#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qxl n PRO 4 N 0.00 2.04 -4.30 -2.82 -0.02 -1.26 -4.73 135.00 123.91 2qxl n PRO 4 Ca 0.00 0.74 -0.30 0.00 -2.02 0.00 0.00 63.50 61.92 2qxl n PRO 4 Cb 0.00 -2.48 -0.17 0.00 -0.02 0.00 0.00 33.50 30.83 2qxl n PRO 4 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2qxl s PHE 5 N 0.79 2.22 -0.17 6.00 5.36 -1.25 -2.70 117.98 128.23 2qxl s PHE 5 Ca 0.78 -1.16 -0.04 0.00 -0.96 0.00 0.00 56.93 55.56 2qxl s PHE 5 Cb -0.70 -1.59 -0.02 0.00 -0.34 0.00 0.00 43.02 40.37 2qxl s PHE 5 CO 0.40 -0.60 -0.04 0.20 -1.46 0.00 0.00 175.22 173.72 2qxl s GLY 6 N 1.17 1.70 -0.21 13.12 0.00 0.44 -1.29 107.32 122.24 2qxl s GLY 6 Ca -0.01 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 43.83 2qxl s GLY 6 CO -0.06 0.01 -0.15 -2.27 0.00 0.00 0.00 173.10 170.63 2qxl s LEU 7 N 0.56 2.66 -0.58 0.66 2.96 0.36 -1.57 118.68 123.72 2qxl s LEU 7 Ca -0.03 -0.87 -0.20 0.00 -0.22 0.00 0.00 54.13 52.81 2qxl s LEU 7 Cb -0.14 -1.53 0.08 0.00 0.50 0.00 0.00 46.19 45.10 2qxl s LEU 7 CO 0.03 -0.07 0.75 -0.62 -1.32 0.00 0.00 176.35 175.12 2qxl s ASP 8 N 1.25 6.20 -0.73 3.68 2.15 -0.43 -1.12 116.67 127.67 2qxl s ASP 8 Ca 0.01 -1.19 -0.21 0.00 0.43 0.00 0.00 52.55 51.59 2qxl s ASP 8 Cb -0.15 -2.33 0.09 0.00 -0.30 0.00 0.00 42.92 40.23 2qxl s ASP 8 CO -0.09 -1.14 0.99 -0.22 -0.17 0.00 0.00 175.17 174.54 2qxl s LEU 9 N 3.00 4.66 0.32 -1.34 2.96 -1.25 -1.61 118.68 125.42 2qxl s LEU 9 Ca 0.15 -1.33 -0.04 0.00 -0.22 0.00 0.00 54.13 52.69 2qxl s LEU 9 Cb -0.21 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 2qxl s LEU 9 CO 0.09 -1.31 0.58 -0.83 -1.32 0.00 0.00 176.35 173.56 2qxl s GLY 10 N 3.68 1.75 0.31 7.98 0.00 -0.85 -4.95 107.32 115.24 2qxl s GLY 10 Ca 0.24 -0.59 0.02 0.00 0.00 0.00 0.00 44.72 44.39 2qxl s GLY 10 CO 0.04 -0.49 1.82 -0.57 0.00 0.00 0.00 173.10 173.91 2qxl h ASN 11 N 1.39 0.58 0.00 1.64 -0.73 -1.95 -3.33 115.58 113.17 2qxl h ASN 11 Ca -0.48 -0.12 -0.29 0.00 1.87 0.00 0.00 56.30 57.28 2qxl h ASN 11 Cb 1.20 -0.15 -0.04 0.00 0.27 0.00 0.00 38.32 39.59 2qxl h ASN 11 CO 0.65 0.66 -1.73 -3.20 -0.37 0.00 0.00 177.43 173.44 2qxl n ASN 12 N -4.24 1.91 -3.94 1.15 2.85 -1.26 -4.22 115.26 107.49 2qxl n ASN 12 Ca 0.02 0.40 -0.09 0.00 -0.11 0.00 0.00 54.58 54.79 2qxl n ASN 12 Cb 0.28 -0.87 -0.10 0.00 1.24 0.00 0.00 39.78 40.33 2qxl n ASN 12 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2qxl s ASN 13 N -6.92 0.20 0.01 1.20 2.20 -1.25 -1.45 114.94 108.93 2qxl s ASN 13 Ca -0.32 -0.53 0.06 0.00 -0.94 0.00 0.00 52.86 51.13 2qxl s ASN 13 Cb 0.09 0.20 -0.03 0.00 -2.00 0.00 0.00 41.25 39.51 2qxl s ASN 13 CO 0.49 -0.46 -0.18 -0.44 -2.94 0.00 0.00 177.10 173.57 2qxl s SER 14 N -1.99 3.78 -0.08 3.54 0.01 0.17 -2.01 113.70 117.12 2qxl s SER 14 Ca -0.07 -0.37 0.04 0.00 1.31 0.00 0.00 55.95 56.86 2qxl s SER 14 Cb -0.03 -0.64 -0.01 0.00 0.21 0.00 0.00 66.02 65.55 2qxl s SER 14 CO -0.04 0.29 -0.20 -0.69 0.41 0.00 0.00 173.24 173.01 2qxl s VAL 15 N -0.84 2.48 -0.10 3.43 1.01 -0.63 -0.39 120.40 125.35 2qxl s VAL 15 Ca 0.13 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2qxl s VAL 15 Cb -0.10 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 2qxl s VAL 15 CO 0.03 0.56 -0.16 -0.76 0.00 0.00 0.00 175.10 174.78 2qxl s LEU 16 N -0.12 2.57 0.02 3.92 1.43 -1.26 -1.31 118.68 123.92 2qxl s LEU 16 Ca -0.03 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 2qxl s LEU 16 Cb -0.14 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 2qxl s LEU 16 CO 0.04 0.21 -0.09 0.00 0.23 0.00 0.00 176.35 176.75 2qxl s ALA 17 N 0.06 0.69 0.04 4.21 0.00 -0.61 -0.63 121.76 125.53 2qxl s ALA 17 Ca -0.07 -0.52 0.06 0.00 0.00 0.00 0.00 51.96 51.43 2qxl s ALA 17 Cb -0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2qxl s ALA 17 CO 0.05 0.12 -0.16 0.14 0.00 0.00 0.00 175.76 175.90 2qxl s VAL 18 N -0.60 1.29 -0.25 0.00 -7.23 -0.35 -0.42 120.40 112.83 2qxl s VAL 18 Ca -0.01 -1.07 -0.19 0.00 -1.81 0.00 0.00 61.98 58.90 2qxl s VAL 18 Cb -0.06 -1.15 -0.02 0.00 0.56 0.00 0.00 36.38 35.71 2qxl s VAL 18 CO 0.00 0.06 0.58 0.00 -0.31 0.00 0.00 175.10 175.43 2qxl s ALA 19 N -0.84 3.60 0.28 1.32 0.00 -1.10 -0.84 121.76 124.18 2qxl s ALA 19 Ca 0.03 -0.48 -0.20 0.00 0.00 0.00 0.00 51.96 51.31 2qxl s ALA 19 Cb -0.08 -2.96 0.06 0.00 0.00 0.00 0.00 23.12 20.13 2qxl s ALA 19 CO 0.01 -0.75 0.89 -0.98 0.00 0.00 0.00 175.76 174.94 2qxl s ARG 20 N 2.35 1.74 4.18 0.00 1.70 -0.40 -4.40 118.95 124.12 2qxl s ARG 20 Ca 0.24 -1.09 0.00 0.00 -0.47 0.00 0.00 55.73 54.41 2qxl s ARG 20 Cb -0.16 0.51 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 2qxl s ARG 20 CO 0.09 -0.81 0.00 0.09 -1.08 0.00 0.00 175.30 173.58 2qxl n ASN 21 N -1.14 0.00 -1.89 -2.89 3.02 -1.26 -0.72 115.26 110.38 2qxl n ASN 21 Ca -0.06 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.28 2qxl n ASN 21 Cb 0.60 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.81 2qxl n ASN 21 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qxl n ARG 22 N 14.00 3.35 -0.42 3.52 5.12 -1.26 -5.05 116.66 135.92 2qxl n ARG 22 Ca 0.00 -4.03 0.00 0.00 -1.93 0.00 0.00 57.85 51.89 2qxl n ARG 22 Cb 0.00 -2.21 0.00 0.00 -1.16 0.00 0.00 32.46 29.09 2qxl n ARG 22 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qxl n GLY 23 N -0.77 2.20 3.07 -0.13 0.00 0.10 -5.15 105.19 104.52 2qxl n GLY 23 Ca 0.42 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 2qxl n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qxl s ILE 24 N -2.78 1.42 0.12 -0.61 1.01 -1.26 -1.28 121.20 117.82 2qxl s ILE 24 Ca 0.00 -0.62 0.11 0.00 0.00 0.00 0.00 60.65 60.13 2qxl s ILE 24 Cb 0.00 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 2qxl s ILE 24 CO 0.00 0.42 -0.27 -1.81 0.00 0.00 0.00 174.94 173.28 2qxl s ASP 25 N 0.73 3.26 0.14 3.58 1.01 -0.02 -4.95 116.67 120.42 2qxl s ASP 25 Ca -0.12 -0.73 -0.30 0.00 0.71 0.00 0.00 52.55 52.10 2qxl s ASP 25 Cb -0.16 -0.22 -0.06 0.00 1.01 0.00 0.00 42.92 43.49 2qxl s ASP 25 CO 0.03 0.18 0.95 -0.63 0.21 0.00 0.00 175.17 175.91 2qxl s ILE 26 N -1.04 4.42 -0.23 0.77 -1.09 -1.26 -1.22 121.20 121.55 2qxl s ILE 26 Ca 0.13 2.07 -0.18 0.00 -2.23 0.00 0.00 60.65 60.44 2qxl s ILE 26 Cb -0.10 -4.32 -0.03 0.00 -1.58 0.00 0.00 42.46 36.43 2qxl s ILE 26 CO 0.06 0.36 0.48 -0.69 -1.23 0.00 0.00 174.94 173.92 2qxl s VAL 27 N -0.25 5.12 0.51 2.92 1.01 0.20 -4.95 120.40 124.96 2qxl s VAL 27 Ca 0.45 0.86 -0.11 0.00 0.00 0.00 0.00 61.98 63.18 2qxl s VAL 27 Cb -0.24 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 2qxl s VAL 27 CO 0.30 0.16 0.91 0.68 0.00 0.00 0.00 175.10 177.15 2qxl s VAL 28 N 1.83 4.71 0.00 2.92 -7.23 -1.26 -4.53 120.40 116.84 2qxl s VAL 28 Ca 0.21 0.79 0.00 0.00 -1.81 0.00 0.00 61.98 61.17 2qxl s VAL 28 Cb -0.15 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.00 2qxl s VAL 28 CO 0.09 -0.80 0.00 -0.46 -0.31 0.00 0.00 175.10 173.62 2qxl n ASN 29 N -1.96 0.00 0.05 4.85 0.23 -0.68 -4.88 115.26 112.89 2qxl n ASN 29 Ca 0.04 -0.32 0.11 0.00 -0.53 0.00 0.00 54.58 53.88 2qxl n ASN 29 Cb 0.54 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.68 2qxl n ASN 29 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2qxl n GLU 30 N -0.32 0.10 -0.31 -3.83 0.00 -1.26 -1.53 120.64 113.48 2qxl n GLU 30 Ca 0.00 0.24 0.08 0.00 0.00 0.00 0.00 57.16 57.48 2qxl n GLU 30 Cb 0.00 -1.66 0.21 0.00 0.00 0.00 0.00 31.44 29.99 2qxl n GLU 30 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2qxl n VAL 31 N -1.83 1.86 -1.48 3.84 0.24 -1.26 -4.98 118.33 114.71 2qxl n VAL 31 Ca 0.04 -1.66 -0.10 0.00 -2.04 0.00 0.00 64.34 60.58 2qxl n VAL 31 Cb 0.26 -0.03 -0.04 0.00 -1.47 0.00 0.00 33.84 32.57 2qxl n VAL 31 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2qxl n SER 32 N -0.36 -4.07 -4.81 -1.34 7.64 -0.58 -5.02 113.62 105.07 2qxl n SER 32 Ca 0.17 0.20 -0.36 0.00 1.01 0.00 0.00 58.87 59.89 2qxl n SER 32 Cb 0.72 -2.64 -0.06 0.00 -1.01 0.00 0.00 64.21 61.21 2qxl n SER 32 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2qxl s ASN 33 N -2.82 7.10 0.00 6.43 0.01 -1.26 -4.76 114.94 119.64 2qxl s ASN 33 Ca 0.00 1.54 0.28 0.00 -0.71 0.00 0.00 52.86 53.97 2qxl s ASN 33 Cb 0.00 -2.47 1.07 0.00 0.41 0.00 0.00 41.25 40.27 2qxl s ASN 33 CO 0.00 -0.04 1.77 0.54 -1.51 0.00 0.00 177.10 177.86 2qxl n ARG 34 N 0.49 0.63 -4.25 -0.60 1.74 -1.26 -1.68 116.66 111.73 2qxl n ARG 34 Ca -0.00 -0.26 -0.14 0.00 -0.77 0.00 0.00 57.85 56.68 2qxl n ARG 34 Cb 0.51 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.36 2qxl n ARG 34 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2qxl s SER 35 N -2.55 1.30 -0.08 0.55 1.04 -1.26 -4.59 113.70 108.12 2qxl s SER 35 Ca 0.26 -1.17 0.03 0.00 0.48 0.00 0.00 55.95 55.55 2qxl s SER 35 Cb 0.20 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2qxl s SER 35 CO 0.50 -0.55 -0.19 -0.89 0.98 0.00 0.00 173.24 173.10 2qxl s THR 36 N -3.62 1.62 0.19 2.02 2.01 0.47 -4.83 115.64 113.50 2qxl s THR 36 Ca 0.24 -0.77 -0.33 0.00 0.31 0.00 0.00 61.69 61.14 2qxl s THR 36 Cb 0.06 -1.42 -0.13 0.00 0.01 0.00 0.00 72.50 71.02 2qxl s THR 36 CO 0.04 0.46 1.65 -2.65 -0.69 0.00 0.00 174.62 173.43 2qxl n PRO 37 N 3.56 2.47 -1.86 4.92 -0.02 -1.26 0.45 135.00 143.25 2qxl n PRO 37 Ca -0.20 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 2qxl n PRO 37 Cb 0.52 -2.70 -0.00 0.00 -0.02 0.00 0.00 33.50 31.31 2qxl n PRO 37 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2qxl n SER 38 N 3.65 4.62 -3.98 2.55 7.64 -0.53 -4.13 113.62 123.45 2qxl n SER 38 Ca 0.16 -2.90 -0.15 0.00 1.01 0.00 0.00 58.87 56.99 2qxl n SER 38 Cb 0.32 -1.60 -0.14 0.00 -1.01 0.00 0.00 64.21 61.78 2qxl n SER 38 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2qxl s VAL 39 N 2.30 0.44 -0.20 0.44 1.01 -1.26 -4.40 120.40 118.74 2qxl s VAL 39 Ca 0.47 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 2qxl s VAL 39 Cb 0.13 -0.40 0.05 0.00 0.00 0.00 0.00 36.38 36.17 2qxl s VAL 39 CO -0.06 0.04 -0.02 -0.69 0.00 0.00 0.00 175.10 174.37 2qxl s VAL 40 N -0.32 1.01 0.34 2.92 1.01 -0.50 -1.20 120.40 123.66 2qxl s VAL 40 Ca 0.00 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.30 2qxl s VAL 40 Cb -0.03 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 2qxl s VAL 40 CO -0.00 -0.06 0.10 -0.83 0.00 0.00 0.00 175.10 174.30 2qxl s GLY 41 N 1.65 1.96 -0.00 4.51 0.00 0.81 -0.36 107.32 115.88 2qxl s GLY 41 Ca -0.02 -1.85 0.02 0.00 0.00 0.00 0.00 44.72 42.87 2qxl s GLY 41 CO -0.07 -1.79 -0.08 -1.36 0.00 0.00 0.00 173.10 169.80 2qxl s PHE 42 N -2.44 0.72 0.32 1.90 0.08 -0.63 -0.20 117.98 117.73 2qxl s PHE 42 Ca 0.37 -0.15 0.04 0.00 0.12 0.00 0.00 56.93 57.31 2qxl s PHE 42 Cb -0.02 -0.46 -0.01 0.00 -0.57 0.00 0.00 43.02 41.95 2qxl s PHE 42 CO 0.22 -0.01 0.14 0.41 -0.10 0.00 0.00 175.22 175.87 2qxl n GLY 43 N 2.84 3.36 0.30 4.36 0.00 -0.06 -4.87 105.19 111.11 2qxl n GLY 43 Ca -0.13 -2.04 0.19 0.00 0.00 0.00 0.00 46.02 44.04 2qxl n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qxl h PRO 44 N 0.00 0.00 0.00 1.61 0.13 -1.94 -0.65 132.00 131.15 2qxl h PRO 44 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2qxl h PRO 44 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2qxl h PRO 44 CO 0.38 0.02 -0.73 1.63 -0.23 0.00 0.00 178.00 179.07 2qxl n LYS 45 N -3.14 2.49 -3.95 0.86 5.02 -1.26 -3.94 118.16 114.24 2qxl n LYS 45 Ca -0.01 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.19 2qxl n LYS 45 Cb 0.22 -0.87 -0.03 0.00 -0.02 0.00 0.00 35.03 34.33 2qxl n LYS 45 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qxl s ASN 46 N -2.13 0.05 0.27 4.39 4.22 -1.25 -4.81 114.94 115.68 2qxl s ASN 46 Ca 0.00 -0.99 -0.11 0.00 -2.14 0.00 0.00 52.86 49.62 2qxl s ASN 46 Cb 0.00 0.68 -0.08 0.00 1.28 0.00 0.00 41.25 43.13 2qxl s ASN 46 CO 0.00 -1.31 0.62 -0.13 -2.04 0.00 0.00 177.10 174.24 2qxl s ARG 47 N -3.54 3.85 -0.42 3.55 0.52 -1.26 -0.88 118.95 120.76 2qxl s ARG 47 Ca 0.20 0.38 -0.04 0.00 -0.52 0.00 0.00 55.73 55.76 2qxl s ARG 47 Cb -0.03 -2.57 0.11 0.00 0.52 0.00 0.00 34.95 32.99 2qxl s ARG 47 CO 0.11 0.24 0.23 0.71 0.02 0.00 0.00 175.30 176.61 2qxl s TYR 48 N -1.91 3.56 -0.15 -0.53 2.02 0.72 -4.92 117.35 116.14 2qxl s TYR 48 Ca 0.49 -2.33 -0.03 0.00 -0.37 0.00 0.00 57.07 54.83 2qxl s TYR 48 Cb -0.11 -3.27 -0.03 0.00 -0.40 0.00 0.00 41.96 38.15 2qxl s TYR 48 CO 0.21 -0.98 -0.04 -0.51 -1.57 0.00 0.00 175.55 172.66 2qxl s LEU 49 N 1.17 3.24 0.00 -1.29 1.43 -1.26 -0.14 118.68 121.84 2qxl s LEU 49 Ca 0.08 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2qxl s LEU 49 Cb -0.23 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.21 2qxl s LEU 49 CO -0.04 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.34 2qxl n GLY 50 N 3.43 0.93 0.24 -3.19 0.00 -0.34 -4.12 105.19 102.13 2qxl n GLY 50 Ca -0.17 -0.59 0.01 0.00 0.00 0.00 0.00 46.02 45.27 2qxl n GLY 50 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qxl h GLU 51 N 0.00 0.40 -0.07 1.61 4.57 -1.89 -1.21 114.58 118.00 2qxl h GLU 51 Ca 0.00 -0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.03 2qxl h GLU 51 Cb 0.00 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2qxl h GLU 51 CO 0.00 0.27 -0.52 1.79 -1.18 0.00 0.00 179.01 179.36 2qxl h THR 52 N 0.41 1.36 -0.73 0.32 1.35 -1.89 -1.28 112.91 112.44 2qxl h THR 52 Ca 0.33 -1.80 0.01 0.00 -0.55 0.00 0.00 66.41 64.40 2qxl h THR 52 Cb 0.42 1.90 -0.04 0.00 -1.73 0.00 0.00 68.15 68.70 2qxl h THR 52 CO -0.33 0.53 0.48 1.23 -0.25 0.00 0.00 175.52 177.19 2qxl h GLY 53 N 1.43 1.03 0.98 5.82 0.00 -1.26 -2.83 103.07 108.24 2qxl h GLY 53 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 2qxl h GLY 53 CO 0.08 0.37 -0.18 1.70 0.00 0.00 0.00 176.54 178.51 2qxl h LYS 54 N 0.98 0.75 -0.47 4.80 1.63 -0.88 -3.12 116.57 120.27 2qxl h LYS 54 Ca 0.27 -0.33 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2qxl h LYS 54 Cb -0.10 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 2qxl h LYS 54 CO -0.06 0.94 0.27 -0.91 -3.45 0.00 0.00 179.45 176.24 2qxl h ASN 55 N 0.54 0.55 -0.53 4.20 2.35 -1.18 -2.63 115.58 118.88 2qxl h ASN 55 Ca 0.08 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2qxl h ASN 55 Cb 0.72 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.95 2qxl h ASN 55 CO 0.05 0.43 0.00 0.29 -1.65 0.00 0.00 177.43 176.55 2qxl n LYS 56 N -4.44 2.81 -0.21 0.81 5.02 -1.07 -4.57 118.16 116.51 2qxl n LYS 56 Ca 0.04 -2.14 -0.01 0.00 -2.02 0.00 0.00 58.31 54.17 2qxl n LYS 56 Cb 0.08 -1.63 0.20 0.00 -0.02 0.00 0.00 35.03 33.66 2qxl n LYS 56 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2qxl h GLN 57 N 3.23 0.98 0.06 1.97 4.15 -1.40 0.49 115.11 124.58 2qxl h GLN 57 Ca 0.00 -0.11 -0.10 0.00 0.77 0.00 0.00 58.65 59.21 2qxl h GLN 57 Cb 1.02 -0.19 0.01 0.00 0.21 0.00 0.00 27.48 28.52 2qxl h GLN 57 CO 0.11 0.73 -0.46 1.15 -1.93 0.00 0.00 178.83 178.43 2qxl h THR 58 N 0.99 1.59 -0.71 2.39 2.02 -1.83 -2.84 112.91 114.53 2qxl h THR 58 Ca 0.25 -2.41 0.13 0.00 0.77 0.00 0.00 66.41 65.15 2qxl h THR 58 Cb 0.04 3.21 -0.09 0.00 -1.74 0.00 0.00 68.15 69.57 2qxl h THR 58 CO -0.04 0.64 0.24 0.28 0.37 0.00 0.00 175.52 177.01 2qxl h SER 59 N -0.73 0.18 -0.46 4.18 0.02 -1.82 -2.93 113.55 111.99 2qxl h SER 59 Ca -0.09 0.11 -0.25 0.00 -0.84 0.00 0.00 61.79 60.72 2qxl h SER 59 Cb 1.30 0.11 -0.15 0.00 0.14 0.00 0.00 62.40 63.80 2qxl h SER 59 CO 0.05 0.07 -0.02 -3.20 -1.14 0.00 0.00 176.83 172.58 2qxl n ASN 60 N -5.05 2.88 -0.33 3.07 5.15 0.17 -4.88 115.26 116.27 2qxl n ASN 60 Ca 0.13 -3.78 0.14 0.00 -0.60 0.00 0.00 54.58 50.46 2qxl n ASN 60 Cb 0.39 -0.66 0.32 0.00 -0.53 0.00 0.00 39.78 39.31 2qxl n ASN 60 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 2qxl h ILE 61 N 1.06 0.58 0.00 -1.44 2.10 -1.30 0.23 117.51 118.74 2qxl h ILE 61 Ca 0.29 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 66.03 2qxl h ILE 61 Cb 1.74 -0.04 0.00 0.00 -1.09 0.00 0.00 36.82 37.44 2qxl h ILE 61 CO 0.52 0.10 0.00 0.11 -1.08 0.00 0.00 178.15 177.81 2qxl h LYS 62 N 0.57 0.00 -0.05 2.19 1.79 -1.88 -3.25 116.57 115.94 2qxl h LYS 62 Ca 0.58 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 59.04 2qxl h LYS 62 Cb 1.02 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.67 2qxl h LYS 62 CO -0.46 0.00 -0.03 0.09 -1.08 0.00 0.00 179.45 177.98 2qxl n ASN 63 N -2.42 2.60 -4.30 0.86 3.02 0.05 -4.41 115.26 110.65 2qxl n ASN 63 Ca 0.03 -3.13 -0.34 0.00 -0.03 0.00 0.00 54.58 51.10 2qxl n ASN 63 Cb 0.31 -0.46 -0.14 0.00 -0.61 0.00 0.00 39.78 38.87 2qxl n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qxl s THR 64 N -2.90 3.19 -0.22 3.41 2.01 -1.08 -1.60 115.64 118.44 2qxl s THR 64 Ca 0.34 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.72 2qxl s THR 64 Cb 0.30 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 2qxl s THR 64 CO 0.03 0.45 0.02 -0.69 -0.69 0.00 0.00 174.62 173.75 2qxl s VAL 65 N 1.27 3.97 0.00 3.82 1.01 0.51 -3.94 120.40 127.04 2qxl s VAL 65 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2qxl s VAL 65 Cb -0.14 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2qxl s VAL 65 CO -0.03 0.39 0.00 0.00 0.00 0.00 0.00 175.10 175.46 2qxl n ALA 66 N 4.63 0.00 -4.25 5.51 0.00 -1.26 -1.40 120.51 123.73 2qxl n ALA 66 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.90 2qxl n ALA 66 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 2qxl n ALA 66 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qxl n ASN 67 N -0.13 -3.08 -0.26 0.00 3.02 -1.26 -4.84 115.26 108.71 2qxl n ASN 67 Ca 0.00 -1.03 -0.01 0.00 -0.03 0.00 0.00 54.58 53.51 2qxl n ASN 67 Cb 0.00 -2.65 0.19 0.00 -0.61 0.00 0.00 39.78 36.71 2qxl n ASN 67 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2qxl h LEU 68 N -1.45 0.95 -0.20 3.41 3.38 -1.84 -1.92 115.31 117.63 2qxl h LEU 68 Ca -0.59 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2qxl h LEU 68 Cb 1.38 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2qxl h LEU 68 CO 0.79 0.71 0.00 0.07 0.09 0.00 0.00 178.44 180.10 2qxl h LYS 69 N 1.11 0.00 0.00 1.13 2.10 -1.90 -3.21 116.57 115.81 2qxl h LYS 69 Ca 0.29 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.83 2qxl h LYS 69 Cb -0.08 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.23 2qxl h LYS 69 CO -0.06 0.00 -0.88 0.00 -2.00 0.00 0.00 179.45 176.51 2qxl h ARG 70 N 0.00 0.00 -0.00 0.07 2.47 -1.72 -3.33 114.38 111.87 2qxl h ARG 70 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2qxl h ARG 70 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 2qxl h ARG 70 CO 0.00 0.35 -0.68 0.44 0.56 0.00 0.00 179.97 180.64 2qxl n ILE 71 N -3.04 0.00 -1.68 2.04 -5.35 -1.19 -4.72 119.36 105.42 2qxl n ILE 71 Ca -0.03 -0.08 -0.45 0.00 -0.27 0.00 0.00 62.75 61.92 2qxl n ILE 71 Cb 0.75 0.85 -0.04 0.00 -1.74 0.00 0.00 39.64 39.46 2qxl n ILE 71 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2qxl n ILE 72 N -1.02 0.37 -1.07 7.28 2.08 -1.22 -1.96 119.36 123.82 2qxl n ILE 72 Ca 0.07 -0.07 -0.03 0.00 0.56 0.00 0.00 62.75 63.28 2qxl n ILE 72 Cb 0.37 -1.92 -0.01 0.00 -0.75 0.00 0.00 39.64 37.33 2qxl n ILE 72 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2qxl n GLY 73 N 4.11 0.48 3.56 7.39 0.00 -1.26 -4.88 105.19 114.58 2qxl n GLY 73 Ca 0.19 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2qxl n GLY 73 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qxl s LEU 74 N -0.58 3.95 0.15 0.99 2.96 -0.83 -4.94 118.68 120.38 2qxl s LEU 74 Ca 0.00 0.01 -0.32 0.00 -0.22 0.00 0.00 54.13 53.60 2qxl s LEU 74 Cb 0.00 -3.12 -0.12 0.00 0.50 0.00 0.00 46.19 43.45 2qxl s LEU 74 CO 0.00 -1.16 1.75 0.47 -1.32 0.00 0.00 176.35 176.09 2qxl n ASP 75 N 7.44 3.85 0.10 3.68 9.92 -1.26 -1.35 116.55 138.93 2qxl n ASP 75 Ca 0.06 1.03 0.19 0.00 -0.53 0.00 0.00 54.79 55.54 2qxl n ASP 75 Cb 0.48 -1.53 0.75 0.00 -0.64 0.00 0.00 41.12 40.19 2qxl n ASP 75 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 2qxl h TYR 76 N 7.46 0.00 -0.47 1.24 3.20 -1.10 -0.89 116.97 126.41 2qxl h TYR 76 Ca -0.45 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.42 2qxl h TYR 76 Cb 1.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.49 2qxl h TYR 76 CO 0.71 0.00 0.00 0.72 -1.64 0.00 0.00 178.16 177.95 2qxl n HIS 77 N -3.91 1.41 -1.63 -3.82 8.25 -1.26 -4.94 115.22 109.32 2qxl n HIS 77 Ca 0.06 -0.72 -0.45 0.00 -0.26 0.00 0.00 57.72 56.35 2qxl n HIS 77 Cb 0.54 -0.33 -0.02 0.00 1.12 0.00 0.00 29.99 31.30 2qxl n HIS 77 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2qxl n HIS 78 N 0.38 1.70 0.26 4.41 -0.00 -0.34 -4.90 115.22 116.74 2qxl n HIS 78 Ca 0.24 0.61 0.12 0.00 -0.00 0.00 0.00 57.72 58.69 2qxl n HIS 78 Cb 0.95 -2.34 0.71 0.00 -0.00 0.00 0.00 29.99 29.31 2qxl n HIS 78 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2qxl h PRO 79 N 2.72 0.00 -0.30 1.57 0.13 -1.95 -1.38 132.00 132.79 2qxl h PRO 79 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2qxl h PRO 79 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2qxl h PRO 79 CO 0.65 0.12 0.00 -0.25 -0.23 0.00 0.00 178.00 178.29 2qxl n ASP 80 N -3.64 1.65 -0.18 1.44 8.00 -1.26 -4.53 116.55 118.03 2qxl n ASP 80 Ca -0.02 -1.98 -0.01 0.00 0.71 0.00 0.00 54.79 53.49 2qxl n ASP 80 Cb 0.25 -0.20 0.09 0.00 -0.02 0.00 0.00 41.12 41.23 2qxl n ASP 80 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2qxl h PHE 81 N 1.83 0.17 -0.17 1.24 3.57 -1.59 -2.15 116.94 119.83 2qxl h PHE 81 Ca 0.00 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 2qxl h PHE 81 Cb 0.42 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2qxl h PHE 81 CO 0.20 -0.03 -0.29 0.93 -2.23 0.00 0.00 178.31 176.89 2qxl h GLU 82 N 0.24 0.33 -0.65 1.11 5.08 -1.83 0.95 114.58 119.81 2qxl h GLU 82 Ca 0.28 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2qxl h GLU 82 Cb 0.40 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 2qxl h GLU 82 CO -0.37 0.60 0.43 1.96 -1.00 0.00 0.00 179.01 180.63 2qxl h GLN 83 N 0.29 0.75 0.04 2.33 4.20 -1.72 -2.34 115.11 118.66 2qxl h GLN 83 Ca 0.04 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 2qxl h GLN 83 Cb 0.67 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 28.29 2qxl h GLN 83 CO 0.05 0.50 -0.43 0.93 -0.67 0.00 0.00 178.83 179.21 2qxl h GLU 84 N 0.77 0.22 0.00 1.46 4.39 -0.95 -3.38 114.58 117.09 2qxl h GLU 84 Ca 0.26 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2qxl h GLU 84 Cb 0.08 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2qxl h GLU 84 CO -0.07 1.06 -0.03 0.66 -1.16 0.00 0.00 179.01 179.47 2qxl h SER 85 N -0.49 0.00 0.45 1.42 4.64 -0.66 -2.42 113.55 116.49 2qxl h SER 85 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2qxl h SER 85 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2qxl h SER 85 CO 0.08 0.03 0.00 2.29 -0.87 0.00 0.00 176.83 178.36 2qxl n LYS 86 N -3.13 0.03 -0.16 4.77 2.85 -0.90 -1.74 118.16 119.88 2qxl n LYS 86 Ca 0.01 0.32 0.12 0.00 -1.05 0.00 0.00 58.31 57.71 2qxl n LYS 86 Cb 0.36 -1.56 0.21 0.00 -0.65 0.00 0.00 35.03 33.39 2qxl n LYS 86 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2qxl n HIS 87 N -1.61 0.43 -3.94 5.58 8.25 -0.91 -4.94 115.22 118.07 2qxl n HIS 87 Ca 0.03 -0.21 -0.35 0.00 -0.26 0.00 0.00 57.72 56.92 2qxl n HIS 87 Cb 0.15 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.20 2qxl n HIS 87 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2qxl s PHE 88 N -1.57 3.52 -0.11 4.41 0.40 -0.71 -4.89 117.98 119.03 2qxl s PHE 88 Ca 0.37 0.42 0.10 0.00 -0.60 0.00 0.00 56.93 57.22 2qxl s PHE 88 Cb 0.22 -1.87 -0.14 0.00 0.51 0.00 0.00 43.02 41.74 2qxl s PHE 88 CO 0.32 0.67 0.26 -2.37 0.70 0.00 0.00 175.22 174.80 2qxl n THR 89 N 1.54 0.00 -3.62 0.64 5.66 -1.26 -4.98 114.28 112.26 2qxl n THR 89 Ca -0.16 -0.24 -0.20 0.00 -3.05 0.00 0.00 64.05 60.40 2qxl n THR 89 Cb 0.54 0.43 -0.02 0.00 -1.55 0.00 0.00 70.33 69.73 2qxl n THR 89 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2qxl s SER 90 N -2.88 5.50 0.01 1.09 1.04 -1.25 -4.38 113.70 112.83 2qxl s SER 90 Ca -0.02 -0.42 -0.30 0.00 0.48 0.00 0.00 55.95 55.68 2qxl s SER 90 Cb 0.07 -0.98 -0.05 0.00 0.10 0.00 0.00 66.02 65.15 2qxl s SER 90 CO 0.41 -0.44 1.27 -0.75 0.98 0.00 0.00 173.24 174.71 2qxl s LYS 91 N -4.09 4.36 -0.14 4.02 2.20 -1.26 -4.98 119.74 119.84 2qxl s LYS 91 Ca 0.44 1.82 -0.10 0.00 -0.36 0.00 0.00 55.97 57.77 2qxl s LYS 91 Cb -0.07 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.73 2qxl s LYS 91 CO 0.29 -0.42 0.18 -0.51 -0.36 0.00 0.00 175.35 174.52 2qxl s LEU 92 N 1.82 4.32 0.16 5.43 1.43 -1.26 -1.06 118.68 129.51 2qxl s LEU 92 Ca 0.60 0.43 0.06 0.00 -1.03 0.00 0.00 54.13 54.19 2qxl s LEU 92 Cb -0.29 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 2qxl s LEU 92 CO 0.26 0.28 -0.13 0.68 0.23 0.00 0.00 176.35 177.68 2qxl s VAL 93 N -0.37 1.40 0.09 -1.59 -7.23 -0.41 -4.92 120.40 107.37 2qxl s VAL 93 Ca 0.13 -2.03 -0.25 0.00 -1.81 0.00 0.00 61.98 58.02 2qxl s VAL 93 Cb -0.12 -1.84 -0.06 0.00 0.56 0.00 0.00 36.38 34.92 2qxl s VAL 93 CO 0.03 -0.62 0.78 -0.70 -0.31 0.00 0.00 175.10 174.28 2qxl s GLU 94 N -3.46 4.53 0.34 4.82 2.12 -1.26 -1.25 118.70 124.54 2qxl s GLU 94 Ca 0.17 1.12 0.05 0.00 0.36 0.00 0.00 54.97 56.67 2qxl s GLU 94 Cb -0.00 -3.33 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 2qxl s GLU 94 CO 0.03 0.37 0.49 -0.51 -0.54 0.00 0.00 175.26 175.10 2qxl s LEU 95 N -0.38 3.99 0.60 2.70 1.43 -0.37 -4.88 118.68 121.77 2qxl s LEU 95 Ca 0.38 0.00 0.29 0.00 -1.03 0.00 0.00 54.13 53.78 2qxl s LEU 95 Cb -0.21 -2.89 1.55 0.00 0.03 0.00 0.00 46.19 44.66 2qxl s LEU 95 CO 0.24 -0.39 1.95 0.44 0.23 0.00 0.00 176.35 178.83 2qxl h ASP 96 N 0.85 0.00 -0.66 2.29 5.19 -1.98 0.22 116.42 122.33 2qxl h ASP 96 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 2qxl h ASP 96 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2qxl h ASP 96 CO 0.56 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.78 2qxl n ASP 97 N -3.59 4.81 0.00 6.45 5.75 -1.26 -4.94 116.55 123.77 2qxl n ASP 97 Ca 0.05 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 2qxl n ASP 97 Cb 0.53 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 2qxl n ASP 97 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qxl n LYS 98 N 1.16 0.00 -0.63 0.11 4.76 0.07 -5.01 118.16 118.61 2qxl n LYS 98 Ca 0.26 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.59 2qxl n LYS 98 Cb 0.90 -1.64 0.08 0.00 -1.84 0.00 0.00 35.03 32.53 2qxl n LYS 98 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2qxl n LYS 99 N -2.00 -0.81 -4.67 1.97 4.76 -1.26 -0.71 118.16 115.44 2qxl n LYS 99 Ca 0.00 -0.74 -0.33 0.00 -2.87 0.00 0.00 58.31 54.37 2qxl n LYS 99 Cb 0.00 -0.54 -0.13 0.00 -1.84 0.00 0.00 35.03 32.53 2qxl n LYS 99 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2qxl s THR 100 N -2.00 3.41 0.37 -0.18 2.01 -0.46 -1.24 115.64 117.55 2qxl s THR 100 Ca 0.28 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.75 2qxl s THR 100 Cb -0.01 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 2qxl s THR 100 CO 0.20 0.54 0.09 0.61 -0.69 0.00 0.00 174.62 175.38 2qxl n GLY 101 N 3.04 3.44 3.23 4.40 0.00 -0.38 -3.13 105.19 115.79 2qxl n GLY 101 Ca -0.18 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.40 2qxl n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxl s ALA 102 N -2.90 1.89 -0.22 4.61 0.00 0.08 -1.29 121.76 123.94 2qxl s ALA 102 Ca 0.13 -0.92 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 2qxl s ALA 102 Cb 0.01 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 2qxl s ALA 102 CO 0.09 0.39 0.09 -2.00 0.00 0.00 0.00 175.76 174.34 2qxl s GLU 103 N -0.23 3.92 0.07 0.00 2.12 -0.22 -1.43 118.70 122.92 2qxl s GLU 103 Ca 0.00 -0.36 -0.01 0.00 0.36 0.00 0.00 54.97 54.96 2qxl s GLU 103 Cb -0.11 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 2qxl s GLU 103 CO 0.02 0.10 -0.00 0.14 -0.54 0.00 0.00 175.26 174.97 2qxl s VAL 104 N 0.88 0.20 -0.25 3.70 -7.23 0.10 -4.01 120.40 113.79 2qxl s VAL 104 Ca 0.05 -1.79 -0.15 0.00 -1.81 0.00 0.00 61.98 58.27 2qxl s VAL 104 Cb -0.13 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 2qxl s VAL 104 CO 0.03 -0.89 0.38 -0.60 -0.31 0.00 0.00 175.10 173.70 2qxl s ARG 105 N -3.94 4.07 -0.07 4.82 3.52 -1.26 -0.48 118.95 125.61 2qxl s ARG 105 Ca 0.10 0.09 -0.04 0.00 -0.13 0.00 0.00 55.73 55.75 2qxl s ARG 105 Cb 0.08 -3.62 0.04 0.00 -1.56 0.00 0.00 34.95 29.89 2qxl s ARG 105 CO -0.08 -0.20 0.17 0.12 -0.81 0.00 0.00 175.30 174.50 2qxl s PHE 106 N 1.82 -0.21 -1.50 5.12 5.36 0.64 -4.40 117.98 124.81 2qxl s PHE 106 Ca 0.16 0.55 -0.13 0.00 -0.96 0.00 0.00 56.93 56.55 2qxl s PHE 106 Cb -0.15 -0.03 0.10 0.00 -0.34 0.00 0.00 43.02 42.59 2qxl s PHE 106 CO 0.09 -0.17 0.77 0.00 -1.46 0.00 0.00 175.22 174.45 2qxl n ALA 107 N 4.02 -1.19 -0.98 11.12 0.00 -0.25 -1.58 120.51 131.66 2qxl n ALA 107 Ca -0.24 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2qxl n ALA 107 Cb 0.53 -3.71 0.00 0.00 0.00 0.00 0.00 19.45 16.27 2qxl n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qxl n GLY 108 N -1.45 0.56 3.20 0.00 0.00 -1.26 -4.98 105.19 101.27 2qxl n GLY 108 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2qxl n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qxl s GLU 109 N -0.02 1.06 -0.11 1.61 2.02 -0.61 -5.14 118.70 117.50 2qxl s GLU 109 Ca 0.00 -1.52 -0.25 0.00 0.02 0.00 0.00 54.97 53.23 2qxl s GLU 109 Cb 0.00 -0.00 -0.03 0.00 0.10 0.00 0.00 34.13 34.20 2qxl s GLU 109 CO 0.00 -0.22 0.77 0.21 0.02 0.00 0.00 175.26 176.04 2qxl s LYS 110 N -4.00 4.37 -0.00 1.61 2.20 -1.26 -0.26 119.74 122.40 2qxl s LYS 110 Ca 0.26 0.96 0.03 0.00 -0.36 0.00 0.00 55.97 56.86 2qxl s LYS 110 Cb 0.07 -3.51 -0.01 0.00 -1.51 0.00 0.00 37.83 32.87 2qxl s LYS 110 CO 0.04 -0.14 -0.11 -1.01 -0.36 0.00 0.00 175.35 173.78 2qxl s HIS 111 N 1.48 0.96 -0.17 4.03 3.76 0.37 -4.96 115.29 120.76 2qxl s HIS 111 Ca 0.38 -0.21 -0.02 0.00 -0.15 0.00 0.00 55.06 55.07 2qxl s HIS 111 Cb -0.17 -0.61 -0.01 0.00 1.11 0.00 0.00 32.58 32.90 2qxl s HIS 111 CO 0.16 -0.01 -0.09 0.08 -0.85 0.00 0.00 174.74 174.03 2qxl s VAL 112 N -0.35 3.20 -0.04 -0.90 1.01 -1.26 -0.73 120.40 121.34 2qxl s VAL 112 Ca 0.03 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.50 2qxl s VAL 112 Cb -0.05 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 2qxl s VAL 112 CO -0.00 0.48 -0.25 -0.36 0.00 0.00 0.00 175.10 174.97 2qxl s PHE 113 N 0.87 2.40 0.77 5.22 0.08 -0.52 -4.95 117.98 121.85 2qxl s PHE 113 Ca -0.02 -0.55 -0.11 0.00 0.12 0.00 0.00 56.93 56.36 2qxl s PHE 113 Cb -0.15 -1.55 0.05 0.00 -0.57 0.00 0.00 43.02 40.80 2qxl s PHE 113 CO 0.01 -0.11 1.08 -1.54 -0.10 0.00 0.00 175.22 174.56 2qxl s SER 114 N -0.41 4.65 0.25 1.36 1.04 -1.26 -0.74 113.70 118.59 2qxl s SER 114 Ca 0.04 1.63 -0.04 0.00 0.48 0.00 0.00 55.95 58.06 2qxl s SER 114 Cb -0.12 -2.39 0.38 0.00 0.10 0.00 0.00 66.02 63.99 2qxl s SER 114 CO 0.01 -1.91 1.85 0.00 0.98 0.00 0.00 173.24 174.16 2qxl h ALA 115 N -1.05 1.25 -0.51 5.32 0.00 -1.84 -0.91 119.26 121.52 2qxl h ALA 115 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2qxl h ALA 115 Cb 1.24 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2qxl h ALA 115 CO 0.55 0.26 0.25 1.15 0.00 0.00 0.00 179.25 181.46 2qxl h THR 116 N 0.97 1.19 0.00 0.00 2.02 -1.91 -1.69 112.91 113.51 2qxl h THR 116 Ca 0.40 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 67.04 2qxl h THR 116 Cb 0.24 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2qxl h THR 116 CO -0.20 0.22 -0.01 1.56 0.37 0.00 0.00 175.52 177.46 2qxl h GLN 117 N 0.68 -0.01 -0.58 6.66 4.20 -1.82 -1.72 115.11 122.52 2qxl h GLN 117 Ca 0.18 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.95 2qxl h GLN 117 Cb 0.11 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 2qxl h GLN 117 CO -0.02 -0.01 0.29 -0.07 -0.67 0.00 0.00 178.83 178.35 2qxl h LEU 118 N -0.01 0.40 -0.93 1.46 3.38 -1.01 -0.56 115.31 118.04 2qxl h LEU 118 Ca 0.00 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2qxl h LEU 118 Cb 0.01 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2qxl h LEU 118 CO -0.00 0.26 0.39 0.00 0.09 0.00 0.00 178.44 179.18 2qxl h ALA 119 N 1.33 1.16 -0.63 1.53 0.00 -1.31 -2.73 119.26 118.62 2qxl h ALA 119 Ca 0.27 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2qxl h ALA 119 Cb 0.20 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2qxl h ALA 119 CO -0.20 0.64 0.19 0.00 0.00 0.00 0.00 179.25 179.87 2qxl h ALA 120 N 1.28 1.13 -0.25 0.00 0.00 -0.35 -1.17 119.26 119.90 2qxl h ALA 120 Ca 0.28 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2qxl h ALA 120 Cb 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2qxl h ALA 120 CO -0.04 0.59 -0.00 0.52 0.00 0.00 0.00 179.25 180.33 2qxl h MET 121 N 0.94 0.07 -0.33 0.00 2.07 -0.85 -0.64 114.93 116.18 2qxl h MET 121 Ca 0.21 -0.00 -0.03 0.00 -2.07 0.00 0.00 59.70 57.81 2qxl h MET 121 Cb 0.29 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.99 2qxl h MET 121 CO -0.01 0.05 0.11 0.35 1.07 0.00 0.00 176.91 178.48 2qxl h PHE 122 N 0.08 0.54 -0.91 -0.22 3.57 -1.28 -2.04 116.94 116.67 2qxl h PHE 122 Ca 0.12 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.57 2qxl h PHE 122 Cb 0.15 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 2qxl h PHE 122 CO -0.20 0.53 0.59 0.82 -2.23 0.00 0.00 178.31 177.83 2qxl h ILE 123 N 0.39 1.24 -0.67 1.41 2.04 -1.12 -1.98 117.51 118.83 2qxl h ILE 123 Ca 0.11 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 2qxl h ILE 123 Cb 0.24 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 2qxl h ILE 123 CO -0.00 0.23 0.23 -0.78 0.00 0.00 0.00 178.15 177.83 2qxl h ASP 124 N 1.24 0.93 0.44 1.72 1.82 -0.95 0.72 116.42 122.35 2qxl h ASP 124 Ca 0.33 -0.15 -0.02 0.00 -0.39 0.00 0.00 57.03 56.80 2qxl h ASP 124 Cb -0.13 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 39.64 2qxl h ASP 124 CO -0.07 0.86 -0.23 0.50 -1.61 0.00 0.00 179.24 178.68 2qxl h LYS 125 N 0.98 -0.60 0.00 0.28 1.63 -0.80 -2.09 116.57 115.97 2qxl h LYS 125 Ca 0.22 0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 60.00 2qxl h LYS 125 Cb 0.25 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 2qxl h LYS 125 CO -0.01 -0.40 -0.29 -0.39 -3.45 0.00 0.00 179.45 174.91 2qxl h VAL 126 N -0.62 0.96 -0.32 2.00 -1.51 -1.19 -1.83 116.25 113.74 2qxl h VAL 126 Ca -0.05 -1.08 -0.01 0.00 -1.23 0.00 0.00 66.70 64.32 2qxl h VAL 126 Cb 0.49 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 2qxl h VAL 126 CO 0.08 0.28 0.15 0.50 -1.23 0.00 0.00 177.57 177.35 2qxl h LYS 127 N 0.00 0.47 -0.68 5.19 3.64 -0.79 -1.58 116.57 122.82 2qxl h LYS 127 Ca -0.00 -0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.38 2qxl h LYS 127 Cb 0.60 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.27 2qxl h LYS 127 CO 0.04 0.44 0.35 0.22 -2.27 0.00 0.00 179.45 178.23 2qxl h ASP 128 N 0.39 0.49 -0.36 4.20 3.58 -0.67 -0.71 116.42 123.34 2qxl h ASP 128 Ca 0.11 0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.67 2qxl h ASP 128 Cb 0.13 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.08 2qxl h ASP 128 CO -0.01 0.30 0.03 0.74 -2.88 0.00 0.00 179.24 177.42 2qxl h THR 129 N 0.63 0.77 -0.39 2.25 2.02 -1.12 0.92 112.91 117.99 2qxl h THR 129 Ca 0.32 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.45 2qxl h THR 129 Cb 0.29 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 2qxl h THR 129 CO -0.23 0.03 0.22 0.58 0.37 0.00 0.00 175.52 176.49 2qxl h VAL 130 N 0.14 1.14 -0.92 3.16 2.07 -1.01 -2.15 116.25 118.68 2qxl h VAL 130 Ca 0.17 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.35 2qxl h VAL 130 Cb 0.22 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2qxl h VAL 130 CO -0.26 0.14 0.60 0.11 0.02 0.00 0.00 177.57 178.19 2qxl h LYS 131 N 0.50 1.22 0.00 1.57 1.57 -0.69 -0.09 116.57 120.65 2qxl h LYS 131 Ca 0.14 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 2qxl h LYS 131 Cb 0.03 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 2qxl h LYS 131 CO -0.02 0.81 -0.30 1.96 -0.57 0.00 0.00 179.45 181.33 2qxl h GLN 132 N 1.26 0.00 0.18 3.15 4.20 -0.67 0.14 115.11 123.37 2qxl h GLN 132 Ca 0.34 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.80 2qxl h GLN 132 Cb -0.13 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.67 2qxl h GLN 132 CO -0.07 0.30 -1.09 0.22 -0.67 0.00 0.00 178.83 177.52 2qxl h ASP 133 N 0.00 0.60 0.67 1.46 3.58 -0.84 -3.38 116.42 118.51 2qxl h ASP 133 Ca -0.00 -0.94 0.00 0.00 0.42 0.00 0.00 57.03 56.51 2qxl h ASP 133 Cb 0.85 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.70 2qxl h ASP 133 CO 0.04 1.53 -1.04 0.35 -2.88 0.00 0.00 179.24 177.24 2qxl n THR 134 N -3.96 0.35 -1.08 2.25 -2.24 -0.10 -4.95 114.28 104.54 2qxl n THR 134 Ca -0.16 -0.38 -0.03 0.00 -2.27 0.00 0.00 64.05 61.21 2qxl n THR 134 Cb 0.93 -0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 2qxl n THR 134 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qxl n LYS 135 N -2.27 -1.86 -3.42 -0.78 4.76 0.50 -4.96 118.16 110.13 2qxl n LYS 135 Ca 0.01 0.59 -0.20 0.00 -2.87 0.00 0.00 58.31 55.83 2qxl n LYS 135 Cb 0.49 -5.02 -0.02 0.00 -1.84 0.00 0.00 35.03 28.64 2qxl n LYS 135 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qxl s ALA 136 N -1.27 4.22 0.04 7.82 0.00 -1.25 -5.06 121.76 126.26 2qxl s ALA 136 Ca 0.00 -1.82 -0.15 0.00 0.00 0.00 0.00 51.96 49.99 2qxl s ALA 136 Cb 0.00 -1.17 -0.06 0.00 0.00 0.00 0.00 23.12 21.89 2qxl s ALA 136 CO 0.00 -0.28 0.46 1.21 0.00 0.00 0.00 175.76 177.15 2qxl s ASN 137 N -4.21 6.86 -0.18 0.00 2.47 -1.26 -4.62 114.94 114.00 2qxl s ASN 137 Ca 0.50 1.04 -0.04 0.00 0.42 0.00 0.00 52.86 54.77 2qxl s ASN 137 Cb -0.05 -2.28 -0.02 0.00 -1.45 0.00 0.00 41.25 37.45 2qxl s ASN 137 CO 0.29 0.29 -0.03 -0.63 -3.72 0.00 0.00 177.10 173.30 2qxl s ILE 138 N -1.14 3.78 0.00 -5.21 -1.09 -1.26 -4.39 121.20 111.89 2qxl s ILE 138 Ca 0.27 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 2qxl s ILE 138 Cb -0.17 -2.68 0.00 0.00 -1.58 0.00 0.00 42.46 38.03 2qxl s ILE 138 CO 0.16 0.46 0.00 1.07 -1.23 0.00 0.00 174.94 175.40 2qxl n THR 139 N 3.95 0.00 -4.38 2.92 5.66 -1.26 -4.89 114.28 116.28 2qxl n THR 139 Ca -0.17 -0.04 -0.22 0.00 -3.05 0.00 0.00 64.05 60.57 2qxl n THR 139 Cb 0.52 0.42 -0.13 0.00 -1.55 0.00 0.00 70.33 69.59 2qxl n THR 139 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2qxl s ASP 140 N -1.36 2.03 0.03 1.09 1.01 -1.26 -0.02 116.67 118.19 2qxl s ASP 140 Ca 0.00 -0.54 0.02 0.00 0.71 0.00 0.00 52.55 52.74 2qxl s ASP 140 Cb 0.00 -0.13 -0.02 0.00 1.01 0.00 0.00 42.92 43.79 2qxl s ASP 140 CO 0.00 0.05 -0.07 0.68 0.21 0.00 0.00 175.17 176.04 2qxl s VAL 141 N -0.97 0.51 -0.23 -1.27 -7.23 0.64 -3.80 120.40 108.05 2qxl s VAL 141 Ca 0.03 -0.81 -0.06 0.00 -1.81 0.00 0.00 61.98 59.34 2qxl s VAL 141 Cb -0.09 -0.54 -0.02 0.00 0.56 0.00 0.00 36.38 36.30 2qxl s VAL 141 CO 0.02 -0.22 0.02 0.00 -0.31 0.00 0.00 175.10 174.62 2qxl s ILE 143 N 1.50 4.25 -0.11 0.00 1.01 -0.98 -0.49 121.20 126.39 2qxl s ILE 143 Ca 0.06 -0.22 -0.19 0.00 0.00 0.00 0.00 60.65 60.30 2qxl s ILE 143 Cb -0.15 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 2qxl s ILE 143 CO 0.01 0.43 0.52 0.00 0.00 0.00 0.00 174.94 175.90 2qxl s ALA 144 N 0.81 3.45 0.20 9.38 0.00 -0.27 -0.69 121.76 134.63 2qxl s ALA 144 Ca 0.02 -0.13 0.08 0.00 0.00 0.00 0.00 51.96 51.92 2qxl s ALA 144 Cb -0.14 -2.71 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 2qxl s ALA 144 CO 0.02 -0.03 -0.15 0.14 0.00 0.00 0.00 175.76 175.74 2qxl s VAL 145 N 0.68 1.75 0.54 0.00 -7.23 0.72 -3.80 120.40 113.06 2qxl s VAL 145 Ca 0.28 -2.15 -0.20 0.00 -1.81 0.00 0.00 61.98 58.10 2qxl s VAL 145 Cb -0.16 -1.99 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 2qxl s VAL 145 CO 0.12 -0.54 1.19 -2.16 -0.31 0.00 0.00 175.10 173.40 2qxl s PRO 146 N -3.46 3.32 0.63 4.82 0.05 -1.26 0.45 135.00 139.55 2qxl s PRO 146 Ca 0.21 1.80 0.40 0.00 0.05 0.00 0.00 61.00 63.46 2qxl s PRO 146 Cb -0.02 -2.12 2.08 0.00 0.05 0.00 0.00 34.50 34.49 2qxl s PRO 146 CO 0.07 -0.92 2.26 -1.35 0.05 0.00 0.00 177.00 177.11 2qxl h PRO 147 N 1.37 0.00 0.00 0.56 0.11 -1.94 -1.46 132.00 130.64 2qxl h PRO 147 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2qxl h PRO 147 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2qxl h PRO 147 CO 0.57 0.01 0.00 -2.67 -0.21 0.00 0.00 178.00 175.70 2qxl n TRP 148 N -3.18 0.00 -1.60 0.65 4.27 -1.26 -4.85 117.44 111.47 2qxl n TRP 148 Ca -0.02 0.00 -0.52 0.00 -3.89 0.00 0.00 57.50 53.07 2qxl n TRP 148 Cb 0.14 -0.49 -0.06 0.00 -1.36 0.00 0.00 31.31 29.54 2qxl n TRP 148 CO 0.00 0.00 0.00 0.66 -2.29 0.00 0.00 177.69 176.06 2qxl n TYR 149 N -1.49 1.58 -1.72 -2.67 4.02 -0.55 -4.95 117.16 111.37 2qxl n TYR 149 Ca 0.06 0.61 -0.30 0.00 -0.01 0.00 0.00 57.90 58.26 2qxl n TYR 149 Cb 0.27 -2.35 0.07 0.00 -0.02 0.00 0.00 39.34 37.32 2qxl n TYR 149 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2qxl s THR 150 N 0.61 3.10 0.23 -0.72 -4.23 -1.26 -4.89 115.64 108.48 2qxl s THR 150 Ca 0.84 0.36 -0.07 0.00 -1.18 0.00 0.00 61.69 61.65 2qxl s THR 150 Cb -0.94 -3.23 0.18 0.00 1.34 0.00 0.00 72.50 69.85 2qxl s THR 150 CO 0.47 -0.47 1.75 -0.08 -0.54 0.00 0.00 174.62 175.75 2qxl h GLU 151 N -0.93 0.46 -0.37 3.99 4.81 -1.94 -1.74 114.58 118.87 2qxl h GLU 151 Ca -0.46 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.76 2qxl h GLU 151 Cb 1.27 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 2qxl h GLU 151 CO 0.62 0.31 0.19 1.49 -0.73 0.00 0.00 179.01 180.89 2qxl h GLU 152 N 0.48 0.39 -0.32 1.92 4.81 -1.96 -2.22 114.58 117.67 2qxl h GLU 152 Ca 0.36 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 2qxl h GLU 152 Cb 0.46 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2qxl h GLU 152 CO -0.33 0.25 0.20 1.96 -0.73 0.00 0.00 179.01 180.37 2qxl h GLN 153 N 0.40 0.43 -0.29 1.92 4.20 -1.74 0.11 115.11 120.14 2qxl h GLN 153 Ca 0.15 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 2qxl h GLN 153 Cb 0.04 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2qxl h GLN 153 CO -0.09 0.29 -0.22 0.00 -0.67 0.00 0.00 178.83 178.14 2qxl h ARG 154 N 0.44 0.67 -0.47 1.46 3.08 -0.90 -1.47 114.38 117.18 2qxl h ARG 154 Ca 0.12 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 2qxl h ARG 154 Cb -0.03 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2qxl h ARG 154 CO -0.02 0.93 0.29 1.88 -1.07 0.00 0.00 179.97 181.97 2qxl h TYR 155 N 0.41 0.62 -0.39 3.04 -1.99 -1.02 -2.38 116.97 115.27 2qxl h TYR 155 Ca 0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.79 2qxl h TYR 155 Cb 0.77 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 39.28 2qxl h TYR 155 CO 0.07 0.43 0.25 -0.91 -0.00 0.00 0.00 178.16 178.00 2qxl h ASN 156 N 0.63 0.46 0.15 3.88 2.35 -0.74 -1.42 115.58 120.89 2qxl h ASN 156 Ca 0.17 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 2qxl h ASN 156 Cb -0.01 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2qxl h ASN 156 CO -0.03 0.34 -0.38 -0.29 -1.65 0.00 0.00 177.43 175.42 2qxl h ILE 157 N 0.52 1.30 -0.42 2.81 6.09 -1.27 -0.07 117.51 126.47 2qxl h ILE 157 Ca 0.14 -1.47 -0.03 0.00 -1.37 0.00 0.00 64.86 62.14 2qxl h ILE 157 Cb -0.04 1.61 -0.02 0.00 0.47 0.00 0.00 36.82 38.84 2qxl h ILE 157 CO -0.03 0.44 0.16 0.00 -3.07 0.00 0.00 178.15 175.66 2qxl h ALA 158 N 1.34 0.55 -0.16 0.18 0.00 -1.21 -1.22 119.26 118.74 2qxl h ALA 158 Ca 0.03 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2qxl h ALA 158 Cb 0.79 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2qxl h ALA 158 CO 0.06 0.16 -0.33 -0.44 0.00 0.00 0.00 179.25 178.71 2qxl h ASP 159 N 0.54 0.32 -0.77 0.00 3.32 -1.03 -1.83 116.42 116.97 2qxl h ASP 159 Ca 0.14 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2qxl h ASP 159 Cb 0.20 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 2qxl h ASP 159 CO -0.01 0.64 0.41 0.00 -1.72 0.00 0.00 179.24 178.56 2qxl h ALA 160 N 1.39 0.99 -0.97 3.45 0.00 -0.67 -0.32 119.26 123.12 2qxl h ALA 160 Ca 0.04 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2qxl h ALA 160 Cb 0.71 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2qxl h ALA 160 CO 0.05 0.51 0.63 0.00 0.00 0.00 0.00 179.25 180.45 2qxl h ALA 161 N 1.21 1.37 -0.32 0.00 0.00 -0.82 -2.55 119.26 118.15 2qxl h ALA 161 Ca 0.27 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2qxl h ALA 161 Cb 0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2qxl h ALA 161 CO -0.04 0.54 -0.09 0.00 0.00 0.00 0.00 179.25 179.66 2qxl h ARG 162 N 1.23 0.62 -0.82 0.00 3.08 -0.73 -0.38 114.38 117.38 2qxl h ARG 162 Ca 0.38 -0.25 0.15 0.00 0.07 0.00 0.00 59.98 60.33 2qxl h ARG 162 Cb -0.01 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.95 2qxl h ARG 162 CO -0.11 0.81 0.54 0.82 -1.07 0.00 0.00 179.97 180.96 2qxl h ILE 163 N 0.39 0.80 -0.08 2.04 2.04 -0.94 -0.34 117.51 121.42 2qxl h ILE 163 Ca 0.08 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2qxl h ILE 163 Cb 0.60 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2qxl h ILE 163 CO 0.03 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.28 2qxl n ALA 164 N -2.49 2.55 -0.75 1.87 0.00 -0.97 -4.66 120.51 116.05 2qxl n ALA 164 Ca 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2qxl n ALA 164 Cb 0.52 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.80 2qxl n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qxl n GLY 165 N 0.89 0.54 3.45 0.00 0.00 -0.14 -4.75 105.19 105.18 2qxl n GLY 165 Ca 0.13 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 2qxl n GLY 165 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qxl s LEU 166 N 0.00 2.62 -0.25 0.99 1.43 -0.19 -4.81 118.68 118.47 2qxl s LEU 166 Ca 0.00 -0.29 -0.25 0.00 -1.03 0.00 0.00 54.13 52.56 2qxl s LEU 166 Cb 0.00 -1.52 -0.00 0.00 0.03 0.00 0.00 46.19 44.70 2qxl s LEU 166 CO 0.00 0.32 0.87 0.21 0.23 0.00 0.00 176.35 177.98 2qxl s ASN 167 N -0.91 6.86 -0.65 2.29 2.47 0.96 -3.18 114.94 122.78 2qxl s ASN 167 Ca 0.12 1.04 -0.25 0.00 0.42 0.00 0.00 52.86 54.20 2qxl s ASN 167 Cb -0.10 -2.45 0.05 0.00 -1.45 0.00 0.00 41.25 37.29 2qxl s ASN 167 CO 0.02 -0.57 1.09 -2.16 -3.72 0.00 0.00 177.10 171.75 2qxl s PRO 168 N 2.95 3.22 0.30 0.43 0.04 -1.26 -0.26 135.00 140.43 2qxl s PRO 168 Ca 0.36 -0.41 0.05 0.00 0.04 0.00 0.00 61.00 61.05 2qxl s PRO 168 Cb -0.15 -4.15 0.48 0.00 0.04 0.00 0.00 34.50 30.72 2qxl s PRO 168 CO 0.08 -1.84 1.74 -0.39 0.04 0.00 0.00 177.00 176.63 2qxl h VAL 169 N 6.02 1.27 -2.16 -0.36 -1.51 -1.42 -3.45 116.25 114.64 2qxl h VAL 169 Ca -0.28 -1.31 -0.06 0.00 -1.23 0.00 0.00 66.70 63.82 2qxl h VAL 169 Cb 1.06 1.48 -0.21 0.00 -2.13 0.00 0.00 31.29 31.50 2qxl h VAL 169 CO 1.19 0.40 0.07 -0.60 -1.23 0.00 0.00 177.57 177.41 2qxl s ARG 170 N -4.37 0.83 -0.38 5.19 3.52 -1.25 -4.96 118.95 117.53 2qxl s ARG 170 Ca -0.06 0.69 -0.10 0.00 -0.13 0.00 0.00 55.73 56.13 2qxl s ARG 170 Cb 0.14 0.40 0.04 0.00 -1.56 0.00 0.00 34.95 33.97 2qxl s ARG 170 CO 0.77 -0.16 0.21 0.42 -0.81 0.00 0.00 175.30 175.74 2qxl s ILE 171 N -0.13 4.39 -0.01 4.11 -1.09 -1.26 -2.33 121.20 124.88 2qxl s ILE 171 Ca -0.04 -1.05 0.00 0.00 -2.23 0.00 0.00 60.65 57.33 2qxl s ILE 171 Cb -0.03 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.28 2qxl s ILE 171 CO 0.03 -0.31 0.05 0.54 -1.23 0.00 0.00 174.94 174.02 2qxl s VAL 172 N 1.50 4.49 0.19 2.92 0.11 0.13 -4.50 120.40 125.24 2qxl s VAL 172 Ca 0.02 -0.46 -0.31 0.00 -2.93 0.00 0.00 61.98 58.30 2qxl s VAL 172 Cb -0.20 -3.03 -0.09 0.00 -1.53 0.00 0.00 36.38 31.53 2qxl s VAL 172 CO 0.05 0.38 1.44 0.20 -3.33 0.00 0.00 175.10 173.84 2qxl s ASN 173 N -1.61 6.71 0.20 3.54 0.01 -1.26 -0.20 114.94 122.33 2qxl s ASN 173 Ca 0.21 2.54 -0.09 0.00 -0.71 0.00 0.00 52.86 54.80 2qxl s ASN 173 Cb -0.12 -2.60 0.12 0.00 0.41 0.00 0.00 41.25 39.06 2qxl s ASN 173 CO 0.12 -0.70 1.74 -2.24 -1.51 0.00 0.00 177.10 174.51 2qxl h ASP 174 N 5.96 1.00 0.19 -1.22 3.04 -0.32 -2.37 116.42 122.70 2qxl h ASP 174 Ca -0.44 -0.19 -0.11 0.00 -3.24 0.00 0.00 57.03 53.05 2qxl h ASP 174 Cb 1.21 -0.26 -0.01 0.00 -1.04 0.00 0.00 39.33 39.23 2qxl h ASP 174 CO 0.83 0.92 -0.41 0.58 -2.04 0.00 0.00 179.24 179.13 2qxl h VAL 175 N 1.03 1.31 -0.63 4.15 2.07 -1.92 -2.11 116.25 120.14 2qxl h VAL 175 Ca 0.23 -1.52 0.04 0.00 0.82 0.00 0.00 66.70 66.27 2qxl h VAL 175 Cb 0.26 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 2qxl h VAL 175 CO -0.01 0.46 0.37 0.74 0.02 0.00 0.00 177.57 179.15 2qxl h THR 176 N 0.24 1.03 -0.99 2.57 2.02 -1.84 -0.60 112.91 115.35 2qxl h THR 176 Ca 0.02 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 66.97 2qxl h THR 176 Cb 0.82 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 2qxl h THR 176 CO 0.07 0.13 0.65 0.00 0.37 0.00 0.00 175.52 176.74 2qxl h ALA 177 N 1.30 1.27 -0.30 6.16 0.00 -0.97 -1.39 119.26 125.34 2qxl h ALA 177 Ca 0.27 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 2qxl h ALA 177 Cb 0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2qxl h ALA 177 CO -0.13 0.60 -0.29 0.00 0.00 0.00 0.00 179.25 179.43 2qxl h ALA 178 N 1.38 0.94 -0.90 0.00 0.00 -1.07 -2.54 119.26 117.08 2qxl h ALA 178 Ca 0.37 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2qxl h ALA 178 Cb -0.10 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 2qxl h ALA 178 CO -0.10 0.61 0.58 0.78 0.00 0.00 0.00 179.25 181.13 2qxl h GLY 179 N 1.01 1.29 1.00 0.00 0.00 -0.37 -1.49 103.07 104.52 2qxl h GLY 179 Ca 0.07 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2qxl h GLY 179 CO 0.06 0.41 0.38 -2.08 0.00 0.00 0.00 176.54 175.30 2qxl h VAL 180 N 1.16 1.20 -0.60 4.60 2.07 -1.18 0.59 116.25 124.09 2qxl h VAL 180 Ca 0.35 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.46 2qxl h VAL 180 Cb -0.04 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 29.99 2qxl h VAL 180 CO -0.10 0.21 0.30 0.28 0.02 0.00 0.00 177.57 178.27 2qxl h SER 181 N 0.89 0.40 -0.09 0.57 0.02 -0.98 0.54 113.55 114.90 2qxl h SER 181 Ca 0.23 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2qxl h SER 181 Cb 0.01 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 2qxl h SER 181 CO -0.04 0.26 0.06 0.22 -1.14 0.00 0.00 176.83 176.19 2qxl h TYR 182 N 0.55 0.11 -0.88 3.45 3.20 -0.98 -2.64 116.97 119.78 2qxl h TYR 182 Ca 0.28 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 2qxl h TYR 182 Cb 0.22 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 2qxl h TYR 182 CO -0.11 0.09 0.53 0.78 -1.64 0.00 0.00 178.16 177.81 2qxl h GLY 183 N 0.11 1.28 1.93 1.82 0.00 -0.18 -1.05 103.07 106.97 2qxl h GLY 183 Ca 0.03 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2qxl h GLY 183 CO -0.01 0.51 -0.06 0.16 0.00 0.00 0.00 176.54 177.14 2qxl h ILE 184 N 1.21 0.00 0.05 2.60 3.07 -0.95 -3.35 117.51 120.13 2qxl h ILE 184 Ca 0.32 -0.64 -0.26 0.00 1.55 0.00 0.00 64.86 65.83 2qxl h ILE 184 Cb -0.05 1.60 -0.02 0.00 -0.27 0.00 0.00 36.82 38.08 2qxl h ILE 184 CO -0.06 0.00 -1.40 0.15 -1.05 0.00 0.00 178.15 175.79 2qxl h PHE 185 N 0.00 0.18 -3.65 0.16 3.57 -1.06 -3.47 116.94 112.68 2qxl h PHE 185 Ca 0.00 -0.13 -0.53 0.00 3.53 0.00 0.00 57.97 60.84 2qxl h PHE 185 Cb 0.82 -0.01 0.07 0.00 2.79 0.00 0.00 35.95 39.63 2qxl h PHE 185 CO 0.00 1.55 0.75 0.15 -2.23 0.00 0.00 178.31 178.53 2qxl s LYS 186 N -2.42 4.23 0.00 1.11 -0.14 -0.44 -4.94 119.74 117.15 2qxl s LYS 186 Ca -0.26 2.38 0.04 0.00 -1.36 0.00 0.00 55.97 56.78 2qxl s LYS 186 Cb 0.05 -3.05 0.05 0.00 -1.68 0.00 0.00 37.83 33.20 2qxl s LYS 186 CO 0.66 -0.41 0.71 0.25 -0.76 0.00 0.00 175.35 175.81 2qxl n THR 187 N 1.44 0.16 -1.18 2.17 -2.24 -1.26 -4.67 114.28 108.69 2qxl n THR 187 Ca 0.04 -0.58 0.09 0.00 -2.27 0.00 0.00 64.05 61.32 2qxl n THR 187 Cb 0.40 1.00 0.17 0.00 -2.10 0.00 0.00 70.33 69.79 2qxl n THR 187 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2qxl n ASP 188 N 0.19 2.34 -4.77 3.42 5.75 -1.26 -5.06 116.55 117.16 2qxl n ASP 188 Ca 0.03 -3.27 -0.35 0.00 -0.01 0.00 0.00 54.79 51.19 2qxl n ASP 188 Cb 0.14 -0.47 0.01 0.00 -1.03 0.00 0.00 41.12 39.78 2qxl n ASP 188 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2qxl s LEU 189 N -2.96 3.67 0.70 -2.12 1.43 -1.26 -5.00 118.68 113.13 2qxl s LEU 189 Ca 0.34 2.14 -0.17 0.00 -1.03 0.00 0.00 54.13 55.41 2qxl s LEU 189 Cb 0.31 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.97 2qxl s LEU 189 CO 0.01 -1.31 1.25 -2.65 0.23 0.00 0.00 176.35 173.89 2qxl n PRO 190 N -1.54 0.82 -4.29 1.29 -0.02 -1.26 -4.48 135.00 125.52 2qxl n PRO 190 Ca 0.11 0.34 -0.16 0.00 -2.02 0.00 0.00 63.50 61.77 2qxl n PRO 190 Cb 0.51 -2.49 -0.10 0.00 -0.02 0.00 0.00 33.50 31.40 2qxl n PRO 190 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2qxl s GLU 191 N -3.57 1.16 6.78 -0.52 2.02 -1.26 -0.65 118.70 122.66 2qxl s GLU 191 Ca 0.80 -1.49 0.00 0.00 0.02 0.00 0.00 54.97 54.30 2qxl s GLU 191 Cb -0.35 -0.85 0.00 0.00 0.10 0.00 0.00 34.13 33.03 2qxl s GLU 191 CO 0.44 0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.26 2qxl n GLY 192 N -0.20 3.17 0.05 -1.39 0.00 -1.26 -1.94 105.19 103.62 2qxl n GLY 192 Ca -0.10 0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2qxl n GLY 192 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2qxl n GLU 193 N 8.73 0.34 -1.56 1.61 0.28 -1.26 -4.96 120.64 123.82 2qxl n GLU 193 Ca 0.00 0.03 -0.40 0.00 -0.16 0.00 0.00 57.16 56.62 2qxl n GLU 193 Cb 0.00 -1.64 0.02 0.00 1.43 0.00 0.00 31.44 31.25 2qxl n GLU 193 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2qxl n GLU 194 N -2.10 0.99 -1.65 3.44 1.02 -0.82 -4.88 120.64 116.64 2qxl n GLU 194 Ca 0.02 0.36 -0.46 0.00 -0.02 0.00 0.00 57.16 57.07 2qxl n GLU 194 Cb 0.46 -1.91 -0.03 0.00 -0.02 0.00 0.00 31.44 29.94 2qxl n GLU 194 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2qxl n LYS 195 N 0.00 1.89 -1.70 3.49 4.01 -1.26 -4.75 118.16 119.84 2qxl n LYS 195 Ca 0.11 0.67 -0.35 0.00 -0.51 0.00 0.00 58.31 58.24 2qxl n LYS 195 Cb 0.42 -2.31 0.06 0.00 -0.51 0.00 0.00 35.03 32.69 2qxl n LYS 195 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2qxl s PRO 196 N -0.32 2.56 -0.06 1.97 0.04 -1.26 -4.77 135.00 133.15 2qxl s PRO 196 Ca 0.70 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 63.20 2qxl s PRO 196 Cb -0.69 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 2qxl s PRO 196 CO 0.49 -1.51 0.90 0.50 0.04 0.00 0.00 177.00 177.43 2qxl s ARG 197 N -3.71 4.46 -0.31 4.56 3.52 -0.49 -4.81 118.95 122.18 2qxl s ARG 197 Ca 0.75 1.24 -0.13 0.00 -0.13 0.00 0.00 55.73 57.45 2qxl s ARG 197 Cb -0.29 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.58 2qxl s ARG 197 CO 0.40 -0.13 0.29 0.42 -0.81 0.00 0.00 175.30 175.48 2qxl s ILE 198 N 1.36 5.23 -0.08 4.11 -1.09 -1.26 -0.42 121.20 129.06 2qxl s ILE 198 Ca 0.46 0.16 0.04 0.00 -2.23 0.00 0.00 60.65 59.08 2qxl s ILE 198 Cb -0.19 -3.69 -0.00 0.00 -1.58 0.00 0.00 42.46 37.00 2qxl s ILE 198 CO 0.21 0.08 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.09 2qxl s VAL 199 N 1.91 1.85 -0.10 2.92 1.01 -0.08 0.11 120.40 128.02 2qxl s VAL 199 Ca 0.10 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 2qxl s VAL 199 Cb -0.16 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 2qxl s VAL 199 CO 0.11 0.51 0.26 0.00 0.00 0.00 0.00 175.10 175.98 2qxl s ALA 200 N 0.28 3.75 -0.13 5.51 0.00 0.57 -0.62 121.76 131.11 2qxl s ALA 200 Ca -0.14 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.36 2qxl s ALA 200 Cb -0.16 -2.21 -0.00 0.00 0.00 0.00 0.00 23.12 20.75 2qxl s ALA 200 CO 0.07 0.43 -0.18 -0.06 0.00 0.00 0.00 175.76 176.01 2qxl s PHE 201 N -0.62 2.71 -0.19 0.00 0.08 0.17 -0.21 117.98 119.93 2qxl s PHE 201 Ca 0.18 -1.01 0.01 0.00 0.12 0.00 0.00 56.93 56.23 2qxl s PHE 201 Cb -0.14 -1.82 0.02 0.00 -0.57 0.00 0.00 43.02 40.51 2qxl s PHE 201 CO 0.07 -0.43 -0.19 0.08 -0.10 0.00 0.00 175.22 174.65 2qxl s VAL 202 N 0.59 2.15 -0.22 -0.44 1.01 -0.07 -0.48 120.40 122.93 2qxl s VAL 202 Ca -0.10 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 60.94 2qxl s VAL 202 Cb -0.16 -1.93 0.04 0.00 0.00 0.00 0.00 36.38 34.33 2qxl s VAL 202 CO 0.03 0.50 -0.15 -0.62 0.00 0.00 0.00 175.10 174.86 2qxl s ASP 203 N 1.29 3.85 -0.19 3.32 2.15 -0.03 -0.85 116.67 126.22 2qxl s ASP 203 Ca 0.04 -1.07 0.00 0.00 0.43 0.00 0.00 52.55 51.96 2qxl s ASP 203 Cb -0.13 -1.51 0.02 0.00 -0.30 0.00 0.00 42.92 40.99 2qxl s ASP 203 CO -0.12 -0.11 -0.17 -0.63 -0.17 0.00 0.00 175.17 173.98 2qxl s ILE 204 N 1.19 2.34 0.00 4.11 1.01 -1.14 -0.23 121.20 128.48 2qxl s ILE 204 Ca -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2qxl s ILE 204 Cb -0.17 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.29 2qxl s ILE 204 CO -0.08 0.50 0.00 0.61 0.00 0.00 0.00 174.94 175.97 2qxl n GLY 205 N 4.65 3.24 0.13 6.18 0.00 -0.53 -1.80 105.19 117.06 2qxl n GLY 205 Ca -0.20 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.49 2qxl n GLY 205 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2qxl h HIS 206 N 0.00 0.58 0.00 1.61 2.76 -1.91 -0.41 115.15 117.78 2qxl h HIS 206 Ca 0.00 -0.38 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 2qxl h HIS 206 Cb 0.00 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 28.92 2qxl h HIS 206 CO 0.00 1.26 -0.59 -1.13 -1.30 0.00 0.00 177.93 176.17 2qxl n SER 207 N -3.63 2.95 -4.32 3.26 3.41 -1.26 -0.71 113.62 113.31 2qxl n SER 207 Ca -0.09 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.29 2qxl n SER 207 Cb 0.96 0.47 -0.12 0.00 -0.26 0.00 0.00 64.21 65.26 2qxl n SER 207 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2qxl s SER 208 N -1.60 2.70 -0.22 4.04 0.01 -1.19 -2.41 113.70 115.03 2qxl s SER 208 Ca 0.00 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2qxl s SER 208 Cb 0.00 -0.16 0.06 0.00 0.21 0.00 0.00 66.02 66.13 2qxl s SER 208 CO 0.00 0.03 -0.04 -0.47 0.41 0.00 0.00 173.24 173.17 2qxl s TYR 209 N -1.54 2.13 -0.09 2.43 6.04 -0.21 -1.46 117.35 124.66 2qxl s TYR 209 Ca 0.11 -1.57 0.02 0.00 0.04 0.00 0.00 57.07 55.68 2qxl s TYR 209 Cb -0.08 -1.47 -0.02 0.00 -1.04 0.00 0.00 41.96 39.35 2qxl s TYR 209 CO 0.06 -0.74 -0.15 0.99 -1.54 0.00 0.00 175.55 174.17 2qxl s THR 210 N 1.48 2.96 -0.15 4.34 2.01 0.68 -0.11 115.64 126.85 2qxl s THR 210 Ca -0.05 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.23 2qxl s THR 210 Cb -0.18 -2.19 -0.00 0.00 0.01 0.00 0.00 72.50 70.13 2qxl s THR 210 CO -0.07 0.56 -0.16 0.00 -0.69 0.00 0.00 174.62 174.26 2qxl s SER 212 N 0.75 1.66 -0.22 0.00 0.15 0.36 -0.95 113.70 115.46 2qxl s SER 212 Ca -0.06 -0.27 -0.07 0.00 0.70 0.00 0.00 55.95 56.25 2qxl s SER 212 Cb -0.15 -0.76 -0.03 0.00 -1.71 0.00 0.00 66.02 63.36 2qxl s SER 212 CO 0.01 0.01 0.06 -0.63 1.20 0.00 0.00 173.24 173.88 2qxl s ILE 213 N 0.79 4.42 0.07 6.45 -1.09 0.28 0.45 121.20 132.57 2qxl s ILE 213 Ca -0.12 -0.15 0.07 0.00 -2.23 0.00 0.00 60.65 58.22 2qxl s ILE 213 Cb -0.15 -3.04 -0.03 0.00 -1.58 0.00 0.00 42.46 37.66 2qxl s ILE 213 CO 0.02 0.38 -0.19 -0.04 -1.23 0.00 0.00 174.94 173.88 2qxl s MET 214 N 1.20 1.16 -0.19 2.79 -1.94 0.21 -0.22 119.30 122.31 2qxl s MET 214 Ca 0.04 -0.99 -0.07 0.00 -1.71 0.00 0.00 55.69 52.97 2qxl s MET 214 Cb -0.14 -1.30 -0.04 0.00 2.01 0.00 0.00 34.83 35.36 2qxl s MET 214 CO 0.03 0.32 0.05 0.00 -0.01 0.00 0.00 175.02 175.41 2qxl s ALA 215 N -0.98 3.33 -0.11 3.03 0.00 0.18 -0.91 121.76 126.31 2qxl s ALA 215 Ca 0.05 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2qxl s ALA 215 Cb -0.09 -1.89 -0.00 0.00 0.00 0.00 0.00 23.12 21.14 2qxl s ALA 215 CO 0.03 0.11 -0.22 -0.06 0.00 0.00 0.00 175.76 175.62 2qxl s PHE 216 N 0.50 2.62 0.35 0.00 0.08 0.44 -0.77 117.98 121.20 2qxl s PHE 216 Ca 0.02 -1.01 0.04 0.00 0.12 0.00 0.00 56.93 56.10 2qxl s PHE 216 Cb -0.13 -1.75 -0.07 0.00 -0.57 0.00 0.00 43.02 40.51 2qxl s PHE 216 CO 0.01 -0.41 0.05 0.15 -0.10 0.00 0.00 175.22 174.92 2qxl s LYS 217 N 0.40 1.74 0.10 0.44 1.02 -0.74 -1.40 119.74 121.30 2qxl s LYS 217 Ca -0.16 -1.98 -0.33 0.00 0.02 0.00 0.00 55.97 53.52 2qxl s LYS 217 Cb -0.17 -1.05 -0.13 0.00 -0.52 0.00 0.00 37.83 35.96 2qxl s LYS 217 CO 0.07 -0.17 1.70 1.17 -0.92 0.00 0.00 175.35 177.21 2qxl n LYS 218 N -0.77 2.31 -1.02 1.68 4.81 0.17 -1.91 118.16 123.43 2qxl n LYS 218 Ca -0.03 0.84 -0.01 0.00 -0.87 0.00 0.00 58.31 58.24 2qxl n LYS 218 Cb 0.67 -2.65 -0.00 0.00 0.02 0.00 0.00 35.03 33.06 2qxl n LYS 218 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qxl n GLY 219 N 3.82 0.42 3.50 3.14 0.00 -1.26 -4.99 105.19 109.81 2qxl n GLY 219 Ca 0.18 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 2qxl n GLY 219 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qxl s GLN 220 N -0.75 0.97 0.08 1.61 -2.07 -0.80 -1.34 119.66 117.35 2qxl s GLN 220 Ca 0.00 0.32 0.03 0.00 -1.82 0.00 0.00 55.36 53.89 2qxl s GLN 220 Cb 0.00 0.46 -0.03 0.00 -1.09 0.00 0.00 33.01 32.34 2qxl s GLN 220 CO 0.00 -0.27 -0.09 -0.48 -1.32 0.00 0.00 175.29 173.12 2qxl s LEU 221 N -0.95 2.36 -0.07 2.60 0.05 -0.37 -1.79 118.68 120.51 2qxl s LEU 221 Ca -0.10 -0.74 0.00 0.00 0.05 0.00 0.00 54.13 53.35 2qxl s LEU 221 Cb -0.01 -0.26 0.02 0.00 -2.05 0.00 0.00 46.19 43.89 2qxl s LEU 221 CO 0.08 -0.25 -0.05 -0.75 -0.55 0.00 0.00 176.35 174.83 2qxl s LYS 222 N -2.44 1.05 -0.00 1.48 2.20 0.05 -1.93 119.74 120.15 2qxl s LYS 222 Ca 0.01 -0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.18 2qxl s LYS 222 Cb -0.05 -1.10 -0.04 0.00 -1.51 0.00 0.00 37.83 35.13 2qxl s LYS 222 CO -0.00 -0.15 1.20 0.08 -0.36 0.00 0.00 175.35 176.12 2qxl s VAL 223 N 1.25 4.16 -0.17 4.02 1.01 -0.21 -0.64 120.40 129.81 2qxl s VAL 223 Ca -0.05 1.52 0.14 0.00 0.00 0.00 0.00 61.98 63.60 2qxl s VAL 223 Cb -0.14 -3.98 -0.21 0.00 0.00 0.00 0.00 36.38 32.06 2qxl s VAL 223 CO -0.02 0.05 0.04 0.18 0.00 0.00 0.00 175.10 175.36 2qxl n LEU 224 N 4.61 0.22 -3.61 3.92 4.77 0.69 -4.44 117.00 123.16 2qxl n LEU 224 Ca 0.10 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 2qxl n LEU 224 Cb 0.46 0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.83 2qxl n LEU 224 CO 0.55 0.46 0.73 -0.83 -1.33 0.00 0.00 177.39 176.98 2qxl s GLY 225 N -5.20 -0.22 -0.02 -0.72 0.00 -1.12 -3.16 107.32 96.89 2qxl s GLY 225 Ca -0.10 2.39 0.01 0.00 0.00 0.00 0.00 44.72 47.02 2qxl s GLY 225 CO 0.69 1.52 -0.05 -1.59 0.00 0.00 0.00 173.10 173.67 2qxl s THR 226 N -0.29 0.48 -0.02 0.90 2.01 -1.26 -0.55 115.64 116.91 2qxl s THR 226 Ca 0.01 -0.18 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 2qxl s THR 226 Cb -0.03 -0.45 0.00 0.00 0.01 0.00 0.00 72.50 72.03 2qxl s THR 226 CO -0.03 0.17 0.05 0.00 -0.69 0.00 0.00 174.62 174.13 2qxl s ALA 227 N 0.35 -0.12 0.07 7.40 0.00 -0.12 -4.75 121.76 124.59 2qxl s ALA 227 Ca -0.04 0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.06 2qxl s ALA 227 Cb -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 2qxl s ALA 227 CO -0.00 -0.05 -0.19 0.00 0.00 0.00 0.00 175.76 175.53 2qxl s ASP 229 N -1.51 4.75 0.00 0.00 -1.08 0.84 -4.90 116.67 114.77 2qxl s ASP 229 Ca 0.05 -1.63 0.25 0.00 -0.52 0.00 0.00 52.55 50.69 2qxl s ASP 229 Cb -0.09 -1.65 1.17 0.00 -1.46 0.00 0.00 42.92 40.89 2qxl s ASP 229 CO 0.03 -0.30 1.82 2.29 0.52 0.00 0.00 175.17 179.53 2qxl n LYS 230 N 4.46 0.19 -2.19 4.34 2.85 -1.26 -1.04 118.16 125.50 2qxl n LYS 230 Ca -0.08 0.06 -0.31 0.00 -1.05 0.00 0.00 58.31 56.93 2qxl n LYS 230 Cb 0.42 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.32 2qxl n LYS 230 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2qxl n HIS 231 N -1.39 3.21 -3.31 5.58 8.25 -1.25 -4.36 115.22 121.94 2qxl n HIS 231 Ca 0.09 -2.78 -0.09 0.00 -0.26 0.00 0.00 57.72 54.68 2qxl n HIS 231 Cb 0.24 -0.53 -0.06 0.00 1.12 0.00 0.00 29.99 30.76 2qxl n HIS 231 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2qxl s PHE 232 N -3.73 -0.98 0.22 4.41 5.99 -1.01 -5.04 117.98 117.84 2qxl s PHE 232 Ca 0.51 0.36 -0.21 0.00 0.00 0.00 0.00 56.93 57.58 2qxl s PHE 232 Cb 0.42 -0.15 0.07 0.00 0.00 0.00 0.00 43.02 43.36 2qxl s PHE 232 CO -0.23 -0.96 0.97 0.20 -0.00 0.00 0.00 175.22 175.20 2qxl s GLY 233 N 2.54 0.10 0.50 13.12 0.00 -1.25 -2.68 107.32 119.65 2qxl s GLY 233 Ca 0.10 -0.34 0.25 0.00 0.00 0.00 0.00 44.72 44.72 2qxl s GLY 233 CO -0.29 1.42 1.92 -1.33 0.00 0.00 0.00 173.10 174.82 2qxl h GLY 234 N 2.00 0.27 2.00 0.20 0.00 -0.26 -2.20 103.07 105.08 2qxl h GLY 234 Ca -0.28 -0.06 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 2qxl h GLY 234 CO 0.35 0.01 -0.37 0.07 0.00 0.00 0.00 176.54 176.60 2qxl h ARG 235 N 0.14 0.00 -0.04 4.80 0.11 -1.20 -1.54 114.38 116.65 2qxl h ARG 235 Ca 0.37 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.34 2qxl h ARG 235 Cb 1.26 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.33 2qxl h ARG 235 CO -0.05 0.37 -0.48 -0.44 0.10 0.00 0.00 179.97 179.46 2qxl h ASP 236 N 0.00 0.11 -0.10 0.08 3.32 -1.61 -0.72 116.42 117.50 2qxl h ASP 236 Ca -0.00 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 2qxl h ASP 236 Cb 0.66 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 2qxl h ASP 236 CO 0.05 0.58 -0.15 -0.26 -1.72 0.00 0.00 179.24 177.74 2qxl h PHE 237 N 0.08 0.34 -0.39 4.55 -1.00 -1.43 -2.58 116.94 116.52 2qxl h PHE 237 Ca 0.00 -0.12 0.03 0.00 2.81 0.00 0.00 57.97 60.69 2qxl h PHE 237 Cb 0.89 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 40.35 2qxl h PHE 237 CO 0.01 0.75 0.20 -0.44 -1.61 0.00 0.00 178.31 177.21 2qxl h ASP 238 N -0.17 0.30 -0.59 2.17 3.32 -1.20 -1.96 116.42 118.29 2qxl h ASP 238 Ca 0.01 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2qxl h ASP 238 Cb 0.71 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 2qxl h ASP 238 CO 0.03 0.22 0.32 0.25 -1.72 0.00 0.00 179.24 178.34 2qxl h LEU 239 N 0.41 0.75 -0.54 1.55 5.85 -1.23 -1.66 115.31 120.44 2qxl h LEU 239 Ca 0.16 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2qxl h LEU 239 Cb 0.06 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2qxl h LEU 239 CO -0.11 0.63 0.33 0.00 -0.34 0.00 0.00 178.44 178.95 2qxl h ALA 240 N 1.14 0.68 -0.40 1.25 0.00 -1.19 -0.80 119.26 119.95 2qxl h ALA 240 Ca 0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2qxl h ALA 240 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2qxl h ALA 240 CO -0.03 0.16 0.25 0.82 0.00 0.00 0.00 179.25 180.44 2qxl h ILE 241 N 0.72 1.12 -0.04 0.00 2.04 -1.20 -1.82 117.51 118.34 2qxl h ILE 241 Ca 0.19 -0.28 -0.16 0.00 1.00 0.00 0.00 64.86 65.62 2qxl h ILE 241 Cb -0.03 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2qxl h ILE 241 CO -0.04 0.12 -0.70 0.71 0.00 0.00 0.00 178.15 178.24 2qxl h THR 242 N 0.53 1.43 -0.58 -0.27 1.35 -1.04 -1.73 112.91 112.61 2qxl h THR 242 Ca 0.15 -2.23 -0.06 0.00 -0.55 0.00 0.00 66.41 63.72 2qxl h THR 242 Cb -0.01 2.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.56 2qxl h THR 242 CO -0.03 0.65 0.14 -0.33 -0.25 0.00 0.00 175.52 175.71 2qxl h GLU 243 N 0.14 0.92 -0.43 4.72 4.39 -1.11 0.13 114.58 123.34 2qxl h GLU 243 Ca -0.02 -0.22 0.07 0.00 0.34 0.00 0.00 59.36 59.53 2qxl h GLU 243 Cb 1.25 -0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.72 2qxl h GLU 243 CO 0.11 0.85 0.09 1.25 -1.16 0.00 0.00 179.01 180.15 2qxl h HIS 244 N 0.83 0.15 -0.05 4.33 -0.00 -1.09 -2.71 115.15 116.61 2qxl h HIS 244 Ca 0.18 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.44 2qxl h HIS 244 Cb 0.34 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 2qxl h HIS 244 CO 0.02 0.02 -0.60 0.74 -0.00 0.00 0.00 177.93 178.11 2qxl h PHE 245 N 0.23 0.23 -0.61 5.26 0.04 -1.14 -2.52 116.94 118.42 2qxl h PHE 245 Ca 0.21 -0.09 0.10 0.00 2.80 0.00 0.00 57.97 60.99 2qxl h PHE 245 Cb 0.25 -0.04 -0.08 0.00 2.20 0.00 0.00 35.95 38.29 2qxl h PHE 245 CO -0.20 0.73 0.21 0.00 -0.60 0.00 0.00 178.31 178.44 2qxl h ALA 246 N 1.25 0.77 0.02 2.45 0.00 -0.46 0.70 119.26 124.00 2qxl h ALA 246 Ca -0.01 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qxl h ALA 246 Cb 1.09 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2qxl h ALA 246 CO 0.09 -0.22 -0.01 -0.44 0.00 0.00 0.00 179.25 178.67 2qxl h ASP 247 N 0.37 -0.03 -0.85 0.00 3.32 -1.43 -3.06 116.42 114.75 2qxl h ASP 247 Ca 0.31 -0.42 0.13 0.00 0.02 0.00 0.00 57.03 57.06 2qxl h ASP 247 Cb 0.41 0.01 -0.09 0.00 0.22 0.00 0.00 39.33 39.88 2qxl h ASP 247 CO -0.33 0.41 0.47 -0.08 -1.72 0.00 0.00 179.24 177.99 2qxl h GLU 248 N -0.48 0.69 0.00 3.56 4.81 -1.18 -2.88 114.58 119.10 2qxl h GLU 248 Ca -0.00 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 2qxl h GLU 248 Cb 0.45 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2qxl h GLU 248 CO 0.01 0.46 -0.67 0.74 -0.73 0.00 0.00 179.01 178.82 2qxl h PHE 249 N 0.71 0.00 -0.74 0.92 0.04 -0.89 -0.30 116.94 116.69 2qxl h PHE 249 Ca 0.44 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.27 2qxl h PHE 249 Cb 0.54 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.64 2qxl h PHE 249 CO -0.07 0.67 0.43 0.87 -0.60 0.00 0.00 178.31 179.61 2qxl h LYS 250 N 0.00 0.77 0.01 1.51 1.57 -1.27 0.14 116.57 119.30 2qxl h LYS 250 Ca -0.01 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2qxl h LYS 250 Cb 1.23 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2qxl h LYS 250 CO 0.09 0.51 -0.00 1.15 -0.57 0.00 0.00 179.45 180.62 2qxl h THR 251 N 0.80 1.52 0.08 -0.16 2.02 -1.42 -2.75 112.91 113.00 2qxl h THR 251 Ca 0.32 -1.60 -0.25 0.00 0.77 0.00 0.00 66.41 65.66 2qxl h THR 251 Cb 0.17 2.60 0.02 0.00 -1.74 0.00 0.00 68.15 69.21 2qxl h THR 251 CO -0.17 0.41 -1.01 0.50 0.37 0.00 0.00 175.52 175.62 2qxl h LYS 252 N -0.70 0.54 -0.00 6.66 3.64 -1.04 -3.38 116.57 122.28 2qxl h LYS 252 Ca -0.00 -0.69 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 2qxl h LYS 252 Cb 0.68 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2qxl h LYS 252 CO 0.00 1.29 -0.12 0.66 -2.27 0.00 0.00 179.45 179.01 2qxl n TYR 253 N -3.95 0.00 -2.86 1.91 4.01 0.39 -5.01 117.16 111.66 2qxl n TYR 253 Ca -0.13 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.41 2qxl n TYR 253 Cb 0.88 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.94 2qxl n TYR 253 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2qxl n LYS 254 N -0.55 -4.01 -5.13 -0.72 2.85 -0.69 -4.99 118.16 104.93 2qxl n LYS 254 Ca 0.02 0.84 -0.29 0.00 -1.05 0.00 0.00 58.31 57.83 2qxl n LYS 254 Cb 0.09 -5.50 -0.16 0.00 -0.65 0.00 0.00 35.03 28.81 2qxl n LYS 254 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 2qxl s ILE 255 N -3.09 1.79 -0.39 0.58 -4.36 -1.20 -4.97 121.20 109.56 2qxl s ILE 255 Ca 0.23 -0.97 -0.03 0.00 -0.26 0.00 0.00 60.65 59.62 2qxl s ILE 255 Cb -0.10 -1.49 0.10 0.00 1.25 0.00 0.00 42.46 42.21 2qxl s ILE 255 CO 0.29 0.51 0.17 -0.62 0.24 0.00 0.00 174.94 175.53 2qxl s ASP 256 N -0.51 5.23 0.47 4.36 2.15 -1.26 -2.51 116.67 124.60 2qxl s ASP 256 Ca 0.08 -1.83 0.32 0.00 0.43 0.00 0.00 52.55 51.54 2qxl s ASP 256 Cb -0.09 -1.82 1.41 0.00 -0.30 0.00 0.00 42.92 42.11 2qxl s ASP 256 CO -0.01 -0.49 1.94 0.16 -0.17 0.00 0.00 175.17 176.61 2qxl h ILE 257 N 6.35 0.00 0.00 4.11 3.07 -1.89 -2.51 117.51 126.64 2qxl h ILE 257 Ca -0.15 -0.32 -0.00 0.00 1.55 0.00 0.00 64.86 65.93 2qxl h ILE 257 Cb 1.05 1.21 -0.00 0.00 -0.27 0.00 0.00 36.82 38.82 2qxl h ILE 257 CO 0.67 0.00 -0.00 0.03 -1.05 0.00 0.00 178.15 177.80 2qxl h ARG 258 N 0.00 0.00 0.00 0.16 3.08 -1.93 -2.83 114.38 112.86 2qxl h ARG 258 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qxl h ARG 258 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2qxl h ARG 258 CO 0.00 0.00 -0.31 0.39 -1.07 0.00 0.00 179.97 178.98 2qxl n GLU 259 N -3.09 0.10 -3.73 0.04 -0.58 -0.94 -4.73 120.64 107.70 2qxl n GLU 259 Ca 0.01 0.05 -0.29 0.00 -0.42 0.00 0.00 57.16 56.51 2qxl n GLU 259 Cb 0.32 -1.58 -0.16 0.00 -0.57 0.00 0.00 31.44 29.45 2qxl n GLU 259 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2qxl s ASN 260 N -3.49 3.49 0.41 1.62 3.84 -1.07 -5.03 114.94 114.72 2qxl s ASN 260 Ca 0.11 -1.22 0.07 0.00 0.21 0.00 0.00 52.86 52.03 2qxl s ASN 260 Cb 0.16 -0.73 0.87 0.00 -0.55 0.00 0.00 41.25 41.00 2qxl s ASN 260 CO 0.64 -0.36 2.06 -0.65 -2.79 0.00 0.00 177.10 176.00 2qxl h PRO 261 N 8.17 0.53 -0.24 0.43 0.11 -1.85 -0.62 132.00 138.53 2qxl h PRO 261 Ca -0.16 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.85 2qxl h PRO 261 Cb 1.06 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2qxl h PRO 261 CO 0.41 0.35 -0.15 0.87 -0.21 0.00 0.00 178.00 179.27 2qxl h LYS 262 N 0.55 0.53 -0.73 1.05 1.57 -1.90 -1.34 116.57 116.29 2qxl h LYS 262 Ca 0.15 -0.25 0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2qxl h LYS 262 Cb -0.06 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 2qxl h LYS 262 CO -0.03 0.81 0.44 0.00 -0.57 0.00 0.00 179.45 180.10 2qxl h ALA 263 N 0.71 0.98 -0.53 3.86 0.00 -1.60 -1.12 119.26 121.56 2qxl h ALA 263 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2qxl h ALA 263 Cb 0.67 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2qxl h ALA 263 CO 0.04 0.18 0.21 -0.92 0.00 0.00 0.00 179.25 178.75 2qxl h TYR 264 N 0.83 0.81 -0.06 0.00 3.20 -1.00 -2.81 116.97 117.94 2qxl h TYR 264 Ca 0.31 -0.06 -0.11 0.00 3.14 0.00 0.00 58.73 62.01 2qxl h TYR 264 Cb 0.12 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2qxl h TYR 264 CO -0.05 0.67 -0.46 -0.97 -1.64 0.00 0.00 178.16 175.71 2qxl h ASN 265 N 0.72 0.16 -0.90 -2.11 -1.24 -0.96 -0.02 115.58 111.23 2qxl h ASN 265 Ca 0.18 -0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 2qxl h ASN 265 Cb 0.21 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 39.17 2qxl h ASN 265 CO -0.01 0.60 0.56 0.03 -1.29 0.00 0.00 177.43 177.32 2qxl h ARG 266 N 0.12 1.21 0.03 6.67 3.08 -0.98 -0.77 114.38 123.75 2qxl h ARG 266 Ca 0.01 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 59.83 2qxl h ARG 266 Cb 0.86 -0.26 0.01 0.00 0.08 0.00 0.00 29.97 30.67 2qxl h ARG 266 CO 0.07 0.83 -0.52 0.82 -1.07 0.00 0.00 179.97 180.11 2qxl h ILE 267 N 1.24 1.51 -0.52 2.04 1.08 -1.23 -2.90 117.51 118.72 2qxl h ILE 267 Ca 0.33 -2.18 0.09 0.00 -0.39 0.00 0.00 64.86 62.71 2qxl h ILE 267 Cb -0.08 2.85 -0.07 0.00 -3.07 0.00 0.00 36.82 36.44 2qxl h ILE 267 CO -0.06 0.61 0.11 0.25 -0.69 0.00 0.00 178.15 178.37 2qxl h LEU 268 N -0.34 0.01 -0.62 1.44 5.85 -0.92 0.38 115.31 121.11 2qxl h LEU 268 Ca -0.07 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2qxl h LEU 268 Cb 1.29 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 2qxl h LEU 268 CO 0.10 0.03 0.39 0.74 -0.34 0.00 0.00 178.44 179.36 2qxl h THR 269 N 0.25 1.12 -0.01 1.05 2.02 -1.23 -2.78 112.91 113.33 2qxl h THR 269 Ca 0.26 -0.27 -0.14 0.00 0.77 0.00 0.00 66.41 67.03 2qxl h THR 269 Cb 0.36 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 2qxl h THR 269 CO -0.34 0.14 -0.67 0.00 0.37 0.00 0.00 175.52 175.02 2qxl h ALA 270 N 1.25 0.87 -0.75 6.16 0.00 -1.15 -3.19 119.26 122.45 2qxl h ALA 270 Ca 0.24 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2qxl h ALA 270 Cb -0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2qxl h ALA 270 CO -0.08 0.82 0.43 0.00 0.00 0.00 0.00 179.25 180.43 2qxl h ALA 271 N 1.30 1.35 -0.50 0.00 0.00 0.01 -1.84 119.26 119.57 2qxl h ALA 271 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qxl h ALA 271 Cb 1.19 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2qxl h ALA 271 CO 0.09 0.55 0.32 1.49 0.00 0.00 0.00 179.25 181.70 2qxl h GLU 272 N 1.04 0.67 -0.79 0.00 4.81 -1.50 -0.79 114.58 118.03 2qxl h GLU 272 Ca 0.27 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 2qxl h GLU 272 Cb -0.01 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 2qxl h GLU 272 CO -0.05 0.47 0.44 0.87 -0.73 0.00 0.00 179.01 180.01 2qxl h LYS 273 N 0.68 1.09 -0.27 1.92 1.57 -1.52 -2.72 116.57 117.32 2qxl h LYS 273 Ca 0.18 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 2qxl h LYS 273 Cb -0.04 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 2qxl h LYS 273 CO -0.04 0.79 -0.05 1.25 -0.57 0.00 0.00 179.45 180.83 2qxl h LEU 274 N 1.10 0.51 -0.66 2.94 5.85 -1.08 -2.44 115.31 121.53 2qxl h LEU 274 Ca 0.28 -0.36 0.14 0.00 0.84 0.00 0.00 57.88 58.78 2qxl h LEU 274 Cb 0.01 -0.14 -0.12 0.00 0.37 0.00 0.00 40.66 40.79 2qxl h LEU 274 CO -0.05 0.75 -0.06 0.50 -0.34 0.00 0.00 178.44 179.24 2qxl h LYS 275 N 0.26 0.07 -0.47 1.25 3.64 -0.99 -2.00 116.57 118.33 2qxl h LYS 275 Ca 0.07 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 2qxl h LYS 275 Cb 0.52 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2qxl h LYS 275 CO 0.02 0.04 -0.11 0.87 -2.27 0.00 0.00 179.45 178.00 2qxl h LYS 276 N 0.07 0.86 -0.87 1.90 1.57 -1.40 -2.09 116.57 116.61 2qxl h LYS 276 Ca 0.34 -0.30 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 2qxl h LYS 276 Cb 0.55 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 2qxl h LYS 276 CO -0.61 0.93 0.57 0.28 -0.57 0.00 0.00 179.45 180.05 2qxl h VAL 277 N 0.78 1.05 -0.00 0.50 2.07 -0.93 -2.35 116.25 117.37 2qxl h VAL 277 Ca 0.13 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2qxl h VAL 277 Cb 0.63 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2qxl h VAL 277 CO 0.04 0.18 -0.00 0.18 0.02 0.00 0.00 177.57 177.99 2qxl n LEU 278 N -4.49 0.02 0.15 2.57 4.77 -0.80 -0.69 117.00 118.54 2qxl n LEU 278 Ca 0.13 0.12 0.04 0.00 -0.03 0.00 0.00 56.01 56.26 2qxl n LEU 278 Cb 0.21 -0.12 0.08 0.00 -2.33 0.00 0.00 43.42 41.25 2qxl n LEU 278 CO 0.33 0.00 0.52 0.28 -1.33 0.00 0.00 177.39 177.19 2qxl h SER 279 N 0.03 0.00 0.00 -1.43 0.02 -1.16 -3.39 113.55 107.63 2qxl h SER 279 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 2qxl h SER 279 Cb 0.13 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.62 2qxl h SER 279 CO 0.00 0.46 -2.20 0.00 -1.14 0.00 0.00 176.83 173.94 2qxl n ALA 280 N -2.23 1.57 -2.76 3.77 0.00 -0.87 -4.67 120.51 115.32 2qxl n ALA 280 Ca 0.02 -0.87 -0.25 0.00 0.00 0.00 0.00 53.44 52.33 2qxl n ALA 280 Cb 0.69 0.14 -0.06 0.00 0.00 0.00 0.00 19.45 20.23 2qxl n ALA 280 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qxl s ASN 281 N -6.58 5.29 0.11 0.00 0.01 0.13 -5.04 114.94 108.86 2qxl s ASN 281 Ca -0.29 -0.25 0.24 0.00 -0.71 0.00 0.00 52.86 51.85 2qxl s ASN 281 Cb 0.10 -1.30 0.36 0.00 0.41 0.00 0.00 41.25 40.82 2qxl s ASN 281 CO 0.42 0.05 1.32 0.35 -1.51 0.00 0.00 177.10 177.73 2qxl n THR 282 N -0.49 0.32 -4.20 1.60 -2.24 -1.26 -4.21 114.28 103.79 2qxl n THR 282 Ca -0.08 -0.25 -0.17 0.00 -2.27 0.00 0.00 64.05 61.28 2qxl n THR 282 Cb 0.56 -0.09 -0.12 0.00 -2.10 0.00 0.00 70.33 68.57 2qxl n THR 282 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2qxl s ASN 283 N -4.10 1.33 -0.11 3.42 0.01 -1.26 -0.12 114.94 114.11 2qxl s ASN 283 Ca 0.07 -0.49 -0.07 0.00 -0.71 0.00 0.00 52.86 51.65 2qxl s ASN 283 Cb 0.14 -0.05 0.04 0.00 0.41 0.00 0.00 41.25 41.79 2qxl s ASN 283 CO 0.72 -0.06 0.27 0.00 -1.51 0.00 0.00 177.10 176.52 2qxl s ALA 284 N -1.04 -0.64 0.39 0.60 0.00 -0.71 -4.91 121.76 115.45 2qxl s ALA 284 Ca -0.03 0.91 -0.19 0.00 0.00 0.00 0.00 51.96 52.65 2qxl s ALA 284 Cb -0.08 -0.56 -0.10 0.00 0.00 0.00 0.00 23.12 22.38 2qxl s ALA 284 CO 0.01 -0.17 0.88 -1.25 0.00 0.00 0.00 175.76 175.23 2qxl s PRO 285 N 0.71 4.17 -0.17 0.00 0.04 -1.26 -1.49 135.00 137.00 2qxl s PRO 285 Ca -0.05 0.98 0.01 0.00 0.04 0.00 0.00 61.00 61.98 2qxl s PRO 285 Cb -0.06 -2.29 0.03 0.00 0.04 0.00 0.00 34.50 32.22 2qxl s PRO 285 CO -0.04 0.05 -0.13 0.12 0.04 0.00 0.00 177.00 177.03 2qxl s PHE 286 N -2.09 2.32 -0.04 0.56 5.36 0.14 -4.89 117.98 119.34 2qxl s PHE 286 Ca 0.59 -1.41 -0.02 0.00 -0.96 0.00 0.00 56.93 55.13 2qxl s PHE 286 Cb -0.10 -1.64 0.03 0.00 -0.34 0.00 0.00 43.02 40.98 2qxl s PHE 286 CO 0.15 -0.71 0.07 0.45 -1.46 0.00 0.00 175.22 173.72 2qxl s SER 287 N 1.43 0.68 -0.05 6.13 0.15 -1.26 0.55 113.70 121.32 2qxl s SER 287 Ca 0.02 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2qxl s SER 287 Cb -0.14 -0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.16 2qxl s SER 287 CO -0.10 -0.21 -0.03 -0.69 1.20 0.00 0.00 173.24 173.41 2qxl s VAL 288 N 1.80 0.50 0.33 4.45 1.01 -0.85 -5.03 120.40 122.61 2qxl s VAL 288 Ca -0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.71 2qxl s VAL 288 Cb -0.12 -0.56 -0.10 0.00 0.00 0.00 0.00 36.38 35.61 2qxl s VAL 288 CO -0.04 0.23 0.84 -1.61 0.00 0.00 0.00 175.10 174.52 2qxl s GLU 289 N 1.17 4.26 -1.42 2.72 2.02 -1.26 -1.04 118.70 125.14 2qxl s GLU 289 Ca -0.07 1.00 -0.12 0.00 0.02 0.00 0.00 54.97 55.80 2qxl s GLU 289 Cb -0.14 -2.57 0.01 0.00 0.10 0.00 0.00 34.13 31.54 2qxl s GLU 289 CO -0.01 0.20 0.27 0.43 0.02 0.00 0.00 175.26 176.16 2qxl n SER 290 N 0.06 -0.91 0.02 -0.19 7.64 -1.23 -4.88 113.62 114.12 2qxl n SER 290 Ca 0.03 -1.26 -0.12 0.00 1.01 0.00 0.00 58.87 58.52 2qxl n SER 290 Cb 0.52 -1.78 -0.08 0.00 -1.01 0.00 0.00 64.21 61.87 2qxl n SER 290 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2qxl h VAL 291 N -2.07 1.11 -2.21 0.44 2.07 -1.54 -3.43 116.25 110.61 2qxl h VAL 291 Ca -0.68 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 2qxl h VAL 291 Cb 1.40 1.31 -0.22 0.00 -1.52 0.00 0.00 31.29 32.25 2qxl h VAL 291 CO 0.64 0.08 -0.05 -0.32 0.02 0.00 0.00 177.57 177.94 2qxl s MET 292 N -5.67 0.64 -1.19 1.57 1.75 -1.25 -4.18 119.30 110.97 2qxl s MET 292 Ca -0.14 1.03 -0.01 0.00 -1.25 0.00 0.00 55.69 55.32 2qxl s MET 292 Cb 0.05 0.16 0.01 0.00 2.84 0.00 0.00 34.83 37.89 2qxl s MET 292 CO 0.66 -0.13 0.09 0.09 -0.65 0.00 0.00 175.02 175.08 2qxl n ASN 293 N 3.86 -4.23 -1.70 1.11 3.02 -1.26 -1.08 115.26 114.97 2qxl n ASN 293 Ca -0.19 0.08 -0.18 0.00 -0.03 0.00 0.00 54.58 54.26 2qxl n ASN 293 Cb 0.57 -3.56 -0.04 0.00 -0.61 0.00 0.00 39.78 36.14 2qxl n ASN 293 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qxl n ASP 294 N -1.92 -5.19 -4.64 6.41 8.00 -1.26 -4.99 116.55 112.96 2qxl n ASP 294 Ca -0.14 0.22 -0.40 0.00 0.71 0.00 0.00 54.79 55.18 2qxl n ASP 294 Cb 0.61 -4.26 -0.07 0.00 -0.02 0.00 0.00 41.12 37.39 2qxl n ASP 294 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qxl s VAL 295 N -2.78 5.03 0.20 2.53 1.01 -0.24 -4.65 120.40 121.51 2qxl s VAL 295 Ca 0.00 1.06 -0.29 0.00 0.00 0.00 0.00 61.98 62.76 2qxl s VAL 295 Cb 0.00 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 2qxl s VAL 295 CO 0.00 0.08 0.90 -1.81 0.00 0.00 0.00 175.10 174.27 2qxl s ASP 296 N 1.38 7.56 0.10 3.32 1.01 -1.26 -1.71 116.67 127.07 2qxl s ASP 296 Ca 0.25 1.85 0.07 0.00 0.71 0.00 0.00 52.55 55.43 2qxl s ASP 296 Cb -0.16 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 2qxl s ASP 296 CO 0.09 0.15 -0.09 0.68 0.21 0.00 0.00 175.17 176.21 2qxl s VAL 297 N -1.02 3.45 -0.24 -1.27 -7.23 -0.21 -4.95 120.40 108.92 2qxl s VAL 297 Ca 0.40 -1.23 -0.03 0.00 -1.81 0.00 0.00 61.98 59.32 2qxl s VAL 297 Cb -0.25 -2.61 0.13 0.00 0.56 0.00 0.00 36.38 34.21 2qxl s VAL 297 CO 0.30 0.12 0.38 -0.55 -0.31 0.00 0.00 175.10 175.04 2qxl s SER 298 N -2.20 0.23 0.00 4.85 0.15 -1.26 -2.00 113.70 113.47 2qxl s SER 298 Ca 0.22 0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.10 2qxl s SER 298 Cb -0.11 1.12 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 2qxl s SER 298 CO 0.14 -0.30 0.00 -0.24 1.20 0.00 0.00 173.24 174.04 2qxl n SER 299 N 5.36 0.00 -3.59 5.45 2.88 0.19 -5.00 113.62 118.91 2qxl n SER 299 Ca -0.04 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.40 2qxl n SER 299 Cb 0.50 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.94 2qxl n SER 299 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qxl s GLN 300 N 1.08 1.48 -0.09 -1.46 0.00 -1.26 0.28 119.66 119.68 2qxl s GLN 300 Ca 0.00 -0.67 -0.10 0.00 -0.00 0.00 0.00 55.36 54.59 2qxl s GLN 300 Cb 0.00 0.60 0.03 0.00 0.00 0.00 0.00 33.01 33.63 2qxl s GLN 300 CO 0.00 -0.66 0.28 -1.17 0.00 0.00 0.00 175.29 173.74 2qxl s LEU 301 N -2.82 0.95 0.25 2.60 2.96 -0.56 -4.88 118.68 117.19 2qxl s LEU 301 Ca 0.05 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.45 2qxl s LEU 301 Cb -0.03 0.98 -0.04 0.00 0.50 0.00 0.00 46.19 47.60 2qxl s LEU 301 CO -0.05 -0.14 0.42 -0.94 -1.32 0.00 0.00 176.35 174.31 2qxl s SER 302 N -0.07 6.34 0.23 3.68 1.04 -1.26 -1.73 113.70 121.93 2qxl s SER 302 Ca -0.02 0.32 -0.06 0.00 0.48 0.00 0.00 55.95 56.66 2qxl s SER 302 Cb -0.03 -1.97 0.34 0.00 0.10 0.00 0.00 66.02 64.47 2qxl s SER 302 CO 0.01 -0.11 1.79 -0.09 0.98 0.00 0.00 173.24 175.81 2qxl h ARG 303 N 1.46 0.64 -0.50 4.02 2.43 -0.80 -0.45 114.38 121.18 2qxl h ARG 303 Ca -0.49 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 58.65 2qxl h ARG 303 Cb 1.21 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 2qxl h ARG 303 CO 0.64 0.42 0.31 1.49 -1.51 0.00 0.00 179.97 181.32 2qxl h GLU 304 N 0.66 0.60 -0.81 0.20 4.81 -1.95 0.14 114.58 118.23 2qxl h GLU 304 Ca 0.36 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 2qxl h GLU 304 Cb 0.35 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 2qxl h GLU 304 CO -0.26 0.40 0.45 0.93 -0.73 0.00 0.00 179.01 179.80 2qxl h GLU 305 N 0.62 1.12 -0.02 1.92 5.08 -1.83 -2.00 114.58 119.47 2qxl h GLU 305 Ca 0.19 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2qxl h GLU 305 Cb -0.01 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 2qxl h GLU 305 CO -0.07 0.81 0.01 1.25 -1.00 0.00 0.00 179.01 180.00 2qxl h LEU 306 N 1.12 0.03 -1.03 1.33 5.85 -0.55 -1.92 115.31 120.15 2qxl h LEU 306 Ca 0.29 -0.22 0.18 0.00 0.84 0.00 0.00 57.88 58.96 2qxl h LEU 306 Cb 0.02 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 40.94 2qxl h LEU 306 CO -0.05 0.25 0.62 -0.33 -0.34 0.00 0.00 178.44 178.59 2qxl h GLU 307 N -0.18 0.78 -0.61 1.25 5.08 -0.87 -1.77 114.58 118.26 2qxl h GLU 307 Ca 0.01 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2qxl h GLU 307 Cb 0.23 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2qxl h GLU 307 CO 0.00 0.51 0.17 1.49 -1.00 0.00 0.00 179.01 180.18 2qxl h GLU 308 N 0.80 0.97 0.00 2.33 4.57 -1.19 -2.76 114.58 119.29 2qxl h GLU 308 Ca 0.56 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.51 2qxl h GLU 308 Cb 0.83 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.28 2qxl h GLU 308 CO -0.35 0.87 -0.03 -0.07 -1.18 0.00 0.00 179.01 178.25 2qxl h LEU 309 N 0.88 0.00 -2.96 1.64 3.38 -0.51 -2.73 115.31 115.01 2qxl h LEU 309 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2qxl h LEU 309 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2qxl h LEU 309 CO -0.00 0.03 0.00 1.33 0.09 0.00 0.00 178.44 179.89 2qxl n VAL 310 N -4.26 1.32 -0.23 1.22 0.24 -1.02 -4.74 118.33 110.86 2qxl n VAL 310 Ca -0.03 -1.16 -0.05 0.00 -2.04 0.00 0.00 64.34 61.06 2qxl n VAL 310 Cb 0.12 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 2qxl n VAL 310 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2qxl h LYS 311 N 2.80 -0.14 -0.55 7.34 3.64 -1.19 0.55 116.57 129.03 2qxl h LYS 311 Ca 0.00 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.52 2qxl h LYS 311 Cb 1.01 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 2qxl h LYS 311 CO 0.07 -0.10 0.38 -1.35 -2.27 0.00 0.00 179.45 176.19 2qxl h PRO 312 N -0.15 0.14 -0.06 1.90 0.11 -1.85 -1.19 132.00 130.90 2qxl h PRO 312 Ca 0.24 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.20 2qxl h PRO 312 Cb 0.56 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.65 2qxl h PRO 312 CO -0.73 0.09 -0.50 1.25 -0.21 0.00 0.00 178.00 177.89 2qxl h LEU 313 N 0.14 0.55 -0.33 2.35 5.85 -1.32 -3.28 115.31 119.27 2qxl h LEU 313 Ca 0.26 -0.68 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2qxl h LEU 313 Cb 0.84 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2qxl h LEU 313 CO -0.04 1.15 0.00 0.18 -0.34 0.00 0.00 178.44 179.40 2qxl n LEU 314 N -4.26 0.27 0.28 2.25 4.77 -0.27 -1.97 117.00 118.08 2qxl n LEU 314 Ca -0.09 0.57 0.14 0.00 -0.03 0.00 0.00 56.01 56.60 2qxl n LEU 314 Cb 0.61 -0.54 0.81 0.00 -2.33 0.00 0.00 43.42 41.97 2qxl n LEU 314 CO 0.46 -0.42 1.04 -0.33 -1.33 0.00 0.00 177.39 176.80 2qxl h GLU 315 N 0.00 0.00 -0.51 3.23 5.08 -1.45 -2.91 114.58 118.02 2qxl h GLU 315 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qxl h GLU 315 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2qxl h GLU 315 CO 0.00 0.07 0.00 0.54 -1.00 0.00 0.00 179.01 178.62 2qxl n ARG 316 N -3.69 2.50 0.25 2.33 1.74 -0.83 -4.70 116.66 114.27 2qxl n ARG 316 Ca -0.02 -2.30 0.13 0.00 -0.77 0.00 0.00 57.85 54.88 2qxl n ARG 316 Cb 0.18 -1.52 0.63 0.00 -1.02 0.00 0.00 32.46 30.73 2qxl n ARG 316 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2qxl h VAL 317 N 4.15 0.45 -0.01 1.55 3.04 -1.65 -2.72 116.25 121.07 2qxl h VAL 317 Ca 0.00 -0.76 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 2qxl h VAL 317 Cb 0.93 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 2qxl h VAL 317 CO 0.00 0.14 -0.67 0.35 -1.01 0.00 0.00 177.57 176.38 2qxl n THR 318 N -3.42 0.00 -0.02 3.17 -2.24 -1.26 -4.63 114.28 105.87 2qxl n THR 318 Ca -0.01 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.54 2qxl n THR 318 Cb 0.32 1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 69.56 2qxl n THR 318 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2qxl h GLU 319 N 1.28 0.08 -0.66 -0.78 5.08 -1.82 -1.41 114.58 116.34 2qxl h GLU 319 Ca 0.00 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2qxl h GLU 319 Cb 0.63 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2qxl h GLU 319 CO 0.00 0.05 0.43 -1.35 -1.00 0.00 0.00 179.01 177.15 2qxl h PRO 320 N 0.08 0.84 -0.31 2.33 0.11 -1.82 -0.82 132.00 132.41 2qxl h PRO 320 Ca 0.07 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 65.96 2qxl h PRO 320 Cb 0.07 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 30.98 2qxl h PRO 320 CO -0.10 0.56 -0.48 -0.39 -0.21 0.00 0.00 178.00 177.38 2qxl h VAL 321 N 0.87 1.28 -0.41 3.15 -1.51 -1.80 -1.83 116.25 116.00 2qxl h VAL 321 Ca 0.24 -1.66 -0.01 0.00 -1.23 0.00 0.00 66.70 64.04 2qxl h VAL 321 Cb -0.07 1.55 -0.02 0.00 -2.13 0.00 0.00 31.29 30.62 2qxl h VAL 321 CO -0.06 0.54 0.21 0.74 -1.23 0.00 0.00 177.57 177.78 2qxl h THR 322 N 0.65 1.16 -0.12 7.19 2.02 -0.89 -2.00 112.91 120.92 2qxl h THR 322 Ca 0.03 -0.43 -0.15 0.00 0.77 0.00 0.00 66.41 66.63 2qxl h THR 322 Cb 1.06 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2qxl h THR 322 CO 0.11 0.17 -0.57 0.11 0.37 0.00 0.00 175.52 175.70 2qxl h LYS 323 N 0.52 0.37 -0.15 6.66 1.57 -1.18 -2.18 116.57 122.19 2qxl h LYS 323 Ca 0.14 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 2qxl h LYS 323 Cb 0.08 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2qxl h LYS 323 CO -0.02 0.84 -0.15 0.00 -0.57 0.00 0.00 179.45 179.55 2qxl h ALA 324 N 1.11 0.23 -0.95 3.86 0.00 -1.24 -1.87 119.26 120.39 2qxl h ALA 324 Ca 0.00 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.64 2qxl h ALA 324 Cb 1.09 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 2qxl h ALA 324 CO 0.10 0.12 0.61 -0.07 0.00 0.00 0.00 179.25 180.00 2qxl h LEU 325 N 0.01 0.98 -0.54 0.00 3.38 -1.40 -0.18 115.31 117.57 2qxl h LEU 325 Ca 0.02 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2qxl h LEU 325 Cb 0.69 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2qxl h LEU 325 CO 0.04 0.64 -0.22 0.00 0.09 0.00 0.00 178.44 178.98 2qxl h ALA 326 N 1.42 0.73 -0.44 1.53 0.00 -1.34 -0.55 119.26 120.62 2qxl h ALA 326 Ca 0.40 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2qxl h ALA 326 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2qxl h ALA 326 CO -0.16 0.67 0.09 0.37 0.00 0.00 0.00 179.25 180.22 2qxl h GLN 327 N 0.81 0.71 0.00 0.00 4.15 -0.98 -2.61 115.11 117.19 2qxl h GLN 327 Ca 0.11 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2qxl h GLN 327 Cb 0.79 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.39 2qxl h GLN 327 CO 0.07 0.72 0.00 0.00 -1.93 0.00 0.00 178.83 177.69 2qxl h ALA 328 N 0.96 1.00 -5.94 3.38 0.00 -0.94 -3.45 119.26 114.27 2qxl h ALA 328 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.65 2qxl h ALA 328 Cb 0.34 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.23 2qxl h ALA 328 CO 0.00 0.00 -0.75 1.63 0.00 0.00 0.00 179.25 180.13 2qxl n LYS 329 N -2.33 -6.52 -4.59 0.00 5.02 -0.35 -4.97 118.16 104.41 2qxl n LYS 329 Ca 0.01 0.75 -0.26 0.00 -2.02 0.00 0.00 58.31 56.79 2qxl n LYS 329 Cb 0.19 -5.66 -0.14 0.00 -0.02 0.00 0.00 35.03 29.40 2qxl n LYS 329 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qxl s LEU 330 N -6.93 2.20 0.58 -0.35 1.43 -0.40 -5.04 118.68 110.16 2qxl s LEU 330 Ca 0.33 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.77 2qxl s LEU 330 Cb -0.15 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 2qxl s LEU 330 CO 0.77 0.15 0.95 -0.94 0.23 0.00 0.00 176.35 177.51 2qxl s SER 331 N -1.35 6.24 0.44 2.29 1.04 -1.26 -4.44 113.70 116.66 2qxl s SER 331 Ca 0.08 1.26 0.14 0.00 0.48 0.00 0.00 55.95 57.92 2qxl s SER 331 Cb -0.09 -2.40 1.05 0.00 0.10 0.00 0.00 66.02 64.68 2qxl s SER 331 CO 0.02 -0.78 1.98 0.00 0.98 0.00 0.00 173.24 175.45 2qxl h ALA 332 N -0.14 2.04 0.00 5.32 0.00 -1.89 -2.18 119.26 122.41 2qxl h ALA 332 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2qxl h ALA 332 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2qxl h ALA 332 CO 0.62 -0.18 0.00 -0.85 0.00 0.00 0.00 179.25 178.84 2qxl n GLU 333 N -4.47 0.15 0.00 0.00 0.28 -1.26 -2.76 120.64 112.59 2qxl n GLU 333 Ca 0.10 0.24 0.14 0.00 -0.16 0.00 0.00 57.16 57.48 2qxl n GLU 333 Cb 0.38 -1.72 0.61 0.00 1.43 0.00 0.00 31.44 32.14 2qxl n GLU 333 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2qxl n GLU 334 N -2.00 0.18 -3.14 3.44 1.02 -0.82 -4.78 120.64 114.54 2qxl n GLU 334 Ca 0.05 -0.03 -0.39 0.00 -0.02 0.00 0.00 57.16 56.77 2qxl n GLU 334 Cb 0.32 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.18 2qxl n GLU 334 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2qxl s VAL 335 N -2.84 4.75 -0.07 2.62 -7.23 -1.11 -4.76 120.40 111.75 2qxl s VAL 335 Ca 0.19 1.39 -0.10 0.00 -1.81 0.00 0.00 61.98 61.64 2qxl s VAL 335 Cb 0.19 -3.99 -0.29 0.00 0.56 0.00 0.00 36.38 32.85 2qxl s VAL 335 CO 0.53 0.46 0.58 0.44 -0.31 0.00 0.00 175.10 176.80 2qxl h ASP 336 N 5.17 0.55 -4.63 4.85 3.32 -0.63 -3.48 116.42 121.57 2qxl h ASP 336 Ca -0.46 -0.94 -0.23 0.00 0.02 0.00 0.00 57.03 55.42 2qxl h ASP 336 Cb 1.21 -0.18 -0.23 0.00 0.22 0.00 0.00 39.33 40.35 2qxl h ASP 336 CO 0.68 1.80 -0.72 -0.36 -1.72 0.00 0.00 179.24 178.91 2qxl s PHE 337 N -2.56 0.40 -0.21 4.55 0.08 -1.01 -5.04 117.98 114.19 2qxl s PHE 337 Ca -0.18 -0.41 -0.01 0.00 0.12 0.00 0.00 56.93 56.46 2qxl s PHE 337 Cb 0.06 -0.25 0.02 0.00 -0.57 0.00 0.00 43.02 42.27 2qxl s PHE 337 CO 0.83 -0.11 -0.13 0.08 -0.10 0.00 0.00 175.22 175.79 2qxl s VAL 338 N -1.11 2.56 -0.11 -0.44 1.01 -1.26 -0.31 120.40 120.75 2qxl s VAL 338 Ca -0.10 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2qxl s VAL 338 Cb -0.08 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 2qxl s VAL 338 CO -0.00 0.42 -0.10 -1.61 0.00 0.00 0.00 175.10 173.81 2qxl s GLU 339 N 1.34 3.13 -0.04 2.72 0.41 0.71 0.03 118.70 127.01 2qxl s GLU 339 Ca 0.04 -0.62 0.03 0.00 -0.41 0.00 0.00 54.97 54.01 2qxl s GLU 339 Cb -0.14 -2.63 -0.03 0.00 -1.78 0.00 0.00 34.13 29.55 2qxl s GLU 339 CO -0.08 0.40 -0.13 0.96 -0.49 0.00 0.00 175.26 175.92 2qxl s ILE 340 N -0.12 3.19 0.23 -1.63 -4.36 -0.99 -0.89 121.20 116.63 2qxl s ILE 340 Ca 0.00 -0.74 -0.03 0.00 -0.26 0.00 0.00 60.65 59.63 2qxl s ILE 340 Cb -0.13 -2.28 -0.03 0.00 1.25 0.00 0.00 42.46 41.26 2qxl s ILE 340 CO 0.03 0.55 0.23 0.27 0.24 0.00 0.00 174.94 176.26 2qxl s ILE 341 N -0.79 0.00 0.00 8.37 -4.36 -0.03 -4.76 121.20 119.63 2qxl s ILE 341 Ca 0.13 -1.86 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 2qxl s ILE 341 Cb -0.11 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.16 2qxl s ILE 341 CO 0.02 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.81 2qxl n GLY 342 N -0.34 0.35 0.29 6.27 0.00 -0.62 -2.88 105.19 108.27 2qxl n GLY 342 Ca 0.02 -1.50 0.04 0.00 0.00 0.00 0.00 46.02 44.58 2qxl n GLY 342 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qxl h GLY 343 N 0.00 0.45 1.72 -0.02 0.00 -1.79 -2.98 103.07 100.46 2qxl h GLY 343 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2qxl h GLY 343 CO 0.00 0.18 -0.19 2.41 0.00 0.00 0.00 176.54 178.93 2qxl n THR 344 N -4.46 0.42 0.53 4.70 -1.04 -0.74 -2.60 114.28 111.08 2qxl n THR 344 Ca 0.02 -0.23 0.05 0.00 -2.04 0.00 0.00 64.05 61.85 2qxl n THR 344 Cb 0.09 -0.41 0.26 0.00 -1.82 0.00 0.00 70.33 68.45 2qxl n THR 344 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2qxl n THR 345 N -2.08 0.43 0.82 12.58 -2.24 -1.13 -1.84 114.28 120.82 2qxl n THR 345 Ca 0.05 0.11 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 2qxl n THR 345 Cb 0.42 -0.95 0.52 0.00 -2.10 0.00 0.00 70.33 68.21 2qxl n THR 345 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2qxl n ARG 346 N -1.16 0.02 -2.67 -0.78 1.74 -1.07 -4.63 116.66 108.12 2qxl n ARG 346 Ca 0.06 0.10 -0.43 0.00 -0.77 0.00 0.00 57.85 56.81 2qxl n ARG 346 Cb 0.06 -1.53 -0.02 0.00 -1.02 0.00 0.00 32.46 29.94 2qxl n ARG 346 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qxl s ILE 347 N -3.02 4.60 0.28 0.55 1.01 -0.77 -4.85 121.20 119.01 2qxl s ILE 347 Ca 0.12 1.83 0.01 0.00 0.00 0.00 0.00 60.65 62.61 2qxl s ILE 347 Cb 0.16 -4.35 0.30 0.00 0.01 0.00 0.00 42.46 38.58 2qxl s ILE 347 CO 0.46 -0.33 1.65 -0.65 0.00 0.00 0.00 174.94 176.07 2qxl h PRO 348 N 7.81 0.21 -0.36 2.79 0.11 -1.87 -1.23 132.00 139.46 2qxl h PRO 348 Ca -0.20 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.84 2qxl h PRO 348 Cb 1.06 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 2qxl h PRO 348 CO 1.00 0.14 -0.01 0.00 -0.21 0.00 0.00 178.00 178.92 2qxl h THR 349 N 0.21 1.21 -0.26 -1.15 1.03 -1.97 -2.12 112.91 109.86 2qxl h THR 349 Ca 0.53 -0.85 -0.12 0.00 -0.01 0.00 0.00 66.41 65.96 2qxl h THR 349 Cb 1.05 0.95 -0.00 0.00 -1.07 0.00 0.00 68.15 69.07 2qxl h THR 349 CO -0.64 0.29 -0.32 -0.07 -0.01 0.00 0.00 175.52 174.77 2qxl h LEU 350 N 0.54 0.72 -0.73 0.00 3.38 -1.60 -2.18 115.31 115.44 2qxl h LEU 350 Ca 0.11 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 2qxl h LEU 350 Cb 0.37 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2qxl h LEU 350 CO 0.01 1.07 0.23 0.11 0.09 0.00 0.00 178.44 179.96 2qxl h LYS 351 N 0.39 1.14 -0.13 1.13 1.57 -1.29 -0.89 116.57 118.49 2qxl h LYS 351 Ca 0.03 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2qxl h LYS 351 Cb 0.90 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2qxl h LYS 351 CO 0.08 0.97 0.05 0.37 -0.57 0.00 0.00 179.45 180.35 2qxl h GLN 352 N 1.09 0.19 -0.30 3.15 5.75 -1.38 -1.47 115.11 122.13 2qxl h GLN 352 Ca 0.24 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.70 2qxl h GLN 352 Cb 0.30 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 2qxl h GLN 352 CO -0.01 0.27 0.16 0.77 -2.65 0.00 0.00 178.83 177.37 2qxl h SER 353 N 0.06 0.39 0.30 -0.69 0.02 -1.19 -0.22 113.55 112.21 2qxl h SER 353 Ca 0.04 -0.10 -0.15 0.00 -0.84 0.00 0.00 61.79 60.74 2qxl h SER 353 Cb 0.15 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2qxl h SER 353 CO -0.00 0.38 -0.59 0.16 -1.14 0.00 0.00 176.83 175.64 2qxl h ILE 354 N 0.37 1.37 -0.70 3.27 -0.00 -1.17 -1.87 117.51 118.79 2qxl h ILE 354 Ca 0.11 -1.94 -0.06 0.00 -0.00 0.00 0.00 64.86 62.97 2qxl h ILE 354 Cb 0.09 1.95 -0.03 0.00 -0.00 0.00 0.00 36.82 38.83 2qxl h ILE 354 CO -0.02 0.58 0.20 -1.28 -0.00 0.00 0.00 178.15 177.63 2qxl h SER 355 N 0.22 1.02 -0.59 2.16 0.87 -1.15 -2.70 113.55 113.39 2qxl h SER 355 Ca -0.00 -0.20 -0.09 0.00 -1.23 0.00 0.00 61.79 60.27 2qxl h SER 355 Cb 1.10 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 2qxl h SER 355 CO 0.10 0.96 0.02 -0.08 -0.53 0.00 0.00 176.83 177.30 2qxl h GLU 356 N 1.04 1.04 -0.09 2.24 4.57 -0.85 -1.01 114.58 121.53 2qxl h GLU 356 Ca 0.22 -0.31 -0.08 0.00 -1.18 0.00 0.00 59.36 58.01 2qxl h GLU 356 Cb 0.32 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2qxl h GLU 356 CO -0.00 1.01 -0.31 0.00 -1.18 0.00 0.00 179.01 178.52 2qxl h ALA 357 N 1.05 1.31 0.00 2.92 0.00 -1.19 -2.99 119.26 120.36 2qxl h ALA 357 Ca 0.18 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 2qxl h ALA 357 Cb 0.52 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2qxl h ALA 357 CO 0.03 0.48 -1.45 0.74 0.00 0.00 0.00 179.25 179.05 2qxl h PHE 358 N 0.15 0.00 -1.20 0.00 0.04 -1.46 -3.46 116.94 111.01 2qxl h PHE 358 Ca 0.02 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.70 2qxl h PHE 358 Cb 0.63 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.79 2qxl h PHE 358 CO 0.01 0.67 -0.13 0.41 -0.60 0.00 0.00 178.31 178.66 2qxl n GLY 359 N 1.42 0.34 3.23 -1.45 0.00 -0.42 -4.31 105.19 104.01 2qxl n GLY 359 Ca -0.11 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 2qxl n GLY 359 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qxl s LYS 360 N -4.63 0.40 0.72 1.61 1.02 -1.01 -5.03 119.74 112.82 2qxl s LYS 360 Ca 0.05 0.49 -0.16 0.00 0.02 0.00 0.00 55.97 56.37 2qxl s LYS 360 Cb -0.02 0.18 0.01 0.00 -0.52 0.00 0.00 37.83 37.48 2qxl s LYS 360 CO 0.06 -0.06 1.02 -0.35 -0.92 0.00 0.00 175.35 175.10 2qxl n PRO 361 N 2.99 0.54 -3.29 -1.68 -0.04 -1.26 -4.55 135.00 127.71 2qxl n PRO 361 Ca -0.14 0.24 -0.38 0.00 -0.04 0.00 0.00 63.50 63.18 2qxl n PRO 361 Cb 0.57 -2.27 -0.06 0.00 -0.04 0.00 0.00 33.50 31.71 2qxl n PRO 361 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qxl s LEU 362 N -3.42 4.46 0.06 1.53 1.43 -1.26 -4.48 118.68 116.99 2qxl s LEU 362 Ca 0.74 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 2qxl s LEU 362 Cb -0.34 -2.84 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 2qxl s LEU 362 CO 0.49 0.20 0.18 -0.44 0.23 0.00 0.00 176.35 177.01 2qxl s SER 363 N -0.61 6.21 -0.37 2.29 0.01 0.11 -5.02 113.70 116.32 2qxl s SER 363 Ca 0.29 0.23 0.10 0.00 1.31 0.00 0.00 55.95 57.88 2qxl s SER 363 Cb -0.18 -1.88 0.44 0.00 0.21 0.00 0.00 66.02 64.61 2qxl s SER 363 CO 0.17 0.18 1.08 0.35 0.41 0.00 0.00 173.24 175.42 2qxl n THR 364 N 0.40 1.92 -0.25 1.44 -2.24 -1.26 -2.35 114.28 111.93 2qxl n THR 364 Ca -0.06 -4.14 -0.03 0.00 -2.27 0.00 0.00 64.05 57.54 2qxl n THR 364 Cb 0.51 -0.50 0.08 0.00 -2.10 0.00 0.00 70.33 68.32 2qxl n THR 364 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2qxl h THR 365 N 2.89 1.10 -3.45 4.28 2.02 -1.95 -3.44 112.91 114.36 2qxl h THR 365 Ca 0.16 -0.30 -0.54 0.00 0.77 0.00 0.00 66.41 66.51 2qxl h THR 365 Cb 1.11 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 2qxl h THR 365 CO 0.68 0.16 -0.01 -0.76 0.37 0.00 0.00 175.52 175.96 2qxl s LEU 366 N -10.18 4.29 0.06 2.58 1.43 -1.26 -5.01 118.68 110.58 2qxl s LEU 366 Ca -0.13 1.18 -0.30 0.00 -1.03 0.00 0.00 54.13 53.85 2qxl s LEU 366 Cb 0.15 -3.50 -0.09 0.00 0.03 0.00 0.00 46.19 42.79 2qxl s LEU 366 CO 0.77 0.03 1.79 0.21 0.23 0.00 0.00 176.35 179.37 2qxl s ASN 367 N -1.83 6.52 0.45 2.29 3.84 -1.26 -4.88 114.94 120.06 2qxl s ASN 367 Ca 0.42 2.58 0.21 0.00 0.21 0.00 0.00 52.86 56.28 2qxl s ASN 367 Cb -0.14 -2.55 1.19 0.00 -0.55 0.00 0.00 41.25 39.19 2qxl s ASN 367 CO 0.20 -0.97 1.85 -0.61 -2.79 0.00 0.00 177.10 174.77 2qxl h GLN 368 N 9.19 0.29 0.00 0.43 4.15 -1.93 -2.88 115.11 124.36 2qxl h GLN 368 Ca -0.45 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 58.94 2qxl h GLN 368 Cb 1.21 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.83 2qxl h GLN 368 CO 0.94 0.19 -1.38 -0.25 -1.93 0.00 0.00 178.83 176.41 2qxl n ASP 369 N -4.47 3.19 -0.00 -0.69 8.00 -1.26 -1.58 116.55 119.74 2qxl n ASP 369 Ca 0.20 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.77 2qxl n ASP 369 Cb 0.80 1.27 -0.10 0.00 -0.02 0.00 0.00 41.12 43.08 2qxl n ASP 369 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qxl n GLU 370 N -1.84 0.94 -0.23 -1.24 1.02 -1.19 -4.70 120.64 113.41 2qxl n GLU 370 Ca -0.03 -0.09 0.01 0.00 -0.02 0.00 0.00 57.16 57.03 2qxl n GLU 370 Cb 0.27 -1.27 0.13 0.00 -0.02 0.00 0.00 31.44 30.56 2qxl n GLU 370 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qxl h ALA 371 N 1.34 0.93 0.06 0.62 0.00 -1.81 -1.22 119.26 119.18 2qxl h ALA 371 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qxl h ALA 371 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2qxl h ALA 371 CO 0.00 -0.11 -0.03 0.82 0.00 0.00 0.00 179.25 179.93 2qxl h ILE 372 N 0.52 1.13 -0.65 0.00 2.04 -1.84 -0.92 117.51 117.79 2qxl h ILE 372 Ca 0.34 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2qxl h ILE 372 Cb 0.40 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2qxl h ILE 372 CO -0.29 0.16 0.41 0.00 0.00 0.00 0.00 178.15 178.43 2qxl h ALA 373 N 0.54 0.82 -0.58 1.87 0.00 -1.81 -0.70 119.26 119.40 2qxl h ALA 373 Ca -0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2qxl h ALA 373 Cb 0.33 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2qxl h ALA 373 CO 0.01 0.27 0.13 0.87 0.00 0.00 0.00 179.25 180.54 2qxl h LYS 374 N 0.88 0.94 -0.85 0.00 1.57 -1.21 -1.14 116.57 116.76 2qxl h LYS 374 Ca 0.23 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2qxl h LYS 374 Cb -0.07 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.08 2qxl h LYS 374 CO -0.05 0.88 0.56 0.78 -0.57 0.00 0.00 179.45 181.05 2qxl h GLY 375 N 0.85 1.20 1.19 3.86 0.00 -0.87 -1.71 103.07 107.59 2qxl h GLY 375 Ca 0.18 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 2qxl h GLY 375 CO 0.00 0.41 0.17 0.00 0.00 0.00 0.00 176.54 177.13 2qxl h ALA 376 N 1.32 1.08 -0.31 3.60 0.00 -0.81 -1.20 119.26 122.94 2qxl h ALA 376 Ca 0.32 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2qxl h ALA 376 Cb -0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2qxl h ALA 376 CO -0.08 0.62 -0.30 0.00 0.00 0.00 0.00 179.25 179.49 2qxl h ALA 377 N 1.22 0.90 -0.48 0.00 0.00 -0.91 -1.04 119.26 118.95 2qxl h ALA 377 Ca 0.21 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2qxl h ALA 377 Cb 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2qxl h ALA 377 CO -0.00 0.62 -0.02 0.35 0.00 0.00 0.00 179.25 180.20 2qxl h PHE 378 N 0.55 0.94 -0.62 0.00 3.57 -1.08 -1.74 116.94 118.57 2qxl h PHE 378 Ca 0.07 -0.17 -0.07 0.00 3.53 0.00 0.00 57.97 61.33 2qxl h PHE 378 Cb 0.79 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 2qxl h PHE 378 CO 0.03 0.90 0.12 0.82 -2.23 0.00 0.00 178.31 177.96 2qxl h ILE 379 N 0.71 1.26 -0.17 1.41 2.04 -1.08 -0.89 117.51 120.78 2qxl h ILE 379 Ca 0.13 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 2qxl h ILE 379 Cb 0.54 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2qxl h ILE 379 CO 0.03 0.36 0.06 0.00 0.00 0.00 0.00 178.15 178.60 2qxl h ALA 381 N 1.83 0.61 -0.01 0.00 0.00 -0.48 -3.03 119.26 118.18 2qxl h ALA 381 Ca 0.06 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 2qxl h ALA 381 Cb 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2qxl h ALA 381 CO -0.01 0.80 -0.52 -0.84 0.00 0.00 0.00 179.25 178.69 2qxl h ILE 382 N 0.00 1.37 0.00 0.00 3.07 -1.00 -3.33 117.51 117.62 2qxl h ILE 382 Ca -0.03 -1.78 0.00 0.00 1.55 0.00 0.00 64.86 64.60 2qxl h ILE 382 Cb 1.50 1.95 0.00 0.00 -0.27 0.00 0.00 36.82 40.00 2qxl h ILE 382 CO 0.08 0.51 0.00 1.57 -1.05 0.00 0.00 178.15 179.26 2qxl n HIS 383 N -3.92 0.00 -1.74 0.16 -0.00 -1.18 -4.83 115.22 103.71 2qxl n HIS 383 Ca -0.01 0.00 -0.68 0.00 0.46 0.00 0.00 57.72 57.49 2qxl n HIS 383 Cb 0.53 -0.38 -0.10 0.00 -0.12 0.00 0.00 29.99 29.92 2qxl n HIS 383 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2qxl n SER 384 N -1.64 1.22 -1.09 0.26 7.64 -1.15 -4.83 113.62 114.03 2qxl n SER 384 Ca 0.00 1.18 -0.02 0.00 1.01 0.00 0.00 58.87 61.03 2qxl n SER 384 Cb 0.00 -0.88 0.02 0.00 -1.01 0.00 0.00 64.21 62.34 2qxl n SER 384 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2qxl n PRO 385 N 4.10 1.16 -0.09 1.43 -0.04 -1.26 -3.82 135.00 136.47 2qxl n PRO 385 Ca 0.31 -0.32 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 2qxl n PRO 385 Cb -0.06 -1.16 -0.05 0.00 -0.04 0.00 0.00 33.50 32.19 2qxl n PRO 385 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2qxl n THR 386 N 0.30 1.37 -3.34 0.52 -1.04 -1.26 -4.99 114.28 105.85 2qxl n THR 386 Ca 0.06 -0.06 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 2qxl n THR 386 Cb 0.60 -2.03 -0.06 0.00 -1.82 0.00 0.00 70.33 67.02 2qxl n THR 386 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2qxl s LEU 387 N -7.52 4.33 -0.22 -4.42 0.05 -1.25 -5.08 118.68 104.56 2qxl s LEU 387 Ca -0.28 0.87 -0.09 0.00 0.05 0.00 0.00 54.13 54.68 2qxl s LEU 387 Cb 0.08 -2.69 -0.04 0.00 -2.05 0.00 0.00 46.19 41.48 2qxl s LEU 387 CO 0.38 0.07 0.11 -0.13 -0.55 0.00 0.00 176.35 176.24 2qxl s ARG 388 N 0.22 3.95 0.35 1.48 1.81 -1.26 -4.85 118.95 120.64 2qxl s ARG 388 Ca 0.26 -0.34 0.09 0.00 -1.72 0.00 0.00 55.73 54.02 2qxl s ARG 388 Cb -0.16 -3.39 -0.07 0.00 -0.45 0.00 0.00 34.95 30.89 2qxl s ARG 388 CO 0.11 0.07 -0.08 0.08 -0.68 0.00 0.00 175.30 174.80 2qxl s VAL 389 N 0.98 2.17 0.02 3.52 1.01 -1.26 -5.11 120.40 121.73 2qxl s VAL 389 Ca 0.06 -2.17 -0.30 0.00 0.00 0.00 0.00 61.98 59.56 2qxl s VAL 389 Cb -0.14 -2.69 -0.07 0.00 0.00 0.00 0.00 36.38 33.48 2qxl s VAL 389 CO 0.03 -0.17 1.57 -0.13 0.00 0.00 0.00 175.10 176.40 2qxl s ARG 390 N -3.63 4.22 0.48 2.72 0.52 -1.26 -4.96 118.95 117.04 2qxl s ARG 390 Ca 0.33 2.18 -0.24 0.00 -0.52 0.00 0.00 55.73 57.48 2qxl s ARG 390 Cb 0.04 -3.68 -0.07 0.00 0.52 0.00 0.00 34.95 31.76 2qxl s ARG 390 CO 0.17 -0.71 1.32 -1.25 0.02 0.00 0.00 175.30 174.85 2qxl s PRO 391 N 2.90 3.56 -0.06 3.54 0.04 -1.26 -5.04 135.00 138.67 2qxl s PRO 391 Ca 0.70 2.17 -0.02 0.00 0.04 0.00 0.00 61.00 63.89 2qxl s PRO 391 Cb -0.35 -2.48 0.03 0.00 0.04 0.00 0.00 34.50 31.74 2qxl s PRO 391 CO 0.30 -0.83 0.06 0.12 0.04 0.00 0.00 177.00 176.69 2qxl s PHE 392 N -1.32 0.14 -0.03 0.56 5.36 -1.26 -4.78 117.98 116.65 2qxl s PHE 392 Ca 0.64 0.13 -0.13 0.00 -0.96 0.00 0.00 56.93 56.61 2qxl s PHE 392 Cb -0.38 -0.54 -0.05 0.00 -0.34 0.00 0.00 43.02 41.70 2qxl s PHE 392 CO 0.47 -0.25 0.36 -1.59 -1.46 0.00 0.00 175.22 172.75 2qxl s LYS 393 N 2.15 3.85 -0.07 10.12 -2.85 -0.45 -4.97 119.74 127.51 2qxl s LYS 393 Ca 0.04 0.31 -0.05 0.00 -1.00 0.00 0.00 55.97 55.28 2qxl s LYS 393 Cb -0.13 -3.22 0.03 0.00 -2.06 0.00 0.00 37.83 32.45 2qxl s LYS 393 CO -0.04 0.69 0.18 -0.59 0.10 0.00 0.00 175.35 175.68 2qxl s PHE 394 N -1.00 -0.21 -0.15 1.78 -0.12 -1.26 -1.24 117.98 115.78 2qxl s PHE 394 Ca 0.22 0.54 -0.02 0.00 -0.05 0.00 0.00 56.93 57.62 2qxl s PHE 394 Cb -0.16 0.00 -0.02 0.00 -0.63 0.00 0.00 43.02 42.22 2qxl s PHE 394 CO 0.12 -0.15 -0.08 -1.21 -0.05 0.00 0.00 175.22 173.84 2qxl s GLU 395 N 0.78 3.50 0.32 1.99 2.02 -0.81 -4.77 118.70 121.72 2qxl s GLU 395 Ca -0.06 -0.61 0.07 0.00 0.02 0.00 0.00 54.97 54.39 2qxl s GLU 395 Cb -0.07 -2.81 -0.02 0.00 0.10 0.00 0.00 34.13 31.33 2qxl s GLU 395 CO -0.04 0.16 0.39 0.34 0.02 0.00 0.00 175.26 176.12 2qxl s ASP 396 N 0.54 5.78 -0.02 -0.19 -1.08 -0.87 -1.05 116.67 119.79 2qxl s ASP 396 Ca -0.06 -0.25 -0.15 0.00 -0.52 0.00 0.00 52.55 51.57 2qxl s ASP 396 Cb -0.15 -1.24 -0.05 0.00 -1.46 0.00 0.00 42.92 40.02 2qxl s ASP 396 CO 0.03 -0.34 0.41 -0.51 0.52 0.00 0.00 175.17 175.28 2qxl s ILE 397 N -2.19 5.06 -0.60 4.11 2.07 -1.26 -1.26 121.20 127.13 2qxl s ILE 397 Ca 0.42 0.84 -0.05 0.00 -1.41 0.00 0.00 60.65 60.44 2qxl s ILE 397 Cb -0.08 -3.72 0.16 0.00 0.13 0.00 0.00 42.46 38.94 2qxl s ILE 397 CO 0.29 0.54 0.44 -2.28 -1.91 0.00 0.00 174.94 172.02 2qxl s HIS 398 N -0.79 3.48 0.20 3.50 5.65 0.51 -4.83 115.29 123.02 2qxl s HIS 398 Ca 0.24 -2.47 0.09 0.00 0.25 0.00 0.00 55.06 53.16 2qxl s HIS 398 Cb -0.16 -3.33 0.11 0.00 -1.18 0.00 0.00 32.58 28.02 2qxl s HIS 398 CO 0.12 -0.90 1.46 -1.00 -0.65 0.00 0.00 174.74 173.78 2qxl h PRO 399 N 7.46 0.01 -5.90 2.88 0.13 -1.87 0.52 132.00 135.22 2qxl h PRO 399 Ca -0.04 -0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 64.41 2qxl h PRO 399 Cb 0.99 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.02 2qxl h PRO 399 CO 0.74 0.79 -0.57 0.71 -0.23 0.00 0.00 178.00 179.44 2qxl s TYR 400 N -3.22 3.32 0.13 1.56 2.02 -1.26 -3.57 117.35 116.32 2qxl s TYR 400 Ca -0.00 0.28 -0.30 0.00 -0.37 0.00 0.00 57.07 56.68 2qxl s TYR 400 Cb 0.11 -1.81 -0.07 0.00 -0.40 0.00 0.00 41.96 39.80 2qxl s TYR 400 CO 0.79 0.57 1.16 0.45 -1.57 0.00 0.00 175.55 176.95 2qxl s SER 401 N -1.24 7.14 -0.13 2.29 0.15 -1.26 -4.22 113.70 116.44 2qxl s SER 401 Ca 0.17 2.09 0.02 0.00 0.70 0.00 0.00 55.95 58.93 2qxl s SER 401 Cb -0.12 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.61 2qxl s SER 401 CO 0.07 -0.36 -0.18 -0.69 1.20 0.00 0.00 173.24 173.28 2qxl s VAL 402 N 0.35 1.78 0.14 4.45 1.01 0.29 -1.44 120.40 126.97 2qxl s VAL 402 Ca 0.54 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.76 2qxl s VAL 402 Cb -0.30 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2qxl s VAL 402 CO 0.33 0.50 0.12 -0.44 0.00 0.00 0.00 175.10 175.60 2qxl s SER 403 N 1.02 5.52 -0.02 3.32 0.01 0.82 -1.51 113.70 122.87 2qxl s SER 403 Ca -0.04 -0.09 0.06 0.00 1.31 0.00 0.00 55.95 57.19 2qxl s SER 403 Cb -0.15 -1.46 -0.03 0.00 0.21 0.00 0.00 66.02 64.60 2qxl s SER 403 CO -0.04 0.10 -0.20 -0.31 0.41 0.00 0.00 173.24 173.21 2qxl s TYR 404 N -1.62 2.52 0.25 2.43 2.02 0.17 -0.52 117.35 122.61 2qxl s TYR 404 Ca 0.30 -0.29 0.08 0.00 -0.37 0.00 0.00 57.07 56.80 2qxl s TYR 404 Cb -0.11 -1.54 -0.05 0.00 -0.40 0.00 0.00 41.96 39.86 2qxl s TYR 404 CO 0.23 0.12 -0.12 -1.54 -1.57 0.00 0.00 175.55 172.66 2qxl s SER 405 N -0.86 2.93 0.22 2.29 1.04 0.14 -2.03 113.70 117.43 2qxl s SER 405 Ca 0.12 -1.09 -0.17 0.00 0.48 0.00 0.00 55.95 55.29 2qxl s SER 405 Cb -0.10 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.84 2qxl s SER 405 CO 0.01 -0.18 0.55 -1.66 0.98 0.00 0.00 173.24 172.93 2qxl s TRP 406 N -2.86 -0.01 0.19 5.02 -2.14 -0.69 -1.55 118.94 116.90 2qxl s TRP 406 Ca 0.27 -0.36 -0.32 0.00 2.66 0.00 0.00 56.10 58.35 2qxl s TRP 406 Cb 0.00 0.40 -0.11 0.00 -3.10 0.00 0.00 33.47 30.66 2qxl s TRP 406 CO 0.11 -0.99 1.65 -0.51 -2.66 0.00 0.00 176.95 174.55 2qxl s ASP 407 N -2.92 6.47 0.14 -2.66 1.11 -1.10 -4.68 116.67 113.03 2qxl s ASP 407 Ca 0.13 2.75 -0.31 0.00 0.18 0.00 0.00 52.55 55.31 2qxl s ASP 407 Cb -0.02 -2.60 -0.06 0.00 1.07 0.00 0.00 42.92 41.31 2qxl s ASP 407 CO 0.02 -0.91 1.55 0.07 1.18 0.00 0.00 175.17 177.09 2qxl h LYS 408 N 6.80 -0.31 0.00 8.23 -0.00 -1.91 -3.46 116.57 125.93 2qxl h LYS 408 Ca -0.43 0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.24 2qxl h LYS 408 Cb 1.20 0.07 0.00 0.00 -0.00 0.00 0.00 32.23 33.50 2qxl h LYS 408 CO 0.94 -0.21 0.00 1.04 -0.00 0.00 0.00 179.45 181.22 2qxl n GLN 409 N -5.38 0.00 0.19 0.07 6.02 -1.26 -1.93 117.38 115.09 2qxl n GLN 409 Ca -0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.10 2qxl n GLN 409 Cb 0.34 0.00 0.26 0.00 1.02 0.00 0.00 30.24 31.86 2qxl n GLN 409 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2qxl h VAL 410 N 0.00 0.00 -4.06 5.09 2.07 -1.88 -3.47 116.25 114.01 2qxl h VAL 410 Ca 0.00 -0.82 -0.52 0.00 0.82 0.00 0.00 66.70 66.18 2qxl h VAL 410 Cb 0.00 1.82 0.10 0.00 -1.52 0.00 0.00 31.29 31.69 2qxl h VAL 410 CO 0.00 0.00 0.49 -1.61 0.02 0.00 0.00 177.57 176.47 2qxl s GLU 411 N -3.19 3.29 0.01 1.57 0.41 -0.81 -4.98 118.70 115.00 2qxl s GLU 411 Ca 0.08 1.84 -0.25 0.00 -0.41 0.00 0.00 54.97 56.23 2qxl s GLU 411 Cb 0.07 -2.13 -0.17 0.00 -1.78 0.00 0.00 34.13 30.12 2qxl s GLU 411 CO 0.64 -0.95 1.28 0.38 -0.49 0.00 0.00 175.26 176.11 2qxl h ASP 412 N 1.37 -0.31 -2.04 -0.19 3.04 -1.90 -3.46 116.42 112.92 2qxl h ASP 412 Ca -0.50 -0.19 -0.50 0.00 -3.24 0.00 0.00 57.03 52.61 2qxl h ASP 412 Cb 1.28 0.08 -0.04 0.00 -1.04 0.00 0.00 39.33 39.61 2qxl h ASP 412 CO 0.57 0.04 -0.48 -1.83 -2.04 0.00 0.00 179.24 175.49 2qxl s GLU 413 N -4.75 2.87 -0.20 4.15 4.04 -1.26 -5.05 118.70 118.50 2qxl s GLU 413 Ca -0.14 -1.14 0.12 0.00 0.04 0.00 0.00 54.97 53.85 2qxl s GLU 413 Cb 0.02 -2.55 0.43 0.00 0.02 0.00 0.00 34.13 32.05 2qxl s GLU 413 CO 0.56 0.27 1.21 -0.40 -1.84 0.00 0.00 175.26 175.06 2qxl n ASP 414 N -1.28 1.99 -3.64 0.83 5.68 -1.26 -4.86 116.55 114.00 2qxl n ASP 414 Ca -0.05 -3.67 -0.06 0.00 -0.50 0.00 0.00 54.79 50.51 2qxl n ASP 414 Cb 0.59 -0.49 -0.07 0.00 -1.14 0.00 0.00 41.12 40.01 2qxl n ASP 414 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 2qxl s HIS 415 N -2.96 -0.45 -0.29 2.11 2.46 -1.26 -1.70 115.29 113.20 2qxl s HIS 415 Ca 0.39 1.02 -0.18 0.00 0.47 0.00 0.00 55.06 56.76 2qxl s HIS 415 Cb 0.38 0.36 0.16 0.00 -0.13 0.00 0.00 32.58 33.35 2qxl s HIS 415 CO -0.07 -0.22 1.09 1.41 -2.47 0.00 0.00 174.74 174.48 2qxl s MET 416 N 0.57 0.28 0.15 2.88 1.75 -0.86 -5.00 119.30 119.06 2qxl s MET 416 Ca -0.00 0.45 -0.30 0.00 -1.25 0.00 0.00 55.69 54.59 2qxl s MET 416 Cb -0.05 0.07 -0.07 0.00 2.84 0.00 0.00 34.83 37.62 2qxl s MET 416 CO -0.10 -0.05 1.18 -2.00 -0.65 0.00 0.00 175.02 173.39 2qxl s GLU 417 N 1.06 4.50 -0.01 4.11 2.12 -1.26 -0.65 118.70 128.56 2qxl s GLU 417 Ca -0.06 1.81 -0.01 0.00 0.36 0.00 0.00 54.97 57.07 2qxl s GLU 417 Cb -0.03 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 31.07 2qxl s GLU 417 CO -0.13 -0.10 -0.02 0.28 -0.54 0.00 0.00 175.26 174.75 2qxl n VAL 418 N 2.87 0.17 -3.90 3.70 0.31 -0.57 -4.91 118.33 116.00 2qxl n VAL 418 Ca 0.05 0.01 -0.34 0.00 -0.01 0.00 0.00 64.34 64.06 2qxl n VAL 418 Cb 0.45 -1.53 -0.13 0.00 -0.91 0.00 0.00 33.84 31.72 2qxl n VAL 418 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2qxl s PHE 419 N -2.03 3.67 0.88 3.52 0.08 -0.93 -5.02 117.98 118.15 2qxl s PHE 419 Ca -0.02 -2.71 -0.11 0.00 0.12 0.00 0.00 56.93 54.21 2qxl s PHE 419 Cb 0.01 -3.06 0.12 0.00 -0.57 0.00 0.00 43.02 39.52 2qxl s PHE 419 CO 0.03 -0.96 1.09 -2.14 -0.10 0.00 0.00 175.22 173.14 2qxl s PRO 420 N 1.02 1.39 0.26 0.24 0.02 -1.26 -0.55 135.00 136.12 2qxl s PRO 420 Ca 0.09 1.00 -0.30 0.00 0.02 0.00 0.00 61.00 61.81 2qxl s PRO 420 Cb -0.21 -1.81 -0.11 0.00 0.02 0.00 0.00 34.50 32.39 2qxl s PRO 420 CO -0.06 -2.20 1.57 0.00 -0.33 0.00 0.00 177.00 175.98 2qxl s ALA 421 N -2.87 3.75 -0.03 -1.55 0.00 -1.26 -2.83 121.76 116.97 2qxl s ALA 421 Ca 0.63 1.50 0.00 0.00 0.00 0.00 0.00 51.96 54.09 2qxl s ALA 421 Cb -0.19 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2qxl s ALA 421 CO 0.57 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2qxl n GLY 422 N 2.56 0.42 0.00 0.00 0.00 0.18 -4.94 105.19 103.41 2qxl n GLY 422 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2qxl n GLY 422 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qxl n SER 423 N -0.11 -0.21 -4.36 1.61 3.41 -1.13 -4.75 113.62 108.09 2qxl n SER 423 Ca -0.00 -0.88 -0.25 0.00 -0.26 0.00 0.00 58.87 57.48 2qxl n SER 423 Cb 0.10 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.93 2qxl n SER 423 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2qxl s SER 424 N -1.11 2.97 0.15 4.04 0.01 -1.26 -0.36 113.70 118.14 2qxl s SER 424 Ca 0.00 -0.81 0.09 0.00 1.31 0.00 0.00 55.95 56.54 2qxl s SER 424 Cb 0.00 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 2qxl s SER 424 CO 0.00 0.06 -0.19 0.72 0.41 0.00 0.00 173.24 174.24 2qxl s PHE 425 N -1.60 1.84 0.59 2.43 -0.12 -0.39 -4.26 117.98 116.47 2qxl s PHE 425 Ca 0.15 -0.45 -0.18 0.00 -0.05 0.00 0.00 56.93 56.40 2qxl s PHE 425 Cb -0.08 -0.94 -0.04 0.00 -0.63 0.00 0.00 43.02 41.33 2qxl s PHE 425 CO 0.07 0.30 1.12 -1.25 -0.05 0.00 0.00 175.22 175.40 2qxl s PRO 426 N -2.51 3.17 -0.08 1.99 0.04 -1.26 -2.05 135.00 134.29 2qxl s PRO 426 Ca 0.13 1.51 -0.10 0.00 0.04 0.00 0.00 61.00 62.58 2qxl s PRO 426 Cb -0.07 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.50 2qxl s PRO 426 CO 0.06 -0.98 0.26 0.45 0.04 0.00 0.00 177.00 176.83 2qxl s SER 427 N -2.11 -0.24 -0.07 6.66 0.15 0.08 -5.00 113.70 113.17 2qxl s SER 427 Ca 0.70 0.40 0.04 0.00 0.70 0.00 0.00 55.95 57.79 2qxl s SER 427 Cb -0.22 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2qxl s SER 427 CO 0.32 -0.17 -0.19 -0.89 1.20 0.00 0.00 173.24 173.52 2qxl s THR 428 N -0.20 1.60 -0.08 6.45 2.01 -1.26 -0.52 115.64 123.64 2qxl s THR 428 Ca -0.03 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.22 2qxl s THR 428 Cb -0.03 -1.40 0.01 0.00 0.01 0.00 0.00 72.50 71.09 2qxl s THR 428 CO 0.01 0.46 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.68 2qxl s LYS 429 N 0.29 2.28 -0.20 4.92 -0.14 0.41 -5.00 119.74 122.29 2qxl s LYS 429 Ca -0.11 -0.61 -0.11 0.00 -1.36 0.00 0.00 55.97 53.77 2qxl s LYS 429 Cb -0.15 -1.79 -0.05 0.00 -1.68 0.00 0.00 37.83 34.16 2qxl s LYS 429 CO 0.05 0.10 0.16 -0.51 -0.76 0.00 0.00 175.35 174.39 2qxl s LEU 430 N 0.52 4.19 0.09 3.17 1.43 -1.26 -0.86 118.68 125.96 2qxl s LEU 430 Ca -0.16 0.25 0.07 0.00 -1.03 0.00 0.00 54.13 53.26 2qxl s LEU 430 Cb -0.17 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 2qxl s LEU 430 CO 0.06 0.14 -0.19 0.27 0.23 0.00 0.00 176.35 176.86 2qxl s ILE 431 N 0.54 1.57 -0.14 -0.59 -4.36 -0.63 -5.00 121.20 112.58 2qxl s ILE 431 Ca 0.09 -1.44 -0.02 0.00 -0.26 0.00 0.00 60.65 59.03 2qxl s ILE 431 Cb -0.12 -1.43 -0.02 0.00 1.25 0.00 0.00 42.46 42.14 2qxl s ILE 431 CO 0.00 -0.06 -0.08 0.42 0.24 0.00 0.00 174.94 175.46 2qxl s THR 432 N -1.13 3.52 -0.11 8.37 -4.23 -1.26 -1.06 115.64 119.74 2qxl s THR 432 Ca 0.05 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 2qxl s THR 432 Cb -0.10 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.25 2qxl s THR 432 CO 0.03 0.52 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.78 2qxl s LEU 433 N 0.25 1.28 -0.17 4.79 1.02 -0.40 -4.98 118.68 120.47 2qxl s LEU 433 Ca -0.06 -0.31 -0.29 0.00 0.02 0.00 0.00 54.13 53.49 2qxl s LEU 433 Cb -0.15 -0.85 -0.01 0.00 0.02 0.00 0.00 46.19 45.20 2qxl s LEU 433 CO 0.04 -0.09 1.14 0.20 0.02 0.00 0.00 176.35 177.66 2qxl s ASN 434 N 1.53 7.05 0.03 2.29 0.01 -1.26 -0.43 114.94 124.15 2qxl s ASN 434 Ca 0.02 1.57 0.09 0.00 -0.71 0.00 0.00 52.86 53.82 2qxl s ASN 434 Cb -0.13 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 38.96 2qxl s ASN 434 CO -0.06 -0.67 -0.25 -0.13 -1.51 0.00 0.00 177.10 174.47 2qxl s ARG 435 N 3.07 1.84 -0.16 -0.60 1.81 0.47 -4.16 118.95 121.22 2qxl s ARG 435 Ca 0.50 -1.03 0.16 0.00 -1.72 0.00 0.00 55.73 53.64 2qxl s ARG 435 Cb -0.19 -1.93 0.51 0.00 -0.45 0.00 0.00 34.95 32.88 2qxl s ARG 435 CO 0.13 0.51 1.40 0.25 -0.68 0.00 0.00 175.30 176.91 2qxl n THR 436 N 1.99 2.15 0.00 0.02 -2.24 -1.26 -0.89 114.28 114.05 2qxl n THR 436 Ca -0.17 -1.78 0.00 0.00 -2.27 0.00 0.00 64.05 59.83 2qxl n THR 436 Cb 0.52 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 2qxl n THR 436 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qxl n GLY 437 N -0.39 1.99 3.60 3.38 0.00 -1.26 -5.04 105.19 107.46 2qxl n GLY 437 Ca 0.20 -1.25 -0.50 0.00 0.00 0.00 0.00 46.02 44.47 2qxl n GLY 437 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qxl n ASP 438 N 0.00 1.82 -4.08 1.61 8.00 -1.26 -4.95 116.55 117.68 2qxl n ASP 438 Ca 0.00 1.12 -0.10 0.00 0.71 0.00 0.00 54.79 56.52 2qxl n ASP 438 Cb 0.00 -1.24 -0.11 0.00 -0.02 0.00 0.00 41.12 39.75 2qxl n ASP 438 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2qxl s PHE 439 N 0.32 0.60 0.11 1.24 -0.12 -1.07 -4.96 117.98 114.10 2qxl s PHE 439 Ca 0.80 -0.75 -0.03 0.00 -0.05 0.00 0.00 56.93 56.90 2qxl s PHE 439 Cb -0.87 -0.38 -0.05 0.00 -0.63 0.00 0.00 43.02 41.09 2qxl s PHE 439 CO 0.47 -0.19 0.31 -1.12 -0.05 0.00 0.00 175.22 174.63 2qxl s SER 440 N -2.25 6.43 0.13 1.98 0.01 -1.26 -1.03 113.70 117.71 2qxl s SER 440 Ca -0.02 0.45 0.03 0.00 1.31 0.00 0.00 55.95 57.72 2qxl s SER 440 Cb -0.02 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 2qxl s SER 440 CO -0.04 0.10 -0.06 -0.04 0.41 0.00 0.00 173.24 173.61 2qxl s MET 441 N -2.61 0.98 -0.09 12.44 -1.94 0.14 -2.72 119.30 125.50 2qxl s MET 441 Ca 0.38 -1.43 -0.17 0.00 -1.71 0.00 0.00 55.69 52.77 2qxl s MET 441 Cb -0.12 -0.36 0.04 0.00 2.01 0.00 0.00 34.83 36.39 2qxl s MET 441 CO 0.26 -0.02 0.41 0.00 -0.01 0.00 0.00 175.02 175.66 2qxl s ALA 442 N -3.53 -1.03 -0.04 3.03 0.00 -0.60 -0.77 121.76 118.83 2qxl s ALA 442 Ca 0.16 0.88 -0.02 0.00 0.00 0.00 0.00 51.96 52.99 2qxl s ALA 442 Cb 0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2qxl s ALA 442 CO -0.01 -0.24 0.07 0.00 0.00 0.00 0.00 175.76 175.58 2qxl s ALA 443 N -0.51 3.54 0.12 0.00 0.00 0.16 0.27 121.76 125.36 2qxl s ALA 443 Ca -0.06 -0.83 -0.21 0.00 0.00 0.00 0.00 51.96 50.86 2qxl s ALA 443 Cb -0.03 -1.60 0.05 0.00 0.00 0.00 0.00 23.12 21.54 2qxl s ALA 443 CO 0.03 0.66 0.52 -1.54 0.00 0.00 0.00 175.76 175.43 2qxl s SER 444 N -1.45 -0.43 0.09 0.00 1.04 0.33 -1.26 113.70 112.01 2qxl s SER 444 Ca 0.20 -0.06 -0.31 0.00 0.48 0.00 0.00 55.95 56.25 2qxl s SER 444 Cb -0.12 0.54 -0.07 0.00 0.10 0.00 0.00 66.02 66.47 2qxl s SER 444 CO 0.10 -0.88 1.31 -0.31 0.98 0.00 0.00 173.24 174.44 2qxl s TYR 445 N -3.49 3.31 0.23 5.02 2.02 -0.74 -0.13 117.35 123.58 2qxl s TYR 445 Ca 0.00 1.10 -0.03 0.00 -0.37 0.00 0.00 57.07 57.77 2qxl s TYR 445 Cb 0.00 -3.57 0.25 0.00 -0.40 0.00 0.00 41.96 38.24 2qxl s TYR 445 CO -0.10 -1.90 1.68 1.15 -1.57 0.00 0.00 175.55 174.81 2qxl h THR 446 N 4.40 1.26 -2.91 -0.71 2.02 -1.58 -3.39 112.91 112.00 2qxl h THR 446 Ca -0.42 -1.20 -0.56 0.00 0.77 0.00 0.00 66.41 65.00 2qxl h THR 446 Cb 1.21 1.08 -0.40 0.00 -1.74 0.00 0.00 68.15 68.30 2qxl h THR 446 CO 0.84 0.41 -0.78 -0.62 0.37 0.00 0.00 175.52 175.74 2qxl s ASP 447 N -6.71 3.64 0.51 4.18 -1.08 -1.26 -5.01 116.67 110.93 2qxl s ASP 447 Ca -0.09 -1.69 0.25 0.00 -0.52 0.00 0.00 52.55 50.50 2qxl s ASP 447 Cb 0.14 -0.61 1.36 0.00 -1.46 0.00 0.00 42.92 42.35 2qxl s ASP 447 CO 0.82 -0.39 2.05 -0.29 0.52 0.00 0.00 175.17 177.88 2qxl h ILE 448 N 6.10 0.65 0.00 4.11 6.09 -1.96 -2.46 117.51 130.04 2qxl h ILE 448 Ca -0.12 -0.59 0.00 0.00 -1.37 0.00 0.00 64.86 62.79 2qxl h ILE 448 Cb 1.00 1.37 0.00 0.00 0.47 0.00 0.00 36.82 39.66 2qxl h ILE 448 CO 0.43 0.14 0.00 0.71 -3.07 0.00 0.00 178.15 176.35 2qxl h THR 449 N 0.00 0.00 -0.01 2.19 1.35 -1.97 -1.27 112.91 113.20 2qxl h THR 449 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2qxl h THR 449 Cb 0.36 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 2qxl h THR 449 CO 0.02 0.00 -0.23 0.00 -0.25 0.00 0.00 175.52 175.06 2qxl n GLN 450 N -2.62 0.84 -3.75 4.72 1.13 -0.92 -4.92 117.38 111.85 2qxl n GLN 450 Ca -0.00 -0.47 -0.20 0.00 -1.94 0.00 0.00 57.00 54.38 2qxl n GLN 450 Cb 0.15 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.00 2qxl n GLN 450 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2qxl s LEU 451 N -2.48 4.17 0.59 1.08 1.02 -0.48 -5.02 118.68 117.56 2qxl s LEU 451 Ca 0.25 -0.04 -0.18 0.00 0.02 0.00 0.00 54.13 54.18 2qxl s LEU 451 Cb 0.19 -2.81 -0.06 0.00 0.02 0.00 0.00 46.19 43.53 2qxl s LEU 451 CO 0.51 -0.23 0.82 -2.65 0.02 0.00 0.00 176.35 174.82 2qxl n PRO 452 N -1.51 0.75 -1.69 1.29 -0.02 -1.26 -4.87 135.00 127.70 2qxl n PRO 452 Ca -0.05 0.29 -0.39 0.00 -2.02 0.00 0.00 63.50 61.33 2qxl n PRO 452 Cb 0.57 -2.01 0.04 0.00 -0.02 0.00 0.00 33.50 32.08 2qxl n PRO 452 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2qxl n PRO 453 N -0.72 1.42 -1.72 0.52 -0.02 -1.26 -2.76 135.00 130.46 2qxl n PRO 453 Ca 0.13 0.52 -0.16 0.00 -2.02 0.00 0.00 63.50 61.98 2qxl n PRO 453 Cb 0.47 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 2qxl n PRO 453 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qxl n ASN 454 N -0.67 -4.82 -4.70 2.55 4.13 -1.26 -4.99 115.26 105.51 2qxl n ASN 454 Ca 0.11 0.26 -0.42 0.00 1.68 0.00 0.00 54.58 56.21 2qxl n ASN 454 Cb 0.44 -3.77 -0.03 0.00 -1.54 0.00 0.00 39.78 34.89 2qxl n ASN 454 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2qxl s THR 455 N -2.64 4.33 0.43 3.41 2.01 -1.11 -5.01 115.64 117.06 2qxl s THR 455 Ca 0.00 1.66 -0.26 0.00 0.31 0.00 0.00 61.69 63.40 2qxl s THR 455 Cb 0.00 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 68.36 2qxl s THR 455 CO 0.00 0.06 1.38 -2.84 -0.69 0.00 0.00 174.62 172.53 2qxl s PRO 456 N 1.63 3.82 0.16 4.92 0.02 -1.26 -4.94 135.00 139.35 2qxl s PRO 456 Ca 0.55 2.31 -0.06 0.00 0.02 0.00 0.00 61.00 63.83 2qxl s PRO 456 Cb -0.25 -2.71 0.02 0.00 0.02 0.00 0.00 34.50 31.58 2qxl s PRO 456 CO 0.25 -0.67 1.44 1.49 -0.33 0.00 0.00 177.00 179.18 2qxl h GLU 457 N 2.50 0.61 -6.36 5.54 4.81 -1.95 -3.44 114.58 116.30 2qxl h GLU 457 Ca -0.50 -0.43 -0.54 0.00 -0.13 0.00 0.00 59.36 57.76 2qxl h GLU 457 Cb 1.26 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 2qxl h GLU 457 CO 0.62 1.05 0.26 -1.14 -0.73 0.00 0.00 179.01 179.06 2qxl s GLN 458 N -3.89 4.56 -0.21 1.92 0.74 -1.26 -1.79 119.66 119.73 2qxl s GLN 458 Ca -0.08 1.23 -0.21 0.00 0.05 0.00 0.00 55.36 56.35 2qxl s GLN 458 Cb 0.10 -3.40 -0.18 0.00 1.10 0.00 0.00 33.01 30.63 2qxl s GLN 458 CO 0.86 0.15 0.16 -0.89 -0.55 0.00 0.00 175.29 175.02 2qxl n ILE 459 N 3.22 1.53 -3.64 -2.34 5.41 -0.39 -4.97 119.36 118.19 2qxl n ILE 459 Ca 0.01 -0.05 -0.08 0.00 1.00 0.00 0.00 62.75 63.63 2qxl n ILE 459 Cb 0.50 -2.04 -0.02 0.00 -0.71 0.00 0.00 39.64 37.38 2qxl n ILE 459 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qxl s ALA 460 N -2.38 -1.52 0.06 -1.39 0.00 -1.15 -4.59 121.76 110.79 2qxl s ALA 460 Ca -0.29 0.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.87 2qxl s ALA 460 Cb 0.07 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 2qxl s ALA 460 CO 0.58 -0.90 0.05 0.54 0.00 0.00 0.00 175.76 176.03 2qxl s ASN 461 N -2.80 0.35 0.01 0.00 4.22 -1.02 -0.66 114.94 115.04 2qxl s ASN 461 Ca 0.07 -0.85 0.01 0.00 -2.14 0.00 0.00 52.86 49.95 2qxl s ASN 461 Cb -0.03 0.24 -0.01 0.00 1.28 0.00 0.00 41.25 42.73 2qxl s ASN 461 CO -0.03 -0.62 -0.03 0.26 -2.04 0.00 0.00 177.10 174.63 2qxl s TRP 462 N -3.74 0.29 -0.04 1.54 0.51 0.05 -0.74 118.94 116.81 2qxl s TRP 462 Ca 0.05 -0.25 -0.00 0.00 -2.12 0.00 0.00 56.10 53.77 2qxl s TRP 462 Cb 0.06 -0.19 -0.03 0.00 -0.81 0.00 0.00 33.47 32.50 2qxl s TRP 462 CO -0.10 -0.07 0.01 -1.21 -0.51 0.00 0.00 176.95 175.07 2qxl s GLU 463 N -0.71 2.91 -0.16 4.98 8.01 -0.41 -0.68 118.70 132.64 2qxl s GLU 463 Ca -0.06 -0.50 0.02 0.00 0.01 0.00 0.00 54.97 54.44 2qxl s GLU 463 Cb -0.05 -2.75 0.01 0.00 -4.31 0.00 0.00 34.13 27.04 2qxl s GLU 463 CO -0.00 0.66 -0.21 0.42 0.01 0.00 0.00 175.26 176.14 2qxl s ILE 464 N -1.00 2.06 -0.29 -1.63 1.01 -0.20 -1.06 121.20 120.09 2qxl s ILE 464 Ca 0.17 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.88 2qxl s ILE 464 Cb -0.11 -1.83 0.07 0.00 0.01 0.00 0.00 42.46 40.59 2qxl s ILE 464 CO 0.07 0.55 -0.05 -0.89 0.00 0.00 0.00 174.94 174.62 2qxl s THR 465 N 1.01 2.35 0.00 2.92 2.01 -0.69 -2.59 115.64 120.65 2qxl s THR 465 Ca -0.02 -1.78 0.00 0.00 0.31 0.00 0.00 61.69 60.20 2qxl s THR 465 Cb -0.14 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 69.89 2qxl s THR 465 CO -0.07 -0.20 0.00 1.67 -0.69 0.00 0.00 174.62 175.34 2qxl n GLN 468 N 4.42 0.00 -3.96 4.92 0.00 -1.26 -2.11 117.38 119.39 2qxl n GLN 468 Ca -0.09 0.00 -0.35 0.00 -0.00 0.00 0.00 57.00 56.55 2qxl n GLN 468 Cb 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.54 2qxl n GLN 468 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.06 176.58 2qxl s LEU 469 N 0.00 3.37 0.59 1.69 0.05 -1.26 -4.81 118.68 118.31 2qxl s LEU 469 Ca 0.00 -0.17 0.29 0.00 0.05 0.00 0.00 54.13 54.30 2qxl s LEU 469 Cb 0.00 -1.87 1.43 0.00 -2.05 0.00 0.00 46.19 43.70 2qxl s LEU 469 CO 0.00 0.04 1.83 -0.65 -0.55 0.00 0.00 176.35 177.02 2qxl h PRO 470 N 7.66 0.00 -4.07 1.48 0.12 -1.95 -3.45 132.00 131.78 2qxl h PRO 470 Ca -0.37 0.00 -0.35 0.00 0.12 0.00 0.00 66.00 65.40 2qxl h PRO 470 Cb 1.18 0.00 0.06 0.00 0.12 0.00 0.00 31.00 32.36 2qxl h PRO 470 CO 0.61 0.00 -0.53 0.39 0.12 0.00 0.00 178.00 178.59 2qxl n GLU 471 N -3.71 -4.59 -1.39 1.05 4.71 -1.26 -3.67 120.64 111.78 2qxl n GLU 471 Ca 0.11 0.78 -0.14 0.00 -0.01 0.00 0.00 57.16 57.90 2qxl n GLU 471 Cb 0.80 -5.39 -0.06 0.00 -1.01 0.00 0.00 31.44 25.77 2qxl n GLU 471 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2qxl n GLY 472 N -1.47 1.32 2.41 0.62 0.00 -1.26 -4.83 105.19 101.98 2qxl n GLY 472 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 2qxl n GLY 472 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qxl n GLN 473 N -1.84 2.75 0.00 1.61 1.13 -1.24 -5.03 117.38 114.76 2qxl n GLN 473 Ca -0.14 -3.92 0.00 0.00 -1.94 0.00 0.00 57.00 51.00 2qxl n GLN 473 Cb 0.47 -1.96 0.00 0.00 0.11 0.00 0.00 30.24 28.86 2qxl n GLN 473 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2qxl n ASP 474 N -0.57 0.00 -3.78 1.08 5.75 -1.26 -4.68 116.55 113.08 2qxl n ASP 474 Ca 0.28 0.00 -0.23 0.00 -0.01 0.00 0.00 54.79 54.84 2qxl n ASP 474 Cb 0.86 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.77 2qxl n ASP 474 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2qxl s SER 475 N 0.00 1.53 -0.10 -1.12 0.01 -1.26 -4.59 113.70 108.18 2qxl s SER 475 Ca 0.00 -0.09 -0.16 0.00 1.31 0.00 0.00 55.95 57.01 2qxl s SER 475 Cb 0.00 -0.44 -0.05 0.00 0.21 0.00 0.00 66.02 65.74 2qxl s SER 475 CO 0.00 -0.18 0.40 0.54 0.41 0.00 0.00 173.24 174.41 2qxl s VAL 476 N 1.89 5.19 -0.01 3.43 0.11 -0.07 -4.74 120.40 126.19 2qxl s VAL 476 Ca 0.04 0.79 -0.30 0.00 -2.93 0.00 0.00 61.98 59.58 2qxl s VAL 476 Cb -0.12 -3.73 -0.03 0.00 -1.53 0.00 0.00 36.38 30.97 2qxl s VAL 476 CO -0.05 0.42 0.99 -2.84 -3.33 0.00 0.00 175.10 170.29 2qxl s PRO 477 N 0.10 4.54 -0.10 1.54 0.02 -1.26 -0.40 135.00 139.44 2qxl s PRO 477 Ca 0.22 1.43 0.03 0.00 0.02 0.00 0.00 61.00 62.71 2qxl s PRO 477 Cb -0.15 -3.46 -0.01 0.00 0.02 0.00 0.00 34.50 30.90 2qxl s PRO 477 CO 0.09 -0.09 -0.19 0.14 -0.33 0.00 0.00 177.00 176.62 2qxl s VAL 478 N 1.13 2.50 -0.06 3.83 -7.23 0.42 -1.66 120.40 119.33 2qxl s VAL 478 Ca 0.52 -0.88 -0.18 0.00 -1.81 0.00 0.00 61.98 59.63 2qxl s VAL 478 Cb -0.21 -1.99 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 2qxl s VAL 478 CO 0.27 0.55 0.51 -0.54 -0.31 0.00 0.00 175.10 175.58 2qxl s LYS 479 N 0.17 4.26 0.01 4.82 1.02 -0.61 -1.28 119.74 128.13 2qxl s LYS 479 Ca -0.11 0.55 0.08 0.00 0.02 0.00 0.00 55.97 56.50 2qxl s LYS 479 Cb -0.16 -3.36 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 2qxl s LYS 479 CO 0.06 0.33 -0.24 -0.51 -0.92 0.00 0.00 175.35 174.07 2qxl s LEU 480 N 0.02 2.10 -0.42 3.17 1.02 -0.23 -2.38 118.68 121.97 2qxl s LEU 480 Ca 0.27 -0.49 -0.08 0.00 0.02 0.00 0.00 54.13 53.86 2qxl s LEU 480 Cb -0.17 -1.21 0.09 0.00 0.02 0.00 0.00 46.19 44.92 2qxl s LEU 480 CO 0.13 0.27 0.24 -0.75 0.02 0.00 0.00 176.35 176.26 2qxl s LYS 481 N -0.84 2.47 -0.12 1.70 2.20 -0.26 -1.61 119.74 123.28 2qxl s LYS 481 Ca 0.10 -1.55 -0.13 0.00 -0.36 0.00 0.00 55.97 54.03 2qxl s LYS 481 Cb -0.09 -3.73 -0.05 0.00 -1.51 0.00 0.00 37.83 32.45 2qxl s LYS 481 CO 0.00 -0.99 0.29 -0.51 -0.36 0.00 0.00 175.35 173.79 2qxl s LEU 482 N 1.36 4.32 -0.03 5.43 1.43 -0.04 -0.63 118.68 130.52 2qxl s LEU 482 Ca 0.04 0.61 0.03 0.00 -1.03 0.00 0.00 54.13 53.77 2qxl s LEU 482 Cb -0.23 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.62 2qxl s LEU 482 CO 0.00 0.21 -0.10 -0.60 0.23 0.00 0.00 176.35 176.09 2qxl s ARG 483 N -0.15 1.15 -0.41 1.70 3.52 -0.85 -0.44 118.95 123.47 2qxl s ARG 483 Ca 0.18 -0.35 -0.17 0.00 -0.13 0.00 0.00 55.73 55.26 2qxl s ARG 483 Cb -0.14 -1.05 0.02 0.00 -1.56 0.00 0.00 34.95 32.22 2qxl s ARG 483 CO 0.06 0.11 0.43 0.00 -0.81 0.00 0.00 175.30 175.09 2qxl s ASP 485 N 1.80 3.65 0.64 0.00 -4.77 0.41 -0.74 116.67 117.65 2qxl s ASP 485 Ca 0.12 0.45 0.32 0.00 -3.30 0.00 0.00 52.55 50.14 2qxl s ASP 485 Cb -0.17 -0.66 1.75 0.00 -1.09 0.00 0.00 42.92 42.75 2qxl s ASP 485 CO 0.13 -2.42 1.98 -0.65 0.70 0.00 0.00 175.17 174.92 2qxl h PRO 486 N -1.41 0.00 -0.02 2.11 0.11 -1.94 0.11 132.00 130.96 2qxl h PRO 486 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qxl h PRO 486 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2qxl h PRO 486 CO 0.48 0.00 -0.07 0.43 -0.21 0.00 0.00 178.00 178.63 2qxl n SER 487 N -2.87 1.70 0.00 -2.05 7.64 -1.26 -4.78 113.62 112.01 2qxl n SER 487 Ca -0.02 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.39 2qxl n SER 487 Cb 0.29 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2qxl n SER 487 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qxl n GLY 488 N 1.25 0.50 3.87 0.23 0.00 0.38 -4.85 105.19 106.57 2qxl n GLY 488 Ca 0.16 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 2qxl n GLY 488 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qxl s LEU 489 N 0.00 4.40 -0.31 0.99 1.43 -1.26 -4.75 118.68 119.18 2qxl s LEU 489 Ca 0.00 0.64 -0.13 0.00 -1.03 0.00 0.00 54.13 53.62 2qxl s LEU 489 Cb 0.00 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 2qxl s LEU 489 CO 0.00 0.30 0.24 -1.00 0.23 0.00 0.00 176.35 176.13 2qxl s HIS 490 N -1.19 3.22 0.32 0.29 3.76 -1.26 -0.45 115.29 119.99 2qxl s HIS 490 Ca 0.24 -0.03 0.03 0.00 -0.15 0.00 0.00 55.06 55.14 2qxl s HIS 490 Cb -0.14 -2.47 -0.04 0.00 1.11 0.00 0.00 32.58 31.04 2qxl s HIS 490 CO 0.13 -0.29 0.11 0.95 -0.85 0.00 0.00 174.74 174.79 2qxl s THR 491 N 1.79 0.64 -0.27 1.30 -4.23 -0.16 -4.89 115.64 109.83 2qxl s THR 491 Ca 0.08 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 2qxl s THR 491 Cb -0.17 -2.58 0.04 0.00 1.34 0.00 0.00 72.50 71.14 2qxl s THR 491 CO 0.11 0.00 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.51 2qxl s ILE 492 N -3.49 2.83 -0.10 2.99 1.01 -1.26 -2.00 121.20 121.18 2qxl s ILE 492 Ca 0.34 -1.21 -0.26 0.00 0.00 0.00 0.00 60.65 59.52 2qxl s ILE 492 Cb 0.06 -2.52 -0.22 0.00 0.01 0.00 0.00 42.46 39.78 2qxl s ILE 492 CO 0.15 0.07 0.84 -0.33 0.00 0.00 0.00 174.94 175.67 2qxl h GLU 493 N 7.98 -0.02 -4.30 2.79 5.08 -1.23 -3.48 114.58 121.40 2qxl h GLU 493 Ca -0.27 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.74 2qxl h GLU 493 Cb 1.08 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.04 2qxl h GLU 493 CO 0.55 0.75 -0.76 -2.00 -1.00 0.00 0.00 179.01 176.54 2qxl s GLU 494 N -2.74 0.54 -0.11 2.33 2.56 -1.20 -4.99 118.70 115.09 2qxl s GLU 494 Ca -0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 54.97 54.58 2qxl s GLU 494 Cb -0.01 -0.54 0.06 0.00 2.00 0.00 0.00 34.13 35.63 2qxl s GLU 494 CO 0.62 0.08 0.23 0.00 -0.56 0.00 0.00 175.26 175.63 2qxl s ALA 495 N 0.11 -0.47 -0.13 6.30 0.00 -1.26 -1.11 121.76 125.20 2qxl s ALA 495 Ca -0.01 0.86 -0.21 0.00 0.00 0.00 0.00 51.96 52.61 2qxl s ALA 495 Cb -0.05 -0.86 0.05 0.00 0.00 0.00 0.00 23.12 22.26 2qxl s ALA 495 CO -0.00 -0.50 0.53 1.52 0.00 0.00 0.00 175.76 177.31 2qxl s TYR 496 N 2.07 -0.53 0.38 0.00 -0.85 -1.00 -0.89 117.35 116.53 2qxl s TYR 496 Ca -0.01 1.14 -0.25 0.00 -0.52 0.00 0.00 57.07 57.43 2qxl s TYR 496 Cb -0.12 0.23 -0.09 0.00 0.38 0.00 0.00 41.96 42.37 2qxl s TYR 496 CO -0.08 -0.38 1.08 0.95 -1.52 0.00 0.00 175.55 175.60 2qxl s THR 497 N -0.38 3.56 0.15 -3.49 -4.23 -0.56 -1.57 115.64 109.12 2qxl s THR 497 Ca -0.05 1.28 0.10 0.00 -1.18 0.00 0.00 61.69 61.84 2qxl s THR 497 Cb -0.03 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 2qxl s THR 497 CO 0.04 0.09 -0.21 0.27 -0.54 0.00 0.00 174.62 174.27 2qxl s ILE 498 N -1.51 2.58 0.04 2.99 -4.36 -0.66 -0.04 121.20 120.24 2qxl s ILE 498 Ca 0.55 -1.76 0.01 0.00 -0.26 0.00 0.00 60.65 59.19 2qxl s ILE 498 Cb -0.26 -2.20 -0.03 0.00 1.25 0.00 0.00 42.46 41.22 2qxl s ILE 498 CO 0.32 -0.00 -0.06 -1.83 0.24 0.00 0.00 174.94 173.61 2qxl s GLU 499 N -2.38 0.50 0.00 0.37 -1.05 -1.03 -4.43 118.70 110.69 2qxl s GLU 499 Ca 0.19 -0.82 0.28 0.00 -0.15 0.00 0.00 54.97 54.47 2qxl s GLU 499 Cb -0.09 -0.12 1.06 0.00 -0.44 0.00 0.00 34.13 34.54 2qxl s GLU 499 CO 0.10 -0.00 1.75 -0.25 0.95 0.00 0.00 175.26 177.80 2qxl n ASP 500 N 1.22 1.11 -0.40 0.83 9.92 -1.26 -3.86 116.55 124.12 2qxl n ASP 500 Ca -0.21 -1.17 0.32 0.00 -0.53 0.00 0.00 54.79 53.20 2qxl n ASP 500 Cb 0.56 0.03 0.60 0.00 -0.64 0.00 0.00 41.12 41.66 2qxl n ASP 500 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2qxl h ILE 501 N 1.61 0.20 0.00 0.53 5.03 -1.96 -3.27 117.51 119.65 2qxl h ILE 501 Ca 0.00 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.68 2qxl h ILE 501 Cb 0.44 0.02 0.00 0.00 -3.03 0.00 0.00 36.82 34.26 2qxl h ILE 501 CO 0.00 0.03 0.00 -0.62 -0.68 0.00 0.00 178.15 176.88 2qxl n GLU 502 N -4.79 0.00 0.00 2.37 4.71 -1.26 -5.13 120.64 116.54 2qxl n GLU 502 Ca 0.35 0.24 0.00 0.00 -0.01 0.00 0.00 57.16 57.74 2qxl n GLU 502 Cb 1.27 -0.84 0.00 0.00 -1.01 0.00 0.00 31.44 30.86 2qxl n GLU 502 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2qxl n LYS 526 N -1.22 0.00 -0.38 3.49 4.76 -1.24 -5.10 118.16 118.47 2qxl n LYS 526 Ca 0.00 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 2qxl n LYS 526 Cb 0.00 -0.30 0.32 0.00 -1.84 0.00 0.00 35.03 33.21 2qxl n LYS 526 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 2qxl n THR 527 N -1.03 1.04 -2.08 -0.18 5.66 -1.26 -4.33 114.28 112.09 2qxl n THR 527 Ca 0.00 -1.01 -0.43 0.00 -3.05 0.00 0.00 64.05 59.57 2qxl n THR 527 Cb 0.00 0.48 -0.03 0.00 -1.55 0.00 0.00 70.33 69.24 2qxl n THR 527 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2qxl s VAL 528 N -1.04 3.67 0.42 1.08 0.11 -1.25 -4.96 120.40 118.44 2qxl s VAL 528 Ca 0.49 0.79 -0.25 0.00 -2.93 0.00 0.00 61.98 60.08 2qxl s VAL 528 Cb 0.26 -3.60 -0.08 0.00 -1.53 0.00 0.00 36.38 31.43 2qxl s VAL 528 CO 0.33 -0.17 1.27 -0.75 -3.33 0.00 0.00 175.10 172.45 2qxl s LYS 529 N 4.35 3.90 0.00 1.54 2.36 -1.26 -2.46 119.74 128.16 2qxl s LYS 529 Ca 0.72 2.06 0.00 0.00 -2.55 0.00 0.00 55.97 56.20 2qxl s LYS 529 Cb -0.29 -2.67 0.00 0.00 -1.05 0.00 0.00 37.83 33.83 2qxl s LYS 529 CO 0.28 -0.52 0.00 0.36 1.55 0.00 0.00 175.35 177.03 2qxl n LYS 530 N -0.03 0.00 -4.28 4.03 2.85 0.95 -4.85 118.16 116.83 2qxl n LYS 530 Ca 0.05 0.01 -0.19 0.00 -1.05 0.00 0.00 58.31 57.13 2qxl n LYS 530 Cb 0.45 -0.18 -0.15 0.00 -0.65 0.00 0.00 35.03 34.49 2qxl n LYS 530 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2qxl s ASP 531 N -1.28 1.01 -0.02 -5.58 1.01 -1.22 -4.96 116.67 105.63 2qxl s ASP 531 Ca 0.00 -0.15 -0.30 0.00 0.71 0.00 0.00 52.55 52.81 2qxl s ASP 531 Cb 0.00 -0.31 -0.04 0.00 1.01 0.00 0.00 42.92 43.58 2qxl s ASP 531 CO 0.00 0.03 1.20 -1.81 0.21 0.00 0.00 175.17 174.81 2qxl s ASP 532 N 0.33 7.06 0.18 0.27 1.01 -1.26 -1.49 116.67 122.77 2qxl s ASP 532 Ca -0.05 1.88 -0.02 0.00 0.71 0.00 0.00 52.55 55.07 2qxl s ASP 532 Cb -0.09 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 2qxl s ASP 532 CO 0.00 -0.55 0.39 -0.76 0.21 0.00 0.00 175.17 174.46 2qxl s LEU 533 N 1.86 4.23 0.01 1.23 1.43 -0.06 -4.91 118.68 122.47 2qxl s LEU 533 Ca 0.57 0.48 -0.26 0.00 -1.03 0.00 0.00 54.13 53.90 2qxl s LEU 533 Cb -0.26 -3.24 -0.05 0.00 0.03 0.00 0.00 46.19 42.68 2qxl s LEU 533 CO 0.24 -0.01 0.80 -0.89 0.23 0.00 0.00 176.35 176.72 2qxl s THR 534 N -1.79 4.83 -0.19 5.49 2.01 -0.90 -4.70 115.64 120.39 2qxl s THR 534 Ca 0.40 1.68 -0.03 0.00 0.31 0.00 0.00 61.69 64.04 2qxl s THR 534 Cb -0.11 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 2qxl s THR 534 CO 0.27 0.29 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.81 2qxl s ILE 535 N 0.38 3.42 -0.29 1.82 1.01 -1.26 -1.70 121.20 124.58 2qxl s ILE 535 Ca 0.41 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 60.47 2qxl s ILE 535 Cb -0.20 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 2qxl s ILE 535 CO 0.23 0.46 0.15 -0.69 0.00 0.00 0.00 174.94 175.08 2qxl s VAL 536 N 1.04 4.77 -0.11 2.92 1.01 -0.23 -5.00 120.40 124.80 2qxl s VAL 536 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 2qxl s VAL 536 Cb -0.15 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2qxl s VAL 536 CO -0.00 0.18 0.02 0.00 0.00 0.00 0.00 175.10 175.30 2qxl s ALA 537 N 1.66 3.33 -0.30 5.51 0.00 -1.26 -1.28 121.76 129.41 2qxl s ALA 537 Ca 0.06 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.27 2qxl s ALA 537 Cb -0.16 -1.60 0.08 0.00 0.00 0.00 0.00 23.12 21.44 2qxl s ALA 537 CO 0.07 0.49 -0.02 -1.01 0.00 0.00 0.00 175.76 175.29 2qxl s HIS 538 N -0.58 3.43 0.46 0.00 3.76 0.08 -5.01 115.29 117.42 2qxl s HIS 538 Ca 0.10 -2.62 0.00 0.00 -0.15 0.00 0.00 55.06 52.39 2qxl s HIS 538 Cb -0.12 -2.41 0.00 0.00 1.11 0.00 0.00 32.58 31.17 2qxl s HIS 538 CO 0.02 -0.91 0.04 0.25 -0.85 0.00 0.00 174.74 173.29 2qxl n THR 539 N 4.37 0.00 0.42 1.30 -2.24 -1.26 -2.42 114.28 114.44 2qxl n THR 539 Ca -0.04 -2.13 0.09 0.00 -2.27 0.00 0.00 64.05 59.69 2qxl n THR 539 Cb 0.42 0.38 0.39 0.00 -2.10 0.00 0.00 70.33 69.42 2qxl n THR 539 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2qxl n PHE 540 N -1.19 0.40 -2.27 4.78 3.72 -1.26 -4.81 117.46 116.83 2qxl n PHE 540 Ca -0.17 0.16 -0.39 0.00 -0.05 0.00 0.00 57.45 57.00 2qxl n PHE 540 Cb 0.58 -0.76 -0.02 0.00 -0.94 0.00 0.00 39.48 38.34 2qxl n PHE 540 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2qxl s GLY 541 N -3.27 2.94 0.52 1.37 0.00 -1.26 -4.74 107.32 102.88 2qxl s GLY 541 Ca 0.05 1.05 -0.21 0.00 0.00 0.00 0.00 44.72 45.61 2qxl s GLY 541 CO 0.31 1.61 1.21 1.08 0.00 0.00 0.00 173.10 177.31 2qxl s LEU 542 N -2.13 3.85 0.69 0.66 1.43 -1.26 -5.04 118.68 116.88 2qxl s LEU 542 Ca 0.53 2.39 -0.11 0.00 -1.03 0.00 0.00 54.13 55.91 2qxl s LEU 542 Cb -0.34 -4.40 0.01 0.00 0.03 0.00 0.00 46.19 41.49 2qxl s LEU 542 CO 0.43 -1.27 1.07 1.51 0.23 0.00 0.00 176.35 178.33 2qxl s ASP 543 N -1.41 5.51 0.20 2.29 -4.77 -1.26 -4.85 116.67 112.39 2qxl s ASP 543 Ca 0.70 1.30 -0.10 0.00 -3.30 0.00 0.00 52.55 51.15 2qxl s ASP 543 Cb -0.31 -2.17 0.26 0.00 -1.09 0.00 0.00 42.92 39.61 2qxl s ASP 543 CO 0.35 -1.32 1.75 0.00 0.70 0.00 0.00 175.17 176.65 2qxl h ALA 544 N -0.64 0.76 -0.36 2.11 0.00 -1.99 -1.68 119.26 117.47 2qxl h ALA 544 Ca -0.45 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.58 2qxl h ALA 544 Cb 1.23 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2qxl h ALA 544 CO 0.62 -0.19 0.13 -0.22 0.00 0.00 0.00 179.25 179.59 2qxl h LYS 545 N 0.41 0.27 -0.13 0.00 3.64 -1.99 -1.42 116.57 117.34 2qxl h LYS 545 Ca 0.29 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.47 2qxl h LYS 545 Cb 0.35 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2qxl h LYS 545 CO -0.29 0.18 -0.66 -0.22 -2.27 0.00 0.00 179.45 176.19 2qxl h LYS 546 N 0.28 0.68 -0.23 1.90 1.63 -1.88 -2.70 116.57 116.25 2qxl h LYS 546 Ca 0.16 -0.56 0.05 0.00 -0.85 0.00 0.00 60.65 59.45 2qxl h LYS 546 Cb 0.13 0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.83 2qxl h LYS 546 CO -0.16 1.17 -0.06 1.25 -3.45 0.00 0.00 179.45 178.20 2qxl h LEU 547 N 0.36 -0.23 -1.43 5.20 5.85 -1.24 -2.01 115.31 121.81 2qxl h LEU 547 Ca -0.05 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2qxl h LEU 547 Cb 1.30 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 2qxl h LEU 547 CO 0.14 -0.08 -0.12 0.78 -0.34 0.00 0.00 178.44 178.82 2qxl h ASN 548 N -0.01 0.22 -0.26 1.25 2.35 -1.26 0.17 115.58 118.05 2qxl h ASN 548 Ca 0.11 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2qxl h ASN 548 Cb 0.18 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2qxl h ASN 548 CO -0.24 0.36 0.07 -0.33 -1.65 0.00 0.00 177.43 175.65 2qxl h GLU 549 N 0.22 0.40 -0.06 0.81 5.08 -1.22 -2.15 114.58 117.66 2qxl h GLU 549 Ca 0.05 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 2qxl h GLU 549 Cb 0.35 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2qxl h GLU 549 CO 0.02 0.49 -0.64 -0.07 -1.00 0.00 0.00 179.01 177.80 2qxl h LEU 550 N 0.24 0.26 0.02 1.33 3.38 -0.73 -2.19 115.31 117.62 2qxl h LEU 550 Ca 0.08 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2qxl h LEU 550 Cb 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2qxl h LEU 550 CO -0.00 0.83 -0.01 0.40 0.09 0.00 0.00 178.44 179.75 2qxl h ILE 551 N 0.16 0.99 -0.89 1.22 2.04 -0.69 -1.37 117.51 118.98 2qxl h ILE 551 Ca -0.01 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.83 2qxl h ILE 551 Cb 1.16 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 2qxl h ILE 551 CO 0.10 0.01 0.59 -0.08 0.00 0.00 0.00 178.15 178.77 2qxl h GLU 552 N -0.04 1.17 -0.24 2.37 4.81 -1.27 -0.24 114.58 121.14 2qxl h GLU 552 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2qxl h GLU 552 Cb 0.03 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 2qxl h GLU 552 CO 0.00 0.77 0.16 0.87 -0.73 0.00 0.00 179.01 180.08 2qxl h LYS 553 N 1.20 0.31 -0.86 1.92 1.57 -1.21 -1.52 116.57 117.98 2qxl h LYS 553 Ca 0.33 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 2qxl h LYS 553 Cb -0.13 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 2qxl h LYS 553 CO -0.07 0.21 0.45 1.49 -0.57 0.00 0.00 179.45 180.96 2qxl h GLU 554 N 0.32 1.22 -0.92 3.15 4.57 -0.83 -1.98 114.58 120.12 2qxl h GLU 554 Ca 0.09 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2qxl h GLU 554 Cb -0.04 -0.23 -0.05 0.00 -0.16 0.00 0.00 28.75 28.28 2qxl h GLU 554 CO -0.02 0.91 0.60 -0.91 -1.18 0.00 0.00 179.01 178.41 2qxl h ASN 555 N 1.22 1.06 -0.05 1.04 2.35 -0.86 -0.76 115.58 119.58 2qxl h ASN 555 Ca 0.30 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2qxl h ASN 555 Cb 0.06 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 2qxl h ASN 555 CO -0.04 0.77 0.02 -0.33 -1.65 0.00 0.00 177.43 176.20 2qxl h GLU 556 N 1.25 0.07 -0.71 0.81 5.08 -0.86 -1.65 114.58 118.57 2qxl h GLU 556 Ca 0.33 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 2qxl h GLU 556 Cb -0.13 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2qxl h GLU 556 CO -0.07 0.20 0.36 0.52 -1.00 0.00 0.00 179.01 179.02 2qxl h MET 557 N -0.08 1.01 -0.54 2.33 2.86 -1.24 -1.71 114.93 117.55 2qxl h MET 557 Ca 0.02 -0.14 -0.09 0.00 -2.06 0.00 0.00 59.70 57.42 2qxl h MET 557 Cb 0.16 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 2qxl h MET 557 CO -0.00 0.78 -0.03 1.25 1.06 0.00 0.00 176.91 179.97 2qxl h LEU 558 N 0.98 0.96 -0.90 1.22 5.85 -1.12 -1.22 115.31 121.10 2qxl h LEU 558 Ca 0.25 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 2qxl h LEU 558 Cb 0.09 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2qxl h LEU 558 CO -0.03 1.05 0.15 0.00 -0.34 0.00 0.00 178.44 179.26 2qxl h ALA 559 N 0.95 1.10 -0.47 1.25 0.00 -1.11 -1.10 119.26 119.88 2qxl h ALA 559 Ca 0.15 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2qxl h ALA 559 Cb 0.57 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2qxl h ALA 559 CO 0.03 0.60 0.16 0.37 0.00 0.00 0.00 179.25 180.42 2qxl h GLN 560 N 0.92 0.73 -0.26 0.00 4.15 -1.09 -0.65 115.11 118.90 2qxl h GLN 560 Ca 0.20 -0.15 0.04 0.00 0.77 0.00 0.00 58.65 59.51 2qxl h GLN 560 Cb 0.33 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 2qxl h GLN 560 CO 0.00 0.68 0.03 -0.44 -1.93 0.00 0.00 178.83 177.16 2qxl h ASP 561 N 0.63 -0.04 -0.33 -0.69 3.32 -0.98 -1.74 116.42 116.59 2qxl h ASP 561 Ca 0.15 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2qxl h ASP 561 Cb 0.24 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2qxl h ASP 561 CO -0.01 0.01 0.17 0.11 -1.72 0.00 0.00 179.24 177.80 2qxl h LYS 562 N 0.11 0.46 -0.26 3.56 1.79 -1.08 -2.09 116.57 119.06 2qxl h LYS 562 Ca 0.12 -0.06 0.02 0.00 -2.18 0.00 0.00 60.65 58.55 2qxl h LYS 562 Cb 0.14 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 2qxl h LYS 562 CO -0.18 0.41 0.11 1.25 -1.08 0.00 0.00 179.45 179.96 2qxl h LEU 563 N 0.40 0.14 -0.45 2.94 5.85 -1.01 -0.75 115.31 122.44 2qxl h LEU 563 Ca 0.11 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2qxl h LEU 563 Cb 0.09 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2qxl h LEU 563 CO -0.02 0.12 0.26 0.58 -0.34 0.00 0.00 178.44 179.04 2qxl h VAL 564 N 0.24 1.15 -0.40 1.05 2.07 -1.30 -0.04 116.25 119.03 2qxl h VAL 564 Ca 0.11 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2qxl h VAL 564 Cb 0.06 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2qxl h VAL 564 CO -0.10 0.15 0.19 0.00 0.02 0.00 0.00 177.57 177.83 2qxl h ALA 565 N 1.11 0.51 0.05 1.67 0.00 -1.18 -1.77 119.26 119.66 2qxl h ALA 565 Ca 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qxl h ALA 565 Cb 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2qxl h ALA 565 CO -0.03 0.08 -0.02 0.93 0.00 0.00 0.00 179.25 180.21 2qxl h GLU 566 N 0.50 -0.06 -0.63 0.00 5.08 -0.98 -1.76 114.58 116.73 2qxl h GLU 566 Ca 0.14 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.61 2qxl h GLU 566 Cb 0.13 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.31 2qxl h GLU 566 CO -0.02 0.01 0.20 1.15 -1.00 0.00 0.00 179.01 179.35 2qxl h THR 567 N -0.11 0.70 -0.71 1.13 2.02 -0.95 -1.26 112.91 113.73 2qxl h THR 567 Ca -0.01 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 2qxl h THR 567 Cb 0.09 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 2qxl h THR 567 CO 0.01 0.06 0.30 -0.33 0.37 0.00 0.00 175.52 175.93 2qxl h GLU 568 N 0.35 1.05 -0.54 6.66 5.08 -1.20 -1.16 114.58 124.82 2qxl h GLU 568 Ca 0.33 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2qxl h GLU 568 Cb 0.46 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2qxl h GLU 568 CO -0.36 0.86 0.35 0.22 -1.00 0.00 0.00 179.01 179.08 2qxl h ASP 569 N 1.01 0.60 0.18 1.42 3.58 -0.81 -0.18 116.42 122.22 2qxl h ASP 569 Ca 0.24 -0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.56 2qxl h ASP 569 Cb 0.19 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2qxl h ASP 569 CO -0.02 0.43 -0.44 0.03 -2.88 0.00 0.00 179.24 176.36 2qxl h ARG 570 N 0.71 0.33 -0.15 0.28 2.47 -1.00 -0.92 114.38 116.09 2qxl h ARG 570 Ca 0.20 -0.17 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 2qxl h ARG 570 Cb -0.06 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 2qxl h ARG 570 CO -0.06 0.71 -0.00 -0.22 0.56 0.00 0.00 179.97 180.96 2qxl h LYS 571 N 0.27 0.27 -0.62 0.04 3.64 -0.97 -1.99 116.57 117.22 2qxl h LYS 571 Ca 0.02 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2qxl h LYS 571 Cb 0.88 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 2qxl h LYS 571 CO 0.07 0.50 0.40 -0.97 -2.27 0.00 0.00 179.45 177.18 2qxl h ASN 572 N 0.01 0.72 -0.46 4.20 -0.73 -0.88 -0.51 115.58 117.93 2qxl h ASN 572 Ca 0.04 -0.03 0.03 0.00 1.87 0.00 0.00 56.30 58.21 2qxl h ASN 572 Cb 0.38 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.76 2qxl h ASN 572 CO 0.01 0.54 0.26 0.74 -0.37 0.00 0.00 177.43 178.60 2qxl h THR 573 N 0.83 1.02 0.23 -3.57 2.02 -1.17 0.11 112.91 112.38 2qxl h THR 573 Ca 0.22 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 2qxl h THR 573 Cb -0.07 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2qxl h THR 573 CO -0.05 0.09 -0.17 0.25 0.37 0.00 0.00 175.52 176.02 2qxl h LEU 574 N 0.52 -0.43 -0.35 2.58 5.85 -0.97 -1.59 115.31 120.91 2qxl h LEU 574 Ca 0.19 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.00 2qxl h LEU 574 Cb 0.05 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 2qxl h LEU 574 CO -0.10 -0.26 0.01 -0.33 -0.34 0.00 0.00 178.44 177.41 2qxl h GLU 575 N -0.40 0.11 -0.19 1.25 5.08 -0.81 -1.23 114.58 118.39 2qxl h GLU 575 Ca -0.01 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2qxl h GLU 575 Cb 0.35 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2qxl h GLU 575 CO -0.00 0.07 -0.17 0.93 -1.00 0.00 0.00 179.01 178.84 2qxl h GLU 576 N 0.11 0.31 -0.35 2.33 5.08 -0.76 -2.24 114.58 119.06 2qxl h GLU 576 Ca 0.17 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 2qxl h GLU 576 Cb 0.23 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2qxl h GLU 576 CO -0.28 0.48 -0.40 -0.92 -1.00 0.00 0.00 179.01 176.89 2qxl h TYR 577 N 0.29 1.07 -0.10 4.33 3.20 -0.76 -0.88 116.97 124.11 2qxl h TYR 577 Ca 0.05 -0.34 0.02 0.00 3.14 0.00 0.00 58.73 61.61 2qxl h TYR 577 Cb 0.47 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 2qxl h TYR 577 CO 0.01 1.15 -0.02 0.82 -1.64 0.00 0.00 178.16 178.48 2qxl h ILE 578 N 0.68 0.90 0.16 1.81 2.04 -0.96 -0.95 117.51 121.19 2qxl h ILE 578 Ca 0.05 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.92 2qxl h ILE 578 Cb 1.00 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 2qxl h ILE 578 CO 0.10 0.00 -0.27 0.22 0.00 0.00 0.00 178.15 178.20 2qxl h TYR 579 N 0.00 -0.72 -0.04 1.37 3.20 -1.28 -2.42 116.97 117.08 2qxl h TYR 579 Ca 0.05 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.77 2qxl h TYR 579 Cb 0.07 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2qxl h TYR 579 CO -0.15 -0.38 -0.69 1.79 -1.64 0.00 0.00 178.16 177.09 2qxl h THR 580 N -0.50 1.42 -0.30 1.81 1.35 -1.12 -2.89 112.91 112.68 2qxl h THR 580 Ca 0.02 -2.19 -0.13 0.00 -0.55 0.00 0.00 66.41 63.56 2qxl h THR 580 Cb 0.51 2.16 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 2qxl h THR 580 CO -0.13 0.64 -0.34 0.25 -0.25 0.00 0.00 175.52 175.70 2qxl h LEU 581 N 0.15 0.68 -0.49 3.87 5.85 -1.16 -1.47 115.31 122.75 2qxl h LEU 581 Ca -0.02 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 2qxl h LEU 581 Cb 1.24 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2qxl h LEU 581 CO 0.11 0.97 0.16 0.03 -0.34 0.00 0.00 178.44 179.37 2qxl h ARG 582 N 0.55 0.75 -0.42 1.25 3.08 -1.41 -2.36 114.38 115.82 2qxl h ARG 582 Ca 0.06 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2qxl h ARG 582 Cb 0.84 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2qxl h ARG 582 CO 0.07 0.69 0.23 0.78 -1.07 0.00 0.00 179.97 180.68 2qxl h GLY 583 N 0.65 0.62 1.75 0.04 0.00 -1.43 -3.19 103.07 101.51 2qxl h GLY 583 Ca 0.16 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 2qxl h GLY 583 CO -0.01 0.26 -0.18 0.50 0.00 0.00 0.00 176.54 177.12 2qxl h LYS 584 N 0.54 0.30 0.00 4.80 1.57 -1.18 -1.11 116.57 121.50 2qxl h LYS 584 Ca 0.15 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2qxl h LYS 584 Cb 0.04 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2qxl h LYS 584 CO -0.02 0.48 0.00 -0.07 -0.57 0.00 0.00 179.45 179.27 2qxl h LEU 585 N 0.28 0.00 0.00 2.94 3.38 -1.41 0.19 115.31 120.69 2qxl h LEU 585 Ca 0.05 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2qxl h LEU 585 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2qxl h LEU 585 CO 0.03 0.00 -1.50 -0.62 0.09 0.00 0.00 178.44 176.44 2qxl n GLU 586 N -2.57 0.63 0.00 1.13 -0.58 -0.46 -3.88 120.64 114.91 2qxl n GLU 586 Ca 0.00 0.12 -0.03 0.00 -0.42 0.00 0.00 57.16 56.83 2qxl n GLU 586 Cb 0.18 -1.75 -0.01 0.00 -0.57 0.00 0.00 31.44 29.29 2qxl n GLU 586 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2qxl n GLU 587 N -2.75 0.09 -0.03 3.49 1.02 -0.95 -4.84 120.64 116.68 2qxl n GLU 587 Ca -0.09 0.04 -0.02 0.00 -0.02 0.00 0.00 57.16 57.07 2qxl n GLU 587 Cb 0.77 -0.66 -0.07 0.00 -0.02 0.00 0.00 31.44 31.47 2qxl n GLU 587 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2qxl n GLU 588 N -3.44 1.98 0.00 3.49 1.02 -0.52 -4.66 120.64 118.50 2qxl n GLU 588 Ca -0.06 -0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.18 2qxl n GLU 588 Cb 0.31 -1.21 0.22 0.00 -0.02 0.00 0.00 31.44 30.74 2qxl n GLU 588 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2qxl n TYR 589 N -2.17 0.00 -0.19 -0.32 4.01 0.55 -4.52 117.16 114.51 2qxl n TYR 589 Ca -0.10 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.63 2qxl n TYR 589 Cb 0.62 -0.01 0.09 0.00 -0.31 0.00 0.00 39.34 39.74 2qxl n TYR 589 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qxl h ALA 590 N 4.39 0.75 0.00 -0.72 0.00 -1.72 -1.92 119.26 120.04 2qxl h ALA 590 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qxl h ALA 590 Cb 0.78 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2qxl h ALA 590 CO 0.00 -0.17 0.00 -1.35 0.00 0.00 0.00 179.25 177.73 2qxl h PRO 591 N 0.43 0.00 -0.61 0.00 0.11 -1.93 -3.27 132.00 126.73 2qxl h PRO 591 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 2qxl h PRO 591 Cb 0.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 2qxl h PRO 591 CO -0.27 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.71 2qxl n PHE 592 N -2.48 0.97 -3.90 0.65 3.72 -0.73 -4.88 117.46 110.80 2qxl n PHE 592 Ca 0.03 -0.54 -0.15 0.00 -0.05 0.00 0.00 57.45 56.74 2qxl n PHE 592 Cb 0.31 -0.07 -0.15 0.00 -0.94 0.00 0.00 39.48 38.63 2qxl n PHE 592 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qxl s ALA 593 N -1.26 0.17 0.95 4.37 0.00 -1.17 -4.77 121.76 120.05 2qxl s ALA 593 Ca 0.43 0.09 -0.12 0.00 0.00 0.00 0.00 51.96 52.36 2qxl s ALA 593 Cb 0.24 -0.16 0.16 0.00 0.00 0.00 0.00 23.12 23.36 2qxl s ALA 593 CO 0.26 -0.03 1.11 -1.54 0.00 0.00 0.00 175.76 175.57 2qxl s SER 594 N 0.51 3.13 0.37 0.00 1.04 -1.26 -4.78 113.70 112.71 2qxl s SER 594 Ca -0.05 1.10 0.10 0.00 0.48 0.00 0.00 55.95 57.59 2qxl s SER 594 Cb -0.07 -1.73 0.87 0.00 0.10 0.00 0.00 66.02 65.19 2qxl s SER 594 CO -0.01 -2.80 1.87 -2.24 0.98 0.00 0.00 173.24 171.04 2qxl h ASP 595 N -1.67 0.60 0.36 7.02 3.04 -2.00 -1.44 116.42 122.34 2qxl h ASP 595 Ca -0.52 0.04 -0.25 0.00 -3.24 0.00 0.00 57.03 53.05 2qxl h ASP 595 Cb 1.33 -0.08 0.01 0.00 -1.04 0.00 0.00 39.33 39.55 2qxl h ASP 595 CO 0.60 0.30 -1.08 0.00 -2.04 0.00 0.00 179.24 177.01 2qxl h ALA 596 N 1.61 0.22 -0.34 4.15 0.00 -2.00 -3.05 119.26 119.84 2qxl h ALA 596 Ca 0.44 -0.76 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 2qxl h ALA 596 Cb 0.78 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2qxl h ALA 596 CO -0.20 0.82 -0.45 0.93 0.00 0.00 0.00 179.25 180.36 2qxl h GLU 597 N 0.21 0.90 0.34 0.00 5.08 -1.83 -2.92 114.58 116.36 2qxl h GLU 597 Ca -0.12 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 57.72 2qxl h GLU 597 Cb 1.74 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.03 2qxl h GLU 597 CO 0.19 1.16 -0.17 -0.22 -1.00 0.00 0.00 179.01 178.97 2qxl h LYS 598 N 0.72 -0.45 0.00 2.33 1.63 -1.34 -2.43 116.57 117.03 2qxl h LYS 598 Ca 0.04 0.03 -0.14 0.00 -0.85 0.00 0.00 60.65 59.74 2qxl h LYS 598 Cb 1.05 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.76 2qxl h LYS 598 CO 0.11 -0.30 -0.65 1.79 -3.45 0.00 0.00 179.45 176.94 2qxl h THR 599 N -0.46 1.35 -0.46 1.00 1.35 -1.61 0.38 112.91 114.45 2qxl h THR 599 Ca -0.05 -2.33 -0.08 0.00 -0.55 0.00 0.00 66.41 63.40 2qxl h THR 599 Cb 0.36 2.30 -0.02 0.00 -1.73 0.00 0.00 68.15 69.06 2qxl h THR 599 CO 0.08 0.64 -0.03 0.50 -0.25 0.00 0.00 175.52 176.45 2qxl h LYS 600 N 0.00 0.84 -0.16 4.72 1.63 -1.55 -1.52 116.57 120.52 2qxl h LYS 600 Ca -0.01 -0.29 -0.21 0.00 -0.85 0.00 0.00 60.65 59.30 2qxl h LYS 600 Cb 1.25 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2qxl h LYS 600 CO 0.08 0.91 -0.72 1.25 -3.45 0.00 0.00 179.45 177.53 2qxl h LEU 601 N 0.68 0.84 -0.54 5.20 5.85 -1.18 -2.44 115.31 123.72 2qxl h LEU 601 Ca 0.13 -0.53 0.03 0.00 0.84 0.00 0.00 57.88 58.36 2qxl h LEU 601 Cb 0.55 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 2qxl h LEU 601 CO 0.03 1.31 0.31 -0.61 -0.34 0.00 0.00 178.44 179.13 2qxl h GLN 602 N 0.50 0.58 -0.48 1.25 5.75 -0.23 -0.62 115.11 121.86 2qxl h GLN 602 Ca -0.03 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 2qxl h GLN 602 Cb 1.33 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.72 2qxl h GLN 602 CO 0.14 0.38 0.22 0.78 -2.65 0.00 0.00 178.83 177.71 2qxl h GLY 603 N 0.60 0.76 1.16 2.39 0.00 -1.28 -1.77 103.07 104.93 2qxl h GLY 603 Ca 0.23 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 2qxl h GLY 603 CO -0.12 0.37 -0.00 -0.33 0.00 0.00 0.00 176.54 176.46 2qxl h MET 604 N 0.64 1.01 -0.45 4.80 2.86 -1.17 0.42 114.93 123.03 2qxl h MET 604 Ca 0.16 -0.31 0.06 0.00 -2.06 0.00 0.00 59.70 57.55 2qxl h MET 604 Cb 0.15 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 2qxl h MET 604 CO -0.02 0.99 0.17 -0.07 1.06 0.00 0.00 176.91 179.04 2qxl h LEU 605 N 0.92 0.19 -0.18 1.22 3.38 -1.06 0.02 115.31 119.80 2qxl h LEU 605 Ca 0.17 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.20 2qxl h LEU 605 Cb 0.54 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2qxl h LEU 605 CO 0.03 0.14 0.06 0.78 0.09 0.00 0.00 178.44 179.54 2qxl h ASN 606 N 0.35 0.07 -0.88 -0.43 2.35 -0.75 -1.88 115.58 114.41 2qxl h ASN 606 Ca 0.21 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 56.00 2qxl h ASN 606 Cb 0.20 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 2qxl h ASN 606 CO -0.21 0.07 0.58 0.11 -1.65 0.00 0.00 177.43 176.34 2qxl h LYS 607 N 0.15 1.11 -0.49 0.81 1.79 -0.76 -1.75 116.57 117.43 2qxl h LYS 607 Ca 0.08 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.44 2qxl h LYS 607 Cb 0.04 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.42 2qxl h LYS 607 CO -0.08 0.74 0.15 0.00 -1.08 0.00 0.00 179.45 179.18 2qxl h ALA 608 N 1.47 0.65 -0.57 3.86 0.00 -0.76 -1.34 119.26 122.56 2qxl h ALA 608 Ca 0.34 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2qxl h ALA 608 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2qxl h ALA 608 CO -0.09 0.30 0.34 1.49 0.00 0.00 0.00 179.25 181.29 2qxl h GLU 609 N 0.66 0.77 -0.69 0.00 4.81 -1.12 -1.69 114.58 117.33 2qxl h GLU 609 Ca 0.16 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2qxl h GLU 609 Cb 0.27 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2qxl h GLU 609 CO -0.00 0.56 0.38 0.93 -0.73 0.00 0.00 179.01 180.14 2qxl h GLU 610 N 0.77 0.96 -0.40 1.92 5.08 -1.19 -2.85 114.58 118.86 2qxl h GLU 610 Ca 0.20 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2qxl h GLU 610 Cb -0.01 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2qxl h GLU 610 CO -0.04 0.72 0.25 2.35 -1.00 0.00 0.00 179.01 181.30 2qxl h TRP 611 N 0.95 0.52 -0.70 4.33 7.01 -1.03 -2.54 115.95 124.50 2qxl h TRP 611 Ca 0.24 0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.39 2qxl h TRP 611 Cb 0.04 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 26.89 2qxl h TRP 611 CO -0.00 0.36 0.47 -0.07 -2.79 0.00 0.00 178.44 176.41 2qxl h LEU 612 N 0.54 0.30 -0.85 0.65 3.38 -1.13 0.70 115.31 118.90 2qxl h LEU 612 Ca 0.15 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 2qxl h LEU 612 Cb -0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2qxl h LEU 612 CO -0.03 0.16 -0.55 1.88 0.09 0.00 0.00 178.44 179.99 2qxl h TYR 613 N 0.32 0.11 0.00 1.13 -1.99 -1.24 -2.63 116.97 112.67 2qxl h TYR 613 Ca 0.34 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 61.03 2qxl h TYR 613 Cb 0.88 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.59 2qxl h TYR 613 CO -0.00 0.61 0.00 -3.47 -0.00 0.00 0.00 178.16 175.30 2qxl n ASP 614 N -3.90 0.00 0.25 3.88 2.03 0.24 -4.60 116.55 114.44 2qxl n ASP 614 Ca -0.02 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.43 2qxl n ASP 614 Cb 0.56 0.00 0.51 0.00 -0.72 0.00 0.00 41.12 41.47 2qxl n ASP 614 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2qxl h GLU 615 N 0.00 0.00 -0.09 -0.67 5.08 -1.72 -2.38 114.58 114.80 2qxl h GLU 615 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qxl h GLU 615 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2qxl h GLU 615 CO 0.00 0.09 0.00 0.41 -1.00 0.00 0.00 179.01 178.51 2qxl n GLY 616 N 0.28 -0.16 0.12 -3.84 0.00 0.22 -4.27 105.19 97.54 2qxl n GLY 616 Ca 0.01 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 2qxl n GLY 616 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qxl h PHE 617 N 1.53 0.29 -1.92 1.61 3.57 -1.03 -3.37 116.94 117.61 2qxl h PHE 617 Ca 0.00 0.01 -0.54 0.00 3.53 0.00 0.00 57.97 60.97 2qxl h PHE 617 Cb 0.33 -0.10 -0.37 0.00 2.79 0.00 0.00 35.95 38.61 2qxl h PHE 617 CO 0.06 0.19 -1.03 -3.47 -2.23 0.00 0.00 178.31 171.83 2qxl n ASP 618 N -4.93 -0.25 -3.46 0.41 4.64 -1.26 -5.05 116.55 106.65 2qxl n ASP 618 Ca -0.03 -2.67 -0.12 0.00 -1.38 0.00 0.00 54.79 50.60 2qxl n ASP 618 Cb 0.03 -0.41 0.02 0.00 -1.04 0.00 0.00 41.12 39.72 2qxl n ASP 618 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 2qxl n SER 619 N 1.76 1.49 -4.90 1.67 2.88 -1.26 -5.12 113.62 110.14 2qxl n SER 619 Ca 0.22 -1.87 -0.29 0.00 -1.33 0.00 0.00 58.87 55.60 2qxl n SER 619 Cb 0.53 -0.12 -0.04 0.00 -0.75 0.00 0.00 64.21 63.83 2qxl n SER 619 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2qxl s ILE 620 N -1.11 5.04 0.29 2.46 -4.36 -1.26 -5.01 121.20 117.25 2qxl s ILE 620 Ca 0.23 0.09 0.04 0.00 -0.26 0.00 0.00 60.65 60.75 2qxl s ILE 620 Cb -0.02 -3.70 0.28 0.00 1.25 0.00 0.00 42.46 40.27 2qxl s ILE 620 CO 0.15 -0.24 1.76 0.50 0.24 0.00 0.00 174.94 177.35 2qxl h LYS 621 N 1.95 0.67 -0.04 0.37 3.64 -1.94 -1.20 116.57 120.02 2qxl h LYS 621 Ca -0.47 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.82 2qxl h LYS 621 Cb 1.18 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2qxl h LYS 621 CO 0.67 0.44 -0.22 0.00 -2.27 0.00 0.00 179.45 178.08 2qxl h ALA 622 N 1.63 1.57 -0.05 5.00 0.00 -1.98 -2.16 119.26 123.28 2qxl h ALA 622 Ca 0.55 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 55.05 2qxl h ALA 622 Cb 0.86 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2qxl h ALA 622 CO -0.39 0.32 -0.80 0.87 0.00 0.00 0.00 179.25 179.24 2qxl h LYS 623 N 0.05 0.39 -0.68 0.00 1.57 -1.62 0.24 116.57 116.53 2qxl h LYS 623 Ca 0.01 -0.35 -0.08 0.00 -1.87 0.00 0.00 60.65 58.35 2qxl h LYS 623 Cb 0.42 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 2qxl h LYS 623 CO 0.03 1.01 0.10 1.88 -0.57 0.00 0.00 179.45 181.90 2qxl h TYR 624 N 0.25 1.20 -0.05 -1.35 0.05 -1.39 -1.49 116.97 114.19 2qxl h TYR 624 Ca -0.05 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.55 2qxl h TYR 624 Cb 1.40 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 38.81 2qxl h TYR 624 CO 0.05 1.00 -0.01 0.82 -1.05 0.00 0.00 178.16 178.96 2qxl h ILE 625 N 1.05 1.30 -0.99 -2.88 2.04 -1.37 -2.54 117.51 114.12 2qxl h ILE 625 Ca 0.20 -0.93 0.08 0.00 1.00 0.00 0.00 64.86 65.21 2qxl h ILE 625 Cb 0.45 1.83 -0.07 0.00 -0.74 0.00 0.00 36.82 38.29 2qxl h ILE 625 CO 0.01 0.25 0.63 0.00 0.00 0.00 0.00 178.15 179.05 2qxl h ALA 626 N 0.65 1.40 -0.47 1.87 0.00 -0.87 -1.25 119.26 120.58 2qxl h ALA 626 Ca 0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2qxl h ALA 626 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2qxl h ALA 626 CO 0.01 0.36 -0.10 0.87 0.00 0.00 0.00 179.25 180.39 2qxl h LYS 627 N 1.10 0.90 -0.10 0.00 1.79 -1.24 -2.11 116.57 116.92 2qxl h LYS 627 Ca 0.44 -0.34 -0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2qxl h LYS 627 Cb 0.26 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.85 2qxl h LYS 627 CO -0.20 0.99 0.05 -0.92 -1.08 0.00 0.00 179.45 178.29 2qxl h TYR 628 N 0.75 0.13 -0.41 -1.35 3.20 -1.14 -2.76 116.97 115.39 2qxl h TYR 628 Ca 0.12 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 2qxl h TYR 628 Cb 0.65 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 2qxl h TYR 628 CO 0.05 0.15 0.20 0.93 -1.64 0.00 0.00 178.16 177.85 2qxl h GLU 629 N 0.07 0.56 -0.37 1.82 5.08 -1.08 0.19 114.58 120.85 2qxl h GLU 629 Ca 0.03 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2qxl h GLU 629 Cb 0.06 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2qxl h GLU 629 CO -0.01 0.43 0.13 1.49 -1.00 0.00 0.00 179.01 180.06 2qxl h GLU 630 N 0.57 0.57 -0.30 2.33 4.81 -1.26 -0.34 114.58 120.96 2qxl h GLU 630 Ca 0.14 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2qxl h GLU 630 Cb 0.05 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2qxl h GLU 630 CO -0.02 0.56 0.02 -0.07 -0.73 0.00 0.00 179.01 178.77 2qxl h LEU 631 N 0.45 0.49 -1.05 1.64 3.38 -1.13 -3.23 115.31 115.87 2qxl h LEU 631 Ca 0.12 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 2qxl h LEU 631 Cb 0.22 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2qxl h LEU 631 CO -0.01 0.66 -0.37 0.00 0.09 0.00 0.00 178.44 178.82 2qxl h ALA 632 N 0.85 1.20 -0.38 1.53 0.00 -0.92 0.17 119.26 121.71 2qxl h ALA 632 Ca 0.09 -0.37 0.10 0.00 0.00 0.00 0.00 54.91 54.72 2qxl h ALA 632 Cb 0.40 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2qxl h ALA 632 CO 0.01 0.54 0.27 0.66 0.00 0.00 0.00 179.25 180.73 2qxl h SER 633 N 0.17 0.06 0.07 0.00 4.64 -1.07 0.63 113.55 118.05 2qxl h SER 633 Ca 0.02 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.07 2qxl h SER 633 Cb 0.73 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 2qxl h SER 633 CO 0.06 0.03 -1.46 -0.07 -0.87 0.00 0.00 176.83 174.52 2qxl h LEU 634 N 0.06 0.22 -0.89 5.97 4.07 -1.52 -3.37 115.31 119.85 2qxl h LEU 634 Ca 0.18 -0.75 -0.06 0.00 0.08 0.00 0.00 57.88 57.33 2qxl h LEU 634 Cb 0.63 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 2qxl h LEU 634 CO -0.01 1.61 0.11 1.23 -1.08 0.00 0.00 178.44 180.29 2qxl h GLY 635 N -0.13 0.99 2.00 0.83 0.00 -0.20 -3.07 103.07 103.48 2qxl h GLY 635 Ca -0.34 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.30 2qxl h GLY 635 CO -0.05 0.57 -0.32 3.43 0.00 0.00 0.00 176.54 180.17 2qxl h ASN 636 N 0.88 0.00 -0.25 0.19 2.35 0.04 -1.22 115.58 117.57 2qxl h ASN 636 Ca 0.18 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 2qxl h ASN 636 Cb 0.37 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2qxl h ASN 636 CO 0.01 0.32 0.15 0.40 -1.65 0.00 0.00 177.43 176.66 2qxl h ILE 637 N 0.00 1.04 -0.20 2.81 2.04 -1.70 -1.07 117.51 120.43 2qxl h ILE 637 Ca -0.00 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 2qxl h ILE 637 Cb 0.59 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2qxl h ILE 637 CO 0.04 0.06 -0.15 0.40 0.00 0.00 0.00 178.15 178.50 2qxl h ILE 638 N 0.31 1.32 -0.85 -0.67 2.04 -1.49 -2.99 117.51 115.18 2qxl h ILE 638 Ca 0.09 -1.27 0.06 0.00 1.00 0.00 0.00 64.86 64.75 2qxl h ILE 638 Cb -0.02 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 2qxl h ILE 638 CO -0.04 0.38 0.55 -0.09 0.00 0.00 0.00 178.15 178.96 2qxl h ARG 639 N 0.13 0.94 -0.34 2.37 2.43 -1.23 -1.88 114.38 116.80 2qxl h ARG 639 Ca 0.04 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2qxl h ARG 639 Cb 0.67 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 2qxl h ARG 639 CO 0.04 0.62 0.11 0.78 -1.51 0.00 0.00 179.97 180.01 2qxl h GLY 640 N 0.97 0.42 0.96 2.80 0.00 -1.09 0.16 103.07 107.29 2qxl h GLY 640 Ca 0.36 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 2qxl h GLY 640 CO -0.12 0.02 0.15 3.21 0.00 0.00 0.00 176.54 179.80 2qxl h ARG 641 N 0.25 0.70 -0.47 4.80 3.08 -1.32 -0.76 114.38 120.67 2qxl h ARG 641 Ca 0.15 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 60.07 2qxl h ARG 641 Cb 0.13 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 2qxl h ARG 641 CO -0.16 0.67 0.29 -0.92 -1.07 0.00 0.00 179.97 178.77 2qxl h TYR 642 N 0.60 0.55 0.00 3.04 3.20 -1.11 -2.63 116.97 120.62 2qxl h TYR 642 Ca 0.15 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2qxl h TYR 642 Cb 0.25 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 2qxl h TYR 642 CO 0.01 0.32 -0.15 1.25 -1.64 0.00 0.00 178.16 177.96 2qxl h LEU 643 N 0.59 0.00 -0.04 2.82 5.85 -0.47 -0.98 115.31 123.06 2qxl h LEU 643 Ca 0.18 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.66 2qxl h LEU 643 Cb -0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2qxl h LEU 643 CO -0.07 0.15 -1.08 0.00 -0.34 0.00 0.00 178.44 177.10 2qxl h ALA 644 N 1.85 0.25 0.00 1.25 0.00 -0.87 -3.07 119.26 118.68 2qxl h ALA 644 Ca -0.00 -0.79 -0.18 0.00 0.00 0.00 0.00 54.91 53.94 2qxl h ALA 644 Cb 0.56 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2qxl h ALA 644 CO 0.02 0.88 -0.89 -0.22 0.00 0.00 0.00 179.25 179.04 2qxl h LYS 645 N 0.15 0.00 -0.03 0.00 3.64 -1.17 -3.20 116.57 115.96 2qxl h LYS 645 Ca -0.10 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 2qxl h LYS 645 Cb 1.75 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.57 2qxl h LYS 645 CO 0.18 0.78 -0.14 0.93 -2.27 0.00 0.00 179.45 178.93 2qxl h GLU 646 N 0.00 0.04 0.01 1.90 4.39 -1.22 -2.50 114.58 117.19 2qxl h GLU 646 Ca -0.03 -0.01 -0.20 0.00 0.34 0.00 0.00 59.36 59.46 2qxl h GLU 646 Cb 1.65 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.28 2qxl h GLU 646 CO 0.10 0.18 -0.90 0.93 -1.16 0.00 0.00 179.01 178.16 2qxl h GLU 647 N 0.04 0.22 -0.23 2.33 5.08 -1.57 -3.12 114.58 117.34 2qxl h GLU 647 Ca 0.01 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.03 2qxl h GLU 647 Cb 0.27 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2qxl h GLU 647 CO 0.02 0.98 -0.26 0.93 -1.00 0.00 0.00 179.01 179.68 2qxl h GLU 648 N 0.12 0.43 -0.30 2.33 5.08 -1.48 -3.06 114.58 117.70 2qxl h GLU 648 Ca -0.05 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.02 2qxl h GLU 648 Cb 1.54 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 2qxl h GLU 648 CO 0.14 0.66 -0.33 0.87 -1.00 0.00 0.00 179.01 179.35 2qxl h LYS 649 N 0.38 0.66 -1.42 2.33 1.57 -1.50 0.22 116.57 118.81 2qxl h LYS 649 Ca 0.06 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2qxl h LYS 649 Cb 0.66 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2qxl h LYS 649 CO 0.05 0.91 0.00 1.63 -0.57 0.00 0.00 179.45 181.46 2qxl n LYS 650 N -4.07 0.83 0.03 3.15 5.02 -1.15 -3.80 118.16 118.17 2qxl n LYS 650 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2qxl n LYS 650 Cb 0.48 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 2qxl n LYS 650 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2qxl n GLN 651 N 0.89 0.00 0.00 1.97 6.02 -1.07 -5.05 117.38 120.14 2qxl n GLN 651 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.05 2qxl n GLN 651 Cb 0.42 0.00 0.35 0.00 1.02 0.00 0.00 30.24 32.02 2qxl n GLN 651 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05