#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkb s ASP 2 N 0.00 5.09 -0.24 0.00 1.01 -1.26 -4.82 116.67 116.44 1qkb s ASP 2 Ca 0.00 -2.58 -0.29 0.00 0.71 0.00 0.00 52.55 50.39 1qkb s ASP 2 Cb 0.00 -1.80 -0.00 0.00 1.01 0.00 0.00 42.92 42.13 1qkb s ASP 2 CO 0.00 -0.40 1.22 -0.69 0.21 0.00 0.00 175.17 175.50 1qkb s VAL 3 N 0.33 4.32 0.43 -1.27 1.01 -1.26 -4.98 120.40 118.98 1qkb s VAL 3 Ca 0.14 1.55 -0.25 0.00 0.00 0.00 0.00 61.98 63.42 1qkb s VAL 3 Cb -0.22 -4.16 -0.10 0.00 0.00 0.00 0.00 36.38 31.91 1qkb s VAL 3 CO -0.03 -0.31 1.17 -2.65 0.00 0.00 0.00 175.10 173.28 1qkb n PRO 4 N 6.86 1.68 -1.65 2.72 -0.02 -1.26 -4.90 135.00 138.43 1qkb n PRO 4 Ca 0.14 0.60 -0.45 0.00 -2.02 0.00 0.00 63.50 61.77 1qkb n PRO 4 Cb 0.46 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 1qkb n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qkb n ALA 5 N -0.38 0.58 -0.48 3.55 0.00 -1.26 -1.88 120.51 120.65 1qkb n ALA 5 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1qkb n ALA 5 Cb 0.40 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1qkb n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qkb n GLY 6 N 1.65 1.70 3.78 0.00 0.00 -1.26 -5.03 105.19 106.03 1qkb n GLY 6 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1qkb n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qkb s VAL 7 N -3.35 4.36 -0.22 1.61 -7.23 -0.79 -5.02 120.40 109.77 1qkb s VAL 7 Ca 0.00 1.71 -0.18 0.00 -1.81 0.00 0.00 61.98 61.70 1qkb s VAL 7 Cb 0.00 -4.14 -0.03 0.00 0.56 0.00 0.00 36.38 32.77 1qkb s VAL 7 CO 0.00 0.52 0.50 -1.10 -0.31 0.00 0.00 175.10 174.71 1qkb s GLN 8 N -1.16 4.14 0.36 4.82 -0.21 -1.26 -4.97 119.66 121.38 1qkb s GLN 8 Ca 0.36 0.35 -0.20 0.00 0.02 0.00 0.00 55.36 55.89 1qkb s GLN 8 Cb -0.23 -3.59 -0.10 0.00 1.00 0.00 0.00 33.01 30.09 1qkb s GLN 8 CO 0.26 -0.21 0.86 -0.51 -2.12 0.00 0.00 175.29 173.57 1qkb s LEU 9 N 1.83 4.08 0.57 2.90 1.43 -1.26 -0.76 118.68 127.48 1qkb s LEU 9 Ca 0.22 1.55 -0.19 0.00 -1.03 0.00 0.00 54.13 54.68 1qkb s LEU 9 Cb -0.15 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 1qkb s LEU 9 CO 0.09 -0.23 1.16 0.00 0.23 0.00 0.00 176.35 177.60 1qkb s ALA 10 N -1.97 2.61 0.13 4.21 0.00 -0.06 -4.31 121.76 122.37 1qkb s ALA 10 Ca 0.56 0.87 -0.16 0.00 0.00 0.00 0.00 51.96 53.23 1qkb s ALA 10 Cb -0.12 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 1qkb s ALA 10 CO 0.17 -0.98 1.68 -0.44 0.00 0.00 0.00 175.76 176.18 1qkb h ASP 11 N 0.96 0.52 -3.61 0.00 5.19 -1.96 -3.40 116.42 114.12 1qkb h ASP 11 Ca -0.50 -0.17 -0.65 0.00 -0.62 0.00 0.00 57.03 55.09 1qkb h ASP 11 Cb 1.27 -0.13 -0.16 0.00 0.18 0.00 0.00 39.33 40.49 1qkb h ASP 11 CO 0.56 0.54 -0.09 -0.75 -3.12 0.00 0.00 179.24 176.38 1qkb s LYS 12 N -5.55 3.53 -1.04 3.56 2.20 -1.26 -5.00 119.74 116.17 1qkb s LYS 12 Ca -0.13 -0.28 -0.05 0.00 -0.36 0.00 0.00 55.97 55.14 1qkb s LYS 12 Cb 0.10 -3.84 0.27 0.00 -1.51 0.00 0.00 37.83 32.86 1qkb s LYS 12 CO 0.75 -0.68 1.14 1.04 -0.36 0.00 0.00 175.35 177.24 1qkb n GLN 13 N 5.71 3.58 -4.22 4.03 1.13 -1.26 -4.92 117.38 121.43 1qkb n GLN 13 Ca -0.05 -4.51 -0.19 0.00 -1.94 0.00 0.00 57.00 50.30 1qkb n GLN 13 Cb 0.49 -2.49 -0.12 0.00 0.11 0.00 0.00 30.24 28.23 1qkb n GLN 13 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1qkb s THR 14 N -1.84 1.32 0.00 5.09 -4.23 -1.26 -0.35 115.64 114.38 1qkb s THR 14 Ca 0.31 -1.50 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 1qkb s THR 14 Cb -0.03 -1.34 -0.01 0.00 1.34 0.00 0.00 72.50 72.46 1qkb s THR 14 CO -0.03 -0.26 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.53 1qkb s LEU 15 N -2.03 2.04 -0.15 4.79 2.96 -0.59 -4.95 118.68 120.75 1qkb s LEU 15 Ca 0.04 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 1qkb s LEU 15 Cb -0.08 -0.17 0.02 0.00 0.50 0.00 0.00 46.19 46.46 1qkb s LEU 15 CO 0.03 0.01 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.23 1qkb s VAL 16 N -0.25 1.65 -0.04 1.68 1.01 -1.26 -0.87 120.40 122.32 1qkb s VAL 16 Ca -0.00 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.35 1qkb s VAL 16 Cb -0.02 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1qkb s VAL 16 CO -0.00 0.47 -0.22 -0.13 0.00 0.00 0.00 175.10 175.22 1qkb s ARG 17 N 1.45 2.37 0.25 2.72 0.52 0.57 -1.14 118.95 125.68 1qkb s ARG 17 Ca 0.05 -0.84 -0.19 0.00 -0.52 0.00 0.00 55.73 54.23 1qkb s ARG 17 Cb -0.13 -2.19 -0.08 0.00 0.52 0.00 0.00 34.95 33.07 1qkb s ARG 17 CO -0.11 0.53 0.74 1.21 0.02 0.00 0.00 175.30 177.69 1qkb s ASN 18 N -0.52 7.02 -0.05 0.23 2.47 -0.45 -1.04 114.94 122.59 1qkb s ASN 18 Ca 0.07 1.41 0.07 0.00 0.42 0.00 0.00 52.86 54.83 1qkb s ASN 18 Cb -0.11 -2.42 0.11 0.00 -1.45 0.00 0.00 41.25 37.38 1qkb s ASN 18 CO 0.01 -0.02 1.01 -3.20 -3.72 0.00 0.00 177.10 171.18 1qkb n ASN 19 N 0.51 1.81 0.00 -4.21 5.15 0.20 -3.59 115.26 115.13 1qkb n ASN 19 Ca -0.01 -2.32 0.00 0.00 -0.60 0.00 0.00 54.58 51.65 1qkb n ASN 19 Cb 0.51 -0.18 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 1qkb n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qkb n GLY 20 N -0.77 2.01 3.75 8.20 0.00 -1.25 -4.52 105.19 112.61 1qkb n GLY 20 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1qkb n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qkb s SER 21 N 0.00 -0.10 0.12 1.61 1.04 -1.25 -3.00 113.70 112.12 1qkb s SER 21 Ca 0.00 -0.38 -0.30 0.00 0.48 0.00 0.00 55.95 55.75 1qkb s SER 21 Cb 0.00 0.39 -0.07 0.00 0.10 0.00 0.00 66.02 66.44 1qkb s SER 21 CO 0.00 -0.73 1.23 -0.70 0.98 0.00 0.00 173.24 174.02 1qkb s GLU 22 N -2.77 4.44 0.67 4.02 2.56 -1.26 -4.47 118.70 121.89 1qkb s GLU 22 Ca 0.15 1.86 -0.16 0.00 0.00 0.00 0.00 54.97 56.82 1qkb s GLU 22 Cb 0.00 -3.29 0.01 0.00 2.00 0.00 0.00 34.13 32.85 1qkb s GLU 22 CO 0.01 -0.21 1.18 0.14 -0.56 0.00 0.00 175.26 175.81 1qkb s VAL 23 N 0.61 2.68 0.14 3.70 -7.23 -1.26 -4.54 120.40 114.49 1qkb s VAL 23 Ca 0.57 0.35 -0.16 0.00 -1.81 0.00 0.00 61.98 60.93 1qkb s VAL 23 Cb -0.32 -2.94 -0.01 0.00 0.56 0.00 0.00 36.38 33.67 1qkb s VAL 23 CO 0.32 -0.16 1.72 1.56 -0.31 0.00 0.00 175.10 178.23 1qkb h GLN 24 N 0.11 0.54 -2.16 4.82 4.20 -1.94 -3.48 115.11 117.20 1qkb h GLN 24 Ca -0.48 -0.07 0.21 0.00 0.06 0.00 0.00 58.65 58.36 1qkb h GLN 24 Cb 1.28 -0.10 -0.09 0.00 0.30 0.00 0.00 27.48 28.87 1qkb h GLN 24 CO 0.52 0.47 0.56 0.45 -0.67 0.00 0.00 178.83 180.16 1qkb s SER 25 N -5.72 -0.15 0.00 1.46 0.15 -1.26 -5.01 113.70 103.17 1qkb s SER 25 Ca -0.13 -0.36 0.12 0.00 0.70 0.00 0.00 55.95 56.28 1qkb s SER 25 Cb 0.10 0.42 0.14 0.00 -1.71 0.00 0.00 66.02 64.97 1qkb s SER 25 CO 0.74 -0.78 0.95 0.18 1.20 0.00 0.00 173.24 175.53 1qkb n LEU 26 N -0.48 2.19 -4.64 3.45 4.77 -1.26 -4.90 117.00 116.12 1qkb n LEU 26 Ca -0.06 -1.16 -0.42 0.00 -0.03 0.00 0.00 56.01 54.33 1qkb n LEU 26 Cb 0.61 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1qkb n LEU 26 CO 0.14 0.44 0.78 -0.62 -1.33 0.00 0.00 177.39 176.79 1qkb s ASP 27 N -1.02 6.92 0.59 -1.43 -1.08 -1.26 -4.92 116.67 114.47 1qkb s ASP 27 Ca 0.16 1.12 0.29 0.00 -0.52 0.00 0.00 52.55 53.59 1qkb s ASP 27 Cb 0.11 -2.48 1.58 0.00 -1.46 0.00 0.00 42.92 40.66 1qkb s ASP 27 CO 0.16 -0.63 2.02 -0.65 0.52 0.00 0.00 175.17 176.59 1qkb h PRO 28 N 7.70 0.00 -0.02 4.34 0.11 -1.92 0.97 132.00 143.19 1qkb h PRO 28 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1qkb h PRO 28 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1qkb h PRO 28 CO 0.93 0.00 -0.01 0.72 -0.21 0.00 0.00 178.00 179.43 1qkb n HIS 29 N -3.78 0.00 -0.43 0.65 8.25 -1.26 -3.97 115.22 114.68 1qkb n HIS 29 Ca 0.04 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.55 1qkb n HIS 29 Cb 0.46 -0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.67 1qkb n HIS 29 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1qkb n LYS 30 N 0.22 2.57 -4.43 -0.41 4.76 0.33 -4.23 118.16 116.98 1qkb n LYS 30 Ca 0.18 -2.07 -0.26 0.00 -2.87 0.00 0.00 58.31 53.29 1qkb n LYS 30 Cb 0.37 -1.30 -0.11 0.00 -1.84 0.00 0.00 35.03 32.15 1qkb n LYS 30 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1qkb s ILE 31 N -1.69 2.42 0.00 -0.18 -4.36 -1.22 -4.69 121.20 111.49 1qkb s ILE 31 Ca 0.19 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 1qkb s ILE 31 Cb 0.14 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.66 1qkb s ILE 31 CO 0.06 -0.17 0.00 -1.84 0.24 0.00 0.00 174.94 173.22 1qkb n GLU 32 N 0.07 0.00 -4.10 0.37 0.28 -1.26 -4.58 120.64 111.42 1qkb n GLU 32 Ca -0.11 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.63 1qkb n GLU 32 Cb 0.57 -0.37 -0.04 0.00 1.43 0.00 0.00 31.44 33.03 1qkb n GLU 32 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1qkb s GLY 33 N 0.00 2.46 0.10 -1.84 0.00 -1.26 -5.01 107.32 101.77 1qkb s GLY 33 Ca 0.00 -1.42 -0.20 0.00 0.00 0.00 0.00 44.72 43.10 1qkb s GLY 33 CO 0.00 -1.96 1.68 -2.08 0.00 0.00 0.00 173.10 170.74 1qkb h VAL 34 N 1.09 1.12 -0.93 1.40 2.07 -1.98 -0.36 116.25 118.67 1qkb h VAL 34 Ca -0.40 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1qkb h VAL 34 Cb 1.29 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 1qkb h VAL 34 CO 0.64 0.12 0.59 -0.65 0.02 0.00 0.00 177.57 178.29 1qkb h PRO 35 N 0.19 1.24 -0.28 1.57 0.11 -1.95 0.10 132.00 132.98 1qkb h PRO 35 Ca 0.07 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 1qkb h PRO 35 Cb 0.10 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 1qkb h PRO 35 CO -0.01 0.85 0.07 0.93 -0.21 0.00 0.00 178.00 179.63 1qkb h GLU 36 N 1.27 0.44 -0.04 1.05 3.07 -1.86 -2.90 114.58 115.61 1qkb h GLU 36 Ca 0.34 -0.10 -0.08 0.00 -0.50 0.00 0.00 59.36 59.01 1qkb h GLU 36 Cb -0.10 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 1qkb h GLU 36 CO -0.07 0.52 -0.34 0.77 -1.40 0.00 0.00 179.01 178.49 1qkb h SER 37 N 0.29 0.09 -0.30 1.42 0.02 -0.52 -0.22 113.55 114.32 1qkb h SER 37 Ca 0.09 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1qkb h SER 37 Cb 0.27 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1qkb h SER 37 CO -0.00 0.43 0.17 0.78 -1.14 0.00 0.00 176.83 177.07 1qkb h ASN 38 N 0.08 0.28 -0.21 3.07 2.35 -0.62 -1.37 115.58 119.15 1qkb h ASN 38 Ca 0.01 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.57 1qkb h ASN 38 Cb 0.65 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.97 1qkb h ASN 38 CO 0.05 0.20 -0.63 0.58 -1.65 0.00 0.00 177.43 175.98 1qkb h VAL 39 N 0.35 1.28 -0.98 2.81 2.07 -1.37 -3.30 116.25 117.11 1qkb h VAL 39 Ca 0.12 -1.83 0.08 0.00 0.82 0.00 0.00 66.70 65.89 1qkb h VAL 39 Cb 0.00 1.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.53 1qkb h VAL 39 CO -0.06 0.59 0.63 -1.28 0.02 0.00 0.00 177.57 177.47 1qkb h SER 40 N 0.55 0.97 0.25 0.57 0.87 -0.66 -1.28 113.55 114.82 1qkb h SER 40 Ca -0.02 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1qkb h SER 40 Cb 1.25 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1qkb h SER 40 CO 0.14 0.59 -0.19 0.03 -0.53 0.00 0.00 176.83 176.86 1qkb h ARG 41 N 1.08 0.00 0.00 2.24 3.08 -1.34 0.09 114.38 119.53 1qkb h ARG 41 Ca 0.44 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.39 1qkb h ARG 41 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1qkb h ARG 41 CO -0.19 0.19 -0.49 -0.44 -1.07 0.00 0.00 179.97 177.96 1qkb h ASP 42 N 0.00 0.00 0.00 7.04 3.32 -1.37 -3.39 116.42 122.02 1qkb h ASP 42 Ca -0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.67 1qkb h ASP 42 Cb 0.37 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.85 1qkb h ASP 42 CO 0.02 0.49 -2.41 0.18 -1.72 0.00 0.00 179.24 175.80 1qkb n LEU 43 N -3.29 2.01 -4.12 1.55 4.77 -0.77 -1.37 117.00 115.78 1qkb n LEU 43 Ca 0.01 -0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.62 1qkb n LEU 43 Cb 0.69 -0.44 -0.17 0.00 -2.33 0.00 0.00 43.42 41.18 1qkb n LEU 43 CO 0.40 0.79 -0.52 -0.36 -1.33 0.00 0.00 177.39 176.37 1qkb s PHE 44 N -2.50 2.06 -0.13 -1.77 0.08 -0.05 -0.28 117.98 115.39 1qkb s PHE 44 Ca -0.26 -0.83 0.01 0.00 0.12 0.00 0.00 56.93 55.96 1qkb s PHE 44 Cb 0.08 -1.42 -0.01 0.00 -0.57 0.00 0.00 43.02 41.10 1qkb s PHE 44 CO 0.66 -0.37 -0.16 -2.00 -0.10 0.00 0.00 175.22 173.24 1qkb s GLU 45 N 0.54 3.25 0.00 0.44 2.12 -1.26 -4.54 118.70 119.25 1qkb s GLU 45 Ca -0.16 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.42 1qkb s GLU 45 Cb -0.17 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 31.68 1qkb s GLU 45 CO 0.06 0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.33 1qkb n GLY 46 N 3.69 0.64 0.17 -1.50 0.00 -1.26 -4.33 105.19 102.60 1qkb n GLY 46 Ca -0.19 -1.85 -0.09 0.00 0.00 0.00 0.00 46.02 43.90 1qkb n GLY 46 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qkb h LEU 47 N 0.00 0.46 -9.00 0.99 3.38 -1.81 0.75 115.31 110.08 1qkb h LEU 47 Ca 0.00 -0.08 -0.50 0.00 0.09 0.00 0.00 57.88 57.39 1qkb h LEU 47 Cb 0.00 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 40.49 1qkb h LEU 47 CO 0.00 0.41 -0.74 -0.76 0.09 0.00 0.00 178.44 177.44 1qkb s LEU 48 N -10.01 2.56 0.24 1.67 1.02 -1.26 -0.92 118.68 111.99 1qkb s LEU 48 Ca -0.13 -1.03 0.02 0.00 0.02 0.00 0.00 54.13 53.01 1qkb s LEU 48 Cb 0.10 -0.80 -0.05 0.00 0.02 0.00 0.00 46.19 45.46 1qkb s LEU 48 CO 0.73 -0.12 0.05 0.27 0.02 0.00 0.00 176.35 177.30 1qkb s ILE 49 N -2.84 0.74 0.22 -0.59 -4.36 0.26 -4.09 121.20 110.55 1qkb s ILE 49 Ca 0.25 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.43 1qkb s ILE 49 Cb -0.02 -2.48 -0.08 0.00 1.25 0.00 0.00 42.46 41.13 1qkb s ILE 49 CO 0.10 -0.17 0.76 -0.44 0.24 0.00 0.00 174.94 175.42 1qkb s SER 50 N -3.30 7.15 1.00 4.36 0.01 -1.26 0.21 113.70 121.86 1qkb s SER 50 Ca 0.33 1.51 -0.00 0.00 1.31 0.00 0.00 55.95 59.09 1qkb s SER 50 Cb 0.07 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1qkb s SER 50 CO 0.11 0.05 0.02 -0.90 0.41 0.00 0.00 173.24 172.93 1qkb n ASP 51 N 0.86 -0.07 0.06 2.44 5.68 0.31 -4.83 116.55 121.01 1qkb n ASP 51 Ca -0.02 -0.97 0.08 0.00 -0.50 0.00 0.00 54.79 53.37 1qkb n ASP 51 Cb 0.51 -0.01 0.36 0.00 -1.14 0.00 0.00 41.12 40.83 1qkb n ASP 51 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1qkb n VAL 52 N -2.06 1.07 0.48 2.12 0.24 -1.26 -1.67 118.33 117.26 1qkb n VAL 52 Ca 0.00 0.32 0.07 0.00 -2.04 0.00 0.00 64.34 62.69 1qkb n VAL 52 Cb 0.01 -1.18 0.08 0.00 -1.47 0.00 0.00 33.84 31.28 1qkb n VAL 52 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1qkb n GLU 53 N -1.81 1.34 -0.12 7.34 1.02 -1.26 -4.58 120.64 122.56 1qkb n GLU 53 Ca 0.02 -1.52 0.00 0.00 -0.02 0.00 0.00 57.16 55.64 1qkb n GLU 53 Cb 0.16 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1qkb n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qkb n GLY 54 N 0.83 0.55 3.75 0.62 0.00 -0.67 -3.59 105.19 106.68 1qkb n GLY 54 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1qkb n GLY 54 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qkb s HIS 55 N -2.26 3.39 0.26 1.61 3.76 -1.26 -4.57 115.29 116.22 1qkb s HIS 55 Ca 0.00 1.45 -0.31 0.00 -0.15 0.00 0.00 55.06 56.06 1qkb s HIS 55 Cb 0.00 -3.45 -0.12 0.00 1.11 0.00 0.00 32.58 30.12 1qkb s HIS 55 CO 0.00 -1.23 1.66 -2.14 -0.85 0.00 0.00 174.74 172.18 1qkb s PRO 56 N -0.65 4.11 0.21 8.40 0.02 -1.26 -0.53 135.00 145.30 1qkb s PRO 56 Ca 0.51 2.61 -0.11 0.00 0.02 0.00 0.00 61.00 64.03 1qkb s PRO 56 Cb -0.34 -3.04 -0.01 0.00 0.02 0.00 0.00 34.50 31.14 1qkb s PRO 56 CO 0.40 -0.70 0.39 -1.54 -0.33 0.00 0.00 177.00 175.22 1qkb s SER 57 N 0.77 -0.05 0.22 2.53 1.04 0.13 -4.84 113.70 113.51 1qkb s SER 57 Ca 0.68 -0.90 -0.32 0.00 0.48 0.00 0.00 55.95 55.89 1qkb s SER 57 Cb -0.49 0.52 -0.13 0.00 0.10 0.00 0.00 66.02 66.02 1qkb s SER 57 CO 0.42 -1.02 1.61 -2.65 0.98 0.00 0.00 173.24 172.57 1qkb n PRO 58 N -0.31 2.46 0.00 4.02 -0.02 -1.26 -0.58 135.00 139.31 1qkb n PRO 58 Ca -0.04 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1qkb n PRO 58 Cb 0.63 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1qkb n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qkb n GLY 59 N 3.16 1.40 0.22 -1.23 0.00 -0.26 -4.29 105.19 104.18 1qkb n GLY 59 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 1qkb n GLY 59 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1qkb h VAL 60 N 0.00 1.28 -3.11 1.61 2.07 -0.34 -3.40 116.25 114.37 1qkb h VAL 60 Ca 0.00 -1.37 -0.57 0.00 0.82 0.00 0.00 66.70 65.58 1qkb h VAL 60 Cb 0.00 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1qkb h VAL 60 CO 0.00 0.42 0.74 0.00 0.02 0.00 0.00 177.57 178.75 1qkb s ALA 61 N -4.33 3.59 -0.04 1.67 0.00 -0.09 -0.94 121.76 121.60 1qkb s ALA 61 Ca -0.06 0.32 0.12 0.00 0.00 0.00 0.00 51.96 52.34 1qkb s ALA 61 Cb 0.14 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 1qkb s ALA 61 CO 0.78 -0.91 1.13 1.05 0.00 0.00 0.00 175.76 177.81 1qkb h GLU 62 N 7.46 0.00 -3.19 0.00 4.11 -1.14 -3.40 114.58 118.42 1qkb h GLU 62 Ca -0.25 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.12 1qkb h GLU 62 Cb 1.10 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.20 1qkb h GLU 62 CO 0.93 0.61 -0.07 -1.59 0.07 0.00 0.00 179.01 178.96 1qkb s LYS 63 N -2.81 1.00 0.08 1.06 -2.85 -1.20 -4.86 119.74 110.16 1qkb s LYS 63 Ca 0.00 -0.52 -0.17 0.00 -1.00 0.00 0.00 55.97 54.28 1qkb s LYS 63 Cb 0.09 0.45 0.04 0.00 -2.06 0.00 0.00 37.83 36.34 1qkb s LYS 63 CO 0.80 -0.37 0.41 1.67 0.10 0.00 0.00 175.35 177.95 1qkb s TRP 64 N -3.13 -0.24 0.18 1.78 -2.14 -1.26 -0.40 118.94 113.72 1qkb s TRP 64 Ca -0.01 0.09 0.01 0.00 2.66 0.00 0.00 56.10 58.84 1qkb s TRP 64 Cb 0.01 0.24 -0.05 0.00 -3.10 0.00 0.00 33.47 30.57 1qkb s TRP 64 CO -0.07 -0.63 0.04 -1.21 -2.66 0.00 0.00 176.95 172.42 1qkb s GLU 65 N -3.05 1.14 0.02 3.25 8.01 -0.51 -4.99 118.70 122.58 1qkb s GLU 65 Ca -0.02 -1.57 0.01 0.00 0.01 0.00 0.00 54.97 53.41 1qkb s GLU 65 Cb 0.00 -0.13 -0.02 0.00 -4.31 0.00 0.00 34.13 29.68 1qkb s GLU 65 CO -0.07 -0.21 -0.05 0.54 0.01 0.00 0.00 175.26 175.48 1qkb s ASN 66 N -3.18 0.59 -0.31 -0.19 2.20 -1.26 -0.79 114.94 112.00 1qkb s ASN 66 Ca 0.28 -0.36 -0.04 0.00 -0.94 0.00 0.00 52.86 51.79 1qkb s ASN 66 Cb 0.07 0.02 0.04 0.00 -2.00 0.00 0.00 41.25 39.37 1qkb s ASN 66 CO 0.06 -0.13 0.04 -0.75 -2.94 0.00 0.00 177.10 173.38 1qkb s LYS 67 N -1.01 2.67 -1.72 3.55 2.20 0.01 -4.65 119.74 120.80 1qkb s LYS 67 Ca -0.07 -1.12 0.00 0.00 -0.36 0.00 0.00 55.97 54.42 1qkb s LYS 67 Cb -0.07 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1qkb s LYS 67 CO -0.00 -0.57 0.00 -0.25 -0.36 0.00 0.00 175.35 174.17 1qkb n ASP 68 N 4.74 -4.90 -1.43 1.43 8.00 -1.26 -1.01 116.55 122.12 1qkb n ASP 68 Ca -0.14 0.27 -0.19 0.00 0.71 0.00 0.00 54.79 55.44 1qkb n ASP 68 Cb 0.45 -4.26 -0.08 0.00 -0.02 0.00 0.00 41.12 37.21 1qkb n ASP 68 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1qkb n PHE 69 N -2.91 0.00 -0.00 1.24 3.72 -1.26 -4.58 117.46 113.68 1qkb n PHE 69 Ca -0.19 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1qkb n PHE 69 Cb 0.62 -3.20 -0.00 0.00 -0.94 0.00 0.00 39.48 35.96 1qkb n PHE 69 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1qkb n LYS 70 N -2.36 2.02 -4.02 -1.08 5.02 -0.18 -1.52 118.16 116.04 1qkb n LYS 70 Ca -0.19 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.77 1qkb n LYS 70 Cb 0.62 -1.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.48 1qkb n LYS 70 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qkb s VAL 71 N -2.00 2.64 -0.18 -0.18 1.01 -0.73 -0.21 120.40 120.75 1qkb s VAL 71 Ca -0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 1qkb s VAL 71 Cb 0.00 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1qkb s VAL 71 CO 0.00 0.42 -0.03 0.26 0.00 0.00 0.00 175.10 175.76 1qkb s TRP 72 N 1.35 3.00 -0.22 5.22 0.52 0.66 -0.81 118.94 128.67 1qkb s TRP 72 Ca 0.04 -0.50 -0.01 0.00 0.02 0.00 0.00 56.10 55.65 1qkb s TRP 72 Cb -0.14 -2.03 0.01 0.00 -1.15 0.00 0.00 33.47 30.17 1qkb s TRP 72 CO -0.08 -0.22 -0.11 0.99 0.02 0.00 0.00 176.95 177.55 1qkb s THR 73 N 0.81 2.73 -0.22 2.01 2.01 0.03 -0.13 115.64 122.88 1qkb s THR 73 Ca -0.01 -0.83 -0.06 0.00 0.31 0.00 0.00 61.69 61.10 1qkb s THR 73 Cb -0.14 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 1qkb s THR 73 CO 0.02 0.39 0.03 -0.36 -0.69 0.00 0.00 174.62 174.00 1qkb s PHE 74 N 1.36 3.05 -0.51 4.92 0.08 0.22 -1.42 117.98 125.68 1qkb s PHE 74 Ca 0.04 -0.50 -0.21 0.00 0.12 0.00 0.00 56.93 56.38 1qkb s PHE 74 Cb -0.15 -2.15 0.05 0.00 -0.57 0.00 0.00 43.02 40.20 1qkb s PHE 74 CO -0.07 -0.32 0.72 -1.01 -0.10 0.00 0.00 175.22 174.43 1qkb s HIS 75 N 1.32 2.98 0.09 0.36 3.76 0.46 -1.11 115.29 123.14 1qkb s HIS 75 Ca 0.04 -0.30 -0.30 0.00 -0.15 0.00 0.00 55.06 54.35 1qkb s HIS 75 Cb -0.15 -3.65 -0.05 0.00 1.11 0.00 0.00 32.58 29.84 1qkb s HIS 75 CO 0.02 -1.09 0.97 -0.51 -0.85 0.00 0.00 174.74 173.28 1qkb s LEU 76 N 3.04 4.47 0.39 0.89 1.43 0.16 -0.72 118.68 128.34 1qkb s LEU 76 Ca 0.21 1.78 -0.27 0.00 -1.03 0.00 0.00 54.13 54.81 1qkb s LEU 76 Cb -0.16 -3.59 -0.11 0.00 0.03 0.00 0.00 46.19 42.37 1qkb s LEU 76 CO 0.15 -0.11 1.45 -2.11 0.23 0.00 0.00 176.35 175.96 1qkb n ARG 77 N 3.01 2.52 0.24 1.70 1.85 -0.12 -4.80 116.66 121.06 1qkb n ARG 77 Ca 0.03 0.89 0.07 0.00 -1.00 0.00 0.00 57.85 57.84 1qkb n ARG 77 Cb 0.49 -2.63 0.57 0.00 -1.05 0.00 0.00 32.46 29.85 1qkb n ARG 77 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1qkb h GLU 78 N 2.75 0.00 -0.64 2.89 4.81 -1.94 -3.01 114.58 119.44 1qkb h GLU 78 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1qkb h GLU 78 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1qkb h GLU 78 CO 0.63 0.12 0.00 0.27 -0.73 0.00 0.00 179.01 179.30 1qkb n ASN 79 N -4.33 4.86 -4.68 1.04 6.94 -1.26 -4.93 115.26 112.89 1qkb n ASN 79 Ca -0.03 -2.59 -0.42 0.00 -0.02 0.00 0.00 54.58 51.52 1qkb n ASN 79 Cb 0.19 -0.61 -0.03 0.00 -2.36 0.00 0.00 39.78 36.98 1qkb n ASN 79 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qkb s ALA 80 N -2.14 3.59 0.11 -2.53 0.00 -1.14 -4.40 121.76 115.25 1qkb s ALA 80 Ca 0.49 0.83 0.03 0.00 0.00 0.00 0.00 51.96 53.32 1qkb s ALA 80 Cb 0.34 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1qkb s ALA 80 CO 0.20 -0.97 -0.09 0.15 0.00 0.00 0.00 175.76 175.05 1qkb s LYS 81 N 2.63 0.90 0.75 0.00 1.02 -1.26 -1.16 119.74 122.62 1qkb s LYS 81 Ca 0.63 -1.29 -0.09 0.00 0.02 0.00 0.00 55.97 55.24 1qkb s LYS 81 Cb -0.30 -0.46 0.07 0.00 -0.52 0.00 0.00 37.83 36.61 1qkb s LYS 81 CO 0.25 0.05 1.09 -1.58 -0.92 0.00 0.00 175.35 174.24 1qkb s TRP 82 N -3.04 2.94 -0.33 3.18 0.52 0.64 -4.59 118.94 118.26 1qkb s TRP 82 Ca 0.11 0.59 0.25 0.00 0.02 0.00 0.00 56.10 57.07 1qkb s TRP 82 Cb 0.01 -3.32 1.10 0.00 -1.15 0.00 0.00 33.47 30.11 1qkb s TRP 82 CO -0.01 -1.56 1.76 0.66 0.02 0.00 0.00 176.95 177.82 1qkb h SER 83 N -0.80 0.00 -0.47 2.95 4.64 -0.46 -1.06 113.55 118.35 1qkb h SER 83 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1qkb h SER 83 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1qkb h SER 83 CO 0.63 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.69 1qkb n ASP 84 N -2.38 2.65 0.00 4.97 5.75 -1.26 -4.83 116.55 121.44 1qkb n ASP 84 Ca 0.01 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 1qkb n ASP 84 Cb 0.21 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 1qkb n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qkb n GLY 85 N 1.21 2.00 3.82 6.12 0.00 -0.40 -5.04 105.19 112.90 1qkb n GLY 85 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1qkb n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qkb s THR 86 N -2.83 4.29 0.38 2.61 -4.23 -1.26 -4.74 115.64 109.86 1qkb s THR 86 Ca 0.00 1.21 -0.26 0.00 -1.18 0.00 0.00 61.69 61.46 1qkb s THR 86 Cb 0.00 -3.60 -0.09 0.00 1.34 0.00 0.00 72.50 70.15 1qkb s THR 86 CO 0.00 -0.52 1.20 -2.84 -0.54 0.00 0.00 174.62 171.92 1qkb s PRO 87 N -3.76 4.14 -0.10 3.99 0.02 -1.26 -0.26 135.00 137.77 1qkb s PRO 87 Ca 0.61 1.93 -0.25 0.00 0.02 0.00 0.00 61.00 63.31 1qkb s PRO 87 Cb -0.11 -2.79 -0.03 0.00 0.02 0.00 0.00 34.50 31.59 1qkb s PRO 87 CO 0.26 -0.27 0.79 0.08 -0.33 0.00 0.00 177.00 177.54 1qkb s VAL 88 N -1.33 4.95 0.47 3.83 1.01 -0.31 -4.71 120.40 124.31 1qkb s VAL 88 Ca 0.55 1.60 0.02 0.00 0.00 0.00 0.00 61.98 64.15 1qkb s VAL 88 Cb -0.33 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 1qkb s VAL 88 CO 0.42 0.14 0.04 0.42 0.00 0.00 0.00 175.10 176.12 1qkb s THR 89 N 1.42 1.07 0.13 3.92 -4.23 -1.26 -4.80 115.64 111.88 1qkb s THR 89 Ca 0.40 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.19 1qkb s THR 89 Cb -0.18 -2.30 0.30 0.00 1.34 0.00 0.00 72.50 71.66 1qkb s THR 89 CO 0.17 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.15 1qkb h ALA 90 N 1.54 1.03 -0.41 3.99 0.00 -1.14 -2.30 119.26 121.95 1qkb h ALA 90 Ca -0.41 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 1qkb h ALA 90 Cb 1.29 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1qkb h ALA 90 CO 0.70 0.16 0.03 0.45 0.00 0.00 0.00 179.25 180.59 1qkb h HIS 91 N 0.00 0.67 -0.60 0.00 3.86 -1.84 -0.36 115.15 116.88 1qkb h HIS 91 Ca -0.00 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1qkb h HIS 91 Cb 0.64 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 1qkb h HIS 91 CO 0.00 0.62 0.39 -0.44 0.86 0.00 0.00 177.93 179.37 1qkb h ASP 92 N 0.62 0.67 -0.64 2.45 3.32 -1.79 -0.99 116.42 120.06 1qkb h ASP 92 Ca 0.13 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 1qkb h ASP 92 Cb 0.34 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1qkb h ASP 92 CO 0.01 0.48 0.09 -0.26 -1.72 0.00 0.00 179.24 177.84 1qkb h PHE 93 N 0.80 1.14 0.18 4.55 -1.00 -1.35 -0.36 116.94 120.89 1qkb h PHE 93 Ca 0.22 -0.16 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 1qkb h PHE 93 Cb -0.07 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 39.18 1qkb h PHE 93 CO -0.04 0.97 -0.08 0.28 -1.61 0.00 0.00 178.31 177.83 1qkb h VAL 94 N 0.98 0.85 -0.28 -0.55 2.07 -0.75 -0.64 116.25 117.93 1qkb h VAL 94 Ca 0.19 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.65 1qkb h VAL 94 Cb 0.45 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1qkb h VAL 94 CO 0.02 0.02 0.15 0.22 0.02 0.00 0.00 177.57 177.99 1qkb h TYR 95 N -0.28 0.28 -0.35 1.57 3.20 -1.14 -2.01 116.97 118.25 1qkb h TYR 95 Ca -0.02 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1qkb h TYR 95 Cb 0.21 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1qkb h TYR 95 CO -0.05 0.16 0.16 0.77 -1.64 0.00 0.00 178.16 177.56 1qkb h SER 96 N 0.31 0.46 0.05 -2.11 0.02 -0.81 -0.74 113.55 110.74 1qkb h SER 96 Ca 0.11 -0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 1qkb h SER 96 Cb 0.02 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1qkb h SER 96 CO -0.06 0.47 -0.24 -0.50 -1.14 0.00 0.00 176.83 175.36 1qkb h TRP 97 N 0.42 0.34 -0.53 3.45 4.06 -1.11 0.86 115.95 123.44 1qkb h TRP 97 Ca 0.12 -0.06 -0.10 0.00 2.06 0.00 0.00 58.89 60.91 1qkb h TRP 97 Cb 0.14 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.19 1qkb h TRP 97 CO -0.01 0.53 -0.06 1.96 -3.56 0.00 0.00 178.44 177.30 1qkb h GLN 98 N 0.28 0.95 -0.45 0.49 4.20 -1.05 -1.90 115.11 117.64 1qkb h GLN 98 Ca 0.05 -0.32 -0.11 0.00 0.06 0.00 0.00 58.65 58.32 1qkb h GLN 98 Cb 0.58 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1qkb h GLN 98 CO 0.04 0.98 -0.17 -0.09 -0.67 0.00 0.00 178.83 178.92 1qkb h ARG 99 N 0.86 0.88 -0.77 1.46 2.43 -0.48 -0.61 114.38 118.15 1qkb h ARG 99 Ca 0.15 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1qkb h ARG 99 Cb 0.60 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 1qkb h ARG 99 CO 0.04 0.98 0.49 1.25 -1.51 0.00 0.00 179.97 181.21 1qkb h LEU 100 N 0.77 0.91 -0.67 3.80 5.85 -0.65 -2.99 115.31 122.33 1qkb h LEU 100 Ca 0.11 -0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.64 1qkb h LEU 100 Cb 0.70 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1qkb h LEU 100 CO 0.05 0.69 -0.59 0.00 -0.34 0.00 0.00 178.44 178.25 1qkb h ALA 101 N 1.26 0.86 -2.42 1.25 0.00 -0.84 -3.40 119.26 115.97 1qkb h ALA 101 Ca 0.28 -0.54 -0.53 0.00 0.00 0.00 0.00 54.91 54.12 1qkb h ALA 101 Cb -0.07 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.66 1qkb h ALA 101 CO -0.06 0.72 1.16 0.34 0.00 0.00 0.00 179.25 181.42 1qkb s ASP 102 N -6.89 6.46 0.51 0.00 -1.08 -0.28 -4.39 116.67 110.99 1qkb s ASP 102 Ca -0.04 2.67 0.18 0.00 -0.52 0.00 0.00 52.55 54.84 1qkb s ASP 102 Cb 0.12 -2.55 1.26 0.00 -1.46 0.00 0.00 42.92 40.29 1qkb s ASP 102 CO 0.80 -1.02 2.08 -0.65 0.52 0.00 0.00 175.17 176.90 1qkb h PRO 103 N 9.59 0.07 0.00 4.34 0.11 -1.86 -0.31 132.00 143.95 1qkb h PRO 103 Ca -0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1qkb h PRO 103 Cb 1.22 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1qkb h PRO 103 CO 0.94 0.05 -0.04 -0.91 -0.21 0.00 0.00 178.00 177.83 1qkb h ASN 104 N 0.08 0.00 1.27 -2.05 2.35 -1.93 -1.27 115.58 114.03 1qkb h ASN 104 Ca 0.11 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 1qkb h ASN 104 Cb 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1qkb h ASN 104 CO -0.01 0.04 -0.39 0.74 -1.65 0.00 0.00 177.43 176.16 1qkb h THR 105 N 0.00 0.75 -6.43 2.81 2.02 -1.30 -3.47 112.91 107.30 1qkb h THR 105 Ca -0.00 -1.78 -0.49 0.00 0.77 0.00 0.00 66.41 64.91 1qkb h THR 105 Cb 0.11 2.16 -0.06 0.00 -1.74 0.00 0.00 68.15 68.63 1qkb h THR 105 CO 0.01 0.38 -0.84 0.00 0.37 0.00 0.00 175.52 175.44 1qkb n ALA 106 N -2.23 -1.71 -1.77 6.16 0.00 -0.48 -4.90 120.51 115.59 1qkb n ALA 106 Ca 0.01 -0.10 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 1qkb n ALA 106 Cb 0.61 -2.60 -0.03 0.00 0.00 0.00 0.00 19.45 17.43 1qkb n ALA 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qkb s SER 107 N -3.93 6.92 0.58 0.00 0.15 -1.26 -4.89 113.70 111.27 1qkb s SER 107 Ca 0.29 2.37 0.36 0.00 0.70 0.00 0.00 55.95 59.68 1qkb s SER 107 Cb -0.15 -2.63 1.73 0.00 -1.71 0.00 0.00 66.02 63.26 1qkb s SER 107 CO 0.87 -0.40 2.12 1.55 1.20 0.00 0.00 173.24 178.58 1qkb h PRO 108 N 3.31 0.00 -0.51 5.44 0.13 -1.86 -2.16 132.00 136.35 1qkb h PRO 108 Ca -0.48 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 1qkb h PRO 108 Cb 1.22 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 1qkb h PRO 108 CO 0.65 0.02 0.13 0.66 -0.23 0.00 0.00 178.00 179.23 1qkb n TYR 109 N -3.16 1.68 -0.28 1.56 4.01 -1.26 -3.66 117.16 116.05 1qkb n TYR 109 Ca -0.01 -1.31 0.09 0.00 -0.16 0.00 0.00 57.90 56.51 1qkb n TYR 109 Cb 0.22 -0.55 0.33 0.00 -0.31 0.00 0.00 39.34 39.03 1qkb n TYR 109 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qkb h ALA 110 N 1.72 1.71 0.00 -0.72 0.00 -1.60 -1.49 119.26 118.88 1qkb h ALA 110 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1qkb h ALA 110 Cb 1.94 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1qkb h ALA 110 CO 0.53 0.08 0.00 0.43 0.00 0.00 0.00 179.25 180.29 1qkb n SER 111 N -4.55 0.00 0.04 0.00 7.64 -1.26 -2.68 113.62 112.81 1qkb n SER 111 Ca 0.16 0.19 0.04 0.00 1.01 0.00 0.00 58.87 60.28 1qkb n SER 111 Cb 0.38 -0.35 0.45 0.00 -1.01 0.00 0.00 64.21 63.68 1qkb n SER 111 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1qkb h TYR 112 N 0.00 0.44 0.00 1.43 3.20 -1.62 0.41 116.97 120.83 1qkb h TYR 112 Ca 0.00 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1qkb h TYR 112 Cb 0.17 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1qkb h TYR 112 CO 0.00 0.28 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.38 1qkb h LEU 113 N 0.48 0.00 -0.20 2.82 3.38 -1.71 -2.16 115.31 117.92 1qkb h LEU 113 Ca 0.13 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 1qkb h LEU 113 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1qkb h LEU 113 CO -0.03 0.35 -0.50 1.56 0.09 0.00 0.00 178.44 179.91 1qkb h GLN 114 N 0.00 0.69 -0.56 1.13 4.20 -1.25 -1.05 115.11 118.28 1qkb h GLN 114 Ca -0.00 -0.48 0.01 0.00 0.06 0.00 0.00 58.65 58.24 1qkb h GLN 114 Cb 0.94 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 1qkb h GLN 114 CO 0.05 1.10 0.37 1.88 -0.67 0.00 0.00 178.83 181.55 1qkb h TYR 115 N 0.39 0.69 -0.00 2.96 0.05 -0.70 -0.48 116.97 119.87 1qkb h TYR 115 Ca -0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1qkb h TYR 115 Cb 1.11 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.62 1qkb h TYR 115 CO 0.09 0.43 -0.32 0.41 -1.05 0.00 0.00 178.16 177.72 1qkb n GLY 116 N -1.45 -0.96 3.43 3.88 0.00 -0.84 -4.97 105.19 104.28 1qkb n GLY 116 Ca 0.05 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 1qkb n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qkb n HIS 117 N -1.07 -2.63 -1.94 1.61 8.25 -0.19 -4.85 115.22 114.40 1qkb n HIS 117 Ca 0.10 0.94 -0.41 0.00 -0.26 0.00 0.00 57.72 58.09 1qkb n HIS 117 Cb 0.33 -4.78 -0.01 0.00 1.12 0.00 0.00 29.99 26.65 1qkb n HIS 117 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1qkb s ILE 118 N -3.30 2.39 0.34 1.59 1.09 -0.65 -0.74 121.20 121.93 1qkb s ILE 118 Ca 0.49 0.37 -0.28 0.00 -1.10 0.00 0.00 60.65 60.13 1qkb s ILE 118 Cb -0.22 -3.23 -0.12 0.00 -1.06 0.00 0.00 42.46 37.82 1qkb s ILE 118 CO 0.68 0.08 1.24 0.00 -0.10 0.00 0.00 174.94 176.84 1qkb n ALA 119 N 1.32 1.05 -0.97 9.38 0.00 0.24 -2.56 120.51 128.98 1qkb n ALA 119 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1qkb n ALA 119 Cb 0.40 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1qkb n ALA 119 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qkb n ASN 120 N 0.82 -4.09 -0.17 0.00 3.02 -1.26 -1.13 115.26 112.45 1qkb n ASN 120 Ca 0.05 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.58 1qkb n ASN 120 Cb 0.35 -2.07 0.19 0.00 -0.61 0.00 0.00 39.78 37.64 1qkb n ASN 120 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1qkb h ILE 121 N 0.00 1.22 0.05 2.41 6.09 -1.85 -2.45 117.51 122.98 1qkb h ILE 121 Ca 0.00 -0.72 -0.00 0.00 -1.37 0.00 0.00 64.86 62.77 1qkb h ILE 121 Cb 0.49 0.51 -0.00 0.00 0.47 0.00 0.00 36.82 38.28 1qkb h ILE 121 CO 0.00 0.28 -0.04 0.44 -3.07 0.00 0.00 178.15 175.76 1qkb h ASP 122 N 0.89 -0.10 -0.60 2.19 3.32 -1.92 0.71 116.42 120.92 1qkb h ASP 122 Ca 0.21 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.28 1qkb h ASP 122 Cb 0.20 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1qkb h ASP 122 CO -0.02 -0.06 0.39 0.44 -1.72 0.00 0.00 179.24 178.27 1qkb h ASP 123 N -0.10 0.65 -0.17 6.45 5.19 -1.93 -0.29 116.42 126.23 1qkb h ASP 123 Ca -0.00 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.33 1qkb h ASP 123 Cb 0.09 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.44 1qkb h ASP 123 CO -0.00 0.46 -0.13 0.40 -3.12 0.00 0.00 179.24 176.85 1qkb h ILE 124 N 0.76 1.33 -0.57 0.35 2.04 -0.94 0.29 117.51 120.78 1qkb h ILE 124 Ca 0.23 -1.26 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 1qkb h ILE 124 Cb -0.02 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1qkb h ILE 124 CO -0.05 0.37 0.24 0.40 0.00 0.00 0.00 178.15 179.11 1qkb h ILE 125 N 0.04 1.20 0.00 -0.67 2.04 -0.29 -2.32 117.51 117.51 1qkb h ILE 125 Ca 0.03 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1qkb h ILE 125 Cb 0.65 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1qkb h ILE 125 CO 0.03 0.25 0.00 0.00 0.00 0.00 0.00 178.15 178.43 1qkb n ALA 126 N -2.45 2.63 -1.00 1.87 0.00 -0.17 -4.77 120.51 116.61 1qkb n ALA 126 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1qkb n ALA 126 Cb 0.15 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1qkb n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qkb n GLY 127 N 0.96 0.58 0.14 0.00 0.00 -0.87 -4.91 105.19 101.08 1qkb n GLY 127 Ca 0.22 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.27 1qkb n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qkb h LYS 128 N 1.35 0.00 -4.56 1.61 1.57 -0.66 -3.45 116.57 112.43 1qkb h LYS 128 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1qkb h LYS 128 Cb 0.03 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 32.09 1qkb h LYS 128 CO 0.00 0.44 -0.75 0.15 -0.57 0.00 0.00 179.45 178.72 1qkb s LYS 129 N -2.98 0.54 0.72 3.15 1.02 -0.95 -4.97 119.74 116.27 1qkb s LYS 129 Ca 0.04 -0.54 -0.14 0.00 0.02 0.00 0.00 55.97 55.35 1qkb s LYS 129 Cb 0.07 -0.41 0.03 0.00 -0.52 0.00 0.00 37.83 37.00 1qkb s LYS 129 CO 0.75 0.10 1.14 -1.25 -0.92 0.00 0.00 175.35 175.16 1qkb s PRO 130 N -0.97 2.38 0.56 -1.68 0.04 -1.26 -4.17 135.00 129.90 1qkb s PRO 130 Ca -0.04 1.48 0.25 0.00 0.04 0.00 0.00 61.00 62.73 1qkb s PRO 130 Cb -0.07 -1.89 1.61 0.00 0.04 0.00 0.00 34.50 34.20 1qkb s PRO 130 CO 0.00 -1.60 2.21 0.00 0.04 0.00 0.00 177.00 177.66 1qkb h ALA 131 N -0.39 1.68 0.00 8.56 0.00 -1.90 -1.10 119.26 126.10 1qkb h ALA 131 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1qkb h ALA 131 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1qkb h ALA 131 CO 0.51 0.01 0.00 0.25 0.00 0.00 0.00 179.25 180.02 1qkb n THR 132 N -4.08 0.28 1.45 0.00 -2.24 -1.26 -1.33 114.28 107.10 1qkb n THR 132 Ca -0.03 0.07 0.14 0.00 -2.27 0.00 0.00 64.05 61.96 1qkb n THR 132 Cb 0.09 -0.81 0.49 0.00 -2.10 0.00 0.00 70.33 68.00 1qkb n THR 132 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1qkb n ASP 133 N -1.14 1.59 -4.76 3.42 9.92 -0.42 -4.94 116.55 120.22 1qkb n ASP 133 Ca 0.10 -1.51 -0.40 0.00 -0.53 0.00 0.00 54.79 52.45 1qkb n ASP 133 Cb 0.09 0.01 0.02 0.00 -0.64 0.00 0.00 41.12 40.60 1qkb n ASP 133 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1qkb n LEU 134 N 0.22 5.16 -2.98 0.64 7.94 -0.44 -4.74 117.00 122.80 1qkb n LEU 134 Ca 0.18 1.12 -0.22 0.00 -1.11 0.00 0.00 56.01 55.99 1qkb n LEU 134 Cb 0.37 -1.61 -0.04 0.00 0.53 0.00 0.00 43.42 42.68 1qkb n LEU 134 CO 0.17 -0.14 2.28 0.61 -1.11 0.00 0.00 177.39 179.20 1qkb n GLY 135 N 0.57 3.12 3.06 -3.96 0.00 -0.29 -4.78 105.19 102.92 1qkb n GLY 135 Ca 0.05 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 1qkb n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qkb s VAL 136 N 2.83 0.80 0.04 1.61 -7.23 -1.26 -0.60 120.40 116.59 1qkb s VAL 136 Ca 0.45 -0.68 -0.15 0.00 -1.81 0.00 0.00 61.98 59.80 1qkb s VAL 136 Cb 0.14 -0.72 0.02 0.00 0.56 0.00 0.00 36.38 36.38 1qkb s VAL 136 CO -0.03 0.04 0.32 -1.59 -0.31 0.00 0.00 175.10 173.53 1qkb s LYS 137 N -0.71 0.81 -0.34 4.82 -2.85 -0.22 -5.01 119.74 116.24 1qkb s LYS 137 Ca 0.01 -0.44 -0.16 0.00 -1.00 0.00 0.00 55.97 54.38 1qkb s LYS 137 Cb -0.06 0.35 -0.01 0.00 -2.06 0.00 0.00 37.83 36.05 1qkb s LYS 137 CO 0.00 -0.26 0.38 0.00 0.10 0.00 0.00 175.35 175.58 1qkb s ALA 138 N -2.38 3.50 -0.04 0.59 0.00 -1.26 -0.88 121.76 121.29 1qkb s ALA 138 Ca -0.06 -1.17 0.15 0.00 0.00 0.00 0.00 51.96 50.88 1qkb s ALA 138 Cb -0.01 -2.84 0.17 0.00 0.00 0.00 0.00 23.12 20.44 1qkb s ALA 138 CO -0.02 -1.07 1.49 -0.07 0.00 0.00 0.00 175.76 176.09 1qkb h LEU 139 N 8.78 0.00 0.00 0.00 3.38 -1.41 -3.47 115.31 122.59 1qkb h LEU 139 Ca -0.30 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1qkb h LEU 139 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1qkb h LEU 139 CO 0.70 0.54 0.17 -0.90 0.09 0.00 0.00 178.44 179.04 1qkb n ASP 140 N -3.31 -1.21 0.29 -0.43 5.68 -1.24 -4.98 116.55 111.35 1qkb n ASP 140 Ca 0.01 -1.82 0.15 0.00 -0.50 0.00 0.00 54.79 52.63 1qkb n ASP 140 Cb 0.71 2.02 0.89 0.00 -1.14 0.00 0.00 41.12 43.60 1qkb n ASP 140 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1qkb h ASP 141 N 1.07 0.00 -0.08 -1.12 3.32 -1.99 -2.97 116.42 114.65 1qkb h ASP 141 Ca -0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1qkb h ASP 141 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1qkb h ASP 141 CO 0.23 0.03 0.00 1.41 -1.72 0.00 0.00 179.24 179.19 1qkb n HIS 142 N -3.71 0.26 -3.72 4.55 8.25 -1.26 -0.74 115.22 118.85 1qkb n HIS 142 Ca -0.03 -0.91 -0.26 0.00 -0.26 0.00 0.00 57.72 56.27 1qkb n HIS 142 Cb 0.13 -0.18 -0.17 0.00 1.12 0.00 0.00 29.99 30.89 1qkb n HIS 142 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1qkb s THR 143 N -2.66 0.35 -0.18 1.59 2.01 -1.12 0.35 115.64 115.98 1qkb s THR 143 Ca 0.32 -0.23 -0.04 0.00 0.31 0.00 0.00 61.69 62.04 1qkb s THR 143 Cb 0.27 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 1qkb s THR 143 CO 0.05 -0.05 -0.03 0.12 -0.69 0.00 0.00 174.62 174.02 1qkb s PHE 144 N 1.95 3.01 -0.14 4.92 5.36 -0.27 -0.93 117.98 131.88 1qkb s PHE 144 Ca 0.02 -0.47 0.01 0.00 -0.96 0.00 0.00 56.93 55.53 1qkb s PHE 144 Cb -0.15 -2.03 0.00 0.00 -0.34 0.00 0.00 43.02 40.50 1qkb s PHE 144 CO -0.07 -0.20 -0.18 -2.00 -1.46 0.00 0.00 175.22 171.30 1qkb s GLU 145 N 0.80 3.15 -0.11 10.12 2.12 -0.05 -0.61 118.70 134.10 1qkb s GLU 145 Ca -0.01 -0.79 0.01 0.00 0.36 0.00 0.00 54.97 54.54 1qkb s GLU 145 Cb -0.14 -2.54 -0.01 0.00 0.26 0.00 0.00 34.13 31.69 1qkb s GLU 145 CO 0.02 0.03 -0.14 0.08 -0.54 0.00 0.00 175.26 174.70 1qkb s VAL 146 N 0.75 2.94 -0.19 3.70 1.01 0.81 -1.05 120.40 128.37 1qkb s VAL 146 Ca -0.07 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 1qkb s VAL 146 Cb -0.16 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1qkb s VAL 146 CO 0.00 0.54 -0.11 -0.89 0.00 0.00 0.00 175.10 174.64 1qkb s THR 147 N 0.19 2.86 0.24 3.92 2.01 0.24 -0.24 115.64 124.85 1qkb s THR 147 Ca -0.09 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.28 1qkb s THR 147 Cb -0.15 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 1qkb s THR 147 CO 0.05 0.48 0.37 -0.76 -0.69 0.00 0.00 174.62 174.07 1qkb s LEU 148 N 1.25 4.28 0.00 4.42 1.43 0.71 -0.59 118.68 130.19 1qkb s LEU 148 Ca 0.03 0.15 0.27 0.00 -1.03 0.00 0.00 54.13 53.55 1qkb s LEU 148 Cb -0.14 -2.94 0.92 0.00 0.03 0.00 0.00 46.19 44.06 1qkb s LEU 148 CO -0.05 -0.08 1.69 -1.54 0.23 0.00 0.00 176.35 176.60 1qkb n SER 149 N -1.28 0.35 -3.48 2.29 3.41 0.08 -4.70 113.62 110.29 1qkb n SER 149 Ca -0.08 -0.10 -0.12 0.00 -0.26 0.00 0.00 58.87 58.32 1qkb n SER 149 Cb 0.56 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1qkb n SER 149 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1qkb s GLU 150 N -2.86 1.22 0.18 4.33 -1.05 -1.26 -5.09 118.70 114.16 1qkb s GLU 150 Ca 0.16 -0.50 -0.32 0.00 -0.15 0.00 0.00 54.97 54.17 1qkb s GLU 150 Cb 0.19 0.56 -0.11 0.00 -0.44 0.00 0.00 34.13 34.32 1qkb s GLU 150 CO 0.59 -0.51 1.68 -2.14 0.95 0.00 0.00 175.26 175.82 1qkb s PRO 151 N -3.65 4.16 -0.38 -4.83 0.02 -1.26 -4.66 135.00 124.40 1qkb s PRO 151 Ca 0.01 2.51 0.01 0.00 0.02 0.00 0.00 61.00 63.55 1qkb s PRO 151 Cb -0.00 -3.17 0.13 0.00 0.02 0.00 0.00 34.50 31.48 1qkb s PRO 151 CO -0.12 -0.71 0.21 0.08 -0.33 0.00 0.00 177.00 176.13 1qkb s VAL 152 N 1.37 0.83 0.46 3.83 1.01 -0.58 -4.90 120.40 122.42 1qkb s VAL 152 Ca 0.74 -2.03 0.16 0.00 0.00 0.00 0.00 61.98 60.84 1qkb s VAL 152 Cb -0.47 -1.60 0.21 0.00 0.00 0.00 0.00 36.38 34.52 1qkb s VAL 152 CO 0.32 -0.89 2.03 -0.65 0.00 0.00 0.00 175.10 175.91 1qkb h PRO 153 N 7.08 0.00 -0.59 2.72 0.11 -1.94 -1.97 132.00 137.41 1qkb h PRO 153 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1qkb h PRO 153 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1qkb h PRO 153 CO 0.40 0.14 0.00 2.48 -0.21 0.00 0.00 178.00 180.82 1qkb n TYR 154 N -4.32 0.93 -0.19 0.65 0.18 -1.26 -4.63 117.16 108.52 1qkb n TYR 154 Ca -0.03 -0.38 0.00 0.00 1.88 0.00 0.00 57.90 59.38 1qkb n TYR 154 Cb 0.21 -0.16 0.10 0.00 -0.38 0.00 0.00 39.34 39.12 1qkb n TYR 154 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 1qkb h PHE 155 N 2.66 0.20 -0.01 -3.48 3.57 -1.74 0.12 116.94 118.26 1qkb h PHE 155 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1qkb h PHE 155 Cb 0.98 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 1qkb h PHE 155 CO 0.48 -0.03 0.01 0.10 -2.23 0.00 0.00 178.31 176.65 1qkb h TYR 156 N 0.26 0.00 0.00 0.41 -0.00 -1.84 -1.06 116.97 114.73 1qkb h TYR 156 Ca 0.31 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 59.01 1qkb h TYR 156 Cb 0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.17 1qkb h TYR 156 CO -0.25 0.00 -0.10 0.87 -0.00 0.00 0.00 178.16 178.68 1qkb h LYS 157 N 0.00 0.00 -0.04 0.10 1.57 -1.32 -2.08 116.57 114.80 1qkb h LYS 157 Ca 0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1qkb h LYS 157 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1qkb h LYS 157 CO -0.00 0.10 -0.23 -0.07 -0.57 0.00 0.00 179.45 178.69 1qkb h LEU 158 N 0.00 0.06 0.00 2.94 4.07 -1.28 -3.34 115.31 117.76 1qkb h LEU 158 Ca -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1qkb h LEU 158 Cb 0.19 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1qkb h LEU 158 CO 0.01 0.29 0.00 0.18 -1.08 0.00 0.00 178.44 177.85 1qkb n LEU 159 N -4.24 0.00 -0.00 1.67 4.77 -0.78 -2.80 117.00 115.61 1qkb n LEU 159 Ca -0.02 0.08 0.13 0.00 -0.03 0.00 0.00 56.01 56.18 1qkb n LEU 159 Cb 0.30 -0.08 0.50 0.00 -2.33 0.00 0.00 43.42 41.80 1qkb n LEU 159 CO 0.38 -0.04 0.79 1.33 -1.33 0.00 0.00 177.39 178.51 1qkb n VAL 160 N -1.08 0.00 -2.48 4.08 0.24 -1.25 -4.04 118.33 113.79 1qkb n VAL 160 Ca 0.10 -0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 62.02 1qkb n VAL 160 Cb 0.07 -0.25 -0.04 0.00 -1.47 0.00 0.00 33.84 32.15 1qkb n VAL 160 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1qkb s HIS 161 N -3.00 3.35 0.41 6.34 5.04 -1.12 -4.91 115.29 121.40 1qkb s HIS 161 Ca 0.13 1.65 0.10 0.00 -1.54 0.00 0.00 55.06 55.41 1qkb s HIS 161 Cb 0.18 -3.22 0.91 0.00 0.04 0.00 0.00 32.58 30.50 1qkb s HIS 161 CO 0.59 -0.70 1.98 -1.35 -2.34 0.00 0.00 174.74 172.92 1qkb h PRO 162 N 3.00 0.52 -0.11 2.88 0.11 -1.91 -2.49 132.00 134.01 1qkb h PRO 162 Ca -0.48 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.63 1qkb h PRO 162 Cb 1.22 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1qkb h PRO 162 CO 0.64 0.35 0.10 0.66 -0.21 0.00 0.00 178.00 179.54 1qkb h SER 163 N 0.54 0.00 -0.49 -2.05 4.64 -1.93 -0.88 113.55 113.38 1qkb h SER 163 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1qkb h SER 163 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1qkb h SER 163 CO -0.09 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.20 1qkb n VAL 164 N -4.04 2.19 -2.47 0.95 0.24 -0.94 -4.80 118.33 109.46 1qkb n VAL 164 Ca -0.00 -1.44 -0.33 0.00 -2.04 0.00 0.00 64.34 60.53 1qkb n VAL 164 Cb 0.21 -0.07 -0.04 0.00 -1.47 0.00 0.00 33.84 32.47 1qkb n VAL 164 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1qkb s SER 165 N -1.17 6.53 0.47 -1.34 0.01 -0.34 -4.59 113.70 113.27 1qkb s SER 165 Ca 0.47 1.69 -0.21 0.00 1.31 0.00 0.00 55.95 59.21 1qkb s SER 165 Cb 0.34 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.96 1qkb s SER 165 CO 0.17 -0.65 1.04 -2.16 0.41 0.00 0.00 173.24 172.05 1qkb s PRO 166 N -3.72 3.87 0.09 12.44 0.04 -1.26 -4.88 135.00 141.59 1qkb s PRO 166 Ca 0.62 1.40 0.08 0.00 0.04 0.00 0.00 61.00 63.14 1qkb s PRO 166 Cb -0.12 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1qkb s PRO 166 CO 0.26 -0.38 -0.21 0.14 0.04 0.00 0.00 177.00 176.85 1qkb s VAL 167 N -1.90 1.71 -0.53 -0.36 -7.23 -1.26 -4.84 120.40 105.99 1qkb s VAL 167 Ca 0.65 -1.48 -0.27 0.00 -1.81 0.00 0.00 61.98 59.07 1qkb s VAL 167 Cb -0.18 -1.54 0.03 0.00 0.56 0.00 0.00 36.38 35.25 1qkb s VAL 167 CO 0.22 -0.01 1.10 -2.16 -0.31 0.00 0.00 175.10 173.94 1qkb s PRO 168 N -1.76 3.55 0.21 4.82 0.04 -1.26 -4.76 135.00 135.84 1qkb s PRO 168 Ca 0.07 0.25 -0.09 0.00 0.04 0.00 0.00 61.00 61.27 1qkb s PRO 168 Cb -0.10 -3.98 0.30 0.00 0.04 0.00 0.00 34.50 30.77 1qkb s PRO 168 CO 0.04 -1.50 1.72 -0.22 0.04 0.00 0.00 177.00 177.08 1qkb h LYS 169 N 9.35 0.31 -0.63 4.56 3.64 -1.99 -1.93 116.57 129.88 1qkb h LYS 169 Ca -0.24 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 1qkb h LYS 169 Cb 1.06 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 1qkb h LYS 169 CO 1.13 0.20 0.29 0.66 -2.27 0.00 0.00 179.45 179.46 1qkb h SER 170 N 0.32 0.81 -0.24 4.20 4.64 -1.99 -0.48 113.55 120.80 1qkb h SER 170 Ca 0.32 -0.09 -0.19 0.00 -0.47 0.00 0.00 61.79 61.36 1qkb h SER 170 Cb 0.46 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1qkb h SER 170 CO -0.37 0.70 -0.58 0.00 -0.87 0.00 0.00 176.83 175.71 1qkb h ALA 171 N 1.43 0.40 -0.11 5.18 0.00 -1.77 -1.85 119.26 122.53 1qkb h ALA 171 Ca 0.22 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1qkb h ALA 171 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1qkb h ALA 171 CO -0.03 0.63 0.06 0.28 0.00 0.00 0.00 179.25 180.20 1qkb h VAL 172 N 0.58 1.09 -0.25 0.00 2.07 -0.88 -0.41 116.25 118.46 1qkb h VAL 172 Ca -0.00 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.13 1qkb h VAL 172 Cb 1.19 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1qkb h VAL 172 CO 0.13 0.08 -0.36 -0.33 0.02 0.00 0.00 177.57 177.12 1qkb h GLU 173 N 0.08 0.55 0.15 1.57 5.08 -1.12 0.11 114.58 120.99 1qkb h GLU 173 Ca 0.04 -0.26 -0.30 0.00 -1.00 0.00 0.00 59.36 57.85 1qkb h GLU 173 Cb 0.08 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.35 1qkb h GLU 173 CO -0.01 0.82 -1.28 -0.22 -1.00 0.00 0.00 179.01 177.33 1qkb h LYS 174 N 0.46 0.52 -0.01 2.33 3.64 -1.23 -3.38 116.57 118.91 1qkb h LYS 174 Ca 0.05 -0.76 0.00 0.00 -1.27 0.00 0.00 60.65 58.67 1qkb h LYS 174 Cb 0.83 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1qkb h LYS 174 CO 0.07 1.34 -0.26 1.19 -2.27 0.00 0.00 179.45 179.52 1qkb n PHE 175 N -3.72 0.00 -0.89 1.91 3.72 -0.17 -5.07 117.46 113.23 1qkb n PHE 175 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1qkb n PHE 175 Cb 1.01 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.55 1qkb n PHE 175 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qkb n GLY 176 N 1.06 3.29 0.00 1.37 0.00 0.37 -1.87 105.19 109.41 1qkb n GLY 176 Ca 0.06 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.03 1qkb n GLY 176 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qkb n ASP 177 N 3.52 0.00 -1.54 1.61 5.68 -1.26 -1.90 116.55 122.65 1qkb n ASP 177 Ca 0.00 -0.07 0.10 0.00 -0.50 0.00 0.00 54.79 54.32 1qkb n ASP 177 Cb 0.00 -0.23 0.35 0.00 -1.14 0.00 0.00 41.12 40.11 1qkb n ASP 177 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1qkb n LYS 178 N -1.23 3.52 0.28 0.11 4.76 -0.78 -4.47 118.16 120.35 1qkb n LYS 178 Ca 0.09 -2.85 0.16 0.00 -2.87 0.00 0.00 58.31 52.84 1qkb n LYS 178 Cb 0.12 -1.82 0.83 0.00 -1.84 0.00 0.00 35.03 32.31 1qkb n LYS 178 CO 0.00 0.00 0.00 0.11 -1.37 0.00 0.00 177.40 176.14 1qkb h TRP 179 N 4.16 0.00 -0.08 2.13 5.08 -1.49 -2.20 115.95 123.55 1qkb h TRP 179 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1qkb h TRP 179 Cb 1.35 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.51 1qkb h TRP 179 CO 0.71 0.07 0.00 0.25 -1.28 0.00 0.00 178.44 178.19 1qkb n THR 180 N -3.44 0.10 -1.92 0.12 -2.24 -1.26 -1.78 114.28 103.85 1qkb n THR 180 Ca -0.02 -0.30 -0.35 0.00 -2.27 0.00 0.00 64.05 61.12 1qkb n THR 180 Cb 0.21 0.46 0.04 0.00 -2.10 0.00 0.00 70.33 68.94 1qkb n THR 180 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1qkb s GLN 181 N -1.90 2.89 0.35 -0.78 -1.52 -0.83 -4.65 119.66 113.22 1qkb s GLN 181 Ca 0.35 1.67 0.08 0.00 -1.95 0.00 0.00 55.36 55.51 1qkb s GLN 181 Cb 0.19 -1.94 0.78 0.00 -0.22 0.00 0.00 33.01 31.83 1qkb s GLN 181 CO 0.30 -1.23 1.88 -1.35 -0.25 0.00 0.00 175.29 174.64 1qkb h PRO 182 N 0.58 0.71 0.00 2.91 0.11 -1.89 0.11 132.00 134.53 1qkb h PRO 182 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1qkb h PRO 182 Cb 1.28 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1qkb h PRO 182 CO 0.54 0.47 0.00 0.00 -0.21 0.00 0.00 178.00 178.81 1qkb h ALA 183 N 1.59 1.00 0.00 -0.75 0.00 -1.92 -3.33 119.26 115.85 1qkb h ALA 183 Ca 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.23 1qkb h ALA 183 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1qkb h ALA 183 CO -0.20 0.00 -1.51 0.09 0.00 0.00 0.00 179.25 177.64 1qkb n ASN 184 N -2.89 3.04 -4.75 0.00 3.02 -0.23 -5.05 115.26 108.40 1qkb n ASN 184 Ca 0.02 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.21 1qkb n ASN 184 Cb 0.37 0.87 0.04 0.00 -0.61 0.00 0.00 39.78 40.44 1qkb n ASN 184 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1qkb s ILE 185 N -2.29 2.52 -0.06 2.41 2.07 0.21 -4.89 121.20 121.16 1qkb s ILE 185 Ca -0.04 0.32 0.01 0.00 -1.41 0.00 0.00 60.65 59.53 1qkb s ILE 185 Cb 0.03 -3.13 0.02 0.00 0.13 0.00 0.00 42.46 39.51 1qkb s ILE 185 CO 0.33 -0.07 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.54 1qkb s VAL 186 N -1.55 0.78 0.18 4.00 1.01 -1.26 -5.00 120.40 118.56 1qkb s VAL 186 Ca 0.78 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.59 1qkb s VAL 186 Cb -0.32 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 1qkb s VAL 186 CO 0.34 0.29 -0.13 0.42 0.00 0.00 0.00 175.10 176.02 1qkb s THR 187 N 1.06 1.50 0.00 3.92 -4.23 -1.26 -4.69 115.64 111.94 1qkb s THR 187 Ca -0.08 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.31 1qkb s THR 187 Cb -0.14 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1qkb s THR 187 CO -0.01 -0.64 0.70 -0.46 -0.54 0.00 0.00 174.62 173.68 1qkb n ASN 188 N -0.24 1.29 -2.02 3.99 6.94 -0.79 0.32 115.26 124.74 1qkb n ASN 188 Ca -0.09 -1.47 0.00 0.00 -0.02 0.00 0.00 54.58 52.99 1qkb n ASN 188 Cb 0.60 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 1qkb n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qkb n GLY 189 N -0.24 -0.34 0.30 4.83 0.00 0.62 -4.42 105.19 105.93 1qkb n GLY 189 Ca 0.00 -1.78 0.18 0.00 0.00 0.00 0.00 46.02 44.42 1qkb n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qkb h ALA 190 N -1.40 1.11 -1.98 4.61 0.00 -1.81 -3.42 119.26 116.37 1qkb h ALA 190 Ca 0.00 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 54.31 1qkb h ALA 190 Cb 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 1qkb h ALA 190 CO 0.00 0.05 -0.67 0.71 0.00 0.00 0.00 179.25 179.33 1qkb s TYR 191 N -4.06 2.22 0.15 0.00 2.02 -0.47 -0.68 117.35 116.54 1qkb s TYR 191 Ca -0.03 -0.60 0.07 0.00 -0.37 0.00 0.00 57.07 56.14 1qkb s TYR 191 Cb 0.12 -1.29 -0.04 0.00 -0.40 0.00 0.00 41.96 40.35 1qkb s TYR 191 CO 0.51 0.44 -0.15 0.15 -1.57 0.00 0.00 175.55 174.92 1qkb s LYS 192 N -3.67 1.16 -0.15 -0.62 1.02 0.17 -4.47 119.74 113.17 1qkb s LYS 192 Ca 0.32 -1.36 -0.29 0.00 0.02 0.00 0.00 55.97 54.66 1qkb s LYS 192 Cb 0.03 -1.07 -0.00 0.00 -0.52 0.00 0.00 37.83 36.27 1qkb s LYS 192 CO 0.15 0.20 1.00 -1.17 -0.92 0.00 0.00 175.35 174.61 1qkb s LEU 193 N -2.69 4.19 -0.21 3.17 2.96 -1.26 -0.74 118.68 124.11 1qkb s LEU 193 Ca 0.14 1.45 -0.16 0.00 -0.22 0.00 0.00 54.13 55.34 1qkb s LEU 193 Cb -0.04 -3.52 -0.10 0.00 0.50 0.00 0.00 46.19 43.03 1qkb s LEU 193 CO 0.05 -0.52 -0.20 1.17 -1.32 0.00 0.00 176.35 175.53 1qkb n LYS 194 N 5.46 0.54 -3.98 1.98 4.81 -0.11 -4.83 118.16 122.03 1qkb n LYS 194 Ca 0.09 0.37 -0.11 0.00 -0.87 0.00 0.00 58.31 57.80 1qkb n LYS 194 Cb 0.48 -1.57 -0.12 0.00 0.02 0.00 0.00 35.03 33.84 1qkb n LYS 194 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1qkb s ASN 195 N -6.54 0.30 -0.27 3.14 0.01 -0.85 -4.88 114.94 105.85 1qkb s ASN 195 Ca -0.29 -0.37 -0.02 0.00 -0.71 0.00 0.00 52.86 51.46 1qkb s ASN 195 Cb 0.07 0.06 0.11 0.00 0.41 0.00 0.00 41.25 41.91 1qkb s ASN 195 CO 0.44 -0.20 0.23 0.86 -1.51 0.00 0.00 177.10 176.91 1qkb s TRP 196 N -1.05 -0.19 -0.35 2.20 -0.00 -1.26 -0.20 118.94 118.08 1qkb s TRP 196 Ca -0.11 -0.27 -0.04 0.00 -0.00 0.00 0.00 56.10 55.68 1qkb s TRP 196 Cb -0.07 -0.56 0.07 0.00 -0.00 0.00 0.00 33.47 32.90 1qkb s TRP 196 CO -0.01 -0.81 0.11 0.08 -0.00 0.00 0.00 176.95 176.32 1qkb s VAL 197 N 2.28 3.36 0.15 5.86 1.01 -0.22 -5.02 120.40 127.80 1qkb s VAL 197 Ca 0.08 -1.53 -0.34 0.00 0.00 0.00 0.00 61.98 60.19 1qkb s VAL 197 Cb -0.15 -3.05 -0.14 0.00 0.00 0.00 0.00 36.38 33.04 1qkb s VAL 197 CO -0.28 -0.33 1.53 0.52 0.00 0.00 0.00 175.10 176.53 1qkb n VAL 198 N 4.68 0.00 -1.34 2.92 0.31 -1.26 -0.94 118.33 122.70 1qkb n VAL 198 Ca -0.09 -0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.12 1qkb n VAL 198 Cb 0.43 -1.39 -0.05 0.00 -0.91 0.00 0.00 33.84 31.91 1qkb n VAL 198 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1qkb n ASN 199 N 3.25 -4.76 0.06 4.52 3.02 -1.26 -4.77 115.26 115.31 1qkb n ASN 199 Ca 0.17 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 55.02 1qkb n ASN 199 Cb 0.27 -3.30 0.00 0.00 -0.61 0.00 0.00 39.78 36.14 1qkb n ASN 199 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1qkb n GLU 200 N -2.21 0.00 -3.52 3.52 2.13 -0.12 -4.91 120.64 115.54 1qkb n GLU 200 Ca -0.12 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.61 1qkb n GLU 200 Cb 0.44 -0.17 -0.03 0.00 0.27 0.00 0.00 31.44 31.96 1qkb n GLU 200 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1qkb s ARG 201 N -1.60 0.81 -0.16 5.31 1.70 -0.57 -4.39 118.95 120.05 1qkb s ARG 201 Ca 0.00 -0.18 0.01 0.00 -0.47 0.00 0.00 55.73 55.09 1qkb s ARG 201 Cb 0.00 0.37 0.01 0.00 -0.57 0.00 0.00 34.95 34.76 1qkb s ARG 201 CO 0.00 -0.33 -0.19 0.42 -1.08 0.00 0.00 175.30 174.12 1qkb s ILE 202 N -2.62 2.26 -0.16 4.99 1.01 -0.03 -1.06 121.20 125.59 1qkb s ILE 202 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1qkb s ILE 202 Cb -0.01 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.53 1qkb s ILE 202 CO -0.06 0.53 -0.15 -0.69 0.00 0.00 0.00 174.94 174.57 1qkb s VAL 203 N 0.98 2.63 0.05 2.92 1.01 0.72 -0.07 120.40 128.63 1qkb s VAL 203 Ca -0.03 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1qkb s VAL 203 Cb -0.15 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1qkb s VAL 203 CO -0.05 0.51 -0.05 -0.76 0.00 0.00 0.00 175.10 174.76 1qkb s LEU 204 N 0.93 3.25 0.09 3.92 1.43 0.56 -0.93 118.68 127.94 1qkb s LEU 204 Ca -0.03 -0.20 0.07 0.00 -1.03 0.00 0.00 54.13 52.94 1qkb s LEU 204 Cb -0.15 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1qkb s LEU 204 CO -0.02 0.22 -0.18 -1.83 0.23 0.00 0.00 176.35 174.78 1qkb s GLU 205 N -1.89 1.01 0.24 1.70 -1.05 0.09 -1.50 118.70 117.30 1qkb s GLU 205 Ca 0.21 -1.10 -0.29 0.00 -0.15 0.00 0.00 54.97 53.64 1qkb s GLU 205 Cb -0.11 -1.14 -0.15 0.00 -0.44 0.00 0.00 34.13 32.28 1qkb s GLU 205 CO 0.12 0.26 0.87 -2.13 0.95 0.00 0.00 175.26 175.33 1qkb n ARG 206 N 1.10 0.85 -3.45 -4.83 0.63 -0.46 0.42 116.66 110.92 1qkb n ARG 206 Ca -0.20 0.30 -0.43 0.00 -0.92 0.00 0.00 57.85 56.60 1qkb n ARG 206 Cb 0.54 -1.57 -0.08 0.00 0.45 0.00 0.00 32.46 31.80 1qkb n ARG 206 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1qkb s ASN 207 N -0.62 6.00 0.47 6.15 2.47 0.15 -4.55 114.94 125.01 1qkb s ASN 207 Ca 0.63 -1.40 0.32 0.00 0.42 0.00 0.00 52.86 52.83 1qkb s ASN 207 Cb -0.81 -2.13 1.52 0.00 -1.45 0.00 0.00 41.25 38.38 1qkb s ASN 207 CO 0.58 -0.63 1.96 -0.65 -3.72 0.00 0.00 177.10 174.64 1qkb h PRO 208 N 8.66 0.00 0.00 0.43 0.11 -1.92 -2.10 132.00 137.18 1qkb h PRO 208 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1qkb h PRO 208 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1qkb h PRO 208 CO 0.85 0.00 -0.18 1.04 -0.21 0.00 0.00 178.00 179.50 1qkb n GLN 209 N -2.72 0.16 -1.68 1.05 1.13 -1.26 -4.86 117.38 109.19 1qkb n GLN 209 Ca -0.00 0.10 -0.45 0.00 -1.94 0.00 0.00 57.00 54.71 1qkb n GLN 209 Cb 0.17 -1.65 -0.03 0.00 0.11 0.00 0.00 30.24 28.84 1qkb n GLN 209 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1qkb n TYR 210 N -1.91 2.31 -0.20 1.08 9.36 -0.79 -4.22 117.16 122.79 1qkb n TYR 210 Ca 0.06 0.31 0.12 0.00 3.32 0.00 0.00 57.90 61.71 1qkb n TYR 210 Cb 0.39 -2.53 0.43 0.00 -0.63 0.00 0.00 39.34 37.00 1qkb n TYR 210 CO 0.00 0.00 0.00 0.11 0.22 0.00 0.00 176.86 177.19 1qkb h TRP 211 N 5.26 0.67 -0.61 2.98 5.08 -1.85 -0.70 115.95 126.78 1qkb h TRP 211 Ca -0.45 0.02 -0.05 0.00 1.08 0.00 0.00 58.89 59.49 1qkb h TRP 211 Cb 1.26 -0.21 -0.03 0.00 -3.00 0.00 0.00 29.16 27.17 1qkb h TRP 211 CO 0.60 0.27 0.07 -3.47 -1.28 0.00 0.00 178.44 174.63 1qkb n ASP 212 N -4.51 5.51 -0.30 0.11 2.03 -1.26 -4.70 116.55 113.43 1qkb n ASP 212 Ca 0.15 -3.01 0.19 0.00 0.52 0.00 0.00 54.79 52.63 1qkb n ASP 212 Cb 0.44 -0.70 0.47 0.00 -0.72 0.00 0.00 41.12 40.61 1qkb n ASP 212 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1qkb h ASN 213 N 3.64 0.50 -0.04 1.67 -1.24 -1.43 -1.53 115.58 117.15 1qkb h ASN 213 Ca 0.07 0.07 0.01 0.00 0.71 0.00 0.00 56.30 57.16 1qkb h ASN 213 Cb 2.07 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 41.10 1qkb h ASN 213 CO 0.55 0.16 0.03 0.00 -1.29 0.00 0.00 177.43 176.89 1qkb h ALA 214 N 1.62 1.78 -0.00 1.57 0.00 -1.84 -0.84 119.26 121.55 1qkb h ALA 214 Ca 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1qkb h ALA 214 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1qkb h ALA 214 CO -0.26 -0.05 -0.32 1.63 0.00 0.00 0.00 179.25 180.24 1qkb n LYS 215 N -4.14 0.48 -2.35 0.00 5.02 -0.58 -4.88 118.16 111.70 1qkb n LYS 215 Ca -0.02 -0.26 -0.41 0.00 -2.02 0.00 0.00 58.31 55.60 1qkb n LYS 215 Cb 0.13 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1qkb n LYS 215 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1qkb s THR 216 N -2.70 3.43 -0.12 -0.18 2.01 -0.32 -0.27 115.64 117.50 1qkb s THR 216 Ca 0.19 1.26 -0.05 0.00 0.31 0.00 0.00 61.69 63.41 1qkb s THR 216 Cb 0.19 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 1qkb s THR 216 CO 0.58 0.23 -0.14 0.52 -0.69 0.00 0.00 174.62 175.12 1qkb n VAL 217 N 2.11 0.64 -2.17 3.82 0.31 -1.26 -4.93 118.33 116.85 1qkb n VAL 217 Ca 0.03 -0.18 -0.42 0.00 -0.01 0.00 0.00 64.34 63.76 1qkb n VAL 217 Cb 0.44 -1.51 -0.03 0.00 -0.91 0.00 0.00 33.84 31.83 1qkb n VAL 217 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1qkb s ILE 218 N -2.21 3.42 -0.08 2.52 -1.09 -1.26 -4.85 121.20 117.65 1qkb s ILE 218 Ca -0.16 0.95 0.14 0.00 -2.23 0.00 0.00 60.65 59.35 1qkb s ILE 218 Cb 0.06 -3.61 -0.15 0.00 -1.58 0.00 0.00 42.46 37.18 1qkb s ILE 218 CO 0.21 0.04 0.89 0.78 -1.23 0.00 0.00 174.94 175.63 1qkb h ASN 219 N 7.29 0.00 -3.44 3.58 2.35 -1.07 -3.43 115.58 120.87 1qkb h ASN 219 Ca -0.41 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.21 1qkb h ASN 219 Cb 1.20 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 39.30 1qkb h ASN 219 CO 0.88 0.75 -0.32 -1.58 -1.65 0.00 0.00 177.43 175.51 1qkb s GLN 220 N -2.80 0.38 -0.01 0.81 0.74 -1.20 -1.35 119.66 116.23 1qkb s GLN 220 Ca -0.02 0.67 0.05 0.00 0.05 0.00 0.00 55.36 56.11 1qkb s GLN 220 Cb 0.08 0.03 -0.01 0.00 1.10 0.00 0.00 33.01 34.21 1qkb s GLN 220 CO 0.81 -0.13 -0.17 0.54 -0.55 0.00 0.00 175.29 175.79 1qkb s VAL 221 N 1.02 1.34 -0.09 1.34 0.11 -0.56 -1.54 120.40 122.02 1qkb s VAL 221 Ca -0.07 -0.73 0.02 0.00 -2.93 0.00 0.00 61.98 58.28 1qkb s VAL 221 Cb -0.07 -1.11 -0.02 0.00 -1.53 0.00 0.00 36.38 33.65 1qkb s VAL 221 CO -0.08 0.38 -0.15 -0.89 -3.33 0.00 0.00 175.10 171.02 1qkb s THR 222 N -0.40 2.89 -0.18 5.04 2.01 -0.05 -0.32 115.64 124.63 1qkb s THR 222 Ca 0.07 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 1qkb s THR 222 Cb -0.07 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 1qkb s THR 222 CO -0.01 0.56 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.12 1qkb s TYR 223 N -0.10 2.97 0.21 4.92 2.02 0.90 -0.32 117.35 127.95 1qkb s TYR 223 Ca -0.02 -0.55 0.05 0.00 -0.37 0.00 0.00 57.07 56.17 1qkb s TYR 223 Cb -0.14 -2.00 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 1qkb s TYR 223 CO 0.04 -0.24 0.27 -0.51 -1.57 0.00 0.00 175.55 173.54 1qkb s LEU 224 N 0.77 4.14 -0.55 -1.29 1.43 -0.21 -0.85 118.68 122.12 1qkb s LEU 224 Ca -0.02 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1qkb s LEU 224 Cb -0.15 -2.69 0.44 0.00 0.03 0.00 0.00 46.19 43.82 1qkb s LEU 224 CO 0.02 -0.01 1.72 -0.81 0.23 0.00 0.00 176.35 177.49 1qkb n PRO 225 N -0.99 3.03 -2.83 1.29 -0.04 -1.26 0.59 135.00 134.80 1qkb n PRO 225 Ca -0.08 -3.66 -0.42 0.00 -0.04 0.00 0.00 63.50 59.30 1qkb n PRO 225 Cb 0.56 -2.28 -0.04 0.00 -0.04 0.00 0.00 33.50 31.70 1qkb n PRO 225 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1qkb s ILE 226 N -4.82 4.66 -0.57 0.52 1.01 -1.26 -3.95 121.20 116.79 1qkb s ILE 226 Ca 0.58 1.31 0.23 0.00 0.00 0.00 0.00 60.65 62.78 1qkb s ILE 226 Cb 0.47 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1qkb s ILE 226 CO -0.04 -0.40 1.13 -1.54 0.00 0.00 0.00 174.94 174.09 1qkb n SER 227 N 6.55 0.66 -4.62 3.58 3.41 -1.16 -3.83 113.62 118.21 1qkb n SER 227 Ca 0.07 -0.02 -0.43 0.00 -0.26 0.00 0.00 58.87 58.23 1qkb n SER 227 Cb 0.48 0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 64.94 1qkb n SER 227 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1qkb s SER 228 N -4.20 6.81 0.40 4.04 0.15 -1.26 -4.10 113.70 115.54 1qkb s SER 228 Ca 0.04 0.84 0.16 0.00 0.70 0.00 0.00 55.95 57.69 1qkb s SER 228 Cb 0.13 -2.50 0.85 0.00 -1.71 0.00 0.00 66.02 62.79 1qkb s SER 228 CO 0.77 -0.86 1.87 -0.33 1.20 0.00 0.00 173.24 175.88 1qkb h GLU 229 N 8.27 0.00 -0.05 5.44 3.07 -1.88 -0.57 114.58 128.86 1qkb h GLU 229 Ca -0.22 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.64 1qkb h GLU 229 Cb 1.07 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1qkb h GLU 229 CO 1.01 0.32 0.01 0.28 -1.40 0.00 0.00 179.01 179.22 1qkb h VAL 230 N 0.00 1.21 -0.58 3.13 2.07 -1.93 -1.79 116.25 118.35 1qkb h VAL 230 Ca -0.00 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1qkb h VAL 230 Cb 0.61 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1qkb h VAL 230 CO 0.04 0.17 0.20 0.74 0.02 0.00 0.00 177.57 178.74 1qkb h THR 231 N -0.16 1.22 0.01 2.57 2.02 -1.89 0.91 112.91 117.59 1qkb h THR 231 Ca 0.02 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 1qkb h THR 231 Cb 0.27 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1qkb h THR 231 CO 0.00 0.29 -0.00 -0.78 0.37 0.00 0.00 175.52 175.39 1qkb h ASP 232 N 0.85 -0.01 -0.67 4.18 3.58 -0.98 0.14 116.42 123.51 1qkb h ASP 232 Ca 0.19 -0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.59 1qkb h ASP 232 Cb 0.23 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.24 1qkb h ASP 232 CO -0.01 0.06 0.43 0.58 -2.88 0.00 0.00 179.24 177.42 1qkb h VAL 233 N -0.08 1.13 -0.55 2.25 2.07 -0.97 0.02 116.25 120.11 1qkb h VAL 233 Ca -0.00 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1qkb h VAL 233 Cb 0.08 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 1qkb h VAL 233 CO 0.00 0.16 0.32 0.78 0.02 0.00 0.00 177.57 178.84 1qkb h ASN 234 N 0.86 0.49 1.63 0.57 2.35 -0.29 0.37 115.58 121.56 1qkb h ASN 234 Ca 0.26 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1qkb h ASN 234 Cb -0.04 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1qkb h ASN 234 CO -0.08 0.34 0.00 0.03 -1.65 0.00 0.00 177.43 176.07 1qkb h ARG 235 N 0.62 0.00 0.08 0.81 3.08 -0.31 -0.74 114.38 117.91 1qkb h ARG 235 Ca 0.23 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 1qkb h ARG 235 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1qkb h ARG 235 CO -0.12 0.00 -0.04 -0.92 -1.07 0.00 0.00 179.97 177.82 1qkb h TYR 236 N 0.00 -0.09 0.00 3.04 5.03 -0.64 0.61 116.97 124.92 1qkb h TYR 236 Ca 0.00 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 1qkb h TYR 236 Cb 0.81 0.03 -0.00 0.00 1.55 0.00 0.00 36.73 39.12 1qkb h TYR 236 CO 0.00 0.44 -0.11 0.00 -1.32 0.00 0.00 178.16 177.17 1qkb h ARG 237 N -0.71 0.00 0.00 1.82 3.08 -0.69 -1.21 114.38 116.66 1qkb h ARG 237 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1qkb h ARG 237 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1qkb h ARG 237 CO 0.02 0.11 0.00 0.66 -1.07 0.00 0.00 179.97 179.68 1qkb h SER 238 N 0.00 0.00 0.00 7.04 4.64 -1.22 -3.47 113.55 120.54 1qkb h SER 238 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qkb h SER 238 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1qkb h SER 238 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1qkb n GLY 239 N 0.49 1.13 0.22 -0.77 0.00 -0.46 -4.99 105.19 100.81 1qkb n GLY 239 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1qkb n GLY 239 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qkb h GLU 240 N 2.03 0.72 -5.47 1.61 4.81 -1.12 -3.44 114.58 113.72 1qkb h GLU 240 Ca 0.00 -0.39 -0.64 0.00 -0.13 0.00 0.00 59.36 58.21 1qkb h GLU 240 Cb 0.00 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 29.26 1qkb h GLU 240 CO 0.00 1.01 -0.55 0.42 -0.73 0.00 0.00 179.01 179.16 1qkb s ILE 241 N -4.33 4.89 -0.08 2.32 1.01 -0.33 -4.74 121.20 119.95 1qkb s ILE 241 Ca -0.12 -0.01 0.11 0.00 0.00 0.00 0.00 60.65 60.63 1qkb s ILE 241 Cb 0.09 -3.17 -0.24 0.00 0.01 0.00 0.00 42.46 39.16 1qkb s ILE 241 CO 0.84 0.52 0.52 0.47 0.00 0.00 0.00 174.94 177.28 1qkb n ASP 242 N 2.98 0.89 -3.66 3.58 8.00 -0.30 -4.39 116.55 123.66 1qkb n ASP 242 Ca -0.18 0.32 -0.21 0.00 0.71 0.00 0.00 54.79 55.43 1qkb n ASP 242 Cb 0.53 0.01 -0.18 0.00 -0.02 0.00 0.00 41.12 41.47 1qkb n ASP 242 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1qkb s MET 243 N -2.58 -0.05 1.07 -1.24 -1.94 -1.03 -1.61 119.30 111.94 1qkb s MET 243 Ca -0.08 0.28 -0.16 0.00 -1.71 0.00 0.00 55.69 54.03 1qkb s MET 243 Cb 0.08 -0.79 0.23 0.00 2.01 0.00 0.00 34.83 36.35 1qkb s MET 243 CO 0.82 -0.40 1.13 0.95 -0.01 0.00 0.00 175.02 177.50 1qkb s THR 244 N 2.17 1.83 0.83 2.05 -4.23 -0.25 -1.34 115.64 116.69 1qkb s THR 244 Ca 0.04 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.44 1qkb s THR 244 Cb -0.13 -2.58 0.09 0.00 1.34 0.00 0.00 72.50 71.23 1qkb s THR 244 CO -0.04 0.00 1.11 -0.47 -0.54 0.00 0.00 174.62 174.68 1qkb s TYR 245 N -3.11 2.74 -0.98 3.99 5.04 -1.24 -4.55 117.35 119.24 1qkb s TYR 245 Ca 0.68 1.02 -0.01 0.00 -2.44 0.00 0.00 57.07 56.33 1qkb s TYR 245 Cb -0.13 -3.23 0.31 0.00 0.35 0.00 0.00 41.96 39.26 1qkb s TYR 245 CO 0.56 -1.96 1.51 0.27 -1.34 0.00 0.00 175.55 174.59 1qkb n ASN 246 N -3.53 6.41 -3.68 4.32 6.94 -1.26 -4.63 115.26 119.83 1qkb n ASN 246 Ca 0.07 -3.55 -0.20 0.00 -0.02 0.00 0.00 54.58 50.87 1qkb n ASN 246 Cb 0.58 -1.12 -0.18 0.00 -2.36 0.00 0.00 39.78 36.70 1qkb n ASN 246 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1qkb s ASN 247 N -1.83 1.22 -0.03 0.53 0.01 -1.25 -4.71 114.94 108.87 1qkb s ASN 247 Ca 0.37 0.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.57 1qkb s ASN 247 Cb 0.13 -0.17 -0.03 0.00 0.41 0.00 0.00 41.25 41.59 1qkb s ASN 247 CO -0.02 -0.25 -0.01 -0.04 -1.51 0.00 0.00 177.10 175.28 1qkb s MET 248 N 2.15 2.84 0.23 -0.60 -1.94 -1.26 -4.82 119.30 115.90 1qkb s MET 248 Ca 0.05 -0.55 -0.30 0.00 -1.71 0.00 0.00 55.69 53.18 1qkb s MET 248 Cb -0.12 -2.70 -0.09 0.00 2.01 0.00 0.00 34.83 33.94 1qkb s MET 248 CO -0.03 0.65 1.15 -1.25 -0.01 0.00 0.00 175.02 175.53 1qkb s PRO 249 N -1.31 4.55 0.28 2.03 0.04 -1.26 -4.78 135.00 134.56 1qkb s PRO 249 Ca 0.17 1.85 0.03 0.00 0.04 0.00 0.00 61.00 63.10 1qkb s PRO 249 Cb -0.11 -3.21 0.41 0.00 0.04 0.00 0.00 34.50 31.63 1qkb s PRO 249 CO 0.07 0.05 1.71 0.82 0.04 0.00 0.00 177.00 179.69 1qkb h ILE 250 N 3.43 1.27 -0.77 0.56 2.04 -1.94 -2.33 117.51 119.78 1qkb h ILE 250 Ca -0.46 -1.33 0.08 0.00 1.00 0.00 0.00 64.86 64.16 1qkb h ILE 250 Cb 1.21 1.43 -0.07 0.00 -0.74 0.00 0.00 36.82 38.66 1qkb h ILE 250 CO 0.70 0.42 0.43 -0.33 0.00 0.00 0.00 178.15 179.37 1qkb h GLU 251 N 0.38 0.71 0.00 2.37 3.07 -1.97 -3.35 114.58 115.79 1qkb h GLU 251 Ca 0.05 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1qkb h GLU 251 Cb 0.71 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1qkb h GLU 251 CO 0.05 0.47 -1.21 1.28 -1.40 0.00 0.00 179.01 178.20 1qkb n LEU 252 N -4.77 0.10 -0.14 1.33 4.77 -1.16 -4.82 117.00 112.30 1qkb n LEU 252 Ca 0.12 -0.11 -0.03 0.00 -0.03 0.00 0.00 56.01 55.96 1qkb n LEU 252 Cb 0.25 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.39 1qkb n LEU 252 CO 0.27 0.02 0.85 0.15 -1.33 0.00 0.00 177.39 177.36 1qkb h PHE 253 N 0.00 -0.01 -0.60 -1.77 3.57 -1.56 -1.24 116.94 115.34 1qkb h PHE 253 Ca 0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1qkb h PHE 253 Cb 0.39 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1qkb h PHE 253 CO 0.00 -0.09 0.37 1.96 -2.23 0.00 0.00 178.31 178.32 1qkb h GLN 254 N 0.13 0.71 -0.57 1.11 1.08 -1.86 -1.86 115.11 113.84 1qkb h GLN 254 Ca 0.23 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.42 1qkb h GLN 254 Cb 0.34 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.57 1qkb h GLN 254 CO -0.38 0.47 0.34 0.87 -0.95 0.00 0.00 178.83 179.18 1qkb h LYS 255 N 0.73 0.64 -0.98 1.46 1.79 -1.76 -2.83 116.57 115.63 1qkb h LYS 255 Ca 0.24 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.70 1qkb h LYS 255 Cb 0.01 -0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 30.46 1qkb h LYS 255 CO -0.10 0.42 0.64 -0.07 -1.08 0.00 0.00 179.45 179.27 1qkb h LEU 256 N 0.66 1.09 -1.61 2.94 3.38 -0.55 0.38 115.31 121.59 1qkb h LEU 256 Ca 0.23 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1qkb h LEU 256 Cb 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1qkb h LEU 256 CO -0.11 0.76 -0.20 0.50 0.09 0.00 0.00 178.44 179.47 1qkb h LYS 257 N 1.27 0.00 0.05 1.13 1.63 -1.12 0.17 116.57 119.69 1qkb h LYS 257 Ca 0.38 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.89 1qkb h LYS 257 Cb -0.05 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.55 1qkb h LYS 257 CO -0.11 0.20 -1.53 0.87 -3.45 0.00 0.00 179.45 175.44 1qkb h LYS 258 N 0.00 0.10 0.17 1.90 1.79 -1.10 -3.27 116.57 116.16 1qkb h LYS 258 Ca -0.00 -0.17 -0.25 0.00 -2.18 0.00 0.00 60.65 58.05 1qkb h LYS 258 Cb 0.37 0.06 0.02 0.00 -1.58 0.00 0.00 32.23 31.11 1qkb h LYS 258 CO 0.03 0.85 -1.12 0.93 -1.08 0.00 0.00 179.45 179.05 1qkb h GLU 259 N 0.03 0.36 -2.04 3.15 5.08 0.13 -3.41 114.58 117.88 1qkb h GLU 259 Ca -0.22 -0.62 -0.53 0.00 -1.00 0.00 0.00 59.36 56.99 1qkb h GLU 259 Cb 1.96 0.23 -0.40 0.00 0.50 0.00 0.00 28.75 31.04 1qkb h GLU 259 CO 0.12 1.30 -1.08 0.44 -1.00 0.00 0.00 179.01 178.78 1qkb n ILE 260 N -3.96 0.06 -0.22 3.13 -5.35 0.54 -5.00 119.36 108.56 1qkb n ILE 260 Ca -0.17 -4.49 0.03 0.00 -0.27 0.00 0.00 62.75 57.85 1qkb n ILE 260 Cb 0.92 -1.12 0.14 0.00 -1.74 0.00 0.00 39.64 37.83 1qkb n ILE 260 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1qkb h PRO 261 N 3.46 0.19 0.00 6.28 0.13 -1.65 -1.15 132.00 139.26 1qkb h PRO 261 Ca 0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1qkb h PRO 261 Cb 0.88 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1qkb h PRO 261 CO 0.53 0.13 0.00 -0.91 -0.23 0.00 0.00 178.00 177.52 1qkb h ASN 262 N 0.20 0.00 0.16 1.44 2.35 -1.93 -2.47 115.58 115.32 1qkb h ASN 262 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1qkb h ASN 262 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1qkb h ASN 262 CO -0.51 0.00 -1.25 -0.62 -1.65 0.00 0.00 177.43 173.40 1qkb n GLU 263 N -2.36 0.26 -2.83 0.81 1.02 -0.45 -4.81 120.64 112.28 1qkb n GLU 263 Ca 0.01 -0.05 -0.43 0.00 -0.02 0.00 0.00 57.16 56.67 1qkb n GLU 263 Cb 0.19 -1.54 -0.04 0.00 -0.02 0.00 0.00 31.44 30.03 1qkb n GLU 263 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1qkb s VAL 264 N -3.20 4.33 -0.16 2.62 1.01 -0.93 -1.73 120.40 122.34 1qkb s VAL 264 Ca 0.03 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.88 1qkb s VAL 264 Cb 0.15 -4.61 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1qkb s VAL 264 CO 0.85 -1.28 0.42 -0.13 0.00 0.00 0.00 175.10 174.96 1qkb s ARG 265 N 4.09 4.25 -0.18 2.72 1.81 0.15 -4.96 118.95 126.83 1qkb s ARG 265 Ca 0.27 0.30 -0.02 0.00 -1.72 0.00 0.00 55.73 54.56 1qkb s ARG 265 Cb -0.14 -3.48 0.05 0.00 -0.45 0.00 0.00 34.95 30.93 1qkb s ARG 265 CO 0.16 0.07 0.02 0.08 -0.68 0.00 0.00 175.30 174.94 1qkb s VAL 266 N 0.95 0.62 0.13 3.52 1.01 -1.26 -1.58 120.40 123.80 1qkb s VAL 266 Ca 0.22 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1qkb s VAL 266 Cb -0.15 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1qkb s VAL 266 CO 0.08 -0.11 -0.00 -1.81 0.00 0.00 0.00 175.10 173.26 1qkb s ASP 267 N 1.82 0.90 0.69 3.32 1.01 -0.96 -4.95 116.67 118.51 1qkb s ASP 267 Ca -0.00 -1.13 -0.17 0.00 0.71 0.00 0.00 52.55 51.97 1qkb s ASP 267 Cb -0.16 0.17 0.02 0.00 1.01 0.00 0.00 42.92 43.95 1qkb s ASP 267 CO -0.07 -0.59 1.26 -2.84 0.21 0.00 0.00 175.17 173.14 1qkb s PRO 268 N -3.93 2.29 -0.18 8.23 0.02 -1.26 0.09 135.00 140.26 1qkb s PRO 268 Ca 0.19 1.95 -0.09 0.00 0.02 0.00 0.00 61.00 63.08 1qkb s PRO 268 Cb 0.06 -1.83 0.07 0.00 0.02 0.00 0.00 34.50 32.82 1qkb s PRO 268 CO -0.00 -1.77 0.42 -0.47 -0.33 0.00 0.00 177.00 174.85 1qkb s TYR 269 N -1.64 -0.65 -1.29 6.54 5.04 -1.25 -4.41 117.35 119.68 1qkb s TYR 269 Ca 0.79 1.36 -0.10 0.00 -2.44 0.00 0.00 57.07 56.68 1qkb s TYR 269 Cb -0.34 0.28 0.16 0.00 0.35 0.00 0.00 41.96 42.41 1qkb s TYR 269 CO 0.43 -0.37 1.88 1.28 -1.34 0.00 0.00 175.55 177.42 1qkb n LEU 270 N 4.49 6.60 -4.07 6.97 4.77 0.00 -4.51 117.00 131.25 1qkb n LEU 270 Ca -0.20 -4.60 -0.12 0.00 -0.03 0.00 0.00 56.01 51.06 1qkb n LEU 270 Cb 0.54 -1.50 -0.11 0.00 -2.33 0.00 0.00 43.42 40.02 1qkb n LEU 270 CO 0.06 1.33 -0.39 0.00 -1.33 0.00 0.00 177.39 177.06 1qkb s THR 272 N -1.87 1.48 -0.15 0.00 2.01 -0.20 -1.20 115.64 115.71 1qkb s THR 272 Ca -0.06 -0.67 -0.16 0.00 0.31 0.00 0.00 61.69 61.10 1qkb s THR 272 Cb -0.07 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 1qkb s THR 272 CO -0.01 0.43 0.38 -0.47 -0.69 0.00 0.00 174.62 174.27 1qkb s TYR 273 N 0.58 3.46 0.17 4.92 6.14 0.27 -1.82 117.35 131.07 1qkb s TYR 273 Ca -0.16 0.71 -0.14 0.00 0.64 0.00 0.00 57.07 58.12 1qkb s TYR 273 Cb -0.16 -2.46 0.02 0.00 0.42 0.00 0.00 41.96 39.77 1qkb s TYR 273 CO 0.05 0.16 0.42 1.52 0.64 0.00 0.00 175.55 178.33 1qkb s TYR 274 N 0.72 0.03 -0.29 4.97 1.13 -0.29 -0.95 117.35 122.67 1qkb s TYR 274 Ca 0.21 -0.38 -0.13 0.00 -1.41 0.00 0.00 57.07 55.36 1qkb s TYR 274 Cb -0.14 0.22 -0.04 0.00 -1.10 0.00 0.00 41.96 40.90 1qkb s TYR 274 CO 0.07 -0.81 0.26 0.71 -2.51 0.00 0.00 175.55 173.28 1qkb s TYR 275 N -3.89 3.23 -0.28 -3.49 2.02 0.45 -0.19 117.35 115.19 1qkb s TYR 275 Ca 0.10 0.15 -0.27 0.00 -0.37 0.00 0.00 57.07 56.68 1qkb s TYR 275 Cb 0.01 -2.47 0.01 0.00 -0.40 0.00 0.00 41.96 39.11 1qkb s TYR 275 CO -0.04 -0.23 0.97 -2.00 -1.57 0.00 0.00 175.55 172.68 1qkb s GLU 276 N 1.87 4.11 -0.01 -0.62 2.12 0.12 -1.14 118.70 125.15 1qkb s GLU 276 Ca 0.10 1.03 -0.15 0.00 0.36 0.00 0.00 54.97 56.31 1qkb s GLU 276 Cb -0.16 -3.70 -0.06 0.00 0.26 0.00 0.00 34.13 30.48 1qkb s GLU 276 CO 0.11 -0.73 0.41 0.42 -0.54 0.00 0.00 175.26 174.93 1qkb s ILE 277 N 3.27 5.05 -0.73 -3.70 1.01 -1.26 -0.30 121.20 124.54 1qkb s ILE 277 Ca 0.41 0.83 -0.26 0.00 0.00 0.00 0.00 60.65 61.63 1qkb s ILE 277 Cb -0.14 -3.71 0.04 0.00 0.01 0.00 0.00 42.46 38.66 1qkb s ILE 277 CO 0.11 0.56 1.22 0.21 0.00 0.00 0.00 174.94 177.04 1qkb s ASN 278 N -0.96 6.17 0.25 3.58 3.84 -0.17 -4.66 114.94 122.99 1qkb s ASN 278 Ca 0.24 -0.60 0.23 0.00 0.21 0.00 0.00 52.86 52.93 1qkb s ASN 278 Cb -0.16 -2.53 0.97 0.00 -0.55 0.00 0.00 41.25 38.98 1qkb s ASN 278 CO 0.13 -1.74 1.69 0.59 -2.79 0.00 0.00 177.10 174.98 1qkb n ASN 279 N 9.00 0.63 -0.74 -4.21 3.02 -0.21 -2.69 115.26 120.06 1qkb n ASN 279 Ca 0.02 0.66 0.13 0.00 -0.03 0.00 0.00 54.58 55.36 1qkb n ASN 279 Cb 0.48 -0.79 0.32 0.00 -0.61 0.00 0.00 39.78 39.18 1qkb n ASN 279 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qkb n GLN 280 N -2.20 2.01 -4.39 3.52 6.02 -1.26 -3.79 117.38 117.29 1qkb n GLN 280 Ca 0.02 -1.48 -0.34 0.00 -0.01 0.00 0.00 57.00 55.20 1qkb n GLN 280 Cb 0.21 -1.46 -0.14 0.00 1.02 0.00 0.00 30.24 29.86 1qkb n GLN 280 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1qkb s LYS 281 N -1.91 3.34 0.40 -1.09 2.20 -1.09 -4.88 119.74 116.70 1qkb s LYS 281 Ca 0.34 -0.68 -0.26 0.00 -0.36 0.00 0.00 55.97 55.01 1qkb s LYS 281 Cb 0.20 -2.76 -0.09 0.00 -1.51 0.00 0.00 37.83 33.68 1qkb s LYS 281 CO 0.31 0.02 1.27 0.00 -0.36 0.00 0.00 175.35 176.59 1qkb s ALA 282 N 0.86 3.25 -1.25 3.13 0.00 -1.26 0.15 121.76 126.63 1qkb s ALA 282 Ca -0.03 1.17 0.10 0.00 0.00 0.00 0.00 51.96 53.20 1qkb s ALA 282 Cb -0.15 -3.46 0.40 0.00 0.00 0.00 0.00 23.12 19.91 1qkb s ALA 282 CO 0.00 -0.74 1.23 -0.35 0.00 0.00 0.00 175.76 175.90 1qkb n PRO 283 N 0.17 2.55 0.00 0.00 -0.04 -1.26 -4.89 135.00 131.53 1qkb n PRO 283 Ca 0.04 -1.57 0.14 0.00 -0.04 0.00 0.00 63.50 62.06 1qkb n PRO 283 Cb 0.44 -1.63 0.84 0.00 -0.04 0.00 0.00 33.50 33.11 1qkb n PRO 283 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1qkb n PHE 284 N 0.49 0.00 1.31 0.54 3.72 0.39 -2.51 117.46 121.40 1qkb n PHE 284 Ca 0.14 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.63 1qkb n PHE 284 Cb 0.56 0.00 0.33 0.00 -0.94 0.00 0.00 39.48 39.43 1qkb n PHE 284 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1qkb n ASN 285 N -0.98 1.37 -4.50 4.37 6.94 -1.11 -4.63 115.26 116.72 1qkb n ASN 285 Ca 0.21 -1.75 -0.39 0.00 -0.02 0.00 0.00 54.58 52.63 1qkb n ASN 285 Cb 0.10 -0.11 -0.11 0.00 -2.36 0.00 0.00 39.78 37.29 1qkb n ASN 285 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1qkb s ASP 286 N -1.41 5.85 0.55 0.53 -1.08 -1.04 -4.98 116.67 115.09 1qkb s ASP 286 Ca 0.28 -0.39 0.24 0.00 -0.52 0.00 0.00 52.55 52.16 1qkb s ASP 286 Cb 0.15 -2.08 1.51 0.00 -1.46 0.00 0.00 42.92 41.04 1qkb s ASP 286 CO 0.22 -0.19 2.13 1.62 0.52 0.00 0.00 175.17 179.47 1qkb h VAL 287 N 5.53 0.71 -0.62 1.11 3.04 -1.88 -0.88 116.25 123.27 1qkb h VAL 287 Ca -0.32 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.29 1qkb h VAL 287 Cb 1.16 0.91 -0.02 0.00 -2.01 0.00 0.00 31.29 31.33 1qkb h VAL 287 CO 0.61 0.00 0.07 0.03 -1.01 0.00 0.00 177.57 177.27 1qkb h ARG 288 N 0.00 1.04 -0.04 4.17 3.08 -1.93 0.20 114.38 120.89 1qkb h ARG 288 Ca 0.07 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 1qkb h ARG 288 Cb 0.30 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1qkb h ARG 288 CO -0.00 0.97 -0.01 0.28 -1.07 0.00 0.00 179.97 180.14 1qkb h VAL 289 N 0.97 1.29 -0.84 2.04 2.07 -1.46 -1.37 116.25 118.94 1qkb h VAL 289 Ca 0.19 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1qkb h VAL 289 Cb 0.46 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1qkb h VAL 289 CO 0.02 0.24 0.41 0.03 0.02 0.00 0.00 177.57 178.28 1qkb h ARG 290 N -0.26 1.21 -0.65 1.57 3.08 -1.26 -2.09 114.38 115.99 1qkb h ARG 290 Ca 0.01 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 1qkb h ARG 290 Cb 0.39 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1qkb h ARG 290 CO 0.00 0.93 0.14 1.15 -1.07 0.00 0.00 179.97 181.12 1qkb h THR 291 N 1.20 1.25 -0.44 2.04 2.02 -0.54 -1.26 112.91 117.17 1qkb h THR 291 Ca 0.29 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 1qkb h THR 291 Cb 0.12 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1qkb h THR 291 CO -0.04 0.36 0.25 0.00 0.37 0.00 0.00 175.52 176.47 1qkb h ALA 292 N 1.16 0.57 -0.52 6.16 0.00 -0.92 0.05 119.26 125.76 1qkb h ALA 292 Ca 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1qkb h ALA 292 Cb 0.38 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1qkb h ALA 292 CO 0.00 0.08 0.30 -0.07 0.00 0.00 0.00 179.25 179.56 1qkb h LEU 293 N 0.58 0.63 -0.42 0.00 3.38 -1.14 -0.86 115.31 117.48 1qkb h LEU 293 Ca 0.16 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1qkb h LEU 293 Cb 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1qkb h LEU 293 CO -0.03 0.52 0.23 0.50 0.09 0.00 0.00 178.44 179.76 1qkb h LYS 294 N 0.69 0.58 -0.08 1.13 3.64 -0.77 -2.95 116.57 118.81 1qkb h LYS 294 Ca 0.18 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.30 1qkb h LYS 294 Cb 0.02 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1qkb h LYS 294 CO -0.03 0.46 -0.76 -0.07 -2.27 0.00 0.00 179.45 176.78 1qkb h LEU 295 N 0.55 0.57 -0.93 5.20 3.38 -0.83 -3.29 115.31 119.97 1qkb h LEU 295 Ca 0.15 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1qkb h LEU 295 Cb 0.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1qkb h LEU 295 CO -0.02 1.14 -0.07 0.00 0.09 0.00 0.00 178.44 179.58 1qkb h ALA 296 N 0.85 0.99 -2.59 1.53 0.00 -1.16 -3.42 119.26 115.46 1qkb h ALA 296 Ca -0.04 -0.06 -0.53 0.00 0.00 0.00 0.00 54.91 54.28 1qkb h ALA 296 Cb 1.36 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 19.17 1qkb h ALA 296 CO 0.14 0.08 0.80 -1.17 0.00 0.00 0.00 179.25 179.10 1qkb s LEU 297 N -6.31 4.37 -0.66 0.00 2.96 -1.12 -4.73 118.68 113.18 1qkb s LEU 297 Ca 0.03 2.49 -0.17 0.00 -0.22 0.00 0.00 54.13 56.26 1qkb s LEU 297 Cb 0.08 -3.59 0.14 0.00 0.50 0.00 0.00 46.19 43.32 1qkb s LEU 297 CO 0.61 -0.74 0.69 -0.62 -1.32 0.00 0.00 176.35 174.96 1qkb s ASP 298 N 1.09 6.37 0.38 3.68 -1.08 -1.26 -4.92 116.67 120.93 1qkb s ASP 298 Ca 0.67 -1.91 0.11 0.00 -0.52 0.00 0.00 52.55 50.89 1qkb s ASP 298 Cb -0.41 -2.26 0.75 0.00 -1.46 0.00 0.00 42.92 39.55 1qkb s ASP 298 CO 0.31 -0.89 1.87 0.03 0.52 0.00 0.00 175.17 177.01 1qkb h ARG 299 N 8.71 0.14 -0.55 4.34 3.08 -1.92 -1.95 114.38 126.23 1qkb h ARG 299 Ca -0.16 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 1qkb h ARG 299 Cb 1.07 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 1qkb h ARG 299 CO 1.00 0.38 0.25 0.22 -1.07 0.00 0.00 179.97 180.75 1qkb h ASP 300 N 0.13 0.73 0.26 7.04 3.58 -1.96 0.28 116.42 126.48 1qkb h ASP 300 Ca 0.02 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 1qkb h ASP 300 Cb 0.50 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1qkb h ASP 300 CO 0.04 0.67 -0.12 0.40 -2.88 0.00 0.00 179.24 177.34 1qkb h ILE 301 N 0.74 0.78 0.54 2.25 2.04 -1.84 -0.24 117.51 121.78 1qkb h ILE 301 Ca 0.19 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1qkb h ILE 301 Cb 0.14 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1qkb h ILE 301 CO -0.02 0.05 -0.28 0.40 0.00 0.00 0.00 178.15 178.30 1qkb h ILE 302 N -0.47 0.43 -0.15 -0.67 2.04 -1.24 0.55 117.51 118.01 1qkb h ILE 302 Ca -0.04 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.68 1qkb h ILE 302 Cb 0.35 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1qkb h ILE 302 CO 0.06 0.00 -0.46 0.58 0.00 0.00 0.00 178.15 178.33 1qkb h VAL 303 N -0.75 1.35 0.00 1.67 2.07 -0.52 -0.08 116.25 119.98 1qkb h VAL 303 Ca -0.07 -1.73 -0.22 0.00 0.82 0.00 0.00 66.70 65.49 1qkb h VAL 303 Cb 0.59 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 1qkb h VAL 303 CO 0.11 0.53 -2.03 0.59 0.02 0.00 0.00 177.57 176.79 1qkb n ASN 304 N -4.24 0.24 -0.11 0.57 4.13 -0.12 -0.70 115.26 115.04 1qkb n ASN 304 Ca -0.07 0.11 -0.18 0.00 1.68 0.00 0.00 54.58 56.12 1qkb n ASN 304 Cb 0.57 1.01 -0.06 0.00 -1.54 0.00 0.00 39.78 39.77 1qkb n ASN 304 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1qkb n LYS 305 N -2.67 0.55 0.06 3.52 4.76 0.50 -4.20 118.16 120.68 1qkb n LYS 305 Ca -0.19 0.23 -0.07 0.00 -2.87 0.00 0.00 58.31 55.41 1qkb n LYS 305 Cb 0.93 -1.44 -0.12 0.00 -1.84 0.00 0.00 35.03 32.56 1qkb n LYS 305 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1qkb h VAL 306 N -0.99 1.70 0.00 -0.18 -1.51 -0.02 -3.40 116.25 111.86 1qkb h VAL 306 Ca -0.29 -3.41 -0.18 0.00 -1.23 0.00 0.00 66.70 61.59 1qkb h VAL 306 Cb 1.25 2.84 -0.03 0.00 -2.13 0.00 0.00 31.29 33.22 1qkb h VAL 306 CO -0.18 0.97 -1.52 1.17 -1.23 0.00 0.00 177.57 176.78 1qkb n LYS 307 N -3.35 0.49 -4.01 5.19 4.81 -0.05 -4.99 118.16 116.26 1qkb n LYS 307 Ca -0.00 0.21 -0.42 0.00 -0.87 0.00 0.00 58.31 57.22 1qkb n LYS 307 Cb 0.94 -1.35 0.02 0.00 0.02 0.00 0.00 35.03 34.65 1qkb n LYS 307 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1qkb n ASN 308 N -4.25 -3.93 -0.01 3.14 2.85 0.13 -4.89 115.26 108.29 1qkb n ASN 308 Ca -0.28 -1.24 0.02 0.00 -0.11 0.00 0.00 54.58 52.98 1qkb n ASN 308 Cb 0.62 -2.05 0.03 0.00 1.24 0.00 0.00 39.78 39.62 1qkb n ASN 308 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1qkb n GLN 309 N -4.84 2.64 0.00 1.20 6.02 -1.26 -4.95 117.38 116.18 1qkb n GLN 309 Ca -0.13 -1.70 0.00 0.00 -0.01 0.00 0.00 57.00 55.16 1qkb n GLN 309 Cb 0.58 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.75 1qkb n GLN 309 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qkb n GLY 310 N -0.68 0.55 3.76 1.08 0.00 -1.26 -4.93 105.19 103.71 1qkb n GLY 310 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1qkb n GLY 310 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qkb s ASP 311 N -2.80 4.25 -0.10 1.61 1.01 -1.26 -4.74 116.67 114.64 1qkb s ASP 311 Ca 0.00 1.75 0.03 0.00 0.71 0.00 0.00 52.55 55.04 1qkb s ASP 311 Cb 0.00 -2.44 -0.01 0.00 1.01 0.00 0.00 42.92 41.48 1qkb s ASP 311 CO 0.00 -2.19 -0.19 -0.76 0.21 0.00 0.00 175.17 172.25 1qkb s LEU 312 N -6.00 2.41 0.22 1.23 1.02 -1.00 -4.91 118.68 111.65 1qkb s LEU 312 Ca 0.62 -0.42 -0.32 0.00 0.02 0.00 0.00 54.13 54.04 1qkb s LEU 312 Cb -0.17 -1.50 -0.14 0.00 0.02 0.00 0.00 46.19 44.40 1qkb s LEU 312 CO 0.56 0.20 1.32 -2.65 0.02 0.00 0.00 176.35 175.80 1qkb n PRO 313 N 3.27 1.75 -4.33 1.29 -0.02 -1.26 0.09 135.00 135.79 1qkb n PRO 313 Ca -0.18 0.62 -0.32 0.00 -2.02 0.00 0.00 63.50 61.60 1qkb n PRO 313 Cb 0.53 -2.22 -0.09 0.00 -0.02 0.00 0.00 33.50 31.69 1qkb n PRO 313 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qkb s ALA 314 N -0.12 3.20 0.00 3.55 0.00 -0.47 -4.71 121.76 123.21 1qkb s ALA 314 Ca 0.69 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1qkb s ALA 314 Cb -0.71 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1qkb s ALA 314 CO 0.51 0.64 0.59 2.48 0.00 0.00 0.00 175.76 179.98 1qkb n TYR 315 N 1.40 0.00 -4.06 0.00 0.18 -1.26 -4.39 117.16 109.03 1qkb n TYR 315 Ca -0.15 -0.17 -0.12 0.00 1.88 0.00 0.00 57.90 59.35 1qkb n TYR 315 Cb 0.53 -0.02 -0.05 0.00 -0.38 0.00 0.00 39.34 39.42 1qkb n TYR 315 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1qkb s SER 316 N -0.33 0.39 -0.12 9.48 1.04 -1.26 -4.87 113.70 118.04 1qkb s SER 316 Ca 0.00 -1.24 -0.06 0.00 0.48 0.00 0.00 55.95 55.12 1qkb s SER 316 Cb 0.00 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 1qkb s SER 316 CO 0.00 -1.18 -0.12 0.22 0.98 0.00 0.00 173.24 173.13 1qkb h TYR 317 N 2.23 0.00 -2.74 5.02 3.20 -1.98 -3.45 116.97 119.25 1qkb h TYR 317 Ca -0.28 0.00 -0.52 0.00 3.14 0.00 0.00 58.73 61.06 1qkb h TYR 317 Cb 1.25 0.00 0.05 0.00 1.54 0.00 0.00 36.73 39.57 1qkb h TYR 317 CO 0.90 0.00 0.95 0.99 -1.64 0.00 0.00 178.16 179.36 1qkb s THR 318 N -1.97 2.35 0.27 1.81 2.01 -1.26 -4.70 115.64 114.15 1qkb s THR 318 Ca -0.10 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 1qkb s THR 318 Cb 0.01 -3.16 -0.10 0.00 0.01 0.00 0.00 72.50 69.27 1qkb s THR 318 CO 0.15 0.02 1.42 -2.84 -0.69 0.00 0.00 174.62 172.68 1qkb s PRO 319 N 1.21 4.27 0.27 4.92 0.02 -1.26 -4.88 135.00 139.55 1qkb s PRO 319 Ca 0.72 2.30 0.21 0.00 0.02 0.00 0.00 61.00 64.26 1qkb s PRO 319 Cb -0.46 -3.09 1.01 0.00 0.02 0.00 0.00 34.50 31.97 1qkb s PRO 319 CO 0.32 -0.38 1.64 -0.35 -0.33 0.00 0.00 177.00 177.90 1qkb n PRO 320 N 1.90 0.15 -0.51 5.54 -0.04 -1.26 -1.35 135.00 139.44 1qkb n PRO 320 Ca 0.05 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 64.13 1qkb n PRO 320 Cb 0.40 -1.88 0.32 0.00 -0.04 0.00 0.00 33.50 32.31 1qkb n PRO 320 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1qkb n TYR 321 N -2.18 1.24 -2.10 0.54 4.11 -1.26 -4.66 117.16 112.84 1qkb n TYR 321 Ca 0.00 -0.59 -0.39 0.00 -0.00 0.00 0.00 57.90 56.93 1qkb n TYR 321 Cb 0.12 -0.17 -0.00 0.00 -0.00 0.00 0.00 39.34 39.29 1qkb n TYR 321 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1qkb s THR 322 N -1.62 2.74 -0.12 -3.48 2.01 -0.46 -4.89 115.64 109.83 1qkb s THR 322 Ca 0.47 0.63 -0.31 0.00 0.31 0.00 0.00 61.69 62.79 1qkb s THR 322 Cb 0.29 -3.35 -0.08 0.00 0.01 0.00 0.00 72.50 69.37 1qkb s THR 322 CO 0.25 0.06 2.08 -0.67 -0.69 0.00 0.00 174.62 175.65 1qkb n ASP 323 N -0.13 3.50 0.00 3.53 -0.08 -1.26 -1.21 116.55 120.90 1qkb n ASP 323 Ca 0.05 0.59 0.00 0.00 -1.51 0.00 0.00 54.79 53.92 1qkb n ASP 323 Cb 0.45 -1.49 0.00 0.00 2.34 0.00 0.00 41.12 42.42 1qkb n ASP 323 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qkb n GLY 324 N 5.20 0.45 3.74 0.27 0.00 -1.26 -4.01 105.19 109.57 1qkb n GLY 324 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 1qkb n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qkb s ALA 325 N -2.00 3.43 -0.39 4.61 0.00 -0.35 -4.62 121.76 122.43 1qkb s ALA 325 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.06 1qkb s ALA 325 Cb 0.00 -2.80 0.26 0.00 0.00 0.00 0.00 23.12 20.57 1qkb s ALA 325 CO 0.00 0.03 0.53 1.63 0.00 0.00 0.00 175.76 177.95 1qkb n LYS 326 N 3.35 0.73 -3.00 0.00 5.02 -1.26 -4.83 118.16 118.16 1qkb n LYS 326 Ca -0.05 -3.23 -0.34 0.00 -2.02 0.00 0.00 58.31 52.67 1qkb n LYS 326 Cb 0.51 -1.24 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 1qkb n LYS 326 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qkb s LEU 327 N -1.26 4.10 -0.31 -0.35 1.43 -1.26 -4.66 118.68 116.37 1qkb s LEU 327 Ca 0.35 1.48 -0.16 0.00 -1.03 0.00 0.00 54.13 54.77 1qkb s LEU 327 Cb 0.18 -4.13 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 1qkb s LEU 327 CO -0.11 -0.20 0.40 -0.69 0.23 0.00 0.00 176.35 175.99 1qkb s VAL 328 N -1.93 5.14 -0.10 -1.59 1.01 -1.26 -5.03 120.40 116.63 1qkb s VAL 328 Ca 0.54 0.39 -0.30 0.00 0.00 0.00 0.00 61.98 62.61 1qkb s VAL 328 Cb -0.12 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1qkb s VAL 328 CO 0.17 0.01 1.39 -0.70 0.00 0.00 0.00 175.10 175.97 1qkb s GLU 329 N 2.13 4.23 0.57 2.72 2.12 -1.26 -4.97 118.70 124.25 1qkb s GLU 329 Ca 0.15 1.86 -0.19 0.00 0.36 0.00 0.00 54.97 57.15 1qkb s GLU 329 Cb -0.16 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.41 1qkb s GLU 329 CO 0.11 -0.71 1.16 -1.25 -0.54 0.00 0.00 175.26 174.04 1qkb s PRO 330 N 3.38 3.14 0.33 4.30 0.04 -1.26 -4.95 135.00 139.97 1qkb s PRO 330 Ca 0.62 1.69 0.03 0.00 0.04 0.00 0.00 61.00 63.37 1qkb s PRO 330 Cb -0.27 -1.97 0.62 0.00 0.04 0.00 0.00 34.50 32.92 1qkb s PRO 330 CO 0.21 -1.04 1.93 0.93 0.04 0.00 0.00 177.00 179.08 1qkb h GLU 331 N 0.97 0.89 -0.32 4.56 4.39 -2.02 -2.14 114.58 120.93 1qkb h GLU 331 Ca -0.50 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.24 1qkb h GLU 331 Cb 1.28 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 1qkb h GLU 331 CO 0.56 0.59 0.25 0.11 -1.16 0.00 0.00 179.01 179.36 1qkb h TRP 332 N 0.92 0.00 0.00 4.33 5.08 -1.98 -1.17 115.95 123.13 1qkb h TRP 332 Ca 0.36 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 60.23 1qkb h TRP 332 Cb 0.22 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.37 1qkb h TRP 332 CO -0.00 0.00 -0.45 0.35 -1.28 0.00 0.00 178.44 177.06 1qkb h PHE 333 N 0.00 0.00 0.00 0.12 3.57 -1.76 -3.06 116.94 115.81 1qkb h PHE 333 Ca 0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1qkb h PHE 333 Cb 0.64 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1qkb h PHE 333 CO 0.00 0.45 -0.40 0.87 -2.23 0.00 0.00 178.31 176.99 1qkb h LYS 334 N 0.00 0.00 -7.12 1.11 1.57 -1.32 -3.47 116.57 107.34 1qkb h LYS 334 Ca -0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.38 1qkb h LYS 334 Cb 0.89 0.00 0.21 0.00 0.08 0.00 0.00 32.23 33.41 1qkb h LYS 334 CO 0.06 0.00 -0.05 -1.58 -0.57 0.00 0.00 179.45 177.31 1qkb s TRP 335 N -3.25 -0.13 0.49 -1.35 0.51 -1.13 -5.03 118.94 109.04 1qkb s TRP 335 Ca 0.05 0.64 -0.05 0.00 -2.12 0.00 0.00 56.10 54.62 1qkb s TRP 335 Cb 0.08 -3.03 -0.03 0.00 -0.81 0.00 0.00 33.47 29.68 1qkb s TRP 335 CO 0.71 -4.63 0.78 -1.54 -0.51 0.00 0.00 176.95 171.76 1qkb s SER 336 N -3.20 6.14 0.29 2.95 1.04 -1.26 -4.95 113.70 114.71 1qkb s SER 336 Ca 0.69 0.83 0.02 0.00 0.48 0.00 0.00 55.95 57.96 1qkb s SER 336 Cb -0.14 -2.11 0.45 0.00 0.10 0.00 0.00 66.02 64.32 1qkb s SER 336 CO 0.58 -0.63 1.78 -0.61 0.98 0.00 0.00 173.24 175.34 1qkb h GLN 337 N 0.22 0.58 -0.75 4.02 5.75 -1.95 -1.92 115.11 121.05 1qkb h GLN 337 Ca -0.47 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 57.88 1qkb h GLN 337 Cb 1.22 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.66 1qkb h GLN 337 CO 0.61 0.68 0.49 -0.56 -2.65 0.00 0.00 178.83 177.40 1qkb h GLN 338 N 0.54 0.96 -0.57 1.69 -0.00 -1.98 0.55 115.11 116.29 1qkb h GLN 338 Ca 0.10 -0.06 -0.06 0.00 -0.00 0.00 0.00 58.65 58.63 1qkb h GLN 338 Cb 0.50 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.48 27.74 1qkb h GLN 338 CO 0.03 0.63 0.12 -0.22 -0.00 0.00 0.00 178.83 179.39 1qkb h LYS 339 N 0.99 0.94 -0.84 0.06 3.64 -1.88 -0.66 116.57 118.81 1qkb h LYS 339 Ca 0.28 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1qkb h LYS 339 Cb -0.07 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.59 1qkb h LYS 339 CO -0.08 0.88 0.41 0.00 -2.27 0.00 0.00 179.45 178.40 1qkb h ARG 340 N 0.84 1.20 -0.16 1.90 3.08 -0.72 -2.58 114.38 117.94 1qkb h ARG 340 Ca 0.18 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qkb h ARG 340 Cb 0.38 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1qkb h ARG 340 CO 0.01 0.92 0.08 -0.91 -1.07 0.00 0.00 179.97 179.00 1qkb h ASN 341 N 1.19 0.20 -0.48 7.04 2.35 0.81 -1.66 115.58 125.03 1qkb h ASN 341 Ca 0.29 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1qkb h ASN 341 Cb 0.11 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1qkb h ASN 341 CO -0.04 0.24 0.30 -0.33 -1.65 0.00 0.00 177.43 175.95 1qkb h GLU 342 N 0.15 0.60 -0.73 0.81 5.08 -1.08 0.21 114.58 119.61 1qkb h GLU 342 Ca 0.05 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1qkb h GLU 342 Cb 0.08 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 1qkb h GLU 342 CO -0.01 0.40 0.45 1.49 -1.00 0.00 0.00 179.01 180.34 1qkb h GLU 343 N 0.62 0.85 0.23 2.33 4.57 -1.36 0.35 114.58 122.16 1qkb h GLU 343 Ca 0.19 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1qkb h GLU 343 Cb -0.03 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.37 1qkb h GLU 343 CO -0.06 0.56 -0.11 0.00 -1.18 0.00 0.00 179.01 178.22 1qkb h ALA 344 N 1.32 -0.31 -0.52 2.92 0.00 -0.54 -0.82 119.26 121.32 1qkb h ALA 344 Ca 0.30 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1qkb h ALA 344 Cb 0.05 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1qkb h ALA 344 CO -0.12 -0.66 0.30 0.87 0.00 0.00 0.00 179.25 179.64 1qkb h LYS 345 N -0.33 0.58 -0.27 0.00 1.57 -0.14 -0.88 116.57 117.11 1qkb h LYS 345 Ca -0.03 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1qkb h LYS 345 Cb 0.25 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 1qkb h LYS 345 CO 0.05 0.38 -0.16 -0.22 -0.57 0.00 0.00 179.45 178.94 1qkb h LYS 346 N 0.60 -0.13 -0.81 3.15 3.64 -0.13 0.33 116.57 123.23 1qkb h LYS 346 Ca 0.22 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1qkb h LYS 346 Cb 0.05 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1qkb h LYS 346 CO -0.11 -0.08 0.37 -0.07 -2.27 0.00 0.00 179.45 177.28 1qkb h LEU 347 N -0.13 1.07 -0.27 5.20 3.38 -0.58 0.24 115.31 124.22 1qkb h LEU 347 Ca 0.14 -0.14 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 1qkb h LEU 347 Cb 0.35 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1qkb h LEU 347 CO -0.35 0.91 -0.70 -0.07 0.09 0.00 0.00 178.44 178.33 1qkb h LEU 348 N 1.15 0.84 -0.46 1.67 3.38 -0.83 0.20 115.31 121.26 1qkb h LEU 348 Ca 0.28 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.76 1qkb h LEU 348 Cb 0.14 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1qkb h LEU 348 CO -0.03 1.30 0.25 0.00 0.09 0.00 0.00 178.44 180.05 1qkb h ALA 349 N 0.70 0.58 -0.31 1.53 0.00 0.10 0.46 119.26 122.32 1qkb h ALA 349 Ca -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1qkb h ALA 349 Cb 1.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1qkb h ALA 349 CO 0.14 -0.08 0.12 0.93 0.00 0.00 0.00 179.25 180.36 1qkb h GLU 350 N 0.50 0.43 0.00 0.00 5.08 -0.33 -2.67 114.58 117.58 1qkb h GLU 350 Ca 0.19 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1qkb h GLU 350 Cb 0.07 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1qkb h GLU 350 CO -0.11 0.36 0.00 0.00 -1.00 0.00 0.00 179.01 178.25 1qkb n ALA 351 N -2.49 1.90 0.00 3.43 0.00 0.67 -4.87 120.51 119.16 1qkb n ALA 351 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1qkb n ALA 351 Cb 0.13 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1qkb n ALA 351 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qkb n GLY 352 N 0.39 0.84 3.81 0.00 0.00 -0.99 -5.06 105.19 104.17 1qkb n GLY 352 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1qkb n GLY 352 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qkb s PHE 353 N -2.00 3.70 0.36 1.61 0.08 -0.98 -4.99 117.98 115.76 1qkb s PHE 353 Ca 0.00 1.02 0.04 0.00 0.12 0.00 0.00 56.93 58.11 1qkb s PHE 353 Cb 0.00 -2.38 -0.03 0.00 -0.57 0.00 0.00 43.02 40.03 1qkb s PHE 353 CO 0.00 0.53 0.15 0.95 -0.10 0.00 0.00 175.22 176.75 1qkb s THR 354 N -0.73 0.48 0.27 0.64 -4.23 -1.01 -4.26 115.64 106.80 1qkb s THR 354 Ca 0.25 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.72 1qkb s THR 354 Cb -0.17 -2.46 0.26 0.00 1.34 0.00 0.00 72.50 71.47 1qkb s THR 354 CO 0.14 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 176.16 1qkb h ALA 355 N 2.01 1.35 0.00 3.99 0.00 -1.98 -2.29 119.26 122.34 1qkb h ALA 355 Ca -0.34 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1qkb h ALA 355 Cb 1.26 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1qkb h ALA 355 CO 0.54 0.60 -0.38 0.22 0.00 0.00 0.00 179.25 180.23 1qkb h ASP 356 N 1.24 0.00 -2.11 0.00 3.58 -2.01 -3.36 116.42 113.75 1qkb h ASP 356 Ca 0.34 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 57.22 1qkb h ASP 356 Cb -0.12 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 40.52 1qkb h ASP 356 CO -0.08 0.07 -0.83 0.29 -2.88 0.00 0.00 179.24 175.82 1qkb n LYS 357 N -2.99 1.80 -1.63 0.28 4.76 -0.97 -5.11 118.16 114.30 1qkb n LYS 357 Ca 0.02 -4.06 -0.29 0.00 -2.87 0.00 0.00 58.31 51.11 1qkb n LYS 357 Cb 0.57 -1.82 0.15 0.00 -1.84 0.00 0.00 35.03 32.09 1qkb n LYS 357 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1qkb s PRO 358 N -2.04 0.92 -0.23 1.97 0.04 -0.90 -2.41 135.00 132.34 1qkb s PRO 358 Ca 0.39 0.07 -0.18 0.00 0.04 0.00 0.00 61.00 61.32 1qkb s PRO 358 Cb 0.18 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.85 1qkb s PRO 358 CO -0.06 -2.31 0.50 -1.17 0.04 0.00 0.00 177.00 174.00 1qkb s LEU 359 N -6.02 4.10 -0.06 -3.56 2.96 -1.26 -4.92 118.68 109.91 1qkb s LEU 359 Ca 0.66 0.58 0.02 0.00 -0.22 0.00 0.00 54.13 55.17 1qkb s LEU 359 Cb -0.11 -2.66 0.02 0.00 0.50 0.00 0.00 46.19 43.93 1qkb s LEU 359 CO 0.53 -0.22 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.35 1qkb s THR 360 N 1.95 0.94 0.31 3.68 2.01 -1.26 -0.70 115.64 122.57 1qkb s THR 360 Ca 0.22 -0.35 -0.13 0.00 0.31 0.00 0.00 61.69 61.74 1qkb s THR 360 Cb -0.15 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.49 1qkb s THR 360 CO 0.09 0.31 0.61 0.72 -0.69 0.00 0.00 174.62 175.66 1qkb s PHE 361 N 0.80 0.35 0.15 4.92 -0.12 -0.54 -5.00 117.98 118.55 1qkb s PHE 361 Ca -0.13 -0.79 -0.06 0.00 -0.05 0.00 0.00 56.93 55.90 1qkb s PHE 361 Cb -0.15 0.40 -0.06 0.00 -0.63 0.00 0.00 43.02 42.58 1qkb s PHE 361 CO 0.02 -1.23 0.41 -0.51 -0.05 0.00 0.00 175.22 173.86 1qkb s ASP 362 N -3.06 6.53 -0.30 1.98 1.01 -1.26 -0.78 116.67 120.79 1qkb s ASP 362 Ca 0.20 0.67 0.02 0.00 0.71 0.00 0.00 52.55 54.16 1qkb s ASP 362 Cb -0.03 -2.13 0.09 0.00 1.01 0.00 0.00 42.92 41.86 1qkb s ASP 362 CO 0.12 0.04 0.01 -0.22 0.21 0.00 0.00 175.17 175.33 1qkb s LEU 363 N -2.60 3.68 -0.03 1.23 0.20 0.03 -2.65 118.68 118.53 1qkb s LEU 363 Ca 0.41 -1.75 -0.19 0.00 0.69 0.00 0.00 54.13 53.29 1qkb s LEU 363 Cb -0.12 -1.39 -0.05 0.00 -0.43 0.00 0.00 46.19 44.20 1qkb s LEU 363 CO 0.23 -0.33 0.54 -0.22 -0.29 0.00 0.00 176.35 176.28 1qkb s LEU 364 N 1.16 4.39 0.03 -0.68 2.96 -0.39 -0.62 118.68 125.54 1qkb s LEU 364 Ca 0.04 1.05 -0.09 0.00 -0.22 0.00 0.00 54.13 54.91 1qkb s LEU 364 Cb -0.19 -2.82 0.00 0.00 0.50 0.00 0.00 46.19 43.69 1qkb s LEU 364 CO -0.10 0.11 0.18 -0.72 -1.32 0.00 0.00 176.35 174.51 1qkb s TYR 365 N -0.15 0.06 0.13 5.38 1.13 0.29 -0.13 117.35 124.06 1qkb s TYR 365 Ca 0.29 -0.26 -0.29 0.00 -1.41 0.00 0.00 57.07 55.40 1qkb s TYR 365 Cb -0.17 -0.04 -0.07 0.00 -1.10 0.00 0.00 41.96 40.58 1qkb s TYR 365 CO 0.15 -0.41 0.92 0.54 -2.51 0.00 0.00 175.55 174.25 1qkb s ASN 366 N -1.98 7.49 -0.46 -0.18 4.22 -1.26 -1.59 114.94 121.19 1qkb s ASN 366 Ca -0.07 1.77 -0.43 0.00 -2.14 0.00 0.00 52.86 52.00 1qkb s ASN 366 Cb -0.02 -2.57 -0.18 0.00 1.28 0.00 0.00 41.25 39.76 1qkb s ASN 366 CO -0.03 0.01 1.47 0.41 -2.04 0.00 0.00 177.10 176.92 1qkb n THR 367 N 2.44 0.00 -3.64 0.54 -1.04 -0.44 -4.80 114.28 107.35 1qkb n THR 367 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.97 1qkb n THR 367 Cb 0.49 -0.46 -0.06 0.00 -1.82 0.00 0.00 70.33 68.48 1qkb n THR 367 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1qkb s SER 368 N 2.81 -0.16 0.05 8.00 0.15 -1.26 -4.76 113.70 118.53 1qkb s SER 368 Ca 0.96 0.27 -0.20 0.00 0.70 0.00 0.00 55.95 57.68 1qkb s SER 368 Cb -1.37 0.27 -0.12 0.00 -1.71 0.00 0.00 66.02 63.09 1qkb s SER 368 CO 0.74 -0.08 1.42 0.44 1.20 0.00 0.00 173.24 176.97 1qkb h ASP 369 N 3.11 0.35 0.35 5.45 3.32 -1.91 -1.59 116.42 125.50 1qkb h ASP 369 Ca -0.23 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 56.41 1qkb h ASP 369 Cb 1.19 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1qkb h ASP 369 CO 0.18 0.66 -0.17 0.25 -1.72 0.00 0.00 179.24 178.45 1qkb h LEU 370 N 0.03 -0.40 -1.05 1.55 5.85 -1.90 -1.35 115.31 118.05 1qkb h LEU 370 Ca 0.04 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1qkb h LEU 370 Cb 0.52 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1qkb h LEU 370 CO 0.02 -0.25 -0.15 0.45 -0.34 0.00 0.00 178.44 178.17 1qkb h HIS 371 N -0.51 0.54 -0.15 1.25 -0.00 -1.86 -1.70 115.15 112.71 1qkb h HIS 371 Ca -0.05 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.22 1qkb h HIS 371 Cb 0.39 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 1qkb h HIS 371 CO -0.04 0.63 0.06 -0.22 -0.00 0.00 0.00 177.93 178.36 1qkb h LYS 372 N 0.46 0.23 -0.86 2.45 3.64 -1.17 0.19 116.57 121.51 1qkb h LYS 372 Ca 0.08 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1qkb h LYS 372 Cb 0.54 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 1qkb h LYS 372 CO 0.03 0.31 0.48 0.87 -2.27 0.00 0.00 179.45 178.87 1qkb h LYS 373 N 0.10 1.19 -0.52 1.90 1.57 -1.07 0.48 116.57 120.21 1qkb h LYS 373 Ca 0.05 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 1qkb h LYS 373 Cb 0.16 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1qkb h LYS 373 CO -0.00 0.86 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.52 1qkb h LEU 374 N 1.19 1.04 -0.82 2.94 3.38 -1.21 -2.28 115.31 119.55 1qkb h LEU 374 Ca 0.30 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1qkb h LEU 374 Cb 0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1qkb h LEU 374 CO -0.05 1.17 -0.02 0.00 0.09 0.00 0.00 178.44 179.63 1qkb h ALA 375 N 0.90 1.01 -0.56 1.53 0.00 0.02 -0.18 119.26 121.99 1qkb h ALA 375 Ca 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1qkb h ALA 375 Cb 0.73 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1qkb h ALA 375 CO 0.06 0.61 0.26 0.82 0.00 0.00 0.00 179.25 180.99 1qkb h ILE 376 N 0.80 1.21 -0.38 0.00 2.04 -0.85 0.16 117.51 120.49 1qkb h ILE 376 Ca 0.15 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 1qkb h ILE 376 Cb 0.51 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1qkb h ILE 376 CO 0.03 0.24 0.17 0.00 0.00 0.00 0.00 178.15 178.59 1qkb h ALA 377 N 1.10 0.49 -0.57 1.87 0.00 -1.09 -1.40 119.26 119.66 1qkb h ALA 377 Ca 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1qkb h ALA 377 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1qkb h ALA 377 CO -0.02 0.06 0.27 0.28 0.00 0.00 0.00 179.25 179.84 1qkb h VAL 378 N 0.46 1.21 -0.70 0.00 2.07 -0.92 0.16 116.25 118.53 1qkb h VAL 378 Ca 0.13 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1qkb h VAL 378 Cb 0.15 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1qkb h VAL 378 CO -0.01 0.24 0.45 0.00 0.02 0.00 0.00 177.57 178.26 1qkb h ALA 379 N 1.11 0.90 -0.42 1.67 0.00 -0.47 0.59 119.26 122.63 1qkb h ALA 379 Ca 0.19 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1qkb h ALA 379 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1qkb h ALA 379 CO -0.02 0.26 0.03 1.03 0.00 0.00 0.00 179.25 180.55 1qkb h SER 380 N 0.90 0.70 -0.11 0.00 0.87 -0.92 -0.14 113.55 114.84 1qkb h SER 380 Ca 0.27 -0.29 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1qkb h SER 380 Cb -0.05 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1qkb h SER 380 CO -0.08 0.81 0.06 0.40 -0.53 0.00 0.00 176.83 177.49 1qkb h ILE 381 N 0.57 1.08 -0.45 2.23 2.04 -0.68 0.98 117.51 123.28 1qkb h ILE 381 Ca 0.12 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 1qkb h ILE 381 Cb 0.43 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1qkb h ILE 381 CO 0.02 0.07 0.01 -0.50 0.00 0.00 0.00 178.15 177.75 1qkb h TRP 382 N 0.09 0.78 0.05 1.37 6.55 -0.79 0.30 115.95 124.30 1qkb h TRP 382 Ca 0.04 -0.10 -0.00 0.00 0.95 0.00 0.00 58.89 59.78 1qkb h TRP 382 Cb 0.06 -0.22 0.00 0.00 -0.86 0.00 0.00 29.16 28.15 1qkb h TRP 382 CO -0.05 0.72 -0.02 -0.22 -1.05 0.00 0.00 178.44 177.82 1qkb h LYS 383 N 0.69 -0.06 -0.19 0.49 1.63 -0.66 0.42 116.57 118.88 1qkb h LYS 383 Ca 0.14 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.79 1qkb h LYS 383 Cb 0.42 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1qkb h LYS 383 CO 0.02 0.07 -0.48 -0.22 -3.45 0.00 0.00 179.45 175.38 1qkb h LYS 384 N -0.18 0.67 0.00 1.90 3.64 -0.53 -0.46 116.57 121.60 1qkb h LYS 384 Ca -0.01 -0.46 -0.25 0.00 -1.27 0.00 0.00 60.65 58.67 1qkb h LYS 384 Cb 0.16 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1qkb h LYS 384 CO 0.01 1.08 -1.32 -0.91 -2.27 0.00 0.00 179.45 176.04 1qkb h ASN 385 N 0.36 0.01 0.00 4.20 2.35 -0.47 -3.40 115.58 118.63 1qkb h ASN 385 Ca -0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1qkb h ASN 385 Cb 1.09 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.46 1qkb h ASN 385 CO 0.10 1.01 0.00 -0.11 -1.65 0.00 0.00 177.43 176.79 1qkb n LEU 386 N -3.22 0.28 -1.49 1.61 7.94 0.06 -4.80 117.00 117.38 1qkb n LEU 386 Ca -0.08 -0.49 -0.13 0.00 -1.11 0.00 0.00 56.01 54.20 1qkb n LEU 386 Cb 0.99 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.93 1qkb n LEU 386 CO 0.46 0.07 -0.17 0.61 -1.11 0.00 0.00 177.39 177.25 1qkb n GLY 387 N 0.43 -0.14 3.82 -3.96 0.00 -0.18 -4.94 105.19 100.22 1qkb n GLY 387 Ca 0.00 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 1qkb n GLY 387 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qkb s VAL 388 N -2.65 4.81 -0.15 1.61 -7.23 -1.12 -4.54 120.40 111.12 1qkb s VAL 388 Ca 0.00 -0.63 -0.04 0.00 -1.81 0.00 0.00 61.98 59.50 1qkb s VAL 388 Cb 0.00 -3.32 -0.03 0.00 0.56 0.00 0.00 36.38 33.59 1qkb s VAL 388 CO 0.00 0.14 -0.01 0.20 -0.31 0.00 0.00 175.10 175.12 1qkb s ASN 389 N -2.39 5.07 0.03 4.85 0.01 0.12 -3.48 114.94 119.15 1qkb s ASN 389 Ca 0.31 -0.03 0.07 0.00 -0.71 0.00 0.00 52.86 52.50 1qkb s ASN 389 Cb -0.12 -1.76 -0.02 0.00 0.41 0.00 0.00 41.25 39.75 1qkb s ASN 389 CO 0.23 0.21 -0.20 0.68 -1.51 0.00 0.00 177.10 176.52 1qkb s VAL 390 N 0.12 1.59 -0.29 1.60 -7.23 -1.26 -1.47 120.40 113.46 1qkb s VAL 390 Ca 0.01 -1.09 -0.08 0.00 -1.81 0.00 0.00 61.98 59.02 1qkb s VAL 390 Cb -0.13 -1.37 -0.00 0.00 0.56 0.00 0.00 36.38 35.43 1qkb s VAL 390 CO 0.02 0.25 0.10 0.20 -0.31 0.00 0.00 175.10 175.36 1qkb s ASN 391 N -0.98 5.24 0.20 4.85 0.02 0.04 -4.95 114.94 119.36 1qkb s ASN 391 Ca 0.07 -0.58 -0.30 0.00 -1.02 0.00 0.00 52.86 51.03 1qkb s ASN 391 Cb -0.08 -1.92 -0.08 0.00 0.02 0.00 0.00 41.25 39.19 1qkb s ASN 391 CO 0.01 -0.17 1.04 -0.76 0.02 0.00 0.00 177.10 177.24 1qkb s LEU 392 N 1.55 4.53 -0.04 0.60 1.02 -1.26 -0.79 118.68 124.29 1qkb s LEU 392 Ca 0.04 2.04 -0.00 0.00 0.02 0.00 0.00 54.13 56.22 1qkb s LEU 392 Cb -0.17 -3.61 0.03 0.00 0.02 0.00 0.00 46.19 42.46 1qkb s LEU 392 CO 0.04 -0.10 0.01 -1.61 0.02 0.00 0.00 176.35 174.70 1qkb s GLU 393 N -0.65 0.31 0.01 1.70 2.02 0.21 -4.90 118.70 117.40 1qkb s GLU 393 Ca 0.46 0.11 -0.01 0.00 0.02 0.00 0.00 54.97 55.55 1qkb s GLU 393 Cb -0.28 -0.56 -0.04 0.00 0.10 0.00 0.00 34.13 33.35 1qkb s GLU 393 CO 0.34 -0.18 0.15 0.54 0.02 0.00 0.00 175.26 176.14 1qkb s ASN 394 N 1.29 6.13 0.01 -0.19 4.22 -1.26 -0.55 114.94 124.60 1qkb s ASN 394 Ca -0.06 0.25 -0.00 0.00 -2.14 0.00 0.00 52.86 50.91 1qkb s ASN 394 Cb -0.13 -1.86 -0.01 0.00 1.28 0.00 0.00 41.25 40.52 1qkb s ASN 394 CO -0.02 0.24 -0.01 -1.10 -2.04 0.00 0.00 177.10 174.16 1qkb s GLN 395 N -2.04 0.23 0.69 3.55 -0.21 -0.62 -4.88 119.66 116.39 1qkb s GLN 395 Ca 0.28 -0.43 -0.16 0.00 0.02 0.00 0.00 55.36 55.07 1qkb s GLN 395 Cb -0.12 0.08 0.02 0.00 1.00 0.00 0.00 33.01 33.98 1qkb s GLN 395 CO 0.20 -0.04 1.20 -1.21 -2.12 0.00 0.00 175.29 173.31 1qkb s GLU 396 N -1.05 2.44 0.17 2.91 0.41 -1.26 -1.32 118.70 120.99 1qkb s GLU 396 Ca -0.12 1.73 -0.28 0.00 -0.41 0.00 0.00 54.97 55.90 1qkb s GLU 396 Cb -0.07 -1.87 0.00 0.00 -1.78 0.00 0.00 34.13 30.41 1qkb s GLU 396 CO -0.01 -1.60 1.56 2.35 -0.49 0.00 0.00 175.26 177.07 1qkb h TRP 397 N 0.04 -1.50 -0.97 1.61 2.91 -1.91 0.82 115.95 116.95 1qkb h TRP 397 Ca -0.48 0.10 0.01 0.00 1.13 0.00 0.00 58.89 59.65 1qkb h TRP 397 Cb 1.29 0.75 -0.05 0.00 -0.51 0.00 0.00 29.16 30.64 1qkb h TRP 397 CO 0.48 -0.42 0.64 -0.22 -1.03 0.00 0.00 178.44 177.89 1qkb h LYS 398 N -0.19 1.26 -0.34 2.65 3.64 -1.92 -1.86 116.57 119.81 1qkb h LYS 398 Ca 0.17 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 1qkb h LYS 398 Cb 0.54 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1qkb h LYS 398 CO -0.76 0.84 -0.17 1.15 -2.27 0.00 0.00 179.45 178.23 1qkb h THR 399 N 1.30 1.29 -0.48 1.00 2.02 -1.68 -2.63 112.91 113.72 1qkb h THR 399 Ca 0.36 -1.29 0.08 0.00 0.77 0.00 0.00 66.41 66.33 1qkb h THR 399 Cb -0.13 1.39 -0.07 0.00 -1.74 0.00 0.00 68.15 67.60 1qkb h THR 399 CO -0.08 0.42 0.08 0.15 0.37 0.00 0.00 175.52 176.46 1qkb h PHE 400 N 0.50 0.13 -0.65 3.16 3.57 -0.55 -0.09 116.94 123.02 1qkb h PHE 400 Ca 0.08 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 1qkb h PHE 400 Cb 0.71 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1qkb h PHE 400 CO 0.06 -0.02 0.10 -0.07 -2.23 0.00 0.00 178.31 176.15 1qkb h LEU 401 N 0.21 1.01 -0.69 0.59 3.38 -1.30 -2.32 115.31 116.19 1qkb h LEU 401 Ca 0.24 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1qkb h LEU 401 Cb 0.33 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1qkb h LEU 401 CO -0.33 1.01 0.33 -0.78 0.09 0.00 0.00 178.44 178.75 1qkb h ASP 402 N 0.99 0.91 -0.48 -0.43 3.58 -1.01 -1.51 116.42 118.48 1qkb h ASP 402 Ca 0.20 -0.14 0.04 0.00 0.42 0.00 0.00 57.03 57.55 1qkb h ASP 402 Cb 0.43 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.20 1qkb h ASP 402 CO 0.01 0.79 0.24 0.74 -2.88 0.00 0.00 179.24 178.15 1qkb h THR 403 N 0.97 0.96 -0.70 2.25 2.02 -0.87 0.37 112.91 117.90 1qkb h THR 403 Ca 0.24 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.19 1qkb h THR 403 Cb 0.13 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1qkb h THR 403 CO -0.03 0.09 0.17 0.03 0.37 0.00 0.00 175.52 176.15 1qkb h ARG 404 N 0.47 1.12 -0.56 6.66 3.08 -1.06 -1.21 114.38 122.89 1qkb h ARG 404 Ca 0.21 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1qkb h ARG 404 Cb 0.12 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1qkb h ARG 404 CO -0.15 0.98 0.12 0.45 -1.07 0.00 0.00 179.97 180.30 1qkb h HIS 405 N 1.05 0.90 0.00 3.04 3.86 -0.77 -2.46 115.15 120.77 1qkb h HIS 405 Ca 0.22 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1qkb h HIS 405 Cb 0.37 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1qkb h HIS 405 CO 0.03 0.76 -0.10 1.96 0.86 0.00 0.00 177.93 181.44 1qkb h GLN 406 N 0.83 0.00 -0.34 2.45 4.20 -0.54 -3.47 115.11 118.24 1qkb h GLN 406 Ca 0.18 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 1qkb h GLN 406 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1qkb h GLN 406 CO 0.00 0.10 -0.07 0.41 -0.67 0.00 0.00 178.83 178.60 1qkb n GLY 407 N -0.01 0.39 2.66 3.46 0.00 -0.51 -4.94 105.19 106.24 1qkb n GLY 407 Ca 0.00 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 1qkb n GLY 407 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qkb n THR 408 N -3.59 5.51 -3.92 2.61 -2.24 -0.89 -4.88 114.28 106.88 1qkb n THR 408 Ca -0.04 -5.41 -0.08 0.00 -2.27 0.00 0.00 64.05 56.25 1qkb n THR 408 Cb 0.37 -1.56 -0.04 0.00 -2.10 0.00 0.00 70.33 67.00 1qkb n THR 408 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1qkb s PHE 409 N -3.83 0.08 0.00 4.78 -0.71 -1.26 -4.95 117.98 112.08 1qkb s PHE 409 Ca 0.44 -0.48 0.00 0.00 -1.04 0.00 0.00 56.93 55.84 1qkb s PHE 409 Cb 0.24 0.44 0.00 0.00 -1.21 0.00 0.00 43.02 42.48 1qkb s PHE 409 CO -0.18 -1.10 0.00 -0.25 -1.34 0.00 0.00 175.22 172.36 1qkb n ASP 410 N -0.41 0.00 -4.16 1.98 8.00 -1.26 -4.71 116.55 115.99 1qkb n ASP 410 Ca -0.03 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.22 1qkb n ASP 410 Cb 0.61 -0.28 -0.16 0.00 -0.02 0.00 0.00 41.12 41.27 1qkb n ASP 410 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1qkb s VAL 411 N -0.76 1.38 0.03 2.53 1.01 -1.09 -1.00 120.40 122.51 1qkb s VAL 411 Ca 0.00 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.30 1qkb s VAL 411 Cb 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1qkb s VAL 411 CO 0.00 0.39 -0.16 0.00 0.00 0.00 0.00 175.10 175.33 1qkb s ALA 412 N -0.30 1.37 0.17 5.51 0.00 0.60 -1.26 121.76 127.85 1qkb s ALA 412 Ca 0.04 -0.85 -0.32 0.00 0.00 0.00 0.00 51.96 50.83 1qkb s ALA 412 Cb -0.08 -0.26 -0.10 0.00 0.00 0.00 0.00 23.12 22.67 1qkb s ALA 412 CO -0.00 0.29 1.61 0.50 0.00 0.00 0.00 175.76 178.16 1qkb s ARG 413 N -0.95 4.19 0.05 0.00 3.00 0.81 0.14 118.95 126.19 1qkb s ARG 413 Ca 0.04 2.42 -0.00 0.00 -1.00 0.00 0.00 55.73 57.19 1qkb s ARG 413 Cb -0.08 -3.14 -0.03 0.00 0.00 0.00 0.00 34.95 31.70 1qkb s ARG 413 CO 0.01 -0.64 -0.04 0.00 0.00 0.00 0.00 175.30 174.63 1qkb s ALA 414 N 1.17 0.49 -0.15 6.12 0.00 0.73 -4.82 121.76 125.30 1qkb s ALA 414 Ca 0.71 -1.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 1qkb s ALA 414 Cb -0.45 0.21 0.05 0.00 0.00 0.00 0.00 23.12 22.93 1qkb s ALA 414 CO 0.31 -0.27 0.37 0.20 0.00 0.00 0.00 175.76 176.38 1qkb s GLY 415 N -2.49 -0.29 -0.06 0.00 0.00 -1.26 -1.14 107.32 102.09 1qkb s GLY 415 Ca 0.01 1.34 0.04 0.00 0.00 0.00 0.00 44.72 46.11 1qkb s GLY 415 CO -0.06 1.44 -0.19 0.86 0.00 0.00 0.00 173.10 175.14 1qkb s TRP 416 N 1.11 1.96 -0.04 1.90 -0.11 -0.76 -4.96 118.94 118.04 1qkb s TRP 416 Ca -0.07 -0.62 0.04 0.00 1.22 0.00 0.00 56.10 56.67 1qkb s TRP 416 Cb -0.07 -1.32 -0.03 0.00 -1.50 0.00 0.00 33.47 30.55 1qkb s TRP 416 CO -0.09 -0.22 -0.14 0.00 -4.62 0.00 0.00 176.95 171.88 1qkb n ALA 418 N 2.17 1.01 -0.03 0.00 0.00 -0.02 -4.93 120.51 118.71 1qkb n ALA 418 Ca -0.17 0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.43 1qkb n ALA 418 Cb 0.52 -2.25 -0.16 0.00 0.00 0.00 0.00 19.45 17.57 1qkb n ALA 418 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qkb n ASP 419 N -0.63 0.07 -3.81 0.00 8.00 -1.26 -4.93 116.55 113.99 1qkb n ASP 419 Ca 0.11 0.03 -0.12 0.00 0.71 0.00 0.00 54.79 55.51 1qkb n ASP 419 Cb 0.44 1.52 -0.10 0.00 -0.02 0.00 0.00 41.12 42.97 1qkb n ASP 419 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1qkb s TYR 420 N -3.14 -0.12 -1.22 1.24 1.13 -1.26 -4.72 117.35 109.26 1qkb s TYR 420 Ca -0.08 0.22 -0.18 0.00 -1.41 0.00 0.00 57.07 55.61 1qkb s TYR 420 Cb 0.11 0.04 0.09 0.00 -1.10 0.00 0.00 41.96 41.09 1qkb s TYR 420 CO 0.87 -0.28 1.61 1.21 -2.51 0.00 0.00 175.55 176.45 1qkb s ASN 421 N -0.95 6.81 -0.22 -0.18 3.84 -1.26 -4.61 114.94 118.37 1qkb s ASN 421 Ca -0.10 -2.36 -0.27 0.00 0.21 0.00 0.00 52.86 50.34 1qkb s ASN 421 Cb -0.05 -2.54 0.09 0.00 -0.55 0.00 0.00 41.25 38.20 1qkb s ASN 421 CO 0.02 -1.15 0.82 -0.70 -2.79 0.00 0.00 177.10 173.30 1qkb s GLU 422 N 3.82 0.77 0.52 0.43 -6.30 -1.26 -4.35 118.70 112.33 1qkb s GLU 422 Ca 0.50 0.68 0.23 0.00 -2.50 0.00 0.00 54.97 53.88 1qkb s GLU 422 Cb 0.02 0.37 1.35 0.00 0.00 0.00 0.00 34.13 35.87 1qkb s GLU 422 CO 0.03 -0.14 2.00 -1.35 0.02 0.00 0.00 175.26 175.82 1qkb h PRO 423 N 4.18 0.04 0.00 4.30 0.11 -1.89 -1.25 132.00 137.51 1qkb h PRO 423 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1qkb h PRO 423 Cb 1.16 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1qkb h PRO 423 CO 0.15 0.03 0.00 1.79 -0.21 0.00 0.00 178.00 179.76 1qkb h THR 424 N 0.05 0.00 -0.19 -1.15 1.35 -1.95 -0.34 112.91 110.67 1qkb h THR 424 Ca 0.24 -0.24 0.02 0.00 -0.55 0.00 0.00 66.41 65.87 1qkb h THR 424 Cb 0.89 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 1qkb h THR 424 CO -0.01 0.00 0.13 -1.28 -0.25 0.00 0.00 175.52 174.11 1qkb h SER 425 N 0.00 0.16 0.00 5.36 0.87 -1.47 -0.28 113.55 118.18 1qkb h SER 425 Ca 0.00 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1qkb h SER 425 Cb 0.25 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1qkb h SER 425 CO 0.00 0.11 -0.72 -0.26 -0.53 0.00 0.00 176.83 175.44 1qkb h PHE 426 N 0.18 0.00 -0.55 2.24 -1.00 -1.44 -3.42 116.94 112.95 1qkb h PHE 426 Ca 0.08 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.90 1qkb h PHE 426 Cb 0.09 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.61 1qkb h PHE 426 CO -0.00 0.65 0.37 -0.07 -1.61 0.00 0.00 178.31 177.65 1qkb h LEU 427 N -1.00 0.52 -2.25 1.54 3.38 -0.90 -1.67 115.31 114.93 1qkb h LEU 427 Ca -0.14 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1qkb h LEU 427 Cb 0.80 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1qkb h LEU 427 CO -0.08 0.35 -0.04 0.78 0.09 0.00 0.00 178.44 179.53 1qkb h ASN 428 N 0.60 0.00 0.77 -0.43 2.35 -1.30 -1.60 115.58 115.97 1qkb h ASN 428 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1qkb h ASN 428 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1qkb h ASN 428 CO -0.06 0.04 0.00 0.35 -1.65 0.00 0.00 177.43 176.11 1qkb n THR 429 N -3.37 0.61 0.25 2.81 -2.24 -0.63 -2.42 114.28 109.29 1qkb n THR 429 Ca -0.02 0.12 0.11 0.00 -2.27 0.00 0.00 64.05 62.00 1qkb n THR 429 Cb 0.18 -0.82 0.21 0.00 -2.10 0.00 0.00 70.33 67.80 1qkb n THR 429 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1qkb n MET 430 N -1.64 2.45 -1.95 -0.78 2.81 -0.60 -3.38 117.12 114.03 1qkb n MET 430 Ca 0.05 -2.25 -0.39 0.00 -1.81 0.00 0.00 57.70 53.29 1qkb n MET 430 Cb 0.25 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.28 1qkb n MET 430 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1qkb s LEU 431 N -1.41 4.15 0.26 4.03 1.43 -1.02 -4.75 118.68 121.38 1qkb s LEU 431 Ca 0.37 2.75 -0.04 0.00 -1.03 0.00 0.00 54.13 56.19 1qkb s LEU 431 Cb 0.22 -3.95 0.54 0.00 0.03 0.00 0.00 46.19 43.03 1qkb s LEU 431 CO 0.30 -1.02 1.64 0.28 0.23 0.00 0.00 176.35 177.78 1qkb h SER 432 N 2.45 -0.25 -0.60 2.29 0.02 -1.88 -1.33 113.55 114.27 1qkb h SER 432 Ca -0.50 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1qkb h SER 432 Cb 1.26 0.33 0.00 0.00 0.14 0.00 0.00 62.40 64.12 1qkb h SER 432 CO 0.62 -0.18 0.00 -0.90 -1.14 0.00 0.00 176.83 175.23 1qkb n ASP 433 N -5.31 5.16 -4.74 3.07 5.75 -1.26 -4.88 116.55 114.33 1qkb n ASP 433 Ca 0.16 -2.68 -0.41 0.00 -0.01 0.00 0.00 54.79 51.85 1qkb n ASP 433 Cb 0.55 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 39.98 1qkb n ASP 433 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1qkb s SER 434 N -0.81 7.03 0.62 -1.12 0.15 -0.50 -4.91 113.70 114.16 1qkb s SER 434 Ca 0.52 2.31 0.39 0.00 0.70 0.00 0.00 55.95 59.87 1qkb s SER 434 Cb 0.36 -2.61 2.02 0.00 -1.71 0.00 0.00 66.02 64.09 1qkb s SER 434 CO 0.20 -0.41 2.24 0.77 1.20 0.00 0.00 173.24 177.24 1qkb h SER 435 N 5.04 0.00 -0.03 5.45 4.64 -1.91 -1.19 113.55 125.54 1qkb h SER 435 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1qkb h SER 435 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1qkb h SER 435 CO 0.74 0.01 0.00 0.59 -0.87 0.00 0.00 176.83 177.30 1qkb n ASN 436 N -3.19 1.86 -4.56 4.97 4.13 -1.24 -4.80 115.26 112.43 1qkb n ASN 436 Ca -0.02 -1.63 -0.42 0.00 1.68 0.00 0.00 54.58 54.19 1qkb n ASN 436 Cb 0.15 -0.01 -0.02 0.00 -1.54 0.00 0.00 39.78 38.36 1qkb n ASN 436 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1qkb s ASN 437 N -1.96 6.64 0.00 6.41 3.84 -0.45 -4.69 114.94 124.72 1qkb s ASN 437 Ca 0.36 -1.86 0.27 0.00 0.21 0.00 0.00 52.86 51.84 1qkb s ASN 437 Cb 0.21 -2.57 0.91 0.00 -0.55 0.00 0.00 41.25 39.25 1qkb s ASN 437 CO 0.32 -1.36 1.68 0.35 -2.79 0.00 0.00 177.10 175.30 1qkb n THR 438 N 6.63 0.00 0.50 -5.21 -2.24 -1.26 -2.95 114.28 109.75 1qkb n THR 438 Ca 0.39 -0.04 0.13 0.00 -2.27 0.00 0.00 64.05 62.26 1qkb n THR 438 Cb 0.49 0.02 0.37 0.00 -2.10 0.00 0.00 70.33 69.12 1qkb n THR 438 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qkb h ALA 439 N 3.30 1.00 -6.17 6.98 0.00 -1.84 -3.46 119.26 119.08 1qkb h ALA 439 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 1qkb h ALA 439 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1qkb h ALA 439 CO 0.00 0.00 -0.76 0.72 0.00 0.00 0.00 179.25 179.21 1qkb n HIS 440 N -2.48 -2.34 -3.40 0.00 8.25 -1.15 -1.04 115.22 113.06 1qkb n HIS 440 Ca 0.05 0.92 -0.37 0.00 -0.26 0.00 0.00 57.72 58.05 1qkb n HIS 440 Cb 0.43 -4.27 -0.06 0.00 1.12 0.00 0.00 29.99 27.21 1qkb n HIS 440 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1qkb s TYR 441 N -3.37 3.48 -0.27 4.41 5.04 -1.26 -3.99 117.35 121.39 1qkb s TYR 441 Ca 0.52 0.76 -0.02 0.00 -2.44 0.00 0.00 57.07 55.88 1qkb s TYR 441 Cb -0.25 -2.48 0.09 0.00 0.35 0.00 0.00 41.96 39.67 1qkb s TYR 441 CO 0.81 0.17 0.09 0.15 -1.34 0.00 0.00 175.55 175.43 1qkb s LYS 442 N 0.64 0.51 -0.17 4.97 1.02 -1.26 -4.14 119.74 121.30 1qkb s LYS 442 Ca 0.22 -0.69 -0.00 0.00 0.02 0.00 0.00 55.97 55.52 1qkb s LYS 442 Cb -0.14 -1.77 0.04 0.00 -0.52 0.00 0.00 37.83 35.44 1qkb s LYS 442 CO 0.08 -0.89 -0.06 0.45 -0.92 0.00 0.00 175.35 174.01 1qkb s SER 443 N 1.85 2.93 0.37 2.83 0.15 -1.26 -5.00 113.70 115.56 1qkb s SER 443 Ca 0.06 -0.70 0.06 0.00 0.70 0.00 0.00 55.95 56.07 1qkb s SER 443 Cb -0.17 -0.96 0.71 0.00 -1.71 0.00 0.00 66.02 63.89 1qkb s SER 443 CO -0.23 -0.18 1.93 -0.65 1.20 0.00 0.00 173.24 175.31 1qkb h PRO 444 N 8.10 0.47 -0.27 5.44 0.11 -1.99 0.03 132.00 143.89 1qkb h PRO 444 Ca -0.25 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 1qkb h PRO 444 Cb 1.11 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1qkb h PRO 444 CO 0.41 0.46 0.04 0.00 -0.21 0.00 0.00 178.00 178.71 1qkb h ALA 445 N 1.60 0.36 -0.15 -0.75 0.00 -1.99 -0.88 119.26 117.44 1qkb h ALA 445 Ca 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1qkb h ALA 445 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1qkb h ALA 445 CO 0.00 0.05 0.08 0.35 0.00 0.00 0.00 179.25 179.72 1qkb h PHE 446 N 0.26 0.20 -0.60 0.00 3.04 -1.83 -1.99 116.94 116.02 1qkb h PHE 446 Ca 0.08 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.13 1qkb h PHE 446 Cb 0.34 -0.06 -0.08 0.00 2.56 0.00 0.00 35.95 38.71 1qkb h PHE 446 CO 0.02 0.22 0.19 -0.44 -2.02 0.00 0.00 178.31 176.28 1qkb h ASP 447 N 0.13 0.13 -0.46 0.41 3.32 -0.84 -2.41 116.42 116.70 1qkb h ASP 447 Ca 0.05 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1qkb h ASP 447 Cb 0.09 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1qkb h ASP 447 CO -0.01 0.08 0.29 0.50 -1.72 0.00 0.00 179.24 178.39 1qkb h LYS 448 N 0.34 0.62 -0.41 3.56 1.63 -0.93 -0.33 116.57 121.06 1qkb h LYS 448 Ca 0.31 -0.05 0.05 0.00 -0.85 0.00 0.00 60.65 60.12 1qkb h LYS 448 Cb 0.42 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.87 1qkb h LYS 448 CO -0.34 0.44 0.13 -0.07 -3.45 0.00 0.00 179.45 176.15 1qkb h LEU 449 N 0.62 0.12 -0.57 5.20 3.38 -0.89 -1.57 115.31 121.60 1qkb h LEU 449 Ca 0.17 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 1qkb h LEU 449 Cb -0.04 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1qkb h LEU 449 CO -0.03 0.10 -0.16 0.40 0.09 0.00 0.00 178.44 178.84 1qkb h ILE 450 N 0.29 1.27 -0.81 1.22 1.08 -1.13 -3.00 117.51 116.42 1qkb h ILE 450 Ca 0.19 -1.31 0.04 0.00 -0.39 0.00 0.00 64.86 63.39 1qkb h ILE 450 Cb 0.19 1.05 -0.05 0.00 -3.07 0.00 0.00 36.82 34.94 1qkb h ILE 450 CO -0.21 0.46 0.53 0.00 -0.69 0.00 0.00 178.15 178.24 1qkb h ALA 451 N 0.95 1.53 0.00 1.87 0.00 -0.71 -1.80 119.26 121.11 1qkb h ALA 451 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1qkb h ALA 451 Cb 0.72 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1qkb h ALA 451 CO 0.06 0.38 -0.06 -0.44 0.00 0.00 0.00 179.25 179.18 1qkb h ASP 452 N 0.98 0.00 0.29 0.00 3.32 -1.15 -3.20 116.42 116.65 1qkb h ASP 452 Ca 0.33 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 1qkb h ASP 452 Cb 0.08 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1qkb h ASP 452 CO -0.10 0.06 -0.11 0.71 -1.72 0.00 0.00 179.24 178.08 1qkb h THR 453 N 0.00 0.63 -0.32 0.35 1.35 -1.27 -2.11 112.91 111.54 1qkb h THR 453 Ca -0.00 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1qkb h THR 453 Cb 0.31 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1qkb h THR 453 CO 0.01 0.11 0.00 0.18 -0.25 0.00 0.00 175.52 175.57 1qkb n LEU 454 N -3.75 3.13 -0.09 3.87 4.77 -1.21 -4.11 117.00 119.61 1qkb n LEU 454 Ca -0.02 -1.50 0.11 0.00 -0.03 0.00 0.00 56.01 54.57 1qkb n LEU 454 Cb 0.22 -0.20 0.13 0.00 -2.33 0.00 0.00 43.42 41.23 1qkb n LEU 454 CO 0.30 0.68 0.31 0.29 -1.33 0.00 0.00 177.39 177.65 1qkb n LYS 455 N 1.19 0.26 -4.14 3.23 5.02 -0.80 -4.69 118.16 118.23 1qkb n LYS 455 Ca 0.16 -0.18 -0.24 0.00 -2.02 0.00 0.00 58.31 56.03 1qkb n LYS 455 Cb 0.52 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.98 1qkb n LYS 455 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1qkb s VAL 456 N -2.87 4.23 -0.33 -0.18 -7.23 -1.21 -5.04 120.40 107.77 1qkb s VAL 456 Ca 0.13 -1.40 0.08 0.00 -1.81 0.00 0.00 61.98 58.98 1qkb s VAL 456 Cb 0.17 -3.23 0.45 0.00 0.56 0.00 0.00 36.38 34.33 1qkb s VAL 456 CO 0.71 -0.27 1.15 0.00 -0.31 0.00 0.00 175.10 176.39 1qkb n ALA 457 N -0.81 4.78 -3.67 1.32 0.00 -1.26 -4.99 120.51 115.87 1qkb n ALA 457 Ca -0.08 -3.84 -0.15 0.00 0.00 0.00 0.00 53.44 49.37 1qkb n ALA 457 Cb 0.57 -0.46 -0.16 0.00 0.00 0.00 0.00 19.45 19.41 1qkb n ALA 457 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qkb s ASP 458 N -3.58 0.05 0.19 0.00 -1.08 -1.26 -5.05 116.67 105.94 1qkb s ASP 458 Ca 0.47 0.05 -0.10 0.00 -0.52 0.00 0.00 52.55 52.46 1qkb s ASP 458 Cb 0.40 -0.05 0.10 0.00 -1.46 0.00 0.00 42.92 41.92 1qkb s ASP 458 CO -0.03 -0.12 1.72 0.44 0.52 0.00 0.00 175.17 177.70 1qkb h ASP 459 N 7.17 1.00 -0.53 -0.34 3.32 -1.98 -1.74 116.42 123.32 1qkb h ASP 459 Ca -0.43 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 56.33 1qkb h ASP 459 Cb 1.13 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 1qkb h ASP 459 CO 0.48 0.95 0.04 0.74 -1.72 0.00 0.00 179.24 179.73 1qkb h THR 460 N 0.99 1.26 -0.56 0.35 2.02 -1.99 0.82 112.91 115.81 1qkb h THR 460 Ca 0.22 -1.02 -0.06 0.00 0.77 0.00 0.00 66.41 66.32 1qkb h THR 460 Cb 0.32 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1qkb h THR 460 CO -0.00 0.36 0.12 1.56 0.37 0.00 0.00 175.52 177.93 1qkb h GLN 461 N 0.78 0.91 -0.31 6.66 4.20 -1.97 -0.84 115.11 124.53 1qkb h GLN 461 Ca 0.15 -0.23 0.03 0.00 0.06 0.00 0.00 58.65 58.66 1qkb h GLN 461 Cb 0.46 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1qkb h GLN 461 CO 0.02 0.86 0.14 0.00 -0.67 0.00 0.00 178.83 179.18 1qkb h ARG 462 N 0.81 0.29 -0.75 1.46 3.08 -1.02 -1.06 114.38 117.18 1qkb h ARG 462 Ca 0.17 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 1qkb h ARG 462 Cb 0.37 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1qkb h ARG 462 CO 0.00 0.19 0.36 0.77 -1.07 0.00 0.00 179.97 180.22 1qkb h SER 463 N 0.30 0.97 -0.71 7.04 0.02 -0.58 -0.48 113.55 120.12 1qkb h SER 463 Ca 0.13 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1qkb h SER 463 Cb 0.06 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 1qkb h SER 463 CO -0.11 0.82 0.31 -0.33 -1.14 0.00 0.00 176.83 176.39 1qkb h GLU 464 N 1.07 1.05 -0.67 3.45 5.08 -0.89 -1.10 114.58 122.57 1qkb h GLU 464 Ca 0.26 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 1qkb h GLU 464 Cb 0.11 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1qkb h GLU 464 CO -0.03 0.85 0.11 -0.07 -1.00 0.00 0.00 179.01 178.87 1qkb h LEU 465 N 1.01 1.06 -0.58 1.33 3.38 -0.66 -0.61 115.31 120.24 1qkb h LEU 465 Ca 0.24 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1qkb h LEU 465 Cb 0.18 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1qkb h LEU 465 CO -0.02 1.05 0.15 1.88 0.09 0.00 0.00 178.44 181.58 1qkb h TYR 466 N 1.03 0.97 -0.48 1.13 0.05 -0.81 0.17 116.97 119.02 1qkb h TYR 466 Ca 0.20 -0.11 0.03 0.00 0.05 0.00 0.00 58.73 58.90 1qkb h TYR 466 Cb 0.44 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.87 1qkb h TYR 466 CO 0.03 0.82 0.28 0.00 -1.05 0.00 0.00 178.16 178.24 1qkb h ALA 467 N 1.03 0.62 -0.21 3.88 0.00 -0.92 -0.03 119.26 123.64 1qkb h ALA 467 Ca 0.18 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1qkb h ALA 467 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1qkb h ALA 467 CO 0.00 -0.04 -0.27 0.87 0.00 0.00 0.00 179.25 179.81 1qkb h LYS 468 N 0.55 0.39 -0.60 0.00 1.79 -0.83 -0.79 116.57 117.09 1qkb h LYS 468 Ca 0.20 -0.15 -0.09 0.00 -2.18 0.00 0.00 60.65 58.43 1qkb h LYS 468 Cb 0.04 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 1qkb h LYS 468 CO -0.10 0.64 0.01 0.00 -1.08 0.00 0.00 179.45 178.92 1qkb h ALA 469 N 1.37 0.89 -0.63 3.86 0.00 -0.38 0.59 119.26 124.96 1qkb h ALA 469 Ca 0.05 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1qkb h ALA 469 Cb 0.67 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1qkb h ALA 469 CO 0.05 0.66 0.03 0.93 0.00 0.00 0.00 179.25 180.92 1qkb h GLU 470 N 0.95 1.08 -0.82 0.00 4.39 -0.58 -1.00 114.58 118.60 1qkb h GLU 470 Ca 0.17 -0.32 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 1qkb h GLU 470 Cb 0.53 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 1qkb h GLU 470 CO 0.03 1.03 0.39 1.96 -1.16 0.00 0.00 179.01 181.26 1qkb h GLN 471 N 0.99 1.18 -0.44 2.33 4.20 -0.49 -0.42 115.11 122.45 1qkb h GLN 471 Ca 0.18 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1qkb h GLN 471 Cb 0.52 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1qkb h GLN 471 CO 0.03 0.90 0.27 0.37 -0.67 0.00 0.00 178.83 179.73 1qkb h GLN 472 N 1.17 0.60 -0.55 1.46 5.75 -0.52 0.20 115.11 123.22 1qkb h GLN 472 Ca 0.28 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.74 1qkb h GLN 472 Cb 0.12 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 1qkb h GLN 472 CO -0.04 0.44 0.34 1.25 -2.65 0.00 0.00 178.83 178.18 1qkb h LEU 473 N 0.59 0.57 -0.40 -2.39 5.85 -0.77 -1.67 115.31 117.09 1qkb h LEU 473 Ca 0.16 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1qkb h LEU 473 Cb -0.00 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1qkb h LEU 473 CO -0.03 0.40 0.17 -0.78 -0.34 0.00 0.00 178.44 177.86 1qkb h ASP 474 N 0.68 0.55 -0.31 1.25 3.58 -0.74 -0.49 116.42 120.94 1qkb h ASP 474 Ca 0.21 -0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 1qkb h ASP 474 Cb -0.02 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 1qkb h ASP 474 CO -0.08 0.56 0.12 0.50 -2.88 0.00 0.00 179.24 177.46 1qkb h LYS 475 N 0.50 0.54 -0.00 0.28 3.64 -0.46 -0.68 116.57 120.39 1qkb h LYS 475 Ca 0.13 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1qkb h LYS 475 Cb 0.18 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1qkb h LYS 475 CO -0.01 0.48 -0.19 -0.25 -2.27 0.00 0.00 179.45 177.20 1qkb n ASP 476 N -4.36 0.41 -3.87 4.20 8.00 -0.64 -4.94 116.55 115.35 1qkb n ASP 476 Ca 0.02 -0.28 -0.31 0.00 0.71 0.00 0.00 54.79 54.93 1qkb n ASP 476 Cb 0.16 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.20 1qkb n ASP 476 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1qkb n SER 477 N -1.19 -2.84 -0.14 -2.24 7.64 -0.23 -4.84 113.62 109.78 1qkb n SER 477 Ca 0.10 -1.06 -0.05 0.00 1.01 0.00 0.00 58.87 58.87 1qkb n SER 477 Cb 0.31 -2.95 0.13 0.00 -1.01 0.00 0.00 64.21 60.70 1qkb n SER 477 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qkb h ALA 478 N 0.94 1.06 -2.05 -0.43 0.00 -1.74 -3.44 119.26 113.61 1qkb h ALA 478 Ca -0.66 -0.27 -0.51 0.00 0.00 0.00 0.00 54.91 53.48 1qkb h ALA 478 Cb 1.37 -0.21 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 1qkb h ALA 478 CO 0.55 0.59 -0.52 0.96 0.00 0.00 0.00 179.25 180.84 1qkb s ILE 479 N -5.04 0.44 -0.47 0.00 -4.36 -1.26 -4.00 121.20 106.50 1qkb s ILE 479 Ca -0.10 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.29 1qkb s ILE 479 Cb 0.15 -2.42 0.13 0.00 1.25 0.00 0.00 42.46 41.56 1qkb s ILE 479 CO 0.82 0.00 0.25 -0.69 0.24 0.00 0.00 174.94 175.56 1qkb s VAL 480 N -3.35 3.06 0.28 8.37 1.01 -0.29 -4.88 120.40 124.61 1qkb s VAL 480 Ca 0.30 -2.60 -0.30 0.00 0.00 0.00 0.00 61.98 59.38 1qkb s VAL 480 Cb 0.03 -3.10 -0.11 0.00 0.00 0.00 0.00 36.38 33.21 1qkb s VAL 480 CO 0.18 -0.74 1.53 -2.84 0.00 0.00 0.00 175.10 173.22 1qkb s PRO 481 N 0.49 4.18 0.02 2.72 0.02 -1.26 -0.42 135.00 140.75 1qkb s PRO 481 Ca 0.13 2.47 -0.03 0.00 0.02 0.00 0.00 61.00 63.59 1qkb s PRO 481 Cb -0.22 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.24 1qkb s PRO 481 CO -0.04 -0.55 -0.05 0.28 -0.33 0.00 0.00 177.00 176.31 1qkb n VAL 482 N 2.16 0.87 -3.67 3.83 0.31 -0.12 -4.72 118.33 116.99 1qkb n VAL 482 Ca 0.07 0.27 -0.11 0.00 -0.01 0.00 0.00 64.34 64.57 1qkb n VAL 482 Cb 0.39 -1.55 -0.05 0.00 -0.91 0.00 0.00 33.84 31.71 1qkb n VAL 482 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1qkb s TYR 483 N -1.81 -0.18 -0.16 3.52 -0.85 -0.95 -1.37 117.35 115.55 1qkb s TYR 483 Ca -0.05 -0.09 -0.18 0.00 -0.52 0.00 0.00 57.07 56.23 1qkb s TYR 483 Cb 0.01 0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.52 1qkb s TYR 483 CO 0.07 -0.65 0.48 0.71 -1.52 0.00 0.00 175.55 174.64 1qkb s TYR 484 N -3.50 3.44 0.65 -3.49 2.02 0.11 -0.57 117.35 116.01 1qkb s TYR 484 Ca 0.01 0.81 -0.16 0.00 -0.37 0.00 0.00 57.07 57.36 1qkb s TYR 484 Cb 0.02 -2.60 -0.01 0.00 -0.40 0.00 0.00 41.96 38.97 1qkb s TYR 484 CO -0.10 0.04 1.12 0.71 -1.57 0.00 0.00 175.55 175.75 1qkb s TYR 485 N 1.13 2.58 0.18 2.71 1.51 -0.34 -2.38 117.35 122.74 1qkb s TYR 485 Ca 0.24 1.55 0.06 0.00 -1.01 0.00 0.00 57.07 57.91 1qkb s TYR 485 Cb -0.15 -3.21 -0.04 0.00 -0.11 0.00 0.00 41.96 38.45 1qkb s TYR 485 CO 0.10 -1.75 0.12 0.14 -1.11 0.00 0.00 175.55 173.05 1qkb s VAL 486 N -2.22 4.35 -0.89 0.71 -7.23 -1.26 -3.92 120.40 109.94 1qkb s VAL 486 Ca 0.68 -1.21 -0.18 0.00 -1.81 0.00 0.00 61.98 59.47 1qkb s VAL 486 Cb -0.22 -3.24 0.14 0.00 0.56 0.00 0.00 36.38 33.63 1qkb s VAL 486 CO 0.39 -0.16 1.04 0.21 -0.31 0.00 0.00 175.10 176.28 1qkb s ASN 487 N -3.23 6.63 -0.20 4.85 3.84 0.11 -4.88 114.94 122.06 1qkb s ASN 487 Ca 0.31 -2.12 -0.06 0.00 0.21 0.00 0.00 52.86 51.20 1qkb s ASN 487 Cb -0.09 -2.36 -0.03 0.00 -0.55 0.00 0.00 41.25 38.22 1qkb s ASN 487 CO 0.23 -0.98 0.02 0.00 -2.79 0.00 0.00 177.10 173.58 1qkb s ALA 488 N 2.25 3.13 0.22 1.71 0.00 -1.26 -2.26 121.76 125.56 1qkb s ALA 488 Ca 0.29 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 1qkb s ALA 488 Cb -0.07 -1.83 0.02 0.00 0.00 0.00 0.00 23.12 21.24 1qkb s ALA 488 CO -0.08 -0.09 0.55 -0.98 0.00 0.00 0.00 175.76 175.16 1qkb s ARG 489 N 0.88 1.47 -0.12 0.00 1.70 -0.61 -3.97 118.95 118.31 1qkb s ARG 489 Ca 0.02 -0.94 -0.05 0.00 -0.47 0.00 0.00 55.73 54.29 1qkb s ARG 489 Cb -0.14 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 1qkb s ARG 489 CO 0.02 -0.63 0.07 -0.51 -1.08 0.00 0.00 175.30 173.17 1qkb s LEU 490 N -2.90 3.95 -0.06 -1.89 1.43 -1.26 -0.67 118.68 117.28 1qkb s LEU 490 Ca 0.12 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1qkb s LEU 490 Cb -0.02 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.28 1qkb s LEU 490 CO 0.01 0.35 -0.05 -0.69 0.23 0.00 0.00 176.35 176.20 1qkb s VAL 491 N -0.70 0.61 0.67 -1.59 1.01 -0.70 -1.10 120.40 118.60 1qkb s VAL 491 Ca 0.12 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 1qkb s VAL 491 Cb -0.12 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.62 1qkb s VAL 491 CO 0.02 0.26 1.21 -0.54 0.00 0.00 0.00 175.10 176.05 1qkb s LYS 492 N 1.21 2.51 0.56 2.72 -0.14 -0.63 -4.60 119.74 121.37 1qkb s LYS 492 Ca -0.06 1.77 0.24 0.00 -1.36 0.00 0.00 55.97 56.57 1qkb s LYS 492 Cb -0.14 -1.88 1.59 0.00 -1.68 0.00 0.00 37.83 35.73 1qkb s LYS 492 CO -0.02 -1.55 2.19 -1.35 -0.76 0.00 0.00 175.35 173.87 1qkb h PRO 493 N 0.20 0.00 -0.00 -1.68 0.11 -1.92 -1.61 132.00 127.09 1qkb h PRO 493 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1qkb h PRO 493 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1qkb h PRO 493 CO 0.52 0.00 -0.10 -2.67 -0.21 0.00 0.00 178.00 175.55 1qkb n TRP 494 N -4.11 0.00 -2.90 0.65 2.14 -1.26 -4.74 117.44 107.21 1qkb n TRP 494 Ca -0.02 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.12 1qkb n TRP 494 Cb 0.13 -0.15 -0.05 0.00 -0.81 0.00 0.00 31.31 30.43 1qkb n TRP 494 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1qkb s VAL 495 N -2.39 4.60 0.25 -1.67 1.01 -0.61 -0.22 120.40 121.37 1qkb s VAL 495 Ca 0.31 0.66 0.02 0.00 0.00 0.00 0.00 61.98 62.97 1qkb s VAL 495 Cb 0.20 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1qkb s VAL 495 CO 0.46 -0.70 0.41 -0.83 0.00 0.00 0.00 175.10 174.44 1qkb s GLY 496 N 2.11 1.40 0.00 4.51 0.00 0.60 -4.60 107.32 111.34 1qkb s GLY 496 Ca 0.33 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1qkb s GLY 496 CO 0.23 -1.03 0.00 0.61 0.00 0.00 0.00 173.10 172.91 1qkb n GLY 497 N -1.30 0.65 3.30 0.20 0.00 -1.26 -1.75 105.19 105.02 1qkb n GLY 497 Ca -0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 1qkb n GLY 497 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qkb s TYR 498 N -2.44 3.35 0.01 1.61 5.04 -1.26 -4.78 117.35 118.87 1qkb s TYR 498 Ca 0.00 -1.49 -0.21 0.00 -2.44 0.00 0.00 57.07 52.93 1qkb s TYR 498 Cb 0.00 -3.75 -0.20 0.00 0.35 0.00 0.00 41.96 38.36 1qkb s TYR 498 CO 0.00 -1.01 1.16 1.79 -1.34 0.00 0.00 175.55 176.15 1qkb h THR 499 N 5.77 1.43 0.00 4.34 1.35 -1.96 -3.47 112.91 120.36 1qkb h THR 499 Ca -0.23 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.81 1qkb h THR 499 Cb 1.09 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 1qkb h THR 499 CO 0.97 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 177.38 1qkb n GLY 500 N 0.79 0.66 0.21 5.82 0.00 -1.26 -4.93 105.19 106.47 1qkb n GLY 500 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1qkb n GLY 500 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qkb h LYS 501 N 2.00 0.00 -6.00 1.61 1.79 -1.88 -3.43 116.57 110.66 1qkb h LYS 501 Ca 0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 1qkb h LYS 501 Cb 0.00 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.55 1qkb h LYS 501 CO 0.00 0.00 0.52 0.34 -1.08 0.00 0.00 179.45 179.23 1qkb s ASP 502 N -6.04 6.60 0.13 0.86 2.15 -1.24 -4.82 116.67 114.31 1qkb s ASP 502 Ca 0.07 0.40 0.18 0.00 0.43 0.00 0.00 52.55 53.63 1qkb s ASP 502 Cb 0.06 -2.44 0.77 0.00 -0.30 0.00 0.00 42.92 41.01 1qkb s ASP 502 CO 0.67 -0.86 1.56 -0.81 -0.17 0.00 0.00 175.17 175.56 1qkb n PRO 503 N 6.74 0.09 0.02 4.34 -0.04 -1.26 -1.11 135.00 143.78 1qkb n PRO 503 Ca 0.05 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1qkb n PRO 503 Cb 0.48 -1.68 0.12 0.00 -0.04 0.00 0.00 33.50 32.38 1qkb n PRO 503 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1qkb n LEU 504 N -1.85 0.63 -3.78 1.53 4.77 -1.26 -0.82 117.00 116.22 1qkb n LEU 504 Ca 0.02 -0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.72 1qkb n LEU 504 Cb 0.18 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1qkb n LEU 504 CO 0.15 0.09 -0.00 -0.67 -1.33 0.00 0.00 177.39 175.63 1qkb n ASP 505 N -1.73 -2.51 -4.20 -1.43 2.03 -0.26 -4.88 116.55 103.56 1qkb n ASP 505 Ca 0.04 -0.80 -0.43 0.00 0.52 0.00 0.00 54.79 54.11 1qkb n ASP 505 Cb 0.38 -4.00 0.00 0.00 -0.72 0.00 0.00 41.12 36.78 1qkb n ASP 505 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1qkb n ASN 506 N -2.98 5.12 -4.77 1.67 3.02 -1.26 -4.98 115.26 111.08 1qkb n ASN 506 Ca -0.18 -3.03 -0.38 0.00 -0.03 0.00 0.00 54.58 50.97 1qkb n ASN 506 Cb 0.62 -1.54 -0.06 0.00 -0.61 0.00 0.00 39.78 38.19 1qkb n ASN 506 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1qkb s ILE 507 N 1.23 4.07 -0.15 2.41 -1.09 -1.26 -4.86 121.20 121.55 1qkb s ILE 507 Ca 0.42 1.84 0.02 0.00 -2.23 0.00 0.00 60.65 60.70 1qkb s ILE 507 Cb 0.03 -4.08 0.02 0.00 -1.58 0.00 0.00 42.46 36.85 1qkb s ILE 507 CO 0.00 0.26 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.47 1qkb s TYR 508 N -1.45 2.57 0.47 3.97 1.51 -1.26 -4.83 117.35 118.32 1qkb s TYR 508 Ca 0.47 -1.39 0.37 0.00 -1.01 0.00 0.00 57.07 55.51 1qkb s TYR 508 Cb -0.22 -1.78 1.91 0.00 -0.11 0.00 0.00 41.96 41.75 1qkb s TYR 508 CO 0.28 -0.68 2.20 0.28 -1.11 0.00 0.00 175.55 176.53 1qkb h VAL 509 N 5.91 0.18 0.00 0.71 2.07 -1.93 -1.40 116.25 121.79 1qkb h VAL 509 Ca -0.38 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1qkb h VAL 509 Cb 1.16 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1qkb h VAL 509 CO 0.57 0.03 0.00 0.07 0.02 0.00 0.00 177.57 178.26 1qkb h LYS 510 N 0.00 0.00 -0.01 1.57 2.10 -1.95 -1.55 116.57 116.73 1qkb h LYS 510 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1qkb h LYS 510 Cb 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 1qkb h LYS 510 CO 0.00 0.00 -0.42 0.09 -2.00 0.00 0.00 179.45 177.12 1qkb n ASN 511 N -2.73 1.39 -4.99 7.07 3.02 -0.53 -0.04 115.26 118.45 1qkb n ASN 511 Ca -0.02 -1.10 -0.19 0.00 -0.03 0.00 0.00 54.58 53.24 1qkb n ASN 511 Cb 0.07 0.35 0.02 0.00 -0.61 0.00 0.00 39.78 39.61 1qkb n ASN 511 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qkb s LEU 512 N -2.57 3.50 -0.03 3.41 1.43 -0.59 -4.45 118.68 119.39 1qkb s LEU 512 Ca 0.20 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 1qkb s LEU 512 Cb 0.18 -2.65 0.07 0.00 0.03 0.00 0.00 46.19 43.82 1qkb s LEU 512 CO 0.58 -0.93 0.68 -0.72 0.23 0.00 0.00 176.35 176.19 1qkb s TYR 513 N -2.51 -0.63 -0.27 0.29 1.13 -0.72 -4.09 117.35 110.54 1qkb s TYR 513 Ca 0.56 1.00 -0.10 0.00 -1.41 0.00 0.00 57.07 57.12 1qkb s TYR 513 Cb -0.10 0.43 -0.04 0.00 -1.10 0.00 0.00 41.96 41.15 1qkb s TYR 513 CO 0.35 -0.63 0.16 0.42 -2.51 0.00 0.00 175.55 173.34 1qkb s ILE 514 N -1.54 5.03 0.26 -3.49 -1.09 -1.26 -0.29 121.20 118.82 1qkb s ILE 514 Ca -0.09 0.06 -0.29 0.00 -2.23 0.00 0.00 60.65 58.10 1qkb s ILE 514 Cb -0.00 -3.40 -0.09 0.00 -1.58 0.00 0.00 42.46 37.39 1qkb s ILE 514 CO 0.07 0.26 0.95 -0.63 -1.23 0.00 0.00 174.94 174.36 1qkb s ILE 515 N 1.72 4.08 0.15 2.92 1.01 0.69 -0.89 121.20 130.87 1qkb s ILE 515 Ca 0.07 1.99 -0.34 0.00 0.00 0.00 0.00 60.65 62.37 1qkb s ILE 515 Cb -0.16 -4.23 -0.15 0.00 0.01 0.00 0.00 42.46 37.93 1qkb s ILE 515 CO 0.09 0.40 1.49 1.17 0.00 0.00 0.00 174.94 178.09 1qkb n LYS 516 N 1.24 1.83 0.00 2.79 4.81 0.06 -4.42 118.16 124.47 1qkb n LYS 516 Ca -0.01 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1qkb n LYS 516 Cb 0.48 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.15 1qkb n LYS 516 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18