0.27 -0.05 -0.69 0.23 0.00 0.00 176.35 176.11 3k57 s VAL 417 N -1.14 3.25 -0.18 -1.59 1.01 0.55 -0.33 120.40 121.97 3k57 s VAL 417 Ca 0.21 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 3k57 s VAL 417 Cb -0.12 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 3k57 s VAL 417 CO 0.12 0.37 -0.07 -0.76 0.00 0.00 0.00 175.10 174.76 3k57 s LEU 418 N 1.44 2.94 -0.05 3.92 1.43 -0.62 -1.27 118.68 126.48 3k57 s LEU 418 Ca 0.05 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3k57 s LEU 418 Cb -0.15 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.37 3k57 s LEU 418 CO -0.04 0.09 -0.07 -0.62 0.23 0.00 0.00 176.35 175.94 3k57 s ASP 419 N 0.84 1.15 0.48 2.29 2.15 -0.67 -0.99 116.67 121.93 3k57 s ASP 419 Ca -0.02 -0.18 -0.23 0.00 0.43 0.00 0.00 52.55 52.55 3k57 s ASP 419 Cb -0.15 -0.52 -0.07 0.00 -0.30 0.00 0.00 42.92 41.89 3k57 s ASP 419 CO 0.01 -0.01 1.26 -0.31 -0.17 0.00 0.00 175.17 175.95 3k57 s TYR 420 N 0.72 2.65 -0.15 -5.34 2.02 -0.51 -1.32 117.35 115.42 3k57 s TYR 420 Ca -0.11 1.45 -0.25 0.00 -0.37 0.00 0.00 57.07 57.79 3k57 s TYR 420 Cb -0.14 -3.59 -0.02 0.00 -0.40 0.00 0.00 41.96 37.82 3k57 s TYR 420 CO 0.01 -2.12 0.81 0.21 -1.57 0.00 0.00 175.55 172.89 3k57 s LYS 421 N -2.68 4.33 -1.08 -0.62 2.20 0.33 -4.23 119.74 117.98 3k57 s LYS 421 Ca 0.65 1.00 -0.25 0.00 -0.36 0.00 0.00 55.97 57.00 3k57 s LYS 421 Cb -0.35 -3.55 0.04 0.00 -1.51 0.00 0.00 37.83 32.46 3k57 s LYS 421 CO 0.42 -0.25 0.64 0.43 -0.36 0.00 0.00 175.35 176.23 3k57 n SER 422 N 4.92 -4.15 0.25 1.43 7.64 -1.26 -4.61 113.62 117.84 3k57 n SER 422 Ca 0.03 -1.19 -0.17 0.00 1.01 0.00 0.00 58.87 58.55 3k57 n SER 422 Cb 0.49 -1.54 -0.09 0.00 -1.01 0.00 0.00 64.21 62.07 3k57 n SER 422 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3k57 h LEU 423 N -1.91 -1.24 -0.97 -3.43 5.85 -1.96 0.16 115.31 111.80 3k57 h LEU 423 Ca -0.68 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.18 3k57 h LEU 423 Cb 1.37 0.42 -0.06 0.00 0.37 0.00 0.00 40.66 42.76 3k57 h LEU 423 CO 0.47 -0.60 0.64 1.88 -0.34 0.00 0.00 178.44 180.49 3k57 h TYR 424 N -0.88 1.20 -0.62 1.25 -1.99 -1.96 0.21 116.97 114.17 3k57 h TYR 424 Ca -0.04 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.64 3k57 h TYR 424 Cb 0.79 -0.40 -0.02 0.00 2.00 0.00 0.00 36.73 39.10 3k57 h TYR 424 CO -0.25 0.70 0.05 -1.35 -0.00 0.00 0.00 178.16 177.31 3k57 h PRO 425 N 1.24 1.05 -0.13 4.88 0.11 -1.82 -0.38 132.00 136.95 3k57 h PRO 425 Ca 0.38 -0.30 -0.08 0.00 0.11 0.00 0.00 66.00 66.12 3k57 h PRO 425 Cb -0.02 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 3k57 h PRO 425 CO -0.12 0.99 -0.27 0.66 -0.21 0.00 0.00 178.00 179.05 3k57 h SER 426 N 0.97 0.24 -0.34 -2.05 4.64 0.41 -0.54 113.55 116.87 3k57 h SER 426 Ca 0.18 -0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.31 3k57 h SER 426 Cb 0.48 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3k57 h SER 426 CO 0.02 0.52 -0.26 0.40 -0.87 0.00 0.00 176.83 176.64 3k57 h ILE 427 N 0.22 1.29 -0.47 0.95 2.04 -0.06 0.09 117.51 121.57 3k57 h ILE 427 Ca 0.03 -1.42 0.02 0.00 1.00 0.00 0.00 64.86 64.50 3k57 h ILE 427 Cb 0.60 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 3k57 h ILE 427 CO 0.04 0.46 0.28 0.40 0.00 0.00 0.00 178.15 179.34 3k57 h ILE 428 N 0.56 1.05 -0.18 -0.67 2.04 -0.56 0.14 117.51 119.90 3k57 h ILE 428 Ca 0.06 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 3k57 h ILE 428 Cb 0.83 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3k57 h ILE 428 CO 0.07 0.10 0.03 0.03 0.00 0.00 0.00 178.15 178.38 3k57 h ARG 429 N 0.56 0.31 -0.20 2.37 3.08 -0.93 -1.82 114.38 117.75 3k57 h ARG 429 Ca 0.19 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 3k57 h ARG 429 Cb 0.01 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 3k57 h ARG 429 CO -0.08 0.48 -0.14 1.15 -1.07 0.00 0.00 179.97 180.31 3k57 h THR 430 N 0.09 1.32 -0.68 2.04 2.02 -0.78 -3.29 112.91 113.63 3k57 h THR 430 Ca 0.06 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.99 3k57 h THR 430 Cb 0.32 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3k57 h THR 430 CO 0.00 0.38 0.00 0.49 0.37 0.00 0.00 175.52 176.76 3k57 n PHE 431 N -4.51 1.07 -3.90 3.16 3.72 0.48 -4.60 117.46 112.88 3k57 n PHE 431 Ca -0.05 -0.50 -0.29 0.00 -0.05 0.00 0.00 57.45 56.57 3k57 n PHE 431 Cb 0.36 -0.06 0.02 0.00 -0.94 0.00 0.00 39.48 38.86 3k57 n PHE 431 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3k57 n LEU 432 N 1.42 -2.59 -4.69 4.37 4.77 -0.70 -4.90 117.00 114.68 3k57 n LEU 432 Ca 0.24 -0.81 -0.42 0.00 -0.03 0.00 0.00 56.01 54.99 3k57 n LEU 432 Cb 0.66 -2.54 -0.03 0.00 -2.33 0.00 0.00 43.42 39.19 3k57 n LEU 432 CO 0.18 0.45 1.13 -0.63 -1.33 0.00 0.00 177.39 177.19 3k57 s ILE 433 N -3.39 3.72 -0.25 -0.08 -1.09 -1.11 -4.75 121.20 114.24 3k57 s ILE 433 Ca 0.52 1.08 -0.26 0.00 -2.23 0.00 0.00 60.65 59.77 3k57 s ILE 433 Cb -0.26 -3.70 0.11 0.00 -1.58 0.00 0.00 42.46 37.02 3k57 s ILE 433 CO 0.83 -0.01 0.92 -0.62 -1.23 0.00 0.00 174.94 174.84 3k57 s ASP 434 N 1.97 -0.54 0.09 3.58 2.15 -1.26 -4.48 116.67 118.19 3k57 s ASP 434 Ca 0.64 0.98 -0.23 0.00 0.43 0.00 0.00 52.55 54.36 3k57 s ASP 434 Cb -0.31 0.97 -0.14 0.00 -0.30 0.00 0.00 42.92 43.14 3k57 s ASP 434 CO 0.26 -0.22 1.73 -0.65 -0.17 0.00 0.00 175.17 176.12 3k57 h PRO 435 N 4.20 -0.07 -0.70 4.34 0.11 -1.93 0.17 132.00 138.12 3k57 h PRO 435 Ca -0.27 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.78 3k57 h PRO 435 Cb 1.17 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3k57 h PRO 435 CO 0.13 -0.05 0.20 0.28 -0.21 0.00 0.00 178.00 178.34 3k57 h VAL 436 N -0.07 1.26 -1.00 3.15 2.07 -1.97 -2.71 116.25 116.98 3k57 h VAL 436 Ca 0.00 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.63 3k57 h VAL 436 Cb 0.07 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 3k57 h VAL 436 CO -0.01 0.36 0.66 1.23 0.02 0.00 0.00 177.57 179.82 3k57 h GLY 437 N 1.03 1.44 1.04 2.17 0.00 -1.56 -1.02 103.07 106.17 3k57 h GLY 437 Ca 0.22 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 3k57 h GLY 437 CO -0.00 0.46 0.21 -2.00 0.00 0.00 0.00 176.54 175.20 3k57 h LEU 438 N 1.30 1.02 -0.09 3.11 5.85 -0.41 0.63 115.31 126.73 3k57 h LEU 438 Ca 0.39 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3k57 h LEU 438 Cb -0.06 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.70 3k57 h LEU 438 CO -0.11 0.96 0.04 0.58 -0.34 0.00 0.00 178.44 179.58 3k57 h VAL 439 N 1.02 1.11 -0.42 1.05 2.07 -1.03 -0.73 116.25 119.32 3k57 h VAL 439 Ca 0.22 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.32 3k57 h VAL 439 Cb 0.32 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3k57 h VAL 439 CO -0.00 0.09 -0.18 -0.33 0.02 0.00 0.00 177.57 177.17 3k57 h GLU 440 N 0.02 0.82 -0.22 1.57 4.39 -1.08 -3.01 114.58 117.07 3k57 h GLU 440 Ca 0.03 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3k57 h GLU 440 Cb 0.11 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3k57 h GLU 440 CO -0.00 0.94 0.14 0.78 -1.16 0.00 0.00 179.01 179.70 3k57 h GLY 441 N 0.96 0.31 2.00 -3.84 0.00 0.52 -2.43 103.07 100.60 3k57 h GLY 441 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 3k57 h GLY 441 CO 0.05 0.12 -0.13 -0.33 0.00 0.00 0.00 176.54 176.25 3k57 h MET 442 N 0.28 0.00 0.00 4.80 2.86 -1.16 -1.34 114.93 120.37 3k57 h MET 442 Ca 0.08 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 3k57 h MET 442 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3k57 h MET 442 CO -0.02 0.13 -0.39 0.00 1.06 0.00 0.00 176.91 177.70 3k57 h ALA 443 N 1.87 0.97 -2.04 6.32 0.00 -1.30 -3.33 119.26 121.74 3k57 h ALA 443 Ca -0.00 -0.35 -0.56 0.00 0.00 0.00 0.00 54.91 53.99 3k57 h ALA 443 Cb 0.43 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 17.77 3k57 h ALA 443 CO 0.02 0.48 -1.09 1.04 0.00 0.00 0.00 179.25 179.70 3k57 n GLN 444 N -3.51 0.67 -0.87 0.00 6.02 -0.66 -5.03 117.38 113.99 3k57 n GLN 444 Ca -0.00 -3.23 -0.22 0.00 -0.01 0.00 0.00 57.00 53.54 3k57 n GLN 444 Cb 0.52 -1.26 -0.05 0.00 1.02 0.00 0.00 30.24 30.47 3k57 n GLN 444 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3k57 n PRO 445 N 1.55 2.31 -4.11 -1.09 -0.04 -0.60 -4.17 135.00 128.85 3k57 n PRO 445 Ca 0.22 -1.44 -0.14 0.00 -0.04 0.00 0.00 63.50 62.10 3k57 n PRO 445 Cb 0.52 -2.37 -0.11 0.00 -0.04 0.00 0.00 33.50 31.50 3k57 n PRO 445 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3k57 s ASP 446 N 2.78 1.17 0.58 3.54 1.47 -1.26 -5.02 116.67 119.92 3k57 s ASP 446 Ca 0.49 -0.63 0.28 0.00 1.18 0.00 0.00 52.55 53.88 3k57 s ASP 446 Cb 0.16 0.01 1.50 0.00 -0.34 0.00 0.00 42.92 44.25 3k57 s ASP 446 CO -0.03 -0.20 1.94 1.55 0.68 0.00 0.00 175.17 179.12 3k57 h PRO 447 N 4.22 0.00 -0.28 2.11 0.13 -1.89 0.68 132.00 136.97 3k57 h PRO 447 Ca -0.37 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.68 3k57 h PRO 447 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3k57 h PRO 447 CO 0.44 0.00 -0.12 1.49 -0.23 0.00 0.00 178.00 179.57 3k57 h GLU 448 N 0.00 0.58 0.00 0.86 4.81 -1.96 -3.33 114.58 115.54 3k57 h GLU 448 Ca 0.21 -0.25 -0.24 0.00 -0.13 0.00 0.00 59.36 58.96 3k57 h GLU 448 Cb 1.08 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 3k57 h GLU 448 CO -0.00 0.81 -1.81 0.72 -0.73 0.00 0.00 179.01 178.00 3k57 n HIS 449 N -4.44 0.63 -4.30 0.92 8.25 -0.85 -4.96 115.22 110.46 3k57 n HIS 449 Ca -0.03 0.22 -0.16 0.00 -0.26 0.00 0.00 57.72 57.48 3k57 n HIS 449 Cb 0.36 -1.03 -0.10 0.00 1.12 0.00 0.00 29.99 30.33 3k57 n HIS 449 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3k57 s SER 450 N -5.65 1.05 0.01 0.41 0.01 0.18 -1.07 113.70 108.62 3k57 s SER 450 Ca -0.06 -1.42 0.08 0.00 1.31 0.00 0.00 55.95 55.87 3k57 s SER 450 Cb 0.08 0.25 -0.02 0.00 0.21 0.00 0.00 66.02 66.54 3k57 s SER 450 CO 0.83 -0.78 -0.25 0.28 0.41 0.00 0.00 173.24 173.72 3k57 s THR 451 N -3.81 2.15 0.30 1.44 -1.32 0.25 -3.97 115.64 110.69 3k57 s THR 451 Ca 0.38 -1.21 -0.28 0.00 -1.21 0.00 0.00 61.69 59.36 3k57 s THR 451 Cb 0.07 -1.79 -0.09 0.00 -1.51 0.00 0.00 72.50 69.18 3k57 s THR 451 CO 0.14 0.49 1.10 -0.70 -2.21 0.00 0.00 174.62 173.44 3k57 s GLU 452 N -0.89 4.54 0.00 7.08 2.12 -1.26 -0.53 118.70 129.75 3k57 s GLU 452 Ca 0.11 1.77 0.00 0.00 0.36 0.00 0.00 54.97 57.21 3k57 s GLU 452 Cb -0.10 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.22 3k57 s GLU 452 CO 0.00 0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.26 3k57 n GLY 453 N 1.04 4.34 3.72 -1.50 0.00 0.85 -4.90 105.19 108.75 3k57 n GLY 453 Ca 0.00 -1.82 -0.26 0.00 0.00 0.00 0.00 46.02 43.94 3k57 n GLY 453 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k57 s PHE 454 N 2.34 2.45 -1.44 1.61 0.08 -1.26 -4.56 117.98 117.20 3k57 s PHE 454 Ca 0.00 -0.66 -0.05 0.00 0.12 0.00 0.00 56.93 56.34 3k57 s PHE 454 Cb 0.00 -1.88 0.02 0.00 -0.57 0.00 0.00 43.02 40.59 3k57 s PHE 454 CO 0.00 0.21 0.44 1.28 -0.10 0.00 0.00 175.22 177.05 3k57 n LEU 455 N -1.21 -2.08 -0.61 -0.37 4.32 -1.26 -1.41 117.00 114.37 3k57 n LEU 455 Ca -0.04 -0.23 -0.08 0.00 -0.02 0.00 0.00 56.01 55.64 3k57 n LEU 455 Cb 0.65 -2.62 -0.03 0.00 -1.62 0.00 0.00 43.42 39.80 3k57 n LEU 455 CO 0.45 0.12 -0.08 0.47 -1.22 0.00 0.00 177.39 177.14 3k57 n ASP 456 N -2.32 -4.38 -4.79 -1.43 8.00 -1.26 -4.94 116.55 105.43 3k57 n ASP 456 Ca -0.10 0.20 -0.36 0.00 0.71 0.00 0.00 54.79 55.23 3k57 n ASP 456 Cb 0.60 -2.58 -0.06 0.00 -0.02 0.00 0.00 41.12 39.06 3k57 n ASP 456 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k57 s ALA 457 N -2.15 3.21 -0.02 2.24 0.00 -0.50 -4.95 121.76 119.58 3k57 s ALA 457 Ca 0.00 0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.47 3k57 s ALA 457 Cb 0.00 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 3k57 s ALA 457 CO 0.00 0.18 -0.12 -1.58 0.00 0.00 0.00 175.76 174.24 3k57 s TRP 458 N -1.68 1.14 -0.10 0.00 0.52 -1.26 -0.10 118.94 117.46 3k57 s TRP 458 Ca 0.51 -0.25 0.03 0.00 0.02 0.00 0.00 56.10 56.41 3k57 s TRP 458 Cb -0.17 -0.76 -0.01 0.00 -1.15 0.00 0.00 33.47 31.38 3k57 s TRP 458 CO 0.22 -0.06 -0.19 -0.06 0.02 0.00 0.00 176.95 176.89 3k57 s PHE 459 N -0.13 2.65 0.28 -1.98 0.08 0.31 -3.52 117.98 115.68 3k57 s PHE 459 Ca 0.02 -0.72 -0.30 0.00 0.12 0.00 0.00 56.93 56.04 3k57 s PHE 459 Cb -0.07 -1.73 -0.12 0.00 -0.57 0.00 0.00 43.02 40.53 3k57 s PHE 459 CO 0.00 -0.23 1.57 0.45 -0.10 0.00 0.00 175.22 176.92 3k57 n SER 460 N 3.27 3.72 0.09 1.36 2.88 -0.52 -0.58 113.62 123.85 3k57 n SER 460 Ca -0.18 1.14 -0.08 0.00 -1.33 0.00 0.00 58.87 58.43 3k57 n SER 460 Cb 0.53 -1.57 -0.00 0.00 -0.75 0.00 0.00 64.21 62.41 3k57 n SER 460 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3k57 h ARG 461 N 4.75 0.14 0.00 -1.46 3.08 -1.43 -3.38 114.38 116.08 3k57 h ARG 461 Ca -0.47 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.42 3k57 h ARG 461 Cb 1.23 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3k57 h ARG 461 CO 0.79 0.92 -1.71 0.39 -1.07 0.00 0.00 179.97 179.29 3k57 n GLU 462 N -3.63 0.59 -4.01 0.04 -0.58 -1.26 -4.90 120.64 106.89 3k57 n GLU 462 Ca -0.03 -0.15 -0.31 0.00 -0.42 0.00 0.00 57.16 56.25 3k57 n GLU 462 Cb 0.81 -1.40 -0.15 0.00 -0.57 0.00 0.00 31.44 30.12 3k57 n GLU 462 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3k57 s LYS 463 N -3.15 1.89 0.11 3.49 2.20 -1.26 -5.08 119.74 117.94 3k57 s LYS 463 Ca -0.05 -1.33 -0.25 0.00 -0.36 0.00 0.00 55.97 53.97 3k57 s LYS 463 Cb 0.11 -2.83 0.08 0.00 -1.51 0.00 0.00 37.83 33.68 3k57 s LYS 463 CO 0.71 -0.65 0.75 -3.38 -0.36 0.00 0.00 175.35 172.42 3k57 s HIS 464 N 1.17 -0.40 0.00 4.03 -3.43 -1.26 -3.75 115.29 111.64 3k57 s HIS 464 Ca -0.04 0.19 0.00 0.00 -0.80 0.00 0.00 55.06 54.41 3k57 s HIS 464 Cb -0.19 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.53 3k57 s HIS 464 CO -0.07 -0.76 0.00 0.00 -2.00 0.00 0.00 174.74 171.91 3k57 h LEU 466 N 0.00 0.94 -0.58 0.00 5.85 -1.97 -2.53 115.31 117.01 3k57 h LEU 466 Ca 0.00 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3k57 h LEU 466 Cb 0.69 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3k57 h LEU 466 CO 0.00 0.68 0.33 -0.65 -0.34 0.00 0.00 178.44 178.46 3k57 h PRO 467 N 1.11 0.62 -0.61 5.25 0.11 -1.83 -0.70 132.00 135.95 3k57 h PRO 467 Ca 0.30 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.33 3k57 h PRO 467 Cb -0.13 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 30.82 3k57 h PRO 467 CO -0.07 0.41 0.20 0.93 -0.21 0.00 0.00 178.00 179.26 3k57 h GLU 468 N 0.64 0.94 -0.17 1.05 3.07 -1.80 -0.81 114.58 117.49 3k57 h GLU 468 Ca 0.25 -0.20 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3k57 h GLU 468 Cb 0.10 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 3k57 h GLU 468 CO -0.14 0.83 0.10 0.82 -1.40 0.00 0.00 179.01 179.22 3k57 h ILE 469 N 0.87 1.08 -0.76 3.13 2.04 -1.05 -1.44 117.51 121.38 3k57 h ILE 469 Ca 0.20 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3k57 h ILE 469 Cb 0.28 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 3k57 h ILE 469 CO -0.01 0.08 0.38 0.58 0.00 0.00 0.00 178.15 179.18 3k57 h VAL 470 N 0.19 1.24 -0.68 1.67 2.07 -1.01 -2.03 116.25 117.70 3k57 h VAL 470 Ca 0.06 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 3k57 h VAL 470 Cb 0.03 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3k57 h VAL 470 CO -0.01 0.28 0.36 0.74 0.02 0.00 0.00 177.57 178.96 3k57 h THR 471 N 1.06 1.22 -0.73 2.57 2.02 -0.88 0.90 112.91 119.07 3k57 h THR 471 Ca 0.26 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 3k57 h THR 471 Cb 0.09 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 3k57 h THR 471 CO -0.04 0.24 0.41 -1.13 0.37 0.00 0.00 175.52 175.38 3k57 h ASN 472 N 0.94 0.91 -0.08 4.18 -1.24 -0.92 -1.69 115.58 117.68 3k57 h ASN 472 Ca 0.24 -0.09 -0.14 0.00 0.71 0.00 0.00 56.30 57.02 3k57 h ASN 472 Cb 0.06 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.87 3k57 h ASN 472 CO -0.04 0.74 -0.42 0.40 -1.29 0.00 0.00 177.43 176.82 3k57 h ILE 473 N 1.01 1.30 -0.50 2.57 2.04 -0.89 -2.57 117.51 120.48 3k57 h ILE 473 Ca 0.26 -1.60 0.07 0.00 1.00 0.00 0.00 64.86 64.59 3k57 h ILE 473 Cb 0.02 1.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 3k57 h ILE 473 CO -0.04 0.51 0.17 -0.25 0.00 0.00 0.00 178.15 178.54 3k57 h TRP 474 N 0.50 0.30 -0.42 1.37 2.91 -0.38 0.21 115.95 120.44 3k57 h TRP 474 Ca 0.04 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.06 3k57 h TRP 474 Cb 0.94 -0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 29.51 3k57 h TRP 474 CO 0.04 0.09 0.17 0.45 -1.03 0.00 0.00 178.44 178.16 3k57 h HIS 475 N 0.35 0.60 -0.59 2.65 3.86 -1.15 0.29 115.15 121.15 3k57 h HIS 475 Ca 0.24 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.37 3k57 h HIS 475 Cb 0.26 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 3k57 h HIS 475 CO -0.17 0.47 0.13 0.78 0.86 0.00 0.00 177.93 180.00 3k57 h GLY 476 N 0.75 1.03 1.70 2.45 0.00 -0.36 -1.73 103.07 106.91 3k57 h GLY 476 Ca 0.15 -0.66 -0.09 0.00 0.00 0.00 0.00 47.33 46.73 3k57 h GLY 476 CO -0.01 0.61 -0.27 -0.09 0.00 0.00 0.00 176.54 176.78 3k57 h ARG 477 N 0.86 0.35 -0.69 4.80 2.43 0.47 -1.58 114.38 121.01 3k57 h ARG 477 Ca 0.18 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3k57 h ARG 477 Cb 0.37 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 3k57 h ARG 477 CO 0.01 0.59 0.28 -0.44 -1.51 0.00 0.00 179.97 178.89 3k57 h ASP 478 N 0.31 0.95 -0.44 -3.80 3.32 -0.51 -0.72 116.42 115.54 3k57 h ASP 478 Ca 0.05 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 56.80 3k57 h ASP 478 Cb 0.64 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3k57 h ASP 478 CO 0.05 0.86 -0.23 -0.08 -1.72 0.00 0.00 179.24 178.12 3k57 h GLU 479 N 0.98 0.93 -0.70 3.56 4.57 -0.98 -0.27 114.58 122.66 3k57 h GLU 479 Ca 0.23 -0.42 -0.04 0.00 -1.18 0.00 0.00 59.36 57.96 3k57 h GLU 479 Cb 0.21 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 3k57 h GLU 479 CO -0.02 1.07 0.29 0.00 -1.18 0.00 0.00 179.01 179.18 3k57 h ALA 480 N 0.83 1.20 -0.44 2.92 0.00 -1.08 0.39 119.26 123.08 3k57 h ALA 480 Ca 0.10 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3k57 h ALA 480 Cb 0.81 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3k57 h ALA 480 CO 0.07 0.59 -0.10 0.87 0.00 0.00 0.00 179.25 180.67 3k57 h LYS 481 N 1.01 0.85 -0.65 0.00 1.57 -0.95 -0.03 116.57 118.37 3k57 h LYS 481 Ca 0.24 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3k57 h LYS 481 Cb 0.17 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3k57 h LYS 481 CO -0.02 0.96 0.41 -0.09 -0.57 0.00 0.00 179.45 180.13 3k57 h ARG 482 N 0.69 0.87 -0.02 3.15 2.43 -0.14 -1.88 114.38 119.48 3k57 h ARG 482 Ca 0.11 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3k57 h ARG 482 Cb 0.64 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3k57 h ARG 482 CO 0.04 0.60 0.00 1.04 -1.51 0.00 0.00 179.97 180.14 3k57 n GLN 483 N -4.42 1.48 -1.13 0.20 6.02 0.04 -4.92 117.38 114.65 3k57 n GLN 483 Ca 0.07 -0.69 -0.04 0.00 -0.01 0.00 0.00 57.00 56.32 3k57 n GLN 483 Cb 0.06 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 29.83 3k57 n GLN 483 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k57 n GLY 484 N 1.11 0.72 3.44 1.08 0.00 -0.71 -4.96 105.19 105.87 3k57 n GLY 484 Ca 0.20 -0.77 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 3k57 n GLY 484 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k57 s ASN 485 N -2.86 6.78 0.14 1.61 3.84 -0.07 -4.87 114.94 119.51 3k57 s ASN 485 Ca 0.00 -2.41 -0.14 0.00 0.21 0.00 0.00 52.86 50.51 3k57 s ASN 485 Cb 0.00 -2.37 0.01 0.00 -0.55 0.00 0.00 41.25 38.34 3k57 s ASN 485 CO 0.00 -0.90 1.65 0.11 -2.79 0.00 0.00 177.10 175.17 3k57 h LYS 486 N 8.22 0.71 -0.37 0.43 1.57 -1.93 -1.72 116.57 123.48 3k57 h LYS 486 Ca 0.19 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3k57 h LYS 486 Cb 0.98 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 3k57 h LYS 486 CO 1.10 0.70 0.18 -1.35 -0.57 0.00 0.00 179.45 179.51 3k57 h PRO 487 N 0.60 0.36 -0.65 3.15 0.11 -1.89 -0.95 132.00 132.72 3k57 h PRO 487 Ca 0.14 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.19 3k57 h PRO 487 Cb 0.29 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.29 3k57 h PRO 487 CO -0.00 0.24 0.23 1.25 -0.21 0.00 0.00 178.00 179.51 3k57 h LEU 488 N 0.37 0.92 -0.45 2.35 5.85 -1.90 -0.90 115.31 121.56 3k57 h LEU 488 Ca 0.16 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3k57 h LEU 488 Cb 0.07 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3k57 h LEU 488 CO -0.11 0.86 0.29 -1.28 -0.34 0.00 0.00 178.44 177.86 3k57 h SER 489 N 0.93 0.52 -0.81 1.25 0.87 -0.96 -0.75 113.55 114.60 3k57 h SER 489 Ca 0.21 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 3k57 h SER 489 Cb 0.25 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 3k57 h SER 489 CO -0.01 0.39 0.38 -0.61 -0.53 0.00 0.00 176.83 176.45 3k57 h GLN 490 N 0.60 1.17 -0.60 2.24 5.75 -0.95 -1.58 115.11 121.74 3k57 h GLN 490 Ca 0.16 -0.17 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 3k57 h GLN 490 Cb -0.05 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.26 3k57 h GLN 490 CO -0.03 0.90 0.15 0.00 -2.65 0.00 0.00 178.83 177.20 3k57 h ALA 491 N 1.26 0.79 -0.09 3.38 0.00 -0.55 -1.70 119.26 122.35 3k57 h ALA 491 Ca 0.28 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3k57 h ALA 491 Cb 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3k57 h ALA 491 CO -0.03 0.50 -0.55 -0.07 0.00 0.00 0.00 179.25 179.10 3k57 h LEU 492 N 0.87 0.29 -0.41 0.00 3.38 -0.89 -1.41 115.31 117.13 3k57 h LEU 492 Ca 0.19 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3k57 h LEU 492 Cb 0.34 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3k57 h LEU 492 CO 0.00 0.78 0.11 0.50 0.09 0.00 0.00 178.44 179.92 3k57 h LYS 493 N 0.20 0.66 -0.50 1.13 3.64 -1.07 -1.60 116.57 119.03 3k57 h LYS 493 Ca 0.00 -0.15 -0.13 0.00 -1.27 0.00 0.00 60.65 59.10 3k57 h LYS 493 Cb 1.02 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 3k57 h LYS 493 CO 0.09 0.67 -0.19 0.82 -2.27 0.00 0.00 179.45 178.57 3k57 h ILE 494 N 0.53 1.27 -0.77 2.00 2.04 -1.19 -0.59 117.51 120.80 3k57 h ILE 494 Ca 0.13 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.65 3k57 h ILE 494 Cb 0.30 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3k57 h ILE 494 CO -0.00 0.47 0.49 0.40 0.00 0.00 0.00 178.15 179.51 3k57 h ILE 495 N 0.87 1.20 -0.46 -0.67 2.04 -1.14 0.27 117.51 119.62 3k57 h ILE 495 Ca 0.12 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 3k57 h ILE 495 Cb 0.76 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3k57 h ILE 495 CO 0.06 0.20 -0.02 0.24 0.00 0.00 0.00 178.15 178.64 3k57 h MET 496 N 1.04 0.83 -0.15 2.37 2.86 -1.03 -2.44 114.93 118.42 3k57 h MET 496 Ca 0.28 -0.27 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 3k57 h MET 496 Cb -0.09 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 3k57 h MET 496 CO -0.06 0.89 -0.31 -0.91 1.06 0.00 0.00 176.91 177.59 3k57 h ASN 497 N 0.68 0.29 0.51 1.22 2.35 -0.71 -2.39 115.58 117.52 3k57 h ASN 497 Ca 0.13 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 3k57 h ASN 497 Cb 0.53 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 3k57 h ASN 497 CO 0.03 0.59 -0.14 0.00 -1.65 0.00 0.00 177.43 176.26 3k57 h ALA 498 N 1.43 1.20 0.00 -0.83 0.00 -0.21 -1.32 119.26 119.53 3k57 h ALA 498 Ca 0.03 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3k57 h ALA 498 Cb 0.67 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3k57 h ALA 498 CO 0.05 0.18 -0.34 0.74 0.00 0.00 0.00 179.25 179.88 3k57 h PHE 499 N 0.00 0.00 -0.00 0.00 -1.00 -0.95 0.12 116.94 115.11 3k57 h PHE 499 Ca -0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 3k57 h PHE 499 Cb 0.43 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.00 3k57 h PHE 499 CO 0.00 0.34 -0.09 -0.92 -1.61 0.00 0.00 178.31 176.02 3k57 h TYR 500 N 0.00 0.10 -0.43 -0.55 3.20 -1.33 -3.35 116.97 114.62 3k57 h TYR 500 Ca -0.00 -0.05 0.08 0.00 3.14 0.00 0.00 58.73 61.90 3k57 h TYR 500 Cb 0.71 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.89 3k57 h TYR 500 CO 0.00 0.82 -0.07 0.78 -1.64 0.00 0.00 178.16 178.05 3k57 h GLY 501 N -0.64 0.35 1.94 1.82 0.00 -0.70 -1.87 103.07 103.97 3k57 h GLY 501 Ca -0.01 0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.44 3k57 h GLY 501 CO 0.02 -0.15 0.02 -0.39 0.00 0.00 0.00 176.54 176.05 3k57 h VAL 502 N 0.03 0.41 0.00 4.60 -1.51 -0.93 -0.15 116.25 118.70 3k57 h VAL 502 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.68 3k57 h VAL 502 Cb 0.31 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 3k57 h VAL 502 CO -0.41 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.11 3k57 n LEU 503 N -3.67 0.00 -0.77 4.19 4.77 -0.70 -2.80 117.00 118.02 3k57 n LEU 503 Ca -0.03 0.39 0.08 0.00 -0.03 0.00 0.00 56.01 56.43 3k57 n LEU 503 Cb 0.11 -0.39 0.13 0.00 -2.33 0.00 0.00 43.42 40.93 3k57 n LEU 503 CO 0.26 -0.07 0.58 0.61 -1.33 0.00 0.00 177.39 177.43 3k57 n GLY 504 N 0.89 1.08 3.24 -0.72 0.00 -0.07 -2.16 105.19 107.45 3k57 n GLY 504 Ca 0.09 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 3k57 n GLY 504 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3k57 s THR 505 N -1.26 2.01 0.23 2.61 -1.32 -1.12 -4.97 115.64 111.83 3k57 s THR 505 Ca 0.25 -1.03 0.35 0.00 -1.21 0.00 0.00 61.69 60.05 3k57 s THR 505 Cb 0.15 -1.72 0.37 0.00 -1.51 0.00 0.00 72.50 69.79 3k57 s THR 505 CO 0.22 0.56 2.06 0.71 -2.21 0.00 0.00 174.62 175.96 3k57 h THR 506 N 5.30 0.00 0.00 5.08 1.35 -1.92 -0.78 112.91 121.93 3k57 h THR 506 Ca -0.27 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3k57 h THR 506 Cb 1.20 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3k57 h THR 506 CO 0.47 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.74 3k57 h ALA 507 N 2.03 1.00 -3.04 6.62 0.00 -1.95 -3.41 119.26 120.51 3k57 h ALA 507 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 3k57 h ALA 507 Cb 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.85 3k57 h ALA 507 CO 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 179.25 178.77 3k57 h ARG 509 N 6.06 0.00 -0.42 0.00 0.11 -1.85 -2.07 114.38 116.21 3k57 h ARG 509 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 3k57 h ARG 509 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3k57 h ARG 509 CO 0.70 0.03 0.00 1.19 0.10 0.00 0.00 179.97 181.98 3k57 n PHE 510 N -3.41 0.55 -1.69 4.08 3.72 -1.26 -4.54 117.46 114.90 3k57 n PHE 510 Ca -0.02 -0.28 -0.44 0.00 -0.05 0.00 0.00 57.45 56.66 3k57 n PHE 510 Cb 0.13 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 3k57 n PHE 510 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3k57 n PHE 511 N 0.81 2.40 -3.58 1.38 7.35 -0.78 -4.85 117.46 120.19 3k57 n PHE 511 Ca 0.16 0.34 -0.02 0.00 -0.76 0.00 0.00 57.45 57.17 3k57 n PHE 511 Cb 0.39 -2.52 -0.05 0.00 0.35 0.00 0.00 39.48 37.65 3k57 n PHE 511 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3k57 s ASP 512 N 0.47 -0.80 0.41 -2.13 -1.08 -0.92 -4.70 116.67 107.92 3k57 s ASP 512 Ca 0.69 1.17 0.13 0.00 -0.52 0.00 0.00 52.55 54.01 3k57 s ASP 512 Cb -0.60 1.68 0.97 0.00 -1.46 0.00 0.00 42.92 43.51 3k57 s ASP 512 CO 0.47 -0.17 1.94 -0.65 0.52 0.00 0.00 175.17 177.27 3k57 h PRO 513 N 7.21 0.48 -0.60 4.34 0.11 -1.85 0.42 132.00 142.10 3k57 h PRO 513 Ca -0.22 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.83 3k57 h PRO 513 Cb 1.15 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3k57 h PRO 513 CO 0.13 0.32 0.26 0.00 -0.21 0.00 0.00 178.00 178.49 3k57 h ARG 514 N 0.49 0.86 0.05 1.05 3.08 -1.92 0.45 114.38 118.45 3k57 h ARG 514 Ca 0.34 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 3k57 h ARG 514 Cb 0.66 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3k57 h ARG 514 CO -0.11 0.69 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.38 3k57 h LEU 515 N 0.85 -0.06 -0.35 3.04 3.38 -1.23 -1.83 115.31 119.12 3k57 h LEU 515 Ca 0.21 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3k57 h LEU 515 Cb 0.14 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3k57 h LEU 515 CO -0.02 0.39 0.05 0.00 0.09 0.00 0.00 178.44 178.95 3k57 h ALA 516 N 0.40 0.46 -0.28 1.53 0.00 -1.39 -2.87 119.26 117.11 3k57 h ALA 516 Ca -0.01 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3k57 h ALA 516 Cb 0.46 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3k57 h ALA 516 CO 0.01 0.17 -0.12 0.77 0.00 0.00 0.00 179.25 180.09 3k57 h SER 517 N 0.41 0.44 0.32 0.00 0.02 -0.99 0.11 113.55 113.87 3k57 h SER 517 Ca 0.10 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3k57 h SER 517 Cb 0.37 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3k57 h SER 517 CO 0.01 0.60 -0.20 0.28 -1.14 0.00 0.00 176.83 176.37 3k57 h SER 518 N 0.43 0.00 0.00 3.07 0.02 -1.22 0.35 113.55 116.20 3k57 h SER 518 Ca 0.08 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3k57 h SER 518 Cb 0.46 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 3k57 h SER 518 CO 0.03 0.20 -0.11 0.40 -1.14 0.00 0.00 176.83 176.20 3k57 h ILE 519 N 0.00 0.46 -0.60 3.27 2.04 -1.04 -3.28 117.51 118.37 3k57 h ILE 519 Ca -0.00 -1.37 -0.06 0.00 1.00 0.00 0.00 64.86 64.43 3k57 h ILE 519 Cb 0.41 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3k57 h ILE 519 CO 0.03 0.16 0.15 0.71 0.00 0.00 0.00 178.15 179.19 3k57 h THR 520 N -1.00 1.24 0.00 -0.27 1.35 -0.93 -2.19 112.91 111.11 3k57 h THR 520 Ca -0.02 -0.86 -0.09 0.00 -0.55 0.00 0.00 66.41 64.90 3k57 h THR 520 Cb 0.35 0.62 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 3k57 h THR 520 CO -0.01 0.32 -0.41 0.24 -0.25 0.00 0.00 175.52 175.41 3k57 h MET 521 N 0.89 0.00 -0.14 4.72 2.86 -0.49 -1.74 114.93 121.03 3k57 h MET 521 Ca 0.19 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.71 3k57 h MET 521 Cb 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3k57 h MET 521 CO -0.00 0.41 -0.46 -0.09 1.06 0.00 0.00 176.91 177.83 3k57 h ARG 522 N 0.00 0.36 -0.67 1.72 9.65 -1.52 -2.71 114.38 121.21 3k57 h ARG 522 Ca -0.00 -0.19 -0.04 0.00 -1.10 0.00 0.00 59.98 58.65 3k57 h ARG 522 Cb 0.79 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.34 3k57 h ARG 522 CO 0.05 0.75 0.28 0.78 2.80 0.00 0.00 179.97 184.63 3k57 h GLY 523 N 1.22 1.06 0.95 2.80 0.00 -0.72 0.06 103.07 108.43 3k57 h GLY 523 Ca 0.02 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 3k57 h GLY 523 CO 0.08 0.51 0.17 0.45 0.00 0.00 0.00 176.54 177.75 3k57 h HIS 524 N 0.97 0.63 -0.12 5.60 3.86 -1.11 -0.35 115.15 124.63 3k57 h HIS 524 Ca 0.23 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3k57 h HIS 524 Cb 0.17 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 3k57 h HIS 524 CO 0.01 0.55 0.08 0.37 0.86 0.00 0.00 177.93 179.80 3k57 h GLN 525 N 0.53 0.16 -0.89 2.45 4.15 -1.23 -1.57 115.11 118.71 3k57 h GLN 525 Ca 0.14 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.58 3k57 h GLN 525 Cb 0.18 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.79 3k57 h GLN 525 CO -0.01 0.12 0.58 0.82 -1.93 0.00 0.00 178.83 178.40 3k57 h ILE 526 N 0.15 1.16 -0.25 2.39 2.04 -0.76 -0.64 117.51 121.61 3k57 h ILE 526 Ca 0.04 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 3k57 h ILE 526 Cb -0.01 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 35.99 3k57 h ILE 526 CO -0.01 0.21 0.09 0.24 0.00 0.00 0.00 178.15 178.68 3k57 h MET 527 N 1.13 0.37 -0.59 2.37 2.86 -0.68 -0.90 114.93 119.49 3k57 h MET 527 Ca 0.35 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.82 3k57 h MET 527 Cb -0.02 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 3k57 h MET 527 CO -0.11 0.43 -0.02 0.00 1.06 0.00 0.00 176.91 178.27 3k57 h ARG 528 N 0.24 1.05 -0.49 1.72 3.08 -1.06 -2.25 114.38 116.68 3k57 h ARG 528 Ca 0.08 -0.34 -0.10 0.00 0.07 0.00 0.00 59.98 59.69 3k57 h ARG 528 Cb 0.20 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3k57 h ARG 528 CO -0.00 1.04 -0.09 0.37 -1.07 0.00 0.00 179.97 180.21 3k57 h GLN 529 N 0.96 0.88 -0.77 0.04 5.75 -1.04 -1.92 115.11 119.01 3k57 h GLN 529 Ca 0.17 -0.30 -0.04 0.00 -0.15 0.00 0.00 58.65 58.33 3k57 h GLN 529 Cb 0.57 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 3k57 h GLN 529 CO 0.03 0.94 0.34 1.15 -2.65 0.00 0.00 178.83 178.64 3k57 h THR 530 N 0.80 1.25 -0.16 2.39 2.02 -0.92 -0.26 112.91 118.03 3k57 h THR 530 Ca 0.13 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3k57 h THR 530 Cb 0.61 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3k57 h THR 530 CO 0.04 0.31 0.07 0.50 0.37 0.00 0.00 175.52 176.81 3k57 h LYS 531 N 1.10 0.24 -0.85 6.66 3.64 -1.13 -1.65 116.57 124.57 3k57 h LYS 531 Ca 0.26 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3k57 h LYS 531 Cb 0.16 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 3k57 h LYS 531 CO -0.03 0.31 0.54 0.00 -2.27 0.00 0.00 179.45 178.00 3k57 h ALA 532 N 0.92 1.35 -0.50 5.00 0.00 -1.10 -0.53 119.26 124.40 3k57 h ALA 532 Ca 0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3k57 h ALA 532 Cb 0.16 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3k57 h ALA 532 CO -0.01 0.58 0.09 -0.07 0.00 0.00 0.00 179.25 179.84 3k57 h LEU 533 N 1.16 0.78 -0.52 0.00 3.38 -0.72 -1.53 115.31 117.86 3k57 h LEU 533 Ca 0.31 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3k57 h LEU 533 Cb -0.09 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3k57 h LEU 533 CO -0.06 0.84 -0.15 0.40 0.09 0.00 0.00 178.44 179.56 3k57 h ILE 534 N 0.69 1.27 -0.43 1.22 2.04 -0.76 -2.56 117.51 118.99 3k57 h ILE 534 Ca 0.15 -1.31 -0.06 0.00 1.00 0.00 0.00 64.86 64.64 3k57 h ILE 534 Cb 0.39 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3k57 h ILE 534 CO 0.01 0.46 0.02 -0.33 0.00 0.00 0.00 178.15 178.31 3k57 h GLU 535 N 0.90 0.68 -0.21 2.37 5.08 -0.99 -1.59 114.58 120.81 3k57 h GLU 535 Ca 0.13 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3k57 h GLU 535 Cb 0.72 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3k57 h GLU 535 CO 0.06 0.69 -0.04 0.00 -1.00 0.00 0.00 179.01 178.71 3k57 h ALA 536 N 1.38 1.54 0.00 3.43 0.00 -1.09 -0.84 119.26 123.68 3k57 h ALA 536 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3k57 h ALA 536 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3k57 h ALA 536 CO 0.01 0.33 0.00 1.04 0.00 0.00 0.00 179.25 180.63 3k57 n GLN 537 N -4.32 0.99 -0.19 0.00 1.13 -0.61 -4.88 117.38 109.49 3k57 n GLN 537 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3k57 n GLN 537 Cb 0.22 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.38 3k57 n GLN 537 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k57 n GLY 538 N 0.68 0.91 3.35 1.08 0.00 -0.32 -5.09 105.19 105.79 3k57 n GLY 538 Ca 0.09 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3k57 n GLY 538 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k57 s TYR 539 N -2.00 2.30 0.27 1.61 2.02 -1.12 -5.03 117.35 115.40 3k57 s TYR 539 Ca 0.00 -0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 56.01 3k57 s TYR 539 Cb 0.00 -1.35 -0.09 0.00 -0.40 0.00 0.00 41.96 40.12 3k57 s TYR 539 CO 0.00 0.17 0.96 -0.51 -1.57 0.00 0.00 175.55 174.60 3k57 s ASP 540 N -1.42 7.50 -0.29 2.29 1.01 -1.24 -3.56 116.67 120.96 3k57 s ASP 540 Ca 0.12 1.96 -0.03 0.00 0.71 0.00 0.00 52.55 55.31 3k57 s ASP 540 Cb -0.10 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.26 3k57 s ASP 540 CO 0.03 0.05 0.01 -0.69 0.21 0.00 0.00 175.17 174.78 3k57 s VAL 541 N -1.30 3.27 -0.88 -1.27 1.01 -1.26 -0.46 120.40 119.51 3k57 s VAL 541 Ca 0.44 -1.11 0.23 0.00 0.00 0.00 0.00 61.98 61.54 3k57 s VAL 541 Cb -0.25 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.26 3k57 s VAL 541 CO 0.31 0.00 1.14 2.30 0.00 0.00 0.00 175.10 178.85 3k57 n ILE 542 N 4.71 0.05 -3.67 2.22 -5.35 -0.31 -4.91 119.36 112.09 3k57 n ILE 542 Ca -0.14 -0.08 -0.04 0.00 -0.27 0.00 0.00 62.75 62.22 3k57 n ILE 542 Cb 0.45 0.47 -0.01 0.00 -1.74 0.00 0.00 39.64 38.81 3k57 n ILE 542 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 3k57 s TYR 543 N -3.06 -0.17 -0.28 4.28 5.04 -1.24 -1.19 117.35 120.72 3k57 s TYR 543 Ca 0.08 -0.06 -0.26 0.00 -2.44 0.00 0.00 57.07 54.39 3k57 s TYR 543 Cb 0.16 0.60 0.17 0.00 0.35 0.00 0.00 41.96 43.24 3k57 s TYR 543 CO 0.78 -0.68 1.28 0.20 -1.34 0.00 0.00 175.55 175.80 3k57 s GLY 544 N -2.81 0.13 -0.25 8.97 0.00 -1.26 -0.26 107.32 111.85 3k57 s GLY 544 Ca 0.11 3.10 -0.03 0.00 0.00 0.00 0.00 44.72 47.90 3k57 s GLY 544 CO -0.01 1.75 0.07 -0.35 0.00 0.00 0.00 173.10 174.56 3k57 s ASP 545 N -0.11 3.35 0.00 1.64 -1.08 -1.11 -0.79 116.67 118.57 3k57 s ASP 545 Ca 0.06 -1.15 0.00 0.00 -0.52 0.00 0.00 52.55 50.93 3k57 s ASP 545 Cb -0.04 -0.62 0.00 0.00 -1.46 0.00 0.00 42.92 40.80 3k57 s ASP 545 CO -0.11 -0.37 0.00 0.41 0.52 0.00 0.00 175.17 175.62 3k57 n THR 546 N 5.03 0.00 -2.04 1.71 -1.04 0.66 -3.08 114.28 115.51 3k57 n THR 546 Ca -0.06 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.96 3k57 n THR 546 Cb 0.45 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.97 3k57 n THR 546 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3k57 n ASP 547 N 1.76 0.37 -4.25 8.00 5.75 -1.26 -4.65 116.55 122.27 3k57 n ASP 547 Ca 0.00 -2.09 -0.20 0.00 -0.01 0.00 0.00 54.79 52.48 3k57 n ASP 547 Cb 0.00 -0.24 -0.12 0.00 -1.03 0.00 0.00 41.12 39.73 3k57 n ASP 547 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3k57 s SER 548 N -1.35 2.17 -0.06 -1.12 1.04 -1.18 -1.43 113.70 111.77 3k57 s SER 548 Ca 0.09 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.79 3k57 s SER 548 Cb 0.10 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.15 3k57 s SER 548 CO -0.03 -0.06 -0.04 0.42 0.98 0.00 0.00 173.24 174.51 3k57 s THR 549 N -1.64 0.58 -0.34 2.02 -4.23 -0.16 -2.74 115.64 109.13 3k57 s THR 549 Ca 0.07 -0.10 -0.15 0.00 -1.18 0.00 0.00 61.69 60.33 3k57 s THR 549 Cb -0.08 -0.63 -0.01 0.00 1.34 0.00 0.00 72.50 73.12 3k57 s THR 549 CO 0.04 0.26 0.35 -0.36 -0.54 0.00 0.00 174.62 174.37 3k57 s PHE 550 N 1.24 3.21 -0.24 3.99 2.99 0.64 -1.59 117.98 128.21 3k57 s PHE 550 Ca -0.06 -0.04 -0.10 0.00 0.00 0.00 0.00 56.93 56.74 3k57 s PHE 550 Cb -0.14 -2.66 -0.04 0.00 0.00 0.00 0.00 43.02 40.18 3k57 s PHE 550 CO -0.02 -0.43 0.14 0.08 -0.00 0.00 0.00 175.22 174.99 3k57 s VAL 551 N 2.00 5.07 -0.27 -0.44 1.01 0.55 -1.16 120.40 127.15 3k57 s VAL 551 Ca 0.11 0.08 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 3k57 s VAL 551 Cb -0.17 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 3k57 s VAL 551 CO 0.12 0.34 0.64 0.86 0.00 0.00 0.00 175.10 177.05 3k57 s TRP 552 N 1.24 3.26 -0.45 5.22 -0.00 0.39 -0.24 118.94 128.36 3k57 s TRP 552 Ca 0.06 0.75 -0.13 0.00 -0.00 0.00 0.00 56.10 56.78 3k57 s TRP 552 Cb -0.14 -2.91 0.07 0.00 -0.00 0.00 0.00 33.47 30.49 3k57 s TRP 552 CO 0.05 -0.39 0.33 -0.51 -0.00 0.00 0.00 176.95 176.44 3k57 s LEU 553 N 2.56 5.40 0.52 5.86 1.43 -1.00 -3.63 118.68 129.82 3k57 s LEU 553 Ca 0.26 -1.39 -0.19 0.00 -1.03 0.00 0.00 54.13 51.78 3k57 s LEU 553 Cb -0.15 -2.10 -0.07 0.00 0.03 0.00 0.00 46.19 43.90 3k57 s LEU 553 CO 0.10 -0.59 1.05 -0.54 0.23 0.00 0.00 176.35 176.59 3k57 s LYS 554 N 1.55 3.65 0.29 1.70 1.02 -1.26 -4.31 119.74 122.38 3k57 s LYS 554 Ca 0.04 1.33 0.00 0.00 0.02 0.00 0.00 55.97 57.35 3k57 s LYS 554 Cb -0.24 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 3k57 s LYS 554 CO 0.05 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 174.34 3k57 n GLY 555 N -0.44 -1.79 3.69 -3.33 0.00 -1.26 -4.91 105.19 97.15 3k57 n GLY 555 Ca 0.09 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 3k57 n GLY 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k57 s ALA 556 N -1.73 3.45 -0.04 4.61 0.00 -1.26 -4.74 121.76 122.06 3k57 s ALA 556 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3k57 s ALA 556 Cb 0.00 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.17 3k57 s ALA 556 CO 0.00 -0.34 -0.01 -1.01 0.00 0.00 0.00 175.76 174.40 3k57 s HIS 557 N 1.38 0.50 0.67 0.00 3.76 -1.26 -5.08 115.29 115.26 3k57 s HIS 557 Ca 0.33 -0.08 -0.08 0.00 -0.15 0.00 0.00 55.06 55.08 3k57 s HIS 557 Cb -0.17 -0.55 0.03 0.00 1.11 0.00 0.00 32.58 33.01 3k57 s HIS 557 CO 0.14 -0.18 1.01 -1.54 -0.85 0.00 0.00 174.74 173.32 3k57 s SER 558 N 1.14 5.21 0.22 1.40 1.04 -1.26 -4.83 113.70 116.63 3k57 s SER 558 Ca -0.08 0.74 -0.09 0.00 0.48 0.00 0.00 55.95 57.00 3k57 s SER 558 Cb -0.14 -1.53 0.20 0.00 0.10 0.00 0.00 66.02 64.65 3k57 s SER 558 CO -0.02 -1.38 1.89 -0.33 0.98 0.00 0.00 173.24 174.39 3k57 h GLU 559 N -0.51 1.13 -0.39 4.02 4.39 -1.99 0.15 114.58 121.40 3k57 h GLU 559 Ca -0.45 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.11 3k57 h GLU 559 Cb 1.28 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 3k57 h GLU 559 CO 0.62 0.76 0.00 1.49 -1.16 0.00 0.00 179.01 180.72 3k57 h GLU 560 N 1.16 0.68 -0.23 2.33 4.81 -1.99 -2.03 114.58 119.32 3k57 h GLU 560 Ca 0.31 -0.22 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 3k57 h GLU 560 Cb -0.11 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 3k57 h GLU 560 CO -0.07 0.78 -0.46 1.49 -0.73 0.00 0.00 179.01 180.03 3k57 h GLU 561 N 0.51 0.58 -0.62 1.92 4.57 -1.82 -2.39 114.58 117.32 3k57 h GLU 561 Ca 0.11 -0.32 -0.07 0.00 -1.18 0.00 0.00 59.36 57.90 3k57 h GLU 561 Cb 0.47 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 3k57 h GLU 561 CO 0.02 0.92 0.11 0.00 -1.18 0.00 0.00 179.01 178.88 3k57 h ALA 562 N 1.03 1.03 -0.30 2.92 0.00 -0.65 -2.58 119.26 120.71 3k57 h ALA 562 Ca 0.03 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 3k57 h ALA 562 Cb 0.98 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3k57 h ALA 562 CO 0.09 0.63 -0.26 0.00 0.00 0.00 0.00 179.25 179.70 3k57 h ALA 563 N 1.17 0.99 -0.49 0.00 0.00 -1.22 -1.62 119.26 118.09 3k57 h ALA 563 Ca 0.19 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3k57 h ALA 563 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3k57 h ALA 563 CO 0.01 0.60 0.22 0.87 0.00 0.00 0.00 179.25 180.94 3k57 h LYS 564 N 0.52 0.72 -0.33 0.00 1.57 -1.17 -1.28 116.57 116.60 3k57 h LYS 564 Ca 0.07 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3k57 h LYS 564 Cb 0.72 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 3k57 h LYS 564 CO 0.06 0.62 0.13 0.82 -0.57 0.00 0.00 179.45 180.51 3k57 h ILE 565 N 0.65 1.18 -0.35 1.86 2.04 -1.23 -0.36 117.51 121.30 3k57 h ILE 565 Ca 0.17 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.50 3k57 h ILE 565 Cb 0.15 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3k57 h ILE 565 CO -0.02 0.20 0.16 1.23 0.00 0.00 0.00 178.15 179.72 3k57 h GLY 566 N 0.38 0.47 1.02 5.37 0.00 -1.08 0.46 103.07 109.68 3k57 h GLY 566 Ca 0.11 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3k57 h GLY 566 CO -0.01 0.08 0.22 3.21 0.00 0.00 0.00 176.54 180.04 3k57 h ARG 567 N 0.34 0.99 -0.62 4.80 3.08 -1.11 -1.36 114.38 120.50 3k57 h ARG 567 Ca 0.15 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3k57 h ARG 567 Cb 0.08 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 3k57 h ARG 567 CO -0.12 0.85 0.29 0.00 -1.07 0.00 0.00 179.97 179.92 3k57 h ALA 568 N 1.09 0.80 -0.36 0.04 0.00 -0.59 -2.04 119.26 118.20 3k57 h ALA 568 Ca 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3k57 h ALA 568 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3k57 h ALA 568 CO -0.01 0.37 0.11 -0.07 0.00 0.00 0.00 179.25 179.65 3k57 h LEU 569 N 0.85 0.53 -0.98 0.00 3.38 -0.54 -0.64 115.31 117.90 3k57 h LEU 569 Ca 0.21 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3k57 h LEU 569 Cb 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3k57 h LEU 569 CO -0.02 0.59 -0.26 -0.37 0.09 0.00 0.00 178.44 178.47 3k57 h VAL 570 N 0.43 1.26 -0.48 1.22 -1.51 -1.17 -0.66 116.25 115.35 3k57 h VAL 570 Ca 0.12 -1.26 -0.04 0.00 -1.23 0.00 0.00 66.70 64.29 3k57 h VAL 570 Cb 0.25 1.38 -0.02 0.00 -2.13 0.00 0.00 31.29 30.78 3k57 h VAL 570 CO -0.00 0.39 0.14 -0.61 -1.23 0.00 0.00 177.57 176.26 3k57 h GLN 571 N 0.38 0.75 -0.28 5.19 -0.00 -1.15 0.30 115.11 120.30 3k57 h GLN 571 Ca 0.06 -0.17 -0.00 0.00 -0.00 0.00 0.00 58.65 58.53 3k57 h GLN 571 Cb 0.66 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 28.02 3k57 h GLN 571 CO 0.05 0.72 0.16 1.25 0.00 0.00 0.00 178.83 181.01 3k57 h HIS 572 N 0.64 0.38 -0.27 3.99 2.76 -0.65 -1.87 115.15 120.12 3k57 h HIS 572 Ca 0.15 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 3k57 h HIS 572 Cb 0.29 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 3k57 h HIS 572 CO 0.02 0.30 0.08 0.28 -1.30 0.00 0.00 177.93 177.31 3k57 h VAL 573 N 0.34 1.20 -0.28 5.26 2.07 -0.92 -2.40 116.25 121.52 3k57 h VAL 573 Ca 0.10 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 3k57 h VAL 573 Cb 0.05 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3k57 h VAL 573 CO -0.02 0.21 -0.04 0.78 0.02 0.00 0.00 177.57 178.52 3k57 h ASN 574 N 0.28 0.40 -0.40 0.57 2.35 -0.86 -1.70 115.58 116.22 3k57 h ASN 574 Ca 0.09 -0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.63 3k57 h ASN 574 Cb 0.24 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3k57 h ASN 574 CO -0.00 0.50 -0.23 0.00 -1.65 0.00 0.00 177.43 176.04 3k57 h ALA 575 N 1.55 0.76 -0.56 -0.83 0.00 -1.28 -1.79 119.26 117.11 3k57 h ALA 575 Ca 0.09 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3k57 h ALA 575 Cb 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3k57 h ALA 575 CO 0.01 0.66 0.23 2.35 0.00 0.00 0.00 179.25 182.50 3k57 h TRP 576 N 0.78 0.85 -0.66 0.00 7.01 -0.86 0.24 115.95 123.31 3k57 h TRP 576 Ca 0.10 -0.06 -0.09 0.00 2.11 0.00 0.00 58.89 60.95 3k57 h TRP 576 Cb 0.79 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.57 3k57 h TRP 576 CO 0.05 0.69 0.07 -1.49 -2.79 0.00 0.00 178.44 174.97 3k57 h TRP 577 N 0.77 1.19 -0.52 2.65 -0.00 -1.23 0.13 115.95 118.94 3k57 h TRP 577 Ca 0.19 -0.18 -0.02 0.00 -0.00 0.00 0.00 58.89 58.87 3k57 h TRP 577 Cb 0.19 -0.32 -0.02 0.00 -0.00 0.00 0.00 29.16 29.01 3k57 h TRP 577 CO 0.01 1.01 0.23 0.00 -0.00 0.00 0.00 178.44 179.69 3k57 h ALA 578 N 1.03 0.67 0.22 1.49 0.00 -0.83 -0.76 119.26 121.08 3k57 h ALA 578 Ca 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3k57 h ALA 578 Cb 0.49 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3k57 h ALA 578 CO 0.02 0.25 -0.10 1.49 0.00 0.00 0.00 179.25 180.90 3k57 h GLU 579 N 0.69 -0.28 -0.58 0.00 4.81 -0.18 -2.18 114.58 116.86 3k57 h GLU 579 Ca 0.18 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 3k57 h GLU 579 Cb 0.15 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3k57 h GLU 579 CO -0.02 -0.08 -0.03 1.79 -0.73 0.00 0.00 179.01 179.94 3k57 h THR 580 N -0.44 1.27 -0.03 0.32 1.35 -0.68 -3.10 112.91 111.59 3k57 h THR 580 Ca -0.03 -1.18 -0.13 0.00 -0.55 0.00 0.00 66.41 64.52 3k57 h THR 580 Cb 0.33 0.85 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 3k57 h THR 580 CO 0.05 0.43 -0.58 -0.07 -0.25 0.00 0.00 175.52 175.10 3k57 h LEU 581 N 0.94 0.11 -1.32 3.87 3.38 -1.18 -2.92 115.31 118.19 3k57 h LEU 581 Ca 0.16 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3k57 h LEU 581 Cb 0.59 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3k57 h LEU 581 CO 0.04 0.66 -0.06 -0.61 0.09 0.00 0.00 178.44 178.56 3k57 h GLN 582 N 0.07 0.38 0.00 1.13 4.15 -1.33 0.09 115.11 119.60 3k57 h GLN 582 Ca -0.00 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3k57 h GLN 582 Cb 1.04 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.67 3k57 h GLN 582 CO 0.08 0.46 0.00 0.87 -1.93 0.00 0.00 178.83 178.31 3k57 h LYS 583 N 0.36 0.00 -0.64 1.69 1.57 -1.45 -0.94 116.57 117.17 3k57 h LYS 583 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3k57 h LYS 583 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3k57 h LYS 583 CO 0.02 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.94 3k57 n GLN 584 N -2.85 2.54 -3.46 3.15 6.02 -0.11 -4.93 117.38 117.74 3k57 n GLN 584 Ca 0.01 -2.39 -0.25 0.00 -0.01 0.00 0.00 57.00 54.36 3k57 n GLN 584 Cb 0.25 -1.52 0.05 0.00 1.02 0.00 0.00 30.24 30.04 3k57 n GLN 584 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3k57 n ARG 585 N 1.46 -6.30 -4.40 -1.09 1.74 -0.36 -5.00 116.66 102.70 3k57 n ARG 585 Ca 0.22 0.79 -0.22 0.00 -0.77 0.00 0.00 57.85 57.87 3k57 n ARG 585 Cb 0.57 -5.74 -0.10 0.00 -1.02 0.00 0.00 32.46 26.17 3k57 n ARG 585 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3k57 s LEU 586 N -7.07 2.55 -0.20 0.55 1.43 -0.46 -5.01 118.68 110.47 3k57 s LEU 586 Ca 0.50 -1.00 -0.04 0.00 -1.03 0.00 0.00 54.13 52.57 3k57 s LEU 586 Cb -0.23 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 3k57 s LEU 586 CO 0.62 -0.04 -0.03 -0.89 0.23 0.00 0.00 176.35 176.24 3k57 s THR 587 N -2.58 3.68 0.00 5.49 2.01 -1.26 -3.21 115.64 119.77 3k57 s THR 587 Ca 0.25 -0.41 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 3k57 s THR 587 Cb -0.04 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 3k57 s THR 587 CO 0.11 0.44 1.09 -0.55 -0.69 0.00 0.00 174.62 175.01 3k57 s SER 588 N 1.09 7.21 0.00 3.53 0.15 -1.26 -4.53 113.70 119.88 3k57 s SER 588 Ca 0.02 1.80 0.10 0.00 0.70 0.00 0.00 55.95 58.56 3k57 s SER 588 Cb -0.15 -2.57 0.10 0.00 -1.71 0.00 0.00 66.02 61.70 3k57 s SER 588 CO 0.01 -0.40 0.87 0.00 1.20 0.00 0.00 173.24 174.91 3k57 n ALA 589 N 4.21 2.44 -1.91 5.45 0.00 -1.26 -4.95 120.51 124.49 3k57 n ALA 589 Ca 0.08 -0.66 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 3k57 n ALA 589 Cb 0.48 -0.34 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 3k57 n ALA 589 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k57 s LEU 590 N -0.84 4.37 -0.31 0.00 1.43 -1.26 -4.90 118.68 117.17 3k57 s LEU 590 Ca 0.13 2.65 -0.03 0.00 -1.03 0.00 0.00 54.13 55.85 3k57 s LEU 590 Cb 0.09 -3.60 0.11 0.00 0.03 0.00 0.00 46.19 42.82 3k57 s LEU 590 CO 0.12 -0.82 0.16 -0.70 0.23 0.00 0.00 176.35 175.34 3k57 s GLU 591 N 0.88 0.30 0.23 1.70 2.12 -1.26 -4.90 118.70 117.76 3k57 s GLU 591 Ca 0.69 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.95 3k57 s GLU 591 Cb -0.44 -1.20 -0.09 0.00 0.26 0.00 0.00 34.13 32.67 3k57 s GLU 591 CO 0.33 -1.08 1.17 -1.17 -0.54 0.00 0.00 175.26 173.97 3k57 s LEU 592 N 1.79 4.48 0.11 2.70 2.96 -1.26 -0.51 118.68 128.95 3k57 s LEU 592 Ca 0.12 2.27 0.10 0.00 -0.22 0.00 0.00 54.13 56.39 3k57 s LEU 592 Cb -0.18 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.85 3k57 s LEU 592 CO -0.25 -0.30 -0.22 -1.61 -1.32 0.00 0.00 176.35 172.65 3k57 s GLU 593 N -0.76 1.67 -0.43 1.98 2.02 -0.43 -4.87 118.70 117.88 3k57 s GLU 593 Ca 0.49 -1.22 -0.22 0.00 0.02 0.00 0.00 54.97 54.05 3k57 s GLU 593 Cb -0.33 -2.04 0.02 0.00 0.10 0.00 0.00 34.13 31.89 3k57 s GLU 593 CO 0.39 0.48 0.71 -0.47 0.02 0.00 0.00 175.26 176.38 3k57 s TYR 594 N -1.07 3.05 -0.19 1.61 5.04 -1.26 -1.67 117.35 122.85 3k57 s TYR 594 Ca 0.16 0.11 -0.15 0.00 -2.44 0.00 0.00 57.07 54.75 3k57 s TYR 594 Cb -0.10 -3.45 -0.10 0.00 0.35 0.00 0.00 41.96 38.66 3k57 s TYR 594 CO 0.08 -0.88 -0.13 -1.91 -1.34 0.00 0.00 175.55 171.37 3k57 n GLU 595 N 6.42 0.52 -3.79 4.97 2.13 -0.40 -4.99 120.64 125.51 3k57 n GLU 595 Ca 0.00 0.44 -0.13 0.00 0.66 0.00 0.00 57.16 58.14 3k57 n GLU 595 Cb 0.48 -1.63 -0.09 0.00 0.27 0.00 0.00 31.44 30.47 3k57 n GLU 595 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3k57 s THR 596 N -2.45 0.07 -0.27 6.31 2.01 -1.03 -4.98 115.64 115.30 3k57 s THR 596 Ca -0.26 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.22 3k57 s THR 596 Cb 0.06 -0.58 0.06 0.00 0.01 0.00 0.00 72.50 72.05 3k57 s THR 596 CO 0.41 -0.30 -0.08 -2.28 -0.69 0.00 0.00 174.62 171.68 3k57 s HIS 597 N -1.41 3.32 -0.29 4.92 2.46 -1.26 -0.33 115.29 122.70 3k57 s HIS 597 Ca -0.14 -2.35 -0.23 0.00 0.47 0.00 0.00 55.06 52.82 3k57 s HIS 597 Cb -0.06 -2.05 -0.00 0.00 -0.13 0.00 0.00 32.58 30.34 3k57 s HIS 597 CO 0.03 -0.88 0.77 -0.06 -2.47 0.00 0.00 174.74 172.13 3k57 s PHE 598 N 1.10 3.22 0.08 3.88 0.08 0.63 -4.60 117.98 122.37 3k57 s PHE 598 Ca -0.07 0.84 0.26 0.00 0.12 0.00 0.00 56.93 58.08 3k57 s PHE 598 Cb -0.20 -3.15 0.99 0.00 -0.57 0.00 0.00 43.02 40.09 3k57 s PHE 598 CO -0.05 -0.52 1.85 0.00 -0.10 0.00 0.00 175.22 176.40 3k57 s ARG 600 N -3.61 0.28 -0.17 0.00 1.81 -1.09 -3.13 118.95 113.04 3k57 s ARG 600 Ca 0.01 -0.37 -0.13 0.00 -1.72 0.00 0.00 55.73 53.52 3k57 s ARG 600 Cb 0.09 0.11 0.05 0.00 -0.45 0.00 0.00 34.95 34.75 3k57 s ARG 600 CO 0.62 -0.05 0.43 0.12 -0.68 0.00 0.00 175.30 175.73 3k57 s PHE 601 N -1.01 -0.52 -0.17 -0.53 5.36 -0.46 -0.68 117.98 119.97 3k57 s PHE 601 Ca -0.11 1.21 0.01 0.00 -0.96 0.00 0.00 56.93 57.08 3k57 s PHE 601 Cb -0.07 0.20 0.01 0.00 -0.34 0.00 0.00 43.02 42.83 3k57 s PHE 601 CO -0.00 -0.26 -0.19 -1.17 -1.46 0.00 0.00 175.22 172.13 3k57 s LEU 602 N 0.58 2.20 -0.35 6.12 2.96 0.83 -0.06 118.68 130.97 3k57 s LEU 602 Ca -0.03 -0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 53.25 3k57 s LEU 602 Cb -0.05 -1.49 0.07 0.00 0.50 0.00 0.00 46.19 45.22 3k57 s LEU 602 CO -0.04 0.03 0.09 -0.32 -1.32 0.00 0.00 176.35 174.79 3k57 s MET 603 N 1.13 2.28 0.73 1.98 -2.45 0.04 -2.51 119.30 120.50 3k57 s MET 603 Ca 0.01 -1.47 -0.11 0.00 -1.25 0.00 0.00 55.69 52.87 3k57 s MET 603 Cb -0.14 -3.37 0.03 0.00 1.25 0.00 0.00 34.83 32.60 3k57 s MET 603 CO -0.08 -0.80 1.09 -1.25 1.05 0.00 0.00 175.02 175.02 3k57 s PRO 604 N 1.23 2.63 0.43 4.11 0.04 -1.26 -0.41 135.00 141.77 3k57 s PRO 604 Ca 0.01 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.66 3k57 s PRO 604 Cb -0.21 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 3k57 s PRO 604 CO -0.02 -1.23 0.65 0.95 0.04 0.00 0.00 177.00 177.39 3k57 s THR 605 N -3.23 4.17 0.66 1.26 -4.23 -1.26 -0.72 115.64 112.29 3k57 s THR 605 Ca 0.59 -0.49 -0.14 0.00 -1.18 0.00 0.00 61.69 60.47 3k57 s THR 605 Cb -0.13 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.18 3k57 s THR 605 CO 0.53 -0.37 1.09 0.27 -0.54 0.00 0.00 174.62 175.60 3k57 s ILE 606 N -2.52 3.47 0.12 2.99 -4.36 0.33 -4.52 121.20 116.71 3k57 s ILE 606 Ca 0.47 0.63 -0.31 0.00 -0.26 0.00 0.00 60.65 61.18 3k57 s ILE 606 Cb -0.10 -3.17 -0.09 0.00 1.25 0.00 0.00 42.46 40.35 3k57 s ILE 606 CO 0.38 -0.47 1.61 -0.13 0.24 0.00 0.00 174.94 176.56 3k57 s ARG 607 N -4.30 4.21 0.00 0.37 0.52 -1.26 -2.75 118.95 115.74 3k57 s ARG 607 Ca 0.64 2.34 0.00 0.00 -0.52 0.00 0.00 55.73 58.20 3k57 s ARG 607 Cb -0.18 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 31.92 3k57 s ARG 607 CO 0.44 -0.67 0.00 0.41 0.02 0.00 0.00 175.30 175.50 3k57 n GLY 608 N 3.87 0.82 3.25 -3.53 0.00 -1.26 -5.03 105.19 103.31 3k57 n GLY 608 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 3k57 n GLY 608 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k57 s ALA 609 N -3.17 1.32 -1.77 4.61 0.00 -1.11 -5.03 121.76 116.61 3k57 s ALA 609 Ca 0.00 -1.78 0.24 0.00 0.00 0.00 0.00 51.96 50.42 3k57 s ALA 609 Cb 0.00 1.40 0.35 0.00 0.00 0.00 0.00 23.12 24.87 3k57 s ALA 609 CO 0.00 -0.63 1.31 -0.25 0.00 0.00 0.00 175.76 176.19 3k57 n ASP 610 N -0.70 1.41 -4.77 0.00 8.00 -1.26 -4.36 116.55 114.86 3k57 n ASP 610 Ca 0.04 -1.12 -0.41 0.00 0.71 0.00 0.00 54.79 54.01 3k57 n ASP 610 Cb 0.65 0.35 -0.01 0.00 -0.02 0.00 0.00 41.12 42.08 3k57 n ASP 610 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3k57 s THR 611 N -2.56 2.49 0.51 -3.53 2.01 -1.26 -4.86 115.64 108.44 3k57 s THR 611 Ca 0.20 0.49 -0.20 0.00 0.31 0.00 0.00 61.69 62.48 3k57 s THR 611 Cb 0.18 -3.31 -0.07 0.00 0.01 0.00 0.00 72.50 69.32 3k57 s THR 611 CO 0.58 0.11 1.11 -0.83 -0.69 0.00 0.00 174.62 174.91 3k57 s GLY 612 N -0.33 2.64 0.57 4.40 0.00 -1.26 -0.51 107.32 112.84 3k57 s GLY 612 Ca 0.51 0.79 -0.05 0.00 0.00 0.00 0.00 44.72 45.97 3k57 s GLY 612 CO 0.56 1.16 0.87 -0.45 0.00 0.00 0.00 173.10 175.24 3k57 s SER 613 N -1.73 5.55 0.12 1.64 0.15 0.10 -4.46 113.70 115.07 3k57 s SER 613 Ca 0.69 0.59 0.09 0.00 0.70 0.00 0.00 55.95 58.02 3k57 s SER 613 Cb -0.23 -1.59 -0.04 0.00 -1.71 0.00 0.00 66.02 62.45 3k57 s SER 613 CO 0.27 -1.05 -0.21 -0.54 1.20 0.00 0.00 173.24 172.91 3k57 s LYS 614 N -4.93 1.17 -1.49 5.44 1.02 -1.26 -4.44 119.74 115.25 3k57 s LYS 614 Ca 0.54 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 55.31 3k57 s LYS 614 Cb -0.10 -1.43 0.00 0.00 -0.52 0.00 0.00 37.83 35.78 3k57 s LYS 614 CO 0.44 0.33 0.00 1.63 -0.92 0.00 0.00 175.35 176.82 3k57 n LYS 615 N 0.93 -1.48 -3.67 1.68 5.02 -1.26 -4.96 118.16 114.43 3k57 n LYS 615 Ca -0.18 0.98 -0.19 0.00 -2.02 0.00 0.00 58.31 56.90 3k57 n LYS 615 Cb 0.54 -5.32 -0.17 0.00 -0.02 0.00 0.00 35.03 30.06 3k57 n LYS 615 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3k57 s ARG 616 N -3.14 -0.04 0.06 1.97 0.52 -1.25 -3.99 118.95 113.08 3k57 s ARG 616 Ca 0.00 0.44 -0.27 0.00 -0.52 0.00 0.00 55.73 55.38 3k57 s ARG 616 Cb 0.00 -0.42 0.09 0.00 0.52 0.00 0.00 34.95 35.14 3k57 s ARG 616 CO 0.00 -0.32 0.96 1.52 0.02 0.00 0.00 175.30 177.48 3k57 s TYR 617 N 2.19 -0.21 0.04 -0.53 -0.85 -0.34 -4.38 117.35 113.27 3k57 s TYR 617 Ca 0.04 0.00 -0.05 0.00 -0.52 0.00 0.00 57.07 56.55 3k57 s TYR 617 Cb -0.12 0.59 -0.01 0.00 0.38 0.00 0.00 41.96 42.79 3k57 s TYR 617 CO -0.04 -0.65 0.08 0.00 -1.52 0.00 0.00 175.55 173.42 3k57 s ALA 618 N -3.12 0.01 0.15 9.51 0.00 -1.04 -0.04 121.76 127.22 3k57 s ALA 618 Ca 0.09 -0.63 -0.24 0.00 0.00 0.00 0.00 51.96 51.19 3k57 s ALA 618 Cb -0.01 0.25 0.07 0.00 0.00 0.00 0.00 23.12 23.43 3k57 s ALA 618 CO -0.03 -0.32 0.66 0.20 0.00 0.00 0.00 175.76 176.27 3k57 s GLY 619 N -2.18 -0.53 -0.14 0.00 0.00 -0.07 -0.12 107.32 104.28 3k57 s GLY 619 Ca -0.04 0.46 -0.03 0.00 0.00 0.00 0.00 44.72 45.10 3k57 s GLY 619 CO -0.05 0.15 -0.03 -2.27 0.00 0.00 0.00 173.10 170.90 3k57 s LEU 620 N -2.74 3.34 -0.12 0.66 2.96 0.15 -0.31 118.68 122.62 3k57 s LEU 620 Ca 0.03 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 3k57 s LEU 620 Cb -0.02 -1.80 -0.00 0.00 0.50 0.00 0.00 46.19 44.88 3k57 s LEU 620 CO -0.10 0.22 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.31 3k57 s ILE 621 N 0.09 2.33 -0.25 6.68 1.01 0.15 -0.45 121.20 130.75 3k57 s ILE 621 Ca 0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 3k57 s ILE 621 Cb -0.13 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3k57 s ILE 621 CO 0.02 0.54 0.39 -1.58 0.00 0.00 0.00 174.94 174.32 3k57 s GLN 622 N 0.51 4.06 -0.11 2.79 2.00 -1.26 -0.28 119.66 127.37 3k57 s GLN 622 Ca -0.13 0.10 -0.01 0.00 -2.00 0.00 0.00 55.36 53.32 3k57 s GLN 622 Cb -0.17 -3.62 0.03 0.00 0.80 0.00 0.00 33.01 30.05 3k57 s GLN 622 CO 0.05 -0.21 -0.04 -1.83 -0.50 0.00 0.00 175.29 172.76 3k57 s GLU 623 N 1.87 1.14 6.15 1.67 -1.05 0.24 -5.00 118.70 123.72 3k57 s GLU 623 Ca 0.16 -0.19 0.00 0.00 -0.15 0.00 0.00 54.97 54.80 3k57 s GLU 623 Cb -0.15 -1.49 0.00 0.00 -0.44 0.00 0.00 34.13 32.05 3k57 s GLU 623 CO 0.09 -0.33 0.00 0.41 0.95 0.00 0.00 175.26 176.38 3k57 n GLY 624 N 5.01 3.17 1.51 -3.83 0.00 -1.26 0.08 105.19 109.87 3k57 n GLY 624 Ca -0.10 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.82 3k57 n GLY 624 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k57 n ASP 625 N 2.78 4.46 -4.57 1.61 8.00 -1.26 -4.90 116.55 122.67 3k57 n ASP 625 Ca 0.00 -2.33 -0.34 0.00 0.71 0.00 0.00 54.79 52.83 3k57 n ASP 625 Cb 0.00 -0.55 -0.11 0.00 -0.02 0.00 0.00 41.12 40.44 3k57 n ASP 625 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3k57 s LYS 626 N -1.66 2.93 0.07 -1.24 2.20 0.11 -5.12 119.74 117.03 3k57 s LYS 626 Ca 0.49 -0.53 0.05 0.00 -0.36 0.00 0.00 55.97 55.62 3k57 s LYS 626 Cb 0.30 -2.66 -0.04 0.00 -1.51 0.00 0.00 37.83 33.93 3k57 s LYS 626 CO 0.26 0.59 -0.06 -0.65 -0.36 0.00 0.00 175.35 175.13 3k57 s GLN 627 N -0.61 2.36 0.00 4.03 -0.21 -1.26 0.81 119.66 124.78 3k57 s GLN 627 Ca 0.09 -0.89 0.01 0.00 0.02 0.00 0.00 55.36 54.60 3k57 s GLN 627 Cb -0.12 -2.42 -0.01 0.00 1.00 0.00 0.00 33.01 31.46 3k57 s GLN 627 CO 0.02 0.54 -0.05 0.50 -2.12 0.00 0.00 175.29 174.19 3k57 s ARG 628 N -2.01 0.37 -0.01 2.91 3.52 0.62 -4.96 118.95 119.38 3k57 s ARG 628 Ca 0.21 -0.22 -0.02 0.00 -0.13 0.00 0.00 55.73 55.58 3k57 s ARG 628 Cb -0.11 -0.33 -0.04 0.00 -1.56 0.00 0.00 34.95 32.91 3k57 s ARG 628 CO 0.13 0.09 0.15 -1.64 -0.81 0.00 0.00 175.30 173.22 3k57 s MET 629 N -0.26 3.32 -0.10 5.12 -1.94 -1.26 0.31 119.30 124.49 3k57 s MET 629 Ca 0.00 -0.37 0.03 0.00 -1.71 0.00 0.00 55.69 53.64 3k57 s MET 629 Cb -0.03 -3.02 0.01 0.00 2.01 0.00 0.00 34.83 33.80 3k57 s MET 629 CO -0.00 0.67 -0.20 0.08 -0.01 0.00 0.00 175.02 175.56 3k57 s VAL 630 N -1.28 1.77 -0.13 -6.03 1.01 0.58 -4.98 120.40 111.35 3k57 s VAL 630 Ca 0.26 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3k57 s VAL 630 Cb -0.12 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.69 3k57 s VAL 630 CO 0.17 0.50 -0.21 -0.36 0.00 0.00 0.00 175.10 175.20 3k57 s PHE 631 N 0.63 2.66 -0.19 5.22 0.08 -1.26 -0.89 117.98 124.23 3k57 s PHE 631 Ca -0.13 -1.16 0.00 0.00 0.12 0.00 0.00 56.93 55.76 3k57 s PHE 631 Cb -0.16 -1.79 0.02 0.00 -0.57 0.00 0.00 43.02 40.51 3k57 s PHE 631 CO 0.04 -0.51 -0.17 0.15 -0.10 0.00 0.00 175.22 174.63 3k57 s LYS 632 N 0.63 3.03 0.00 0.44 -0.14 0.94 -4.79 119.74 119.85 3k57 s LYS 632 Ca -0.11 -0.81 0.00 0.00 -1.36 0.00 0.00 55.97 53.69 3k57 s LYS 632 Cb -0.16 -2.64 0.00 0.00 -1.68 0.00 0.00 37.83 33.34 3k57 s LYS 632 CO 0.02 -0.22 0.00 0.41 -0.76 0.00 0.00 175.35 174.81 3k57 n GLY 633 N 4.64 2.04 3.68 -3.33 0.00 -1.26 -1.19 105.19 109.78 3k57 n GLY 633 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 3k57 n GLY 633 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k57 s LEU 634 N 0.00 2.04 0.39 0.99 1.43 -1.26 -4.77 118.68 117.49 3k57 s LEU 634 Ca 0.00 1.49 0.18 0.00 -1.03 0.00 0.00 54.13 54.77 3k57 s LEU 634 Cb 0.00 -3.82 1.09 0.00 0.03 0.00 0.00 46.19 43.49 3k57 s LEU 634 CO 0.00 -2.92 1.76 -0.33 0.23 0.00 0.00 176.35 175.09 3k57 h GLU 635 N -1.74 0.39 -0.49 1.70 3.07 -1.93 0.16 114.58 115.73 3k57 h GLU 635 Ca -0.51 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.38 3k57 h GLU 635 Cb 1.29 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 29.09 3k57 h GLU 635 CO 0.54 0.26 0.33 1.15 -1.40 0.00 0.00 179.01 179.88 3k57 h THR 636 N 0.40 0.99 -0.53 1.13 2.02 -1.88 -1.05 112.91 114.00 3k57 h THR 636 Ca 0.61 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 67.53 3k57 h THR 636 Cb 1.52 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 68.36 3k57 h THR 636 CO -0.32 0.08 0.10 1.33 0.37 0.00 0.00 175.52 177.08 3k57 n VAL 637 N -4.48 2.68 -3.99 3.16 0.24 0.55 -4.90 118.33 111.59 3k57 n VAL 637 Ca 0.06 -1.77 -0.34 0.00 -2.04 0.00 0.00 64.34 60.25 3k57 n VAL 637 Cb 0.22 -0.31 -0.15 0.00 -1.47 0.00 0.00 33.84 32.13 3k57 n VAL 637 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3k57 s ARG 638 N -2.93 3.01 0.12 7.34 0.52 -0.40 -4.84 118.95 121.78 3k57 s ARG 638 Ca 0.50 -0.85 0.13 0.00 -0.52 0.00 0.00 55.73 54.99 3k57 s ARG 638 Cb 0.40 -2.89 0.60 0.00 0.52 0.00 0.00 34.95 33.59 3k57 s ARG 638 CO 0.11 -0.30 1.40 0.25 0.02 0.00 0.00 175.30 176.78 3k57 n THR 639 N 4.69 1.33 -0.04 0.02 -2.24 -1.26 -2.28 114.28 114.49 3k57 n THR 639 Ca -0.18 0.45 0.09 0.00 -2.27 0.00 0.00 64.05 62.14 3k57 n THR 639 Cb 0.49 -1.38 0.28 0.00 -2.10 0.00 0.00 70.33 67.61 3k57 n THR 639 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k57 n ASP 640 N -1.82 3.57 -4.71 3.42 5.75 -1.26 -4.41 116.55 117.10 3k57 n ASP 640 Ca 0.01 -2.18 -0.26 0.00 -0.01 0.00 0.00 54.79 52.35 3k57 n ASP 640 Cb 0.09 -0.46 -0.07 0.00 -1.03 0.00 0.00 41.12 39.65 3k57 n ASP 640 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3k57 s TRP 641 N -1.50 2.94 0.61 2.11 0.52 -0.97 -4.70 118.94 117.95 3k57 s TRP 641 Ca 0.41 -0.11 -0.14 0.00 0.02 0.00 0.00 56.10 56.28 3k57 s TRP 641 Cb 0.24 -1.41 -0.03 0.00 -1.15 0.00 0.00 33.47 31.12 3k57 s TRP 641 CO 0.23 0.52 1.05 0.95 0.02 0.00 0.00 176.95 179.73 3k57 s THR 642 N -1.79 4.03 0.38 2.01 -4.23 -1.26 -4.80 115.64 109.98 3k57 s THR 642 Ca 0.29 0.86 0.05 0.00 -1.18 0.00 0.00 61.69 61.71 3k57 s THR 642 Cb -0.09 -3.46 0.27 0.00 1.34 0.00 0.00 72.50 70.55 3k57 s THR 642 CO 0.20 -0.66 2.03 -0.65 -0.54 0.00 0.00 174.62 175.00 3k57 h PRO 643 N 0.16 0.68 -0.21 3.99 0.11 -1.73 -1.10 132.00 133.90 3k57 h PRO 643 Ca -0.46 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.66 3k57 h PRO 643 Cb 1.21 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 3k57 h PRO 643 CO 0.58 0.45 -0.09 1.25 -0.21 0.00 0.00 178.00 179.98 3k57 h LEU 644 N 0.70 -0.32 -0.38 2.35 5.85 -1.54 0.39 115.31 122.36 3k57 h LEU 644 Ca 0.20 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.87 3k57 h LEU 644 Cb -0.06 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3k57 h LEU 644 CO -0.04 -0.12 -0.26 0.00 -0.34 0.00 0.00 178.44 177.67 3k57 h ALA 645 N 1.12 0.54 -0.55 1.25 0.00 -1.62 -2.15 119.26 117.85 3k57 h ALA 645 Ca 0.11 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3k57 h ALA 645 Cb 0.24 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3k57 h ALA 645 CO -0.25 0.55 0.27 1.96 0.00 0.00 0.00 179.25 181.77 3k57 h GLN 646 N 0.65 0.79 -0.33 0.00 4.20 -0.96 -0.64 115.11 118.81 3k57 h GLN 646 Ca 0.08 -0.11 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 3k57 h GLN 646 Cb 0.83 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 3k57 h GLN 646 CO 0.07 0.64 -0.23 0.37 -0.67 0.00 0.00 178.83 179.02 3k57 h GLN 647 N 0.74 0.75 -0.30 1.46 4.15 -0.95 -2.51 115.11 118.45 3k57 h GLN 647 Ca 0.19 -0.35 0.03 0.00 0.77 0.00 0.00 58.65 59.28 3k57 h GLN 647 Cb 0.11 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 3k57 h GLN 647 CO -0.02 0.97 0.13 0.35 -1.93 0.00 0.00 178.83 178.32 3k57 h PHE 648 N 0.52 0.23 -0.30 3.99 3.57 -1.20 -1.43 116.94 122.32 3k57 h PHE 648 Ca 0.07 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3k57 h PHE 648 Cb 0.79 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3k57 h PHE 648 CO 0.06 0.12 0.18 0.37 -2.23 0.00 0.00 178.31 176.81 3k57 h GLN 649 N 0.27 0.40 -0.29 1.11 4.15 -1.06 0.07 115.11 119.77 3k57 h GLN 649 Ca 0.13 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 3k57 h GLN 649 Cb 0.07 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3k57 h GLN 649 CO -0.11 0.31 0.14 1.96 -1.93 0.00 0.00 178.83 179.20 3k57 h GLN 650 N 0.38 0.42 -0.46 1.69 4.20 -1.26 0.36 115.11 120.44 3k57 h GLN 650 Ca 0.11 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.64 3k57 h GLN 650 Cb 0.01 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3k57 h GLN 650 CO -0.02 0.39 -0.19 0.93 -0.67 0.00 0.00 178.83 179.28 3k57 h GLU 651 N 0.34 0.92 -0.20 1.46 5.08 -1.15 -0.92 114.58 120.10 3k57 h GLU 651 Ca 0.10 -0.37 -0.10 0.00 -1.00 0.00 0.00 59.36 58.00 3k57 h GLU 651 Cb 0.11 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3k57 h GLU 651 CO -0.01 1.02 -0.25 1.25 -1.00 0.00 0.00 179.01 180.01 3k57 h LEU 652 N 0.80 0.56 -0.62 1.33 5.85 -0.89 -2.15 115.31 120.20 3k57 h LEU 652 Ca 0.11 -0.50 -0.06 0.00 0.84 0.00 0.00 57.88 58.27 3k57 h LEU 652 Cb 0.73 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3k57 h LEU 652 CO 0.06 0.96 0.15 1.88 -0.34 0.00 0.00 178.44 181.14 3k57 h TYR 653 N 0.18 1.04 -0.53 1.25 0.99 -0.91 -1.16 116.97 117.85 3k57 h TYR 653 Ca 0.02 -0.12 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 3k57 h TYR 653 Cb 0.82 -0.29 -0.02 0.00 1.00 0.00 0.00 36.73 38.23 3k57 h TYR 653 CO 0.09 0.87 0.29 1.25 -0.00 0.00 0.00 178.16 180.66 3k57 h LEU 654 N 0.91 0.66 0.01 3.88 5.85 -1.17 0.35 115.31 125.80 3k57 h LEU 654 Ca 0.19 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3k57 h LEU 654 Cb 0.36 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3k57 h LEU 654 CO 0.00 0.56 -0.01 0.03 -0.34 0.00 0.00 178.44 178.68 3k57 h ARG 655 N 0.70 -0.02 -0.73 1.25 3.08 -1.05 -1.24 114.38 116.38 3k57 h ARG 655 Ca 0.19 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 3k57 h ARG 655 Cb 0.04 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3k57 h ARG 655 CO -0.03 0.02 0.28 0.82 -1.07 0.00 0.00 179.97 179.99 3k57 h ILE 656 N -0.05 1.25 -0.13 2.04 2.04 -0.90 0.18 117.51 121.94 3k57 h ILE 656 Ca -0.00 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 3k57 h ILE 656 Cb 0.05 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3k57 h ILE 656 CO 0.00 0.32 -0.07 -0.26 0.00 0.00 0.00 178.15 178.14 3k57 h PHE 657 N 1.06 0.20 -0.51 1.37 0.04 -0.04 -1.45 116.94 117.61 3k57 h PHE 657 Ca 0.24 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.00 3k57 h PHE 657 Cb 0.22 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3k57 h PHE 657 CO 0.02 0.28 0.00 0.54 -0.60 0.00 0.00 178.31 178.55 3k57 n ARG 658 N -4.35 2.17 -2.45 1.51 1.74 -0.49 -4.92 116.66 109.88 3k57 n ARG 658 Ca -0.01 -1.82 -0.18 0.00 -0.77 0.00 0.00 57.85 55.06 3k57 n ARG 658 Cb 0.21 -1.39 -0.01 0.00 -1.02 0.00 0.00 32.46 30.25 3k57 n ARG 658 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3k57 n ASN 659 N 0.98 -5.29 -4.95 0.55 3.02 -0.55 -4.98 115.26 104.05 3k57 n ASN 659 Ca 0.17 0.03 -0.23 0.00 -0.03 0.00 0.00 54.58 54.52 3k57 n ASN 659 Cb 0.43 -4.41 0.03 0.00 -0.61 0.00 0.00 39.78 35.21 3k57 n ASN 659 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3k57 s GLU 660 N -5.08 2.75 0.43 3.52 2.02 0.55 -4.99 118.70 117.89 3k57 s GLU 660 Ca 0.02 -0.46 -0.25 0.00 0.02 0.00 0.00 54.97 54.30 3k57 s GLU 660 Cb -0.01 -2.43 -0.08 0.00 0.10 0.00 0.00 34.13 31.71 3k57 s GLU 660 CO 0.02 -0.63 1.22 -2.14 0.02 0.00 0.00 175.26 173.76 3k57 s PRO 661 N -4.80 3.89 0.00 0.39 0.02 -1.26 -4.50 135.00 128.74 3k57 s PRO 661 Ca 0.54 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.51 3k57 s PRO 661 Cb -0.10 -2.61 0.00 0.00 0.02 0.00 0.00 34.50 31.81 3k57 s PRO 661 CO 0.40 -0.49 0.00 2.48 -0.33 0.00 0.00 177.00 179.06 3k57 n TYR 662 N -0.12 0.00 -0.16 6.54 0.18 -1.26 -4.85 117.16 117.48 3k57 n TYR 662 Ca 0.05 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.77 3k57 n TYR 662 Cb 0.46 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.45 3k57 n TYR 662 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 3k57 h GLN 663 N 0.00 0.57 -0.59 -3.48 4.20 -2.00 -1.14 115.11 112.68 3k57 h GLN 663 Ca 0.00 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3k57 h GLN 663 Cb 0.00 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 3k57 h GLN 663 CO 0.00 0.38 0.10 1.49 -0.67 0.00 0.00 178.83 180.12 3k57 h GLU 664 N 0.58 0.94 -0.68 1.46 4.57 -1.99 -1.19 114.58 118.27 3k57 h GLU 664 Ca 0.20 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 3k57 h GLU 664 Cb 0.02 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 3k57 h GLU 664 CO -0.09 0.87 0.38 -0.92 -1.18 0.00 0.00 179.01 178.07 3k57 h TYR 665 N 0.89 0.93 -0.02 0.92 3.20 -1.73 0.27 116.97 121.43 3k57 h TYR 665 Ca 0.18 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3k57 h TYR 665 Cb 0.38 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 3k57 h TYR 665 CO 0.02 0.65 0.01 0.28 -1.64 0.00 0.00 178.16 177.48 3k57 h VAL 666 N 0.93 1.18 -0.87 1.81 2.07 -0.81 -0.38 116.25 120.18 3k57 h VAL 666 Ca 0.24 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.24 3k57 h VAL 666 Cb 0.03 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 3k57 h VAL 666 CO -0.04 0.14 0.57 0.03 0.02 0.00 0.00 177.57 178.30 3k57 h ARG 667 N -0.18 1.12 -0.49 1.57 3.08 -0.95 -1.19 114.38 117.33 3k57 h ARG 667 Ca 0.01 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 3k57 h ARG 667 Cb 0.23 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3k57 h ARG 667 CO -0.00 0.74 -0.07 1.49 -1.07 0.00 0.00 179.97 181.06 3k57 h GLU 668 N 1.15 0.87 -0.25 0.04 4.57 -0.37 -0.55 114.58 120.04 3k57 h GLU 668 Ca 0.33 -0.28 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 3k57 h GLU 668 Cb -0.08 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 3k57 h GLU 668 CO -0.09 0.91 0.04 1.15 -1.18 0.00 0.00 179.01 179.85 3k57 h THR 669 N 0.79 1.23 -0.50 0.32 2.02 -0.50 -1.66 112.91 114.61 3k57 h THR 669 Ca 0.14 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 3k57 h THR 669 Cb 0.57 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 3k57 h THR 669 CO 0.03 0.25 0.20 0.40 0.37 0.00 0.00 175.52 176.77 3k57 h ILE 670 N 0.23 1.21 -0.55 3.11 2.04 -1.12 -1.69 117.51 120.74 3k57 h ILE 670 Ca 0.08 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 3k57 h ILE 670 Cb 0.33 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3k57 h ILE 670 CO 0.01 0.25 0.31 -0.78 0.00 0.00 0.00 178.15 177.94 3k57 h ASP 671 N 0.67 0.68 -0.34 1.72 3.58 -1.02 -1.71 116.42 119.99 3k57 h ASP 671 Ca 0.17 -0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.46 3k57 h ASP 671 Cb 0.20 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 3k57 h ASP 671 CO -0.01 0.56 -0.05 0.11 -2.88 0.00 0.00 179.24 176.97 3k57 h LYS 672 N 0.74 0.74 -0.01 0.28 1.57 -1.17 -1.24 116.57 117.49 3k57 h LYS 672 Ca 0.20 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3k57 h LYS 672 Cb 0.02 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3k57 h LYS 672 CO -0.03 0.79 0.00 1.25 -0.57 0.00 0.00 179.45 180.89 3k57 h LEU 673 N 0.69 0.02 -1.30 2.94 5.85 -0.94 -0.95 115.31 121.61 3k57 h LEU 673 Ca 0.13 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3k57 h LEU 673 Cb 0.49 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3k57 h LEU 673 CO 0.03 0.21 0.00 0.24 -0.34 0.00 0.00 178.44 178.58 3k57 h MET 674 N -0.18 0.00 -0.58 1.25 2.86 -1.22 -1.85 114.93 115.20 3k57 h MET 674 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3k57 h MET 674 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 3k57 h MET 674 CO -0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 3k57 n ALA 675 N -1.93 2.54 -2.23 6.32 0.00 -0.48 -4.92 120.51 119.81 3k57 n ALA 675 Ca 0.01 -1.05 -0.17 0.00 0.00 0.00 0.00 53.44 52.23 3k57 n ALA 675 Cb 0.23 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 3k57 n ALA 675 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k57 n GLY 676 N 1.30 -0.11 0.18 0.00 0.00 -0.70 -4.90 105.19 100.96 3k57 n GLY 676 Ca 0.19 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.14 3k57 n GLY 676 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k57 n GLU 677 N -2.59 0.48 -0.63 1.61 1.02 -0.39 -4.40 120.64 115.73 3k57 n GLU 677 Ca -0.20 -0.36 0.03 0.00 -0.02 0.00 0.00 57.16 56.61 3k57 n GLU 677 Cb 0.64 -1.49 0.20 0.00 -0.02 0.00 0.00 31.44 30.77 3k57 n GLU 677 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3k57 n LEU 678 N -0.95 3.22 -0.11 -4.62 4.77 -1.24 -4.82 117.00 113.25 3k57 n LEU 678 Ca 0.07 -3.78 0.13 0.00 -0.03 0.00 0.00 56.01 52.41 3k57 n LEU 678 Cb 0.37 -0.56 0.51 0.00 -2.33 0.00 0.00 43.42 41.41 3k57 n LEU 678 CO 0.34 1.29 1.20 0.44 -1.33 0.00 0.00 177.39 179.33 3k57 h ASP 679 N 0.95 0.37 0.27 -1.43 5.19 -1.93 -1.85 116.42 117.99 3k57 h ASP 679 Ca 0.08 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3k57 h ASP 679 Cb 1.25 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.69 3k57 h ASP 679 CO 0.14 0.21 0.00 0.00 -3.12 0.00 0.00 179.24 176.47 3k57 n ALA 680 N -2.52 1.30 0.48 3.45 0.00 -1.26 -2.42 120.51 119.54 3k57 n ALA 680 Ca 0.11 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.70 3k57 n ALA 680 Cb 0.44 -1.21 0.13 0.00 0.00 0.00 0.00 19.45 18.81 3k57 n ALA 680 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k57 n ARG 681 N -1.82 1.93 -0.18 0.00 1.74 -0.69 -4.60 116.66 113.04 3k57 n ARG 681 Ca 0.01 -1.84 0.10 0.00 -0.77 0.00 0.00 57.85 55.35 3k57 n ARG 681 Cb 0.09 -1.39 0.27 0.00 -1.02 0.00 0.00 32.46 30.42 3k57 n ARG 681 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3k57 n LEU 682 N 1.10 2.63 -4.71 0.55 4.77 -1.01 -1.27 117.00 119.05 3k57 n LEU 682 Ca 0.13 -1.19 -0.42 0.00 -0.03 0.00 0.00 56.01 54.50 3k57 n LEU 682 Cb 0.49 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 3k57 n LEU 682 CO 0.12 0.59 0.69 -0.69 -1.33 0.00 0.00 177.39 176.78 3k57 s VAL 683 N -1.53 4.78 -0.00 4.08 1.01 -1.26 -4.63 120.40 122.84 3k57 s VAL 683 Ca 0.35 2.03 -0.09 0.00 0.00 0.00 0.00 61.98 64.27 3k57 s VAL 683 Cb 0.19 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 3k57 s VAL 683 CO 0.27 0.18 0.31 -0.31 0.00 0.00 0.00 175.10 175.54 3k57 s TYR 684 N 0.88 3.62 -0.08 5.22 2.02 0.39 -4.44 117.35 124.97 3k57 s TYR 684 Ca 0.52 0.71 0.01 0.00 -0.37 0.00 0.00 57.07 57.94 3k57 s TYR 684 Cb -0.22 -2.09 0.02 0.00 -0.40 0.00 0.00 41.96 39.28 3k57 s TYR 684 CO 0.28 0.62 -0.09 0.50 -1.57 0.00 0.00 175.55 175.30 3k57 s ARG 685 N -1.50 1.46 -0.09 -0.62 3.52 -1.26 -1.46 118.95 118.99 3k57 s ARG 685 Ca 0.26 -0.29 -0.16 0.00 -0.13 0.00 0.00 55.73 55.40 3k57 s ARG 685 Cb -0.14 -1.35 0.04 0.00 -1.56 0.00 0.00 34.95 31.94 3k57 s ARG 685 CO 0.14 -0.09 0.39 0.21 -0.81 0.00 0.00 175.30 175.14 3k57 s LYS 686 N 1.06 0.59 0.25 5.12 2.20 -0.78 -4.10 119.74 124.08 3k57 s LYS 686 Ca -0.07 0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 55.50 3k57 s LYS 686 Cb -0.14 0.28 -0.09 0.00 -1.51 0.00 0.00 37.83 36.36 3k57 s LYS 686 CO -0.01 -0.12 0.97 1.03 -0.36 0.00 0.00 175.35 176.85 3k57 s ARG 687 N -0.45 4.82 -0.48 4.03 0.52 -1.26 -0.56 118.95 125.56 3k57 s ARG 687 Ca -0.06 1.54 -0.17 0.00 -0.52 0.00 0.00 55.73 56.52 3k57 s ARG 687 Cb -0.03 -3.26 0.06 0.00 0.52 0.00 0.00 34.95 32.24 3k57 s ARG 687 CO 0.03 0.46 0.50 -0.51 0.02 0.00 0.00 175.30 175.81 3k57 s LEU 688 N -1.24 5.26 0.00 2.53 1.43 0.31 -4.90 118.68 122.07 3k57 s LEU 688 Ca 0.42 -1.08 0.28 0.00 -1.03 0.00 0.00 54.13 52.72 3k57 s LEU 688 Cb -0.27 -2.32 1.14 0.00 0.03 0.00 0.00 46.19 44.77 3k57 s LEU 688 CO 0.33 -0.75 1.81 0.54 0.23 0.00 0.00 176.35 178.51 3k57 n ARG 689 N 5.68 0.62 -4.24 1.70 1.74 -1.26 -2.39 116.66 118.50 3k57 n ARG 689 Ca -0.09 -0.23 -0.17 0.00 -0.77 0.00 0.00 57.85 56.59 3k57 n ARG 689 Cb 0.45 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.28 3k57 n ARG 689 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3k57 s ARG 690 N -2.54 1.03 0.47 5.56 0.52 -1.26 -4.95 118.95 117.78 3k57 s ARG 690 Ca 0.26 -1.30 -0.24 0.00 -0.52 0.00 0.00 55.73 53.94 3k57 s ARG 690 Cb 0.20 -0.82 -0.07 0.00 0.52 0.00 0.00 34.95 34.78 3k57 s ARG 690 CO 0.49 0.14 1.29 -2.14 0.02 0.00 0.00 175.30 175.11 3k57 s PRO 691 N -2.97 3.62 0.38 3.54 0.02 -1.26 -3.91 135.00 134.41 3k57 s PRO 691 Ca 0.11 2.10 0.10 0.00 0.02 0.00 0.00 61.00 63.33 3k57 s PRO 691 Cb -0.03 -2.49 0.87 0.00 0.02 0.00 0.00 34.50 32.87 3k57 s PRO 691 CO 0.02 -0.76 1.91 1.25 -0.33 0.00 0.00 177.00 179.09 3k57 h LEU 692 N 2.08 0.57 -0.88 -5.54 5.85 -1.42 -0.37 115.31 115.60 3k57 h LEU 692 Ca -0.50 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3k57 h LEU 692 Cb 1.27 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3k57 h LEU 692 CO 0.60 0.32 0.00 0.77 -0.34 0.00 0.00 178.44 179.79 3k57 h SER 693 N 0.62 0.00 0.41 1.25 4.64 -1.90 -2.99 113.55 115.58 3k57 h SER 693 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3k57 h SER 693 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3k57 h SER 693 CO -0.15 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.19 3k57 n GLU 694 N -2.41 0.42 -2.81 4.77 1.02 -0.15 -4.55 120.64 116.93 3k57 n GLU 694 Ca 0.02 0.04 -0.43 0.00 -0.02 0.00 0.00 57.16 56.77 3k57 n GLU 694 Cb 0.24 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.12 3k57 n GLU 694 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3k57 s TYR 695 N -2.49 2.66 -0.14 -0.32 2.02 -1.13 -4.77 117.35 113.18 3k57 s TYR 695 Ca 0.26 -0.59 -0.00 0.00 -0.37 0.00 0.00 57.07 56.37 3k57 s TYR 695 Cb 0.17 -4.35 -0.09 0.00 -0.40 0.00 0.00 41.96 37.29 3k57 s TYR 695 CO 0.38 -1.70 -0.13 1.04 -1.57 0.00 0.00 175.55 173.56 3k57 n GLN 696 N 7.85 0.34 -0.16 -0.62 6.02 -1.26 -4.71 117.38 124.83 3k57 n GLN 696 Ca 0.02 0.09 0.04 0.00 -0.01 0.00 0.00 57.00 57.13 3k57 n GLN 696 Cb 0.46 -1.24 0.32 0.00 1.02 0.00 0.00 30.24 30.81 3k57 n GLN 696 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k57 h ARG 697 N -0.07 0.80 0.00 -1.09 3.08 -1.99 -3.46 114.38 111.65 3k57 h ARG 697 Ca -0.32 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 3k57 h ARG 697 Cb 1.46 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3k57 h ARG 697 CO -0.07 0.53 0.18 0.27 -1.07 0.00 0.00 179.97 179.81 3k57 n ASN 698 N -4.46 -1.34 -3.90 7.04 0.23 -1.26 -5.13 115.26 106.45 3k57 n ASN 698 Ca 0.08 -1.91 -0.30 0.00 -0.53 0.00 0.00 54.58 51.92 3k57 n ASN 698 Cb 0.11 2.22 -0.15 0.00 -2.08 0.00 0.00 39.78 39.89 3k57 n ASN 698 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3k57 s VAL 699 N -2.44 1.56 0.60 3.53 1.01 -1.26 -4.88 120.40 118.52 3k57 s VAL 699 Ca 0.10 -1.66 -0.18 0.00 0.00 0.00 0.00 61.98 60.24 3k57 s VAL 699 Cb -0.03 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 3k57 s VAL 699 CO 0.07 -0.46 1.15 -2.84 0.00 0.00 0.00 175.10 173.02 3k57 s PRO 700 N 1.30 3.00 0.27 2.72 0.02 -1.26 -4.79 135.00 136.26 3k57 s PRO 700 Ca 0.05 1.62 -0.01 0.00 0.02 0.00 0.00 61.00 62.69 3k57 s PRO 700 Cb -0.18 -1.96 0.53 0.00 0.02 0.00 0.00 34.50 32.91 3k57 s PRO 700 CO -0.13 -1.13 1.79 -1.00 -0.33 0.00 0.00 177.00 176.19 3k57 h PRO 701 N 0.68 0.72 -0.36 5.54 0.13 -1.99 -0.82 132.00 135.90 3k57 h PRO 701 Ca -0.49 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.52 3k57 h PRO 701 Cb 1.27 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 3k57 h PRO 701 CO 0.55 0.47 -0.09 1.12 -0.23 0.00 0.00 178.00 179.82 3k57 h HIS 702 N 0.74 0.66 -0.54 1.56 2.07 -1.98 -0.92 115.15 116.75 3k57 h HIS 702 Ca 0.47 -0.10 -0.09 0.00 -2.85 0.00 0.00 60.37 57.79 3k57 h HIS 702 Cb 0.59 -0.18 -0.02 0.00 2.57 0.00 0.00 27.41 30.37 3k57 h HIS 702 CO -0.06 0.69 -0.03 0.28 -3.07 0.00 0.00 177.93 175.74 3k57 h VAL 703 N 0.57 1.26 -0.54 6.12 2.07 -1.61 0.62 116.25 124.74 3k57 h VAL 703 Ca 0.10 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 3k57 h VAL 703 Cb 0.50 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3k57 h VAL 703 CO 0.03 0.41 0.16 -0.09 0.02 0.00 0.00 177.57 178.09 3k57 h ARG 704 N 0.86 0.85 -0.50 1.57 2.43 -0.64 0.46 114.38 119.41 3k57 h ARG 704 Ca 0.15 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 3k57 h ARG 704 Cb 0.56 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3k57 h ARG 704 CO 0.03 0.78 0.03 0.00 -1.51 0.00 0.00 179.97 179.31 3k57 h ALA 705 N 1.03 1.11 -0.40 2.80 0.00 -0.66 0.13 119.26 123.26 3k57 h ALA 705 Ca 0.17 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3k57 h ALA 705 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3k57 h ALA 705 CO -0.00 0.57 -0.11 0.00 0.00 0.00 0.00 179.25 179.71 3k57 h ALA 706 N 1.26 0.56 -0.58 0.00 0.00 -0.46 0.20 119.26 120.24 3k57 h ALA 706 Ca 0.15 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3k57 h ALA 706 Cb 0.42 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3k57 h ALA 706 CO 0.01 0.44 0.18 0.00 0.00 0.00 0.00 179.25 179.89 3k57 h ARG 707 N 0.60 0.87 -0.39 0.00 3.08 -0.56 0.52 114.38 118.51 3k57 h ARG 707 Ca 0.10 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 3k57 h ARG 707 Cb 0.64 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3k57 h ARG 707 CO 0.04 0.76 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.59 3k57 h LEU 708 N 0.85 0.71 -0.54 3.04 3.38 -0.36 -1.94 115.31 120.45 3k57 h LEU 708 Ca 0.19 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3k57 h LEU 708 Cb 0.25 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3k57 h LEU 708 CO -0.01 0.87 0.26 0.00 0.09 0.00 0.00 178.44 179.65 3k57 h ALA 709 N 0.86 0.69 0.00 1.53 0.00 0.14 -1.16 119.26 121.33 3k57 h ALA 709 Ca 0.11 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3k57 h ALA 709 Cb 0.52 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3k57 h ALA 709 CO 0.03 0.25 -0.60 -0.44 0.00 0.00 0.00 179.25 178.48 3k57 h ASP 710 N 0.72 0.00 -0.43 0.00 3.32 -0.91 0.17 116.42 119.29 3k57 h ASP 710 Ca 0.19 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 3k57 h ASP 710 Cb 0.11 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3k57 h ASP 710 CO -0.02 0.60 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.68 3k57 h GLU 711 N 0.00 0.89 -0.37 3.56 5.08 -1.15 -0.72 114.58 121.87 3k57 h GLU 711 Ca -0.01 -0.30 -0.14 0.00 -1.00 0.00 0.00 59.36 57.92 3k57 h GLU 711 Cb 1.11 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3k57 h GLU 711 CO 0.08 0.94 -0.32 1.49 -1.00 0.00 0.00 179.01 180.20 3k57 h GLU 712 N 0.80 0.80 -0.33 2.33 4.57 -0.69 -2.45 114.58 119.61 3k57 h GLU 712 Ca 0.14 -0.38 0.02 0.00 -1.18 0.00 0.00 59.36 57.96 3k57 h GLU 712 Cb 0.60 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 3k57 h GLU 712 CO 0.04 1.01 0.17 -0.91 -1.18 0.00 0.00 179.01 178.14 3k57 h ASN 713 N 0.68 0.26 0.69 1.04 2.35 -0.19 -1.85 115.58 118.56 3k57 h ASN 713 Ca 0.07 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 3k57 h ASN 713 Cb 0.86 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.19 3k57 h ASN 713 CO 0.08 0.19 -0.13 0.06 -1.65 0.00 0.00 177.43 175.98 3k57 h GLN 714 N 0.35 0.00 0.00 0.81 3.07 -0.97 -0.90 115.11 117.47 3k57 h GLN 714 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.87 3k57 h GLN 714 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.59 3k57 h GLN 714 CO -0.08 0.13 0.00 0.87 0.09 0.00 0.00 178.83 179.84 3k57 h LYS 715 N 0.00 0.00 -0.18 0.06 1.57 -0.86 -2.92 116.57 114.24 3k57 h LYS 715 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3k57 h LYS 715 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3k57 h LYS 715 CO 0.02 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.44 3k57 n ARG 716 N -2.66 1.83 -1.83 3.15 1.74 -0.59 -4.98 116.66 113.32 3k57 n ARG 716 Ca 0.02 -1.59 -0.09 0.00 -0.77 0.00 0.00 57.85 55.42 3k57 n ARG 716 Cb 0.30 -1.21 -0.02 0.00 -1.02 0.00 0.00 32.46 30.52 3k57 n ARG 716 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k57 n GLY 717 N 0.42 0.40 3.81 -0.13 0.00 -0.79 -5.02 105.19 103.88 3k57 n GLY 717 Ca 0.08 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 3k57 n GLY 717 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k57 s ARG 718 N -3.81 3.01 0.52 1.61 0.52 -0.45 -5.02 118.95 115.32 3k57 s ARG 718 Ca 0.00 -0.68 -0.23 0.00 -0.52 0.00 0.00 55.73 54.30 3k57 s ARG 718 Cb 0.00 -2.77 -0.06 0.00 0.52 0.00 0.00 34.95 32.63 3k57 s ARG 718 CO 0.00 0.55 1.34 -2.30 0.02 0.00 0.00 175.30 174.91 3k57 n PRO 719 N 0.20 1.78 -2.24 3.54 -0.02 -1.26 -4.14 135.00 132.85 3k57 n PRO 719 Ca -0.08 0.65 -0.36 0.00 -2.02 0.00 0.00 63.50 61.69 3k57 n PRO 719 Cb 0.52 -2.54 -0.00 0.00 -0.02 0.00 0.00 33.50 31.46 3k57 n PRO 719 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3k57 s LEU 720 N -3.01 3.83 -0.05 2.45 1.43 -1.26 -4.91 118.68 117.17 3k57 s LEU 720 Ca 0.69 2.23 0.03 0.00 -1.03 0.00 0.00 54.13 56.05 3k57 s LEU 720 Cb -0.43 -4.47 -0.05 0.00 0.03 0.00 0.00 46.19 41.27 3k57 s LEU 720 CO 0.52 -1.14 0.01 0.00 0.23 0.00 0.00 176.35 175.97 3k57 n GLN 721 N -1.04 2.80 -0.49 1.70 6.02 -1.26 -4.82 117.38 120.30 3k57 n GLN 721 Ca 0.10 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.18 3k57 n GLN 721 Cb 0.50 -1.11 0.29 0.00 1.02 0.00 0.00 30.24 30.93 3k57 n GLN 721 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3k57 n TYR 722 N -2.24 1.14 -0.02 1.08 4.01 -1.26 -4.66 117.16 115.21 3k57 n TYR 722 Ca -0.08 -0.68 -0.02 0.00 -0.16 0.00 0.00 57.90 56.96 3k57 n TYR 722 Cb 0.64 -0.24 0.23 0.00 -0.31 0.00 0.00 39.34 39.66 3k57 n TYR 722 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3k57 h GLN 723 N 2.89 0.58 -2.10 -0.72 1.08 -1.96 -3.37 115.11 111.52 3k57 h GLN 723 Ca 0.00 -0.16 -0.56 0.00 -1.45 0.00 0.00 58.65 56.48 3k57 h GLN 723 Cb 1.34 -0.07 -0.40 0.00 -0.05 0.00 0.00 27.48 28.30 3k57 h GLN 723 CO 0.20 0.66 -0.91 -1.71 -0.95 0.00 0.00 178.83 176.12 3k57 n ASN 724 N -4.22 1.95 -0.53 1.46 5.15 -1.26 -1.50 115.26 116.32 3k57 n ASN 724 Ca 0.01 -3.11 0.07 0.00 -0.60 0.00 0.00 54.58 50.95 3k57 n ASN 724 Cb 0.30 -0.64 -0.03 0.00 -0.53 0.00 0.00 39.78 38.89 3k57 n ASN 724 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3k57 n ARG 725 N 0.82 -1.15 0.00 1.20 1.74 -1.25 -4.92 116.66 113.10 3k57 n ARG 725 Ca 0.26 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 58.20 3k57 n ARG 725 Cb 0.50 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 3k57 n ARG 725 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k57 n GLY 726 N -3.15 0.90 3.21 -0.13 0.00 -1.01 -4.83 105.19 100.19 3k57 n GLY 726 Ca -0.02 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 3k57 n GLY 726 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k57 s THR 727 N -1.89 1.85 -0.07 2.61 2.01 -1.26 0.11 115.64 119.00 3k57 s THR 727 Ca 0.00 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.11 3k57 s THR 727 Cb 0.00 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 3k57 s THR 727 CO 0.00 0.52 -0.20 -0.51 -0.69 0.00 0.00 174.62 173.74 3k57 s ILE 728 N 0.06 2.53 -0.20 1.82 1.10 0.28 -4.95 121.20 121.83 3k57 s ILE 728 Ca -0.08 -0.89 -0.09 0.00 -0.51 0.00 0.00 60.65 59.08 3k57 s ILE 728 Cb -0.14 -1.97 -0.05 0.00 0.15 0.00 0.00 42.46 40.45 3k57 s ILE 728 CO 0.05 0.57 0.10 -0.54 -2.11 0.00 0.00 174.94 173.00 3k57 s LYS 729 N -0.21 4.06 0.19 3.50 1.02 -1.26 -1.86 119.74 125.18 3k57 s LYS 729 Ca -0.01 -0.29 -0.07 0.00 0.02 0.00 0.00 55.97 55.62 3k57 s LYS 729 Cb -0.13 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 3k57 s LYS 729 CO 0.03 0.23 0.27 1.52 -0.92 0.00 0.00 175.35 176.48 3k57 s TYR 730 N 0.52 0.66 0.10 3.18 -0.85 -0.53 -1.79 117.35 118.63 3k57 s TYR 730 Ca 0.06 -0.98 0.03 0.00 -0.52 0.00 0.00 57.07 55.65 3k57 s TYR 730 Cb -0.12 -0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.00 3k57 s TYR 730 CO 0.00 -0.75 -0.08 0.14 -1.52 0.00 0.00 175.55 173.34 3k57 s VAL 731 N -4.04 0.80 -0.40 -3.49 -7.23 -0.38 -0.46 120.40 105.20 3k57 s VAL 731 Ca 0.26 -1.76 -0.16 0.00 -1.81 0.00 0.00 61.98 58.50 3k57 s VAL 731 Cb 0.04 -1.48 0.01 0.00 0.56 0.00 0.00 36.38 35.51 3k57 s VAL 731 CO 0.06 -0.71 0.40 0.86 -0.31 0.00 0.00 175.10 175.40 3k57 s TRP 732 N -2.97 3.19 0.57 2.82 -0.11 -1.26 -1.59 118.94 119.59 3k57 s TRP 732 Ca 0.08 -0.31 0.07 0.00 1.22 0.00 0.00 56.10 57.15 3k57 s TRP 732 Cb 0.01 -2.79 0.07 0.00 -1.50 0.00 0.00 33.47 29.26 3k57 s TRP 732 CO -0.02 -0.61 0.79 0.95 -4.62 0.00 0.00 176.95 173.43 3k57 s THR 733 N 2.04 2.37 -0.70 5.86 -4.23 -0.76 -0.14 115.64 120.08 3k57 s THR 733 Ca 0.11 -0.89 0.19 0.00 -1.18 0.00 0.00 61.69 59.92 3k57 s THR 733 Cb -0.17 -2.48 0.18 0.00 1.34 0.00 0.00 72.50 71.37 3k57 s THR 733 CO 0.13 0.00 1.57 0.35 -0.54 0.00 0.00 174.62 176.13 3k57 n THR 734 N -2.29 0.97 -0.91 3.99 -2.24 -0.24 -1.62 114.28 111.95 3k57 n THR 734 Ca 0.13 0.28 0.08 0.00 -2.27 0.00 0.00 64.05 62.28 3k57 n THR 734 Cb 0.61 -1.15 0.27 0.00 -2.10 0.00 0.00 70.33 67.95 3k57 n THR 734 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3k57 n ASN 735 N -1.91 4.02 0.00 3.42 3.02 -1.26 -5.06 115.26 117.49 3k57 n ASN 735 Ca 0.02 -2.91 0.00 0.00 -0.03 0.00 0.00 54.58 51.66 3k57 n ASN 735 Cb 0.18 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 3k57 n ASN 735 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k57 n GLY 736 N -0.27 -3.20 3.72 7.41 0.00 -0.64 -4.95 105.19 107.26 3k57 n GLY 736 Ca 0.21 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 3k57 n GLY 736 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k57 s PRO 737 N -0.64 4.20 0.02 1.61 0.04 -1.26 -1.83 135.00 137.14 3k57 s PRO 737 Ca 0.00 2.41 0.04 0.00 0.04 0.00 0.00 61.00 63.49 3k57 s PRO 737 Cb 0.00 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 3k57 s PRO 737 CO 0.00 -0.63 -0.11 -1.21 0.04 0.00 0.00 177.00 175.09 3k57 s GLU 738 N 1.09 0.80 0.40 4.56 2.02 -0.62 -4.42 118.70 122.53 3k57 s GLU 738 Ca 0.71 -0.61 -0.27 0.00 0.02 0.00 0.00 54.97 54.82 3k57 s GLU 738 Cb -0.45 -0.76 -0.09 0.00 0.10 0.00 0.00 34.13 32.93 3k57 s GLU 738 CO 0.32 0.19 1.38 -1.25 0.02 0.00 0.00 175.26 175.92 3k57 s PRO 739 N -0.89 3.96 0.23 0.39 0.04 -1.26 -1.25 135.00 136.21 3k57 s PRO 739 Ca 0.00 2.33 -0.07 0.00 0.04 0.00 0.00 61.00 63.31 3k57 s PRO 739 Cb -0.07 -2.81 0.28 0.00 0.04 0.00 0.00 34.50 31.95 3k57 s PRO 739 CO 0.01 -0.57 1.84 1.25 0.04 0.00 0.00 177.00 179.57 3k57 h LEU 740 N 2.72 0.75 -1.64 -3.56 5.85 -1.66 -1.72 115.31 116.05 3k57 h LEU 740 Ca -0.50 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 3k57 h LEU 740 Cb 1.25 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3k57 h LEU 740 CO 0.63 0.49 0.00 0.44 -0.34 0.00 0.00 178.44 179.66 3k57 h ASP 741 N 0.89 0.20 -1.49 1.25 3.32 -1.90 -3.21 116.42 115.48 3k57 h ASP 741 Ca 0.34 -0.02 -0.49 0.00 0.02 0.00 0.00 57.03 56.87 3k57 h ASP 741 Cb 0.14 -0.05 -0.41 0.00 0.22 0.00 0.00 39.33 39.23 3k57 h ASP 741 CO -0.16 0.25 -0.94 -1.22 -1.72 0.00 0.00 179.24 175.44 3k57 n TYR 742 N -4.41 2.31 -2.57 4.55 4.01 -0.75 -5.06 117.16 115.24 3k57 n TYR 742 Ca -0.01 -3.20 -0.42 0.00 -0.16 0.00 0.00 57.90 54.11 3k57 n TYR 742 Cb 0.16 -0.28 -0.03 0.00 -0.31 0.00 0.00 39.34 38.88 3k57 n TYR 742 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3k57 s GLN 743 N -3.25 4.39 -0.10 -0.72 0.74 -0.72 -4.57 119.66 115.42 3k57 s GLN 743 Ca 0.40 1.54 0.07 0.00 0.05 0.00 0.00 55.36 57.41 3k57 s GLN 743 Cb 0.40 -3.55 -0.11 0.00 1.10 0.00 0.00 33.01 30.85 3k57 s GLN 743 CO -0.09 -0.38 0.00 0.54 -0.55 0.00 0.00 175.29 174.82 3k57 n ARG 744 N 5.08 1.93 -3.68 1.67 1.74 -1.26 -5.04 116.66 117.10 3k57 n ARG 744 Ca 0.10 0.01 -0.24 0.00 -0.77 0.00 0.00 57.85 56.95 3k57 n ARG 744 Cb 0.47 -1.25 -0.02 0.00 -1.02 0.00 0.00 32.46 30.64 3k57 n ARG 744 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3k57 s SER 745 N -4.44 6.33 0.46 0.55 0.01 -1.26 -5.08 113.70 110.28 3k57 s SER 745 Ca -0.08 0.31 -0.22 0.00 1.31 0.00 0.00 55.95 57.27 3k57 s SER 745 Cb 0.03 -1.97 -0.08 0.00 0.21 0.00 0.00 66.02 64.22 3k57 s SER 745 CO 0.38 -0.13 1.11 -2.16 0.41 0.00 0.00 173.24 172.85 3k57 s PRO 746 N -3.86 3.79 0.42 12.44 0.05 -1.26 -4.79 135.00 141.80 3k57 s PRO 746 Ca 0.37 1.62 -0.26 0.00 0.05 0.00 0.00 61.00 62.78 3k57 s PRO 746 Cb -0.10 -2.32 -0.09 0.00 0.05 0.00 0.00 34.50 32.03 3k57 s PRO 746 CO 0.31 -0.49 1.46 1.28 0.05 0.00 0.00 177.00 179.62 3k57 n LEU 747 N -0.60 5.03 -4.38 -3.56 4.77 -1.26 -1.08 117.00 115.91 3k57 n LEU 747 Ca 0.08 1.17 -0.45 0.00 -0.03 0.00 0.00 56.01 56.77 3k57 n LEU 747 Cb 0.50 -1.62 -0.03 0.00 -2.33 0.00 0.00 43.42 39.94 3k57 n LEU 747 CO 0.45 -0.00 0.56 -0.62 -1.33 0.00 0.00 177.39 176.45 3k57 s ASP 748 N -0.32 6.43 0.36 -1.43 -1.08 0.80 -4.59 116.67 116.83 3k57 s ASP 748 Ca 0.58 -1.86 0.06 0.00 -0.52 0.00 0.00 52.55 50.81 3k57 s ASP 748 Cb -0.46 -2.31 0.68 0.00 -1.46 0.00 0.00 42.92 39.38 3k57 s ASP 748 CO 0.60 -0.99 1.90 1.88 0.52 0.00 0.00 175.17 179.08 3k57 h TYR 749 N 8.79 0.43 -0.86 -5.34 0.05 -1.92 -2.11 116.97 116.01 3k57 h TYR 749 Ca -0.09 -0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.66 3k57 h TYR 749 Cb 1.06 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.63 3k57 h TYR 749 CO 0.97 0.46 0.57 1.49 -1.05 0.00 0.00 178.16 180.60 3k57 h GLU 750 N 0.40 1.13 -0.33 4.88 4.22 -1.97 -0.48 114.58 122.43 3k57 h GLU 750 Ca 0.09 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.46 3k57 h GLU 750 Cb 0.33 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3k57 h GLU 750 CO 0.01 0.75 0.21 1.25 -2.18 0.00 0.00 179.01 179.05 3k57 h HIS 751 N 1.17 0.42 -0.62 0.92 2.76 -1.77 -1.55 115.15 116.48 3k57 h HIS 751 Ca 0.32 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.44 3k57 h HIS 751 Cb -0.13 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.66 3k57 h HIS 751 CO -0.01 0.28 0.18 1.88 -1.30 0.00 0.00 177.93 178.95 3k57 h TYR 752 N 0.44 0.97 0.22 5.26 0.05 -1.14 0.19 116.97 122.96 3k57 h TYR 752 Ca 0.12 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 3k57 h TYR 752 Cb -0.03 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.43 3k57 h TYR 752 CO -0.05 0.79 -0.11 1.25 -1.05 0.00 0.00 178.16 178.99 3k57 h LEU 753 N 0.91 -0.25 -0.37 3.88 5.85 -0.82 -0.57 115.31 123.94 3k57 h LEU 753 Ca 0.20 -0.11 -0.19 0.00 0.84 0.00 0.00 57.88 58.62 3k57 h LEU 753 Cb 0.29 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 3k57 h LEU 753 CO -0.01 -0.04 -0.76 0.74 -0.34 0.00 0.00 178.44 178.04 3k57 h THR 754 N -0.46 1.39 0.00 1.05 2.02 -1.18 -0.13 112.91 115.60 3k57 h THR 754 Ca -0.03 -2.20 0.00 0.00 0.77 0.00 0.00 66.41 64.95 3k57 h THR 754 Cb 0.35 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 3k57 h THR 754 CO 0.05 0.66 -1.38 0.54 0.37 0.00 0.00 175.52 175.76 3k57 n ARG 755 N -3.82 0.53 -0.01 6.66 5.12 0.66 -4.24 116.66 121.56 3k57 n ARG 755 Ca -0.04 -0.08 -0.05 0.00 -1.93 0.00 0.00 57.85 55.75 3k57 n ARG 755 Cb 0.73 -1.46 -0.02 0.00 -1.16 0.00 0.00 32.46 30.55 3k57 n ARG 755 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3k57 n GLN 756 N -1.80 0.16 -0.04 5.56 1.13 -0.28 -4.67 117.38 117.44 3k57 n GLN 756 Ca 0.00 0.07 -0.14 0.00 -1.94 0.00 0.00 57.00 54.99 3k57 n GLN 756 Cb 0.41 -0.77 -0.08 0.00 0.11 0.00 0.00 30.24 29.90 3k57 n GLN 756 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3k57 h LEU 757 N -0.29 0.36 -0.43 1.08 3.38 -1.35 -3.29 115.31 114.77 3k57 h LEU 757 Ca -0.07 -0.58 0.06 0.00 0.09 0.00 0.00 57.88 57.38 3k57 h LEU 757 Cb 0.59 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 3k57 h LEU 757 CO -0.04 0.87 0.14 -0.61 0.09 0.00 0.00 178.44 178.89 3k57 h GLN 758 N -0.14 0.30 -0.41 1.13 4.15 -1.19 -2.01 115.11 116.95 3k57 h GLN 758 Ca -0.00 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 3k57 h GLN 758 Cb 0.82 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 3k57 h GLN 758 CO 0.05 0.20 0.06 -1.35 -1.93 0.00 0.00 178.83 175.86 3k57 h PRO 759 N 0.31 0.62 -0.38 -2.39 0.11 -1.74 -1.02 132.00 127.50 3k57 h PRO 759 Ca 0.20 -0.12 -0.05 0.00 0.11 0.00 0.00 66.00 66.14 3k57 h PRO 759 Cb 0.20 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 3k57 h PRO 759 CO -0.21 0.60 0.03 0.28 -0.21 0.00 0.00 178.00 178.48 3k57 h VAL 760 N 0.60 1.25 -0.44 3.15 2.07 -1.48 -2.48 116.25 118.91 3k57 h VAL 760 Ca 0.13 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 3k57 h VAL 760 Cb 0.28 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3k57 h VAL 760 CO 0.00 0.31 0.06 0.00 0.02 0.00 0.00 177.57 177.97 3k57 h ALA 761 N 0.90 0.59 0.00 1.67 0.00 -1.12 -2.52 119.26 118.78 3k57 h ALA 761 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3k57 h ALA 761 Cb 0.42 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3k57 h ALA 761 CO 0.01 0.32 0.00 0.93 0.00 0.00 0.00 179.25 180.51 3k57 h GLU 762 N 0.60 0.00 0.00 0.00 5.08 -1.10 -1.38 114.58 117.77 3k57 h GLU 762 Ca 0.13 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3k57 h GLU 762 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3k57 h GLU 762 CO 0.01 0.00 -0.33 0.78 -1.00 0.00 0.00 179.01 178.47 3k57 h GLY 763 N 0.38 0.00 0.00 -3.84 0.00 -0.98 -3.41 103.07 95.23 3k57 h GLY 763 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k57 h GLY 763 CO 0.00 0.00 -0.72 4.51 0.00 0.00 0.00 176.54 180.33 3k57 n ILE 764 N -3.54 0.00 -0.15 2.60 3.06 -0.74 -4.73 119.36 115.86 3k57 n ILE 764 Ca -0.00 0.00 0.07 0.00 -2.50 0.00 0.00 62.75 60.32 3k57 n ILE 764 Cb 0.47 -0.62 0.39 0.00 0.54 0.00 0.00 39.64 40.43 3k57 n ILE 764 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 3k57 h LEU 765 N 0.00 0.59 -1.69 9.51 3.38 -1.50 -2.03 115.31 123.57 3k57 h LEU 765 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3k57 h LEU 765 Cb 0.72 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3k57 h LEU 765 CO 0.00 0.38 0.29 -0.65 0.09 0.00 0.00 178.44 178.55 3k57 h PRO 766 N 0.66 0.39 0.00 1.13 0.11 -1.77 -0.20 132.00 132.31 3k57 h PRO 766 Ca 0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3k57 h PRO 766 Cb 0.30 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.32 3k57 h PRO 766 CO -0.09 0.26 0.00 0.74 -0.21 0.00 0.00 178.00 178.69 3k57 h PHE 767 N 0.40 0.00 -0.34 0.65 0.04 -1.67 -2.15 116.94 113.86 3k57 h PHE 767 Ca 0.19 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.82 3k57 h PHE 767 Cb 0.24 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.31 3k57 h PHE 767 CO -0.00 0.00 -0.02 0.44 -0.60 0.00 0.00 178.31 178.13 3k57 n ILE 768 N -3.04 2.48 -3.29 -0.55 -5.35 -0.52 -4.87 119.36 104.22 3k57 n ILE 768 Ca -0.00 -2.42 -0.23 0.00 -0.27 0.00 0.00 62.75 59.83 3k57 n ILE 768 Cb 0.24 -0.30 0.01 0.00 -1.74 0.00 0.00 39.64 37.85 3k57 n ILE 768 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3k57 n GLU 769 N -0.94 -3.92 -4.33 6.28 1.02 -0.81 -4.98 120.64 112.97 3k57 n GLU 769 Ca 0.30 0.60 -0.23 0.00 -0.02 0.00 0.00 57.16 57.81 3k57 n GLU 769 Cb 1.01 -5.36 -0.08 0.00 -0.02 0.00 0.00 31.44 26.99 3k57 n GLU 769 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3k57 s ASP 770 N -2.74 4.30 -0.05 1.62 -1.08 -0.20 -5.01 116.67 113.51 3k57 s ASP 770 Ca 0.38 -0.78 0.01 0.00 -0.52 0.00 0.00 52.55 51.64 3k57 s ASP 770 Cb -0.19 -0.68 0.02 0.00 -1.46 0.00 0.00 42.92 40.61 3k57 s ASP 770 CO 0.47 -0.04 -0.04 0.21 0.52 0.00 0.00 175.17 176.30 3k57 s ASN 771 N -3.65 1.02 0.26 -0.34 2.47 -1.26 -3.19 114.94 110.24 3k57 s ASN 771 Ca 0.32 -0.12 0.00 0.00 0.42 0.00 0.00 52.86 53.48 3k57 s ASN 771 Cb -0.05 -0.44 0.33 0.00 -1.45 0.00 0.00 41.25 39.64 3k57 s ASN 771 CO 0.19 -0.08 1.69 0.15 -3.72 0.00 0.00 177.10 175.33 3k57 h PHE 772 N 7.36 0.64 -0.57 0.43 3.57 -1.95 -2.23 116.94 124.19 3k57 h PHE 772 Ca -0.36 -0.14 -0.10 0.00 3.53 0.00 0.00 57.97 60.90 3k57 h PHE 772 Cb 1.15 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 3k57 h PHE 772 CO 0.50 0.77 -0.05 0.00 -2.23 0.00 0.00 178.31 177.30 3k57 h ALA 773 N 1.23 0.84 -0.67 2.41 0.00 -1.98 0.34 119.26 121.43 3k57 h ALA 773 Ca 0.07 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3k57 h ALA 773 Cb 0.70 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3k57 h ALA 773 CO 0.05 0.66 0.16 1.79 0.00 0.00 0.00 179.25 181.92 3k57 h THR 774 N 0.92 1.26 -0.58 0.00 1.35 -1.95 -1.41 112.91 112.51 3k57 h THR 774 Ca 0.16 -0.94 -0.08 0.00 -0.55 0.00 0.00 66.41 65.00 3k57 h THR 774 Cb 0.60 0.56 -0.02 0.00 -1.73 0.00 0.00 68.15 67.56 3k57 h THR 774 CO 0.04 0.36 0.06 0.25 -0.25 0.00 0.00 175.52 175.98 3k57 h LEU 775 N 1.01 0.94 -0.30 3.87 5.85 -0.79 -0.40 115.31 125.50 3k57 h LEU 775 Ca 0.21 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3k57 h LEU 775 Cb 0.36 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3k57 h LEU 775 CO 0.00 0.98 0.16 0.24 -0.34 0.00 0.00 178.44 179.48 3k57 h MET 776 N 0.87 0.43 -0.43 1.25 2.86 0.03 -2.42 114.93 117.52 3k57 h MET 776 Ca 0.17 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 3k57 h MET 776 Cb 0.46 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3k57 h MET 776 CO 0.02 0.39 0.12 1.15 1.06 0.00 0.00 176.91 179.65 3k57 h THR 777 N 0.37 1.18 -1.00 2.22 2.02 -1.09 0.21 112.91 116.81 3k57 h THR 777 Ca 0.11 -0.63 0.10 0.00 0.77 0.00 0.00 66.41 66.76 3k57 h THR 777 Cb 0.09 0.73 -0.08 0.00 -1.74 0.00 0.00 68.15 67.14 3k57 h THR 777 CO -0.02 0.24 0.64 1.23 0.37 0.00 0.00 175.52 177.98 3k57 h GLY 778 N 0.82 1.60 -0.77 2.16 0.00 -0.56 -3.03 103.07 103.29 3k57 h GLY 778 Ca 0.15 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3k57 h GLY 778 CO -0.01 0.21 -0.03 0.61 0.00 0.00 0.00 176.54 177.33 3k57 n GLN 779 N -4.58 0.66 0.00 4.80 10.64 -1.02 -5.10 117.38 122.78 3k57 n GLN 779 Ca 0.18 -1.04 0.06 0.00 -1.83 0.00 0.00 57.00 54.37 3k57 n GLN 779 Cb 0.31 -1.18 0.05 0.00 -0.86 0.00 0.00 30.24 28.56 3k57 n GLN 779 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51