#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkw h LEU 31 N 0.00 0.05 -9.77 1.53 3.38 -2.03 -3.45 115.31 105.02 2qkw h LEU 31 Ca 0.00 -0.61 -0.64 0.00 0.09 0.00 0.00 57.88 56.73 2qkw h LEU 31 Cb 0.00 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 2qkw h LEU 31 CO 0.00 1.48 -0.44 0.68 0.09 0.00 0.00 178.44 180.25 2qkw s VAL 32 N -2.37 5.38 -0.27 1.22 -7.23 -1.26 -5.07 120.40 110.79 2qkw s VAL 32 Ca -0.27 0.05 -0.11 0.00 -1.81 0.00 0.00 61.98 59.84 2qkw s VAL 32 Cb 0.05 -3.54 -0.13 0.00 0.56 0.00 0.00 36.38 33.33 2qkw s VAL 32 CO 0.62 0.38 -0.33 -0.67 -0.31 0.00 0.00 175.10 174.79 2qkw n ASP 33 N 1.16 1.96 -4.44 4.85 4.64 -1.26 -4.90 116.55 118.55 2qkw n ASP 33 Ca -0.12 0.25 -0.44 0.00 -1.38 0.00 0.00 54.79 53.10 2qkw n ASP 33 Cb 0.53 -0.74 -0.07 0.00 -1.04 0.00 0.00 41.12 39.80 2qkw n ASP 33 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2qkw s LEU 34 N -7.32 5.10 -0.38 -2.67 1.43 -1.26 -4.85 118.68 108.73 2qkw s LEU 34 Ca -0.38 -0.96 0.08 0.00 -1.03 0.00 0.00 54.13 51.85 2qkw s LEU 34 Cb 0.14 -2.37 0.44 0.00 0.03 0.00 0.00 46.19 44.42 2qkw s LEU 34 CO 0.51 -0.76 1.10 -1.84 0.23 0.00 0.00 176.35 175.58 2qkw n GLU 35 N 5.81 2.99 -3.21 1.70 0.28 -1.26 -5.03 120.64 121.92 2qkw n GLU 35 Ca -0.08 -4.18 -0.46 0.00 -0.16 0.00 0.00 57.16 52.28 2qkw n GLU 35 Cb 0.45 -2.05 -0.03 0.00 1.43 0.00 0.00 31.44 31.25 2qkw n GLU 35 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2qkw s GLU 36 N -3.49 3.47 0.64 3.44 2.12 -1.26 -3.23 118.70 120.39 2qkw s GLU 36 Ca 0.44 -2.09 -0.13 0.00 0.36 0.00 0.00 54.97 53.55 2qkw s GLU 36 Cb 0.41 -4.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.28 2qkw s GLU 36 CO -0.10 -1.43 1.05 0.00 -0.54 0.00 0.00 175.26 174.24 2qkw s ALA 37 N 1.18 2.75 -0.02 6.30 0.00 -1.14 -4.94 121.76 125.89 2qkw s ALA 37 Ca 0.19 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.34 2qkw s ALA 37 Cb -0.13 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.83 2qkw s ALA 37 CO -0.06 -0.98 0.02 -0.08 0.00 0.00 0.00 175.76 174.66 2qkw s THR 38 N -2.82 -0.00 0.00 0.00 -1.32 -1.26 -4.42 115.64 105.83 2qkw s THR 38 Ca 0.60 0.16 0.00 0.00 -1.21 0.00 0.00 61.69 61.24 2qkw s THR 38 Cb -0.14 -0.11 0.00 0.00 -1.51 0.00 0.00 72.50 70.73 2qkw s THR 38 CO 0.47 0.09 0.00 0.59 -2.21 0.00 0.00 174.62 173.56 2qkw n ASN 39 N 4.03 0.00 0.00 8.08 3.02 -1.26 -5.01 115.26 124.12 2qkw n ASN 39 Ca -0.26 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 2qkw n ASN 39 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 2qkw n ASN 39 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2qkw n ASN 40 N 0.87 0.00 -0.89 6.41 5.15 -1.26 -5.10 115.26 120.44 2qkw n ASN 40 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2qkw n ASN 40 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2qkw n ASN 40 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 2qkw n PHE 41 N 0.00 -0.21 -3.65 1.20 1.16 -1.26 -5.14 117.46 109.57 2qkw n PHE 41 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.21 2qkw n PHE 41 Cb 0.00 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.81 2qkw n PHE 41 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 2qkw s ASP 42 N -0.07 6.63 0.01 5.98 -4.77 -1.26 -5.02 116.67 118.18 2qkw s ASP 42 Ca 0.00 0.75 -0.30 0.00 -3.30 0.00 0.00 52.55 49.70 2qkw s ASP 42 Cb 0.00 -2.17 -0.08 0.00 -1.09 0.00 0.00 42.92 39.59 2qkw s ASP 42 CO 0.00 0.30 1.78 -1.00 0.70 0.00 0.00 175.17 176.95 2qkw s HIS 43 N -1.17 1.81 -0.61 2.11 3.76 -1.26 -4.97 115.29 114.96 2qkw s HIS 43 Ca 0.24 -0.04 -0.25 0.00 -0.15 0.00 0.00 55.06 54.86 2qkw s HIS 43 Cb -0.14 -4.07 0.05 0.00 1.11 0.00 0.00 32.58 29.52 2qkw s HIS 43 CO 0.13 -4.57 1.02 0.21 -0.85 0.00 0.00 174.74 170.68 2qkw s LYS 44 N 3.85 3.28 -0.27 1.40 2.47 -1.26 -4.99 119.74 124.22 2qkw s LYS 44 Ca 0.80 -0.34 -0.28 0.00 -1.56 0.00 0.00 55.97 54.59 2qkw s LYS 44 Cb -0.39 -4.11 -0.05 0.00 -1.46 0.00 0.00 37.83 31.82 2qkw s LYS 44 CO 0.35 -1.68 2.27 1.19 0.16 0.00 0.00 175.35 177.63 2qkw n PHE 45 N 7.91 1.86 -3.85 4.03 3.01 -1.26 -4.61 117.46 124.55 2qkw n PHE 45 Ca 0.01 -0.08 -0.07 0.00 1.01 0.00 0.00 57.45 58.32 2qkw n PHE 45 Cb 0.47 -2.71 -0.02 0.00 -0.01 0.00 0.00 39.48 37.21 2qkw n PHE 45 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2qkw s LEU 46 N 9.14 -0.23 0.00 4.37 1.43 -1.26 -5.06 118.68 127.06 2qkw s LEU 46 Ca 1.00 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 2qkw s LEU 46 Cb -0.30 2.65 0.00 0.00 0.03 0.00 0.00 46.19 48.57 2qkw s LEU 46 CO 0.33 -1.31 0.00 2.30 0.23 0.00 0.00 176.35 177.90 2qkw n ILE 47 N -0.45 0.00 -0.61 -0.59 -5.35 -1.26 -4.35 119.36 106.75 2qkw n ILE 47 Ca -0.05 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.13 2qkw n ILE 47 Cb 0.60 0.00 0.20 0.00 -1.74 0.00 0.00 39.64 38.70 2qkw n ILE 47 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qkw n GLY 48 N 0.00 -1.34 2.97 3.28 0.00 -1.24 -4.84 105.19 104.02 2qkw n GLY 48 Ca 0.00 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 44.94 2qkw n GLY 48 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qkw s HIS 49 N -2.49 0.63 0.41 1.61 2.46 -1.26 -2.31 115.29 114.34 2qkw s HIS 49 Ca 0.66 -0.13 0.04 0.00 0.47 0.00 0.00 55.06 56.10 2qkw s HIS 49 Cb -0.23 -0.44 -0.05 0.00 -0.13 0.00 0.00 32.58 31.73 2qkw s HIS 49 CO 0.62 -0.04 0.04 0.20 -2.47 0.00 0.00 174.74 173.09 2qkw s GLY 50 N 0.04 2.52 0.04 1.59 0.00 -0.99 -4.98 107.32 105.55 2qkw s GLY 50 Ca -0.00 -1.68 -0.18 0.00 0.00 0.00 0.00 44.72 42.86 2qkw s GLY 50 CO -0.00 -2.01 1.19 -2.08 0.00 0.00 0.00 173.10 170.20 2qkw h VAL 51 N 1.77 1.37 -3.58 1.40 2.07 -2.02 -3.38 116.25 113.89 2qkw h VAL 51 Ca -0.42 -1.95 -0.71 0.00 0.82 0.00 0.00 66.70 64.44 2qkw h VAL 51 Cb 1.26 2.31 -0.34 0.00 -1.52 0.00 0.00 31.29 33.00 2qkw h VAL 51 CO 0.73 0.58 -0.31 -0.36 0.02 0.00 0.00 177.57 178.24 2qkw s PHE 52 N -3.51 3.44 0.00 1.57 0.40 -1.26 -4.85 117.98 113.77 2qkw s PHE 52 Ca -0.12 -2.64 0.00 0.00 -0.60 0.00 0.00 56.93 53.56 2qkw s PHE 52 Cb 0.05 -3.27 0.00 0.00 0.51 0.00 0.00 43.02 40.32 2qkw s PHE 52 CO 0.84 -0.85 0.00 0.41 0.70 0.00 0.00 175.22 176.32 2qkw n GLY 53 N 3.51 0.68 3.60 4.36 0.00 -1.05 -4.79 105.19 111.51 2qkw n GLY 53 Ca 0.09 -1.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 2qkw n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qkw s LYS 54 N -2.41 1.93 -0.07 1.61 1.02 0.40 -2.36 119.74 119.85 2qkw s LYS 54 Ca 0.00 -2.08 0.02 0.00 0.02 0.00 0.00 55.97 53.93 2qkw s LYS 54 Cb 0.00 -1.60 0.01 0.00 -0.52 0.00 0.00 37.83 35.72 2qkw s LYS 54 CO 0.00 -0.04 -0.12 0.08 -0.92 0.00 0.00 175.35 174.35 2qkw s VAL 55 N -2.73 1.18 0.11 3.17 1.01 -0.98 -0.94 120.40 121.23 2qkw s VAL 55 Ca 0.35 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.93 2qkw s VAL 55 Cb 0.09 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 2qkw s VAL 55 CO 0.18 0.37 -0.24 -0.31 0.00 0.00 0.00 175.10 175.10 2qkw s TYR 56 N 0.78 2.01 0.29 5.22 1.51 -0.80 -3.69 117.35 122.67 2qkw s TYR 56 Ca -0.12 -0.40 -0.17 0.00 -1.01 0.00 0.00 57.07 55.36 2qkw s TYR 56 Cb -0.15 -1.10 -0.09 0.00 -0.11 0.00 0.00 41.96 40.51 2qkw s TYR 56 CO 0.02 0.27 0.74 0.21 -1.11 0.00 0.00 175.55 175.68 2qkw s LYS 57 N -1.98 4.12 0.09 -0.62 2.20 -1.26 -1.12 119.74 121.17 2qkw s LYS 57 Ca 0.10 0.78 -0.25 0.00 -0.36 0.00 0.00 55.97 56.24 2qkw s LYS 57 Cb -0.10 -2.60 0.07 0.00 -1.51 0.00 0.00 37.83 33.69 2qkw s LYS 57 CO 0.05 0.24 0.61 0.20 -0.36 0.00 0.00 175.35 176.10 2qkw s GLY 58 N -2.02 -0.59 -0.10 5.54 0.00 -0.81 -4.78 107.32 104.56 2qkw s GLY 58 Ca 0.50 0.73 -0.02 0.00 0.00 0.00 0.00 44.72 45.93 2qkw s GLY 58 CO 0.19 0.39 -0.04 0.14 0.00 0.00 0.00 173.10 173.78 2qkw s VAL 59 N -2.91 3.96 0.51 1.40 1.01 -1.26 -0.26 120.40 122.85 2qkw s VAL 59 Ca -0.03 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2qkw s VAL 59 Cb -0.01 -2.67 0.03 0.00 0.00 0.00 0.00 36.38 33.73 2qkw s VAL 59 CO -0.05 0.57 0.72 -0.76 0.00 0.00 0.00 175.10 175.57 2qkw s LEU 60 N -0.44 3.39 0.50 3.92 1.43 -0.74 -4.95 118.68 121.79 2qkw s LEU 60 Ca 0.07 -0.11 0.30 0.00 -1.03 0.00 0.00 54.13 53.36 2qkw s LEU 60 Cb -0.12 -2.82 1.40 0.00 0.03 0.00 0.00 46.19 44.67 2qkw s LEU 60 CO 0.02 -1.03 1.81 0.03 0.23 0.00 0.00 176.35 177.42 2qkw h ARG 61 N 0.23 0.12 -0.57 1.70 3.08 -2.00 0.14 114.38 117.08 2qkw h ARG 61 Ca -0.42 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2qkw h ARG 61 Cb 1.29 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2qkw h ARG 61 CO 0.50 0.08 0.00 -0.40 -1.07 0.00 0.00 179.97 179.09 2qkw n ASP 62 N -4.34 3.14 0.00 7.04 5.75 -1.26 -4.93 116.55 121.96 2qkw n ASP 62 Ca 0.24 -2.18 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 2qkw n ASP 62 Cb 1.07 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 2qkw n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qkw n GLY 63 N 1.06 1.42 3.66 6.12 0.00 0.49 -5.00 105.19 112.94 2qkw n GLY 63 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2qkw n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qkw s ALA 64 N -3.55 3.64 0.17 4.61 0.00 -1.26 -4.70 121.76 120.66 2qkw s ALA 64 Ca 0.00 0.69 -0.31 0.00 0.00 0.00 0.00 51.96 52.33 2qkw s ALA 64 Cb 0.00 -3.67 -0.09 0.00 0.00 0.00 0.00 23.12 19.36 2qkw s ALA 64 CO 0.00 -1.24 1.50 0.15 0.00 0.00 0.00 175.76 176.17 2qkw s LYS 65 N 3.62 4.25 0.05 0.00 3.01 -1.26 -1.78 119.74 127.63 2qkw s LYS 65 Ca 0.63 2.27 -0.02 0.00 -1.01 0.00 0.00 55.97 57.84 2qkw s LYS 65 Cb -0.27 -3.17 -0.03 0.00 -1.01 0.00 0.00 37.83 33.34 2qkw s LYS 65 CO 0.22 -0.53 0.00 0.54 0.51 0.00 0.00 175.35 176.09 2qkw s VAL 66 N 0.93 0.20 -0.23 3.17 0.11 0.64 -3.18 120.40 122.05 2qkw s VAL 66 Ca 0.67 -1.68 0.01 0.00 -2.93 0.00 0.00 61.98 58.04 2qkw s VAL 66 Cb -0.42 -1.45 0.06 0.00 -1.53 0.00 0.00 36.38 33.04 2qkw s VAL 66 CO 0.33 -0.93 -0.07 0.00 -3.33 0.00 0.00 175.10 171.10 2qkw s ALA 67 N -3.82 2.05 -0.44 1.54 0.00 0.19 -1.93 121.76 119.34 2qkw s ALA 67 Ca 0.06 -1.37 -0.15 0.00 0.00 0.00 0.00 51.96 50.51 2qkw s ALA 67 Cb 0.07 -1.41 0.05 0.00 0.00 0.00 0.00 23.12 21.83 2qkw s ALA 67 CO -0.10 -1.09 0.34 -0.51 0.00 0.00 0.00 175.76 174.41 2qkw s LEU 68 N 1.36 5.37 -1.18 0.00 2.01 -0.28 -1.84 118.68 124.12 2qkw s LEU 68 Ca -0.05 -1.17 -0.16 0.00 0.01 0.00 0.00 54.13 52.76 2qkw s LEU 68 Cb -0.18 -2.15 0.14 0.00 0.01 0.00 0.00 46.19 44.00 2qkw s LEU 68 CO -0.07 -0.56 1.46 -0.75 1.01 0.00 0.00 176.35 177.44 2qkw s LYS 69 N 1.64 3.98 -0.31 1.70 2.20 -0.17 -1.91 119.74 126.87 2qkw s LYS 69 Ca 0.04 -2.29 -0.29 0.00 -0.36 0.00 0.00 55.97 53.07 2qkw s LYS 69 Cb -0.22 -5.16 -0.00 0.00 -1.51 0.00 0.00 37.83 30.94 2qkw s LYS 69 CO 0.07 -1.89 1.43 0.50 -0.36 0.00 0.00 175.35 175.10 2qkw s ARG 70 N 2.42 3.78 -0.35 4.03 6.06 -0.12 -2.67 118.95 132.11 2qkw s ARG 70 Ca 0.44 1.28 0.08 0.00 -2.50 0.00 0.00 55.73 55.03 2qkw s ARG 70 Cb -0.02 -3.97 0.62 0.00 0.06 0.00 0.00 34.95 31.65 2qkw s ARG 70 CO -0.00 -1.30 1.70 0.54 -2.50 0.00 0.00 175.30 173.74 2qkw n ARG 71 N 7.63 2.44 0.08 5.12 1.74 -0.82 -0.45 116.66 132.40 2qkw n ARG 71 Ca 0.16 -3.08 -0.10 0.00 -0.77 0.00 0.00 57.85 54.07 2qkw n ARG 71 Cb 0.47 -2.04 -0.07 0.00 -1.02 0.00 0.00 32.46 29.80 2qkw n ARG 71 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2qkw h THR 72 N 1.38 1.56 -2.57 0.55 2.02 -1.92 -3.42 112.91 110.51 2qkw h THR 72 Ca 0.37 -2.97 -0.54 0.00 0.77 0.00 0.00 66.41 64.05 2qkw h THR 72 Cb 2.24 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 71.36 2qkw h THR 72 CO 0.72 0.86 1.11 -2.84 0.37 0.00 0.00 175.52 175.74 2qkw s PRO 73 N -2.92 4.18 -0.34 6.66 0.02 -1.26 -4.25 135.00 137.09 2qkw s PRO 73 Ca -0.02 2.29 -0.05 0.00 0.02 0.00 0.00 61.00 63.24 2qkw s PRO 73 Cb 0.09 -3.98 0.01 0.00 0.02 0.00 0.00 34.50 30.64 2qkw s PRO 73 CO 0.84 -0.85 0.19 0.39 -0.33 0.00 0.00 177.00 177.24 2qkw n GLU 74 N 7.03 -3.08 -0.27 5.54 -0.58 -1.26 -2.51 120.64 125.51 2qkw n GLU 74 Ca 0.18 2.53 0.00 0.00 -0.42 0.00 0.00 57.16 59.45 2qkw n GLU 74 Cb 0.42 -5.33 0.00 0.00 -0.57 0.00 0.00 31.44 25.96 2qkw n GLU 74 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2qkw n SER 75 N 0.41 4.10 -4.55 1.62 3.41 -1.26 -4.65 113.62 112.70 2qkw n SER 75 Ca 0.04 -2.15 -0.36 0.00 -0.26 0.00 0.00 58.87 56.14 2qkw n SER 75 Cb 0.16 -0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 63.27 2qkw n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2qkw n SER 76 N 1.09 4.02 -4.10 4.04 7.64 -1.26 -3.87 113.62 121.19 2qkw n SER 76 Ca 0.00 -2.81 -0.32 0.00 1.01 0.00 0.00 58.87 56.74 2qkw n SER 76 Cb 0.47 -1.73 -0.02 0.00 -1.01 0.00 0.00 64.21 61.92 2qkw n SER 76 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2qkw n GLN 77 N 8.27 -3.64 0.19 1.43 -0.06 -1.26 -4.85 117.38 117.46 2qkw n GLN 77 Ca 0.47 0.42 0.08 0.00 -2.00 0.00 0.00 57.00 55.97 2qkw n GLN 77 Cb 0.46 -5.03 0.22 0.00 -4.06 0.00 0.00 30.24 21.83 2qkw n GLN 77 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 2qkw h GLY 78 N -1.69 0.00 0.17 1.69 0.00 -1.83 -3.27 103.07 98.13 2qkw h GLY 78 Ca -0.60 0.00 0.08 0.00 0.00 0.00 0.00 47.33 46.81 2qkw h GLY 78 CO 0.72 0.00 -0.13 -2.22 0.00 0.00 0.00 176.54 174.92 2qkw h ILE 79 N 0.00 0.55 -0.62 2.60 5.03 -1.89 -0.78 117.51 122.41 2qkw h ILE 79 Ca -0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.74 2qkw h ILE 79 Cb 1.07 0.55 -0.03 0.00 -3.03 0.00 0.00 36.82 35.38 2qkw h ILE 79 CO 0.04 0.00 0.38 -0.08 -0.68 0.00 0.00 178.15 177.81 2qkw h GLU 80 N -0.04 0.84 -0.01 2.37 4.81 -1.96 -1.94 114.58 118.65 2qkw h GLU 80 Ca 0.19 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.20 2qkw h GLU 80 Cb 0.33 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2qkw h GLU 80 CO -0.42 0.59 -0.67 0.93 -0.73 0.00 0.00 179.01 178.72 2qkw h GLU 81 N 0.84 0.07 -0.44 1.92 5.08 -1.62 -1.55 114.58 118.88 2qkw h GLU 81 Ca 0.22 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2qkw h GLU 81 Cb -0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2qkw h GLU 81 CO -0.04 0.71 0.10 0.35 -1.00 0.00 0.00 179.01 179.13 2qkw h PHE 82 N 0.05 0.75 -0.19 4.33 3.04 -0.81 -0.63 116.94 123.47 2qkw h PHE 82 Ca -0.01 -0.09 -0.17 0.00 3.98 0.00 0.00 57.97 61.68 2qkw h PHE 82 Cb 1.18 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 39.48 2qkw h PHE 82 CO 0.01 0.69 -0.57 0.93 -2.02 0.00 0.00 178.31 177.35 2qkw h GLU 83 N 0.58 0.60 -0.58 1.11 5.08 -1.29 -3.02 114.58 117.06 2qkw h GLU 83 Ca 0.14 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 2qkw h GLU 83 Cb 0.33 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2qkw h GLU 83 CO 0.00 1.00 0.21 1.15 -1.00 0.00 0.00 179.01 180.38 2qkw h THR 84 N 0.46 1.23 0.00 1.13 2.02 -1.17 -2.07 112.91 114.50 2qkw h THR 84 Ca 0.00 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2qkw h THR 84 Cb 1.13 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2qkw h THR 84 CO 0.11 0.28 0.00 1.21 0.37 0.00 0.00 175.52 177.49 2qkw n GLU 85 N -4.46 0.69 -0.10 6.66 2.13 -0.25 -1.99 120.64 123.32 2qkw n GLU 85 Ca 0.03 0.01 -0.17 0.00 0.66 0.00 0.00 57.16 57.69 2qkw n GLU 85 Cb 0.18 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.31 2qkw n GLU 85 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2qkw n ILE 86 N -1.04 1.49 -0.11 6.31 5.41 -0.81 -3.73 119.36 126.88 2qkw n ILE 86 Ca 0.17 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.79 2qkw n ILE 86 Cb 0.10 -2.15 -0.03 0.00 -0.71 0.00 0.00 39.64 36.84 2qkw n ILE 86 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 2qkw h GLU 87 N -1.00 0.84 -0.68 0.38 4.11 -1.45 -0.92 114.58 115.86 2qkw h GLU 87 Ca -0.27 -0.43 -0.04 0.00 0.07 0.00 0.00 59.36 58.70 2qkw h GLU 87 Cb 1.09 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 2qkw h GLU 87 CO -0.16 1.07 0.28 1.15 0.07 0.00 0.00 179.01 181.41 2qkw h THR 88 N 0.63 1.23 -0.30 -1.06 2.02 -1.65 -2.90 112.91 110.89 2qkw h THR 88 Ca 0.06 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.52 2qkw h THR 88 Cb 0.89 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2qkw h THR 88 CO 0.08 0.29 0.00 -0.11 0.37 0.00 0.00 175.52 176.15 2qkw n LEU 89 N -4.31 2.26 0.20 2.58 7.94 -1.06 -3.30 117.00 121.32 2qkw n LEU 89 Ca 0.06 -1.01 0.12 0.00 -1.11 0.00 0.00 56.01 54.07 2qkw n LEU 89 Cb 0.17 -0.19 0.23 0.00 0.53 0.00 0.00 43.42 44.16 2qkw n LEU 89 CO 0.39 0.51 0.83 0.28 -1.11 0.00 0.00 177.39 178.29 2qkw h SER 90 N 2.81 0.00 0.00 1.96 0.02 -0.95 -2.99 113.55 114.40 2qkw h SER 90 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 2qkw h SER 90 Cb 0.63 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.11 2qkw h SER 90 CO 0.00 0.00 0.10 0.49 -1.14 0.00 0.00 176.83 176.28 2qkw n PHE 91 N -2.97 0.19 -2.78 3.45 3.01 -1.21 -4.28 117.46 112.87 2qkw n PHE 91 Ca 0.04 -1.40 -0.43 0.00 1.01 0.00 0.00 57.45 56.67 2qkw n PHE 91 Cb 0.50 -1.49 -0.03 0.00 -0.01 0.00 0.00 39.48 38.45 2qkw n PHE 91 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qkw n ARG 93 N 7.45 0.20 -3.63 0.00 3.00 -1.26 -5.05 116.66 117.36 2qkw n ARG 93 Ca 0.27 -0.81 -0.12 0.00 -0.00 0.00 0.00 57.85 57.20 2qkw n ARG 93 Cb 0.50 -0.37 -0.07 0.00 0.00 0.00 0.00 32.46 32.52 2qkw n ARG 93 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2qkw s HIS 94 N 0.17 -0.74 -0.05 -0.14 2.46 -1.26 -5.04 115.29 110.69 2qkw s HIS 94 Ca 0.27 1.74 0.30 0.00 0.47 0.00 0.00 55.06 57.83 2qkw s HIS 94 Cb 0.21 0.34 1.39 0.00 -0.13 0.00 0.00 32.58 34.39 2qkw s HIS 94 CO -0.10 -0.36 1.89 -1.35 -2.47 0.00 0.00 174.74 172.36 2qkw h PRO 95 N 5.07 0.00 -0.14 2.88 0.11 -2.00 -2.99 132.00 134.93 2qkw h PRO 95 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2qkw h PRO 95 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2qkw h PRO 95 CO 0.08 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.59 2qkw n HIS 96 N -2.62 0.45 -4.50 0.65 8.25 -1.26 -4.72 115.22 111.46 2qkw n HIS 96 Ca -0.00 -0.88 -0.30 0.00 -0.26 0.00 0.00 57.72 56.28 2qkw n HIS 96 Cb 0.18 -0.21 -0.17 0.00 1.12 0.00 0.00 29.99 30.91 2qkw n HIS 96 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qkw s LEU 97 N -2.62 1.82 -0.07 2.41 1.02 -1.13 0.27 118.68 120.39 2qkw s LEU 97 Ca 0.34 -0.47 -0.37 0.00 0.02 0.00 0.00 54.13 53.64 2qkw s LEU 97 Cb 0.28 -1.18 -0.15 0.00 0.02 0.00 0.00 46.19 45.15 2qkw s LEU 97 CO 0.06 0.03 1.59 0.52 0.02 0.00 0.00 176.35 178.58 2qkw n VAL 98 N 4.18 0.19 -2.79 -1.59 0.31 -0.17 -4.71 118.33 113.76 2qkw n VAL 98 Ca -0.19 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.68 2qkw n VAL 98 Cb 0.51 -1.19 -0.03 0.00 -0.91 0.00 0.00 33.84 32.22 2qkw n VAL 98 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2qkw s SER 99 N 2.18 6.99 -0.03 4.52 0.15 -1.26 -4.97 113.70 121.28 2qkw s SER 99 Ca 0.90 1.23 -0.30 0.00 0.70 0.00 0.00 55.95 58.48 2qkw s SER 99 Cb -0.93 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 60.85 2qkw s SER 99 CO 0.54 -0.53 1.18 -0.22 1.20 0.00 0.00 173.24 175.41 2qkw s LEU 100 N 2.72 4.30 -0.17 3.45 0.20 -1.26 -3.74 118.68 124.18 2qkw s LEU 100 Ca 0.40 1.84 -0.22 0.00 0.69 0.00 0.00 54.13 56.84 2qkw s LEU 100 Cb -0.16 -3.56 -0.22 0.00 -0.43 0.00 0.00 46.19 41.82 2qkw s LEU 100 CO 0.09 -0.54 0.41 0.40 -0.29 0.00 0.00 176.35 176.43 2qkw h ILE 101 N 4.89 1.14 -2.55 6.68 2.04 0.15 -3.48 117.51 126.37 2qkw h ILE 101 Ca -0.36 -2.26 0.14 0.00 1.00 0.00 0.00 64.86 63.37 2qkw h ILE 101 Cb 1.18 2.60 -0.05 0.00 -0.74 0.00 0.00 36.82 39.80 2qkw h ILE 101 CO 0.86 0.47 0.46 -0.83 0.00 0.00 0.00 178.15 179.10 2qkw s GLY 102 N -4.74 -0.04 0.38 5.37 0.00 -1.09 -4.88 107.32 102.33 2qkw s GLY 102 Ca -0.25 -0.17 0.06 0.00 0.00 0.00 0.00 44.72 44.36 2qkw s GLY 102 CO 0.65 0.61 0.21 -0.11 0.00 0.00 0.00 173.10 174.47 2qkw s PHE 103 N -2.91 1.78 0.00 1.90 -0.71 -1.20 -0.25 117.98 116.59 2qkw s PHE 103 Ca 0.15 -1.50 0.00 0.00 -1.04 0.00 0.00 56.93 54.54 2qkw s PHE 103 Cb -0.03 -0.94 0.00 0.00 -1.21 0.00 0.00 43.02 40.84 2qkw s PHE 103 CO 0.05 -0.61 0.00 0.00 -1.34 0.00 0.00 175.22 173.32 2qkw n ASP 105 N -0.89 -2.12 -3.93 0.00 -0.08 -1.16 -4.94 116.55 103.44 2qkw n ASP 105 Ca 0.00 -1.09 -0.19 0.00 -1.51 0.00 0.00 54.79 52.00 2qkw n ASP 105 Cb 0.00 -2.75 -0.16 0.00 2.34 0.00 0.00 41.12 40.55 2qkw n ASP 105 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2qkw s GLU 106 N -6.63 0.78 -1.14 -0.67 2.12 -0.97 -4.86 118.70 107.33 2qkw s GLU 106 Ca 0.21 -0.16 -0.24 0.00 0.36 0.00 0.00 54.97 55.14 2qkw s GLU 106 Cb -0.09 -0.77 0.01 0.00 0.26 0.00 0.00 34.13 33.54 2qkw s GLU 106 CO 0.91 -0.00 0.76 0.54 -0.54 0.00 0.00 175.26 176.92 2qkw n ARG 107 N 3.69 -0.96 0.00 4.30 1.74 -1.26 -1.98 116.66 122.19 2qkw n ARG 107 Ca -0.22 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2qkw n ARG 107 Cb 0.53 -3.65 0.00 0.00 -1.02 0.00 0.00 32.46 28.32 2qkw n ARG 107 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2qkw n ASN 108 N -2.51 0.00 -4.83 0.55 3.02 -1.26 -4.98 115.26 105.25 2qkw n ASN 108 Ca -0.10 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.13 2qkw n ASN 108 Cb 0.58 -0.22 0.01 0.00 -0.61 0.00 0.00 39.78 39.55 2qkw n ASN 108 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2qkw s GLU 109 N 0.00 3.40 -0.29 3.52 0.41 -0.84 -4.98 118.70 119.92 2qkw s GLU 109 Ca 0.00 0.96 -0.01 0.00 -0.41 0.00 0.00 54.97 55.51 2qkw s GLU 109 Cb 0.00 -2.05 0.13 0.00 -1.78 0.00 0.00 34.13 30.43 2qkw s GLU 109 CO 0.00 -0.73 0.28 0.00 -0.49 0.00 0.00 175.26 174.32 2qkw s MET 110 N -4.67 0.31 -0.06 1.61 0.23 -1.26 -2.30 119.30 113.16 2qkw s MET 110 Ca 0.59 -0.15 0.05 0.00 -1.03 0.00 0.00 55.69 55.14 2qkw s MET 110 Cb -0.13 -0.70 -0.02 0.00 -1.53 0.00 0.00 34.83 32.45 2qkw s MET 110 CO 0.46 -1.02 -0.20 0.42 -2.03 0.00 0.00 175.02 172.65 2qkw s ILE 111 N 2.34 2.51 0.11 3.16 1.01 -1.26 -1.95 121.20 127.12 2qkw s ILE 111 Ca 0.09 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.88 2qkw s ILE 111 Cb -0.14 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 2qkw s ILE 111 CO -0.33 0.57 0.04 -0.76 0.00 0.00 0.00 174.94 174.46 2qkw s LEU 112 N -0.29 3.58 -0.07 2.97 1.43 -1.09 -1.38 118.68 123.83 2qkw s LEU 112 Ca 0.01 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2qkw s LEU 112 Cb -0.13 -2.27 0.02 0.00 0.03 0.00 0.00 46.19 43.84 2qkw s LEU 112 CO 0.03 0.15 -0.08 -0.63 0.23 0.00 0.00 176.35 176.04 2qkw s ILE 113 N -1.45 0.88 0.11 -0.59 1.01 0.65 -1.00 121.20 120.82 2qkw s ILE 113 Ca 0.28 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.66 2qkw s ILE 113 Cb -0.11 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 2qkw s ILE 113 CO 0.20 0.32 -0.07 -0.31 0.00 0.00 0.00 174.94 175.07 2qkw s TYR 114 N 1.09 1.00 0.34 3.97 1.51 -0.76 0.18 117.35 124.68 2qkw s TYR 114 Ca -0.07 -0.88 -0.29 0.00 -1.01 0.00 0.00 57.07 54.82 2qkw s TYR 114 Cb -0.14 -0.56 -0.12 0.00 -0.11 0.00 0.00 41.96 41.04 2qkw s TYR 114 CO -0.01 -0.09 1.44 1.63 -1.11 0.00 0.00 175.55 177.41 2qkw n LYS 115 N -0.09 2.48 -2.34 -0.62 4.01 -1.25 0.55 118.16 120.90 2qkw n LYS 115 Ca -0.11 0.87 -0.43 0.00 -0.51 0.00 0.00 58.31 58.13 2qkw n LYS 115 Cb 0.61 -2.56 -0.02 0.00 -0.51 0.00 0.00 35.03 32.54 2qkw n LYS 115 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 2qkw s TYR 116 N -0.87 2.66 -0.50 2.13 5.04 -1.19 -4.59 117.35 120.04 2qkw s TYR 116 Ca 0.56 0.83 -0.26 0.00 -2.44 0.00 0.00 57.07 55.77 2qkw s TYR 116 Cb -0.52 -3.60 0.03 0.00 0.35 0.00 0.00 41.96 38.23 2qkw s TYR 116 CO 0.60 -2.16 0.97 -1.64 -1.34 0.00 0.00 175.55 171.99 2qkw s MET 117 N 3.63 3.49 0.19 4.97 -1.94 -1.26 -4.89 119.30 123.48 2qkw s MET 117 Ca 0.59 0.08 -0.14 0.00 -1.71 0.00 0.00 55.69 54.51 2qkw s MET 117 Cb -0.24 -3.97 0.18 0.00 2.01 0.00 0.00 34.83 32.81 2qkw s MET 117 CO 0.18 -1.36 1.69 0.93 -0.01 0.00 0.00 175.02 176.45 2qkw h GLU 118 N 9.21 0.13 -0.21 2.03 4.39 -1.81 -2.66 114.58 125.65 2qkw h GLU 118 Ca -0.25 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2qkw h GLU 118 Cb 1.07 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2qkw h GLU 118 CO 1.07 0.08 0.00 0.09 -1.16 0.00 0.00 179.01 179.09 2qkw n ASN 119 N -5.21 1.68 0.00 1.42 3.02 -1.03 -4.99 115.26 110.15 2qkw n ASN 119 Ca 0.05 -1.78 0.00 0.00 -0.03 0.00 0.00 54.58 52.82 2qkw n ASN 119 Cb 0.26 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 2qkw n ASN 119 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qkw n GLY 120 N 1.10 1.60 3.80 7.41 0.00 -1.01 -4.81 105.19 113.29 2qkw n GLY 120 Ca 0.15 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 2qkw n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qkw s ASN 121 N -4.00 5.11 0.29 1.61 2.20 -1.26 -1.09 114.94 117.80 2qkw s ASN 121 Ca 0.00 -0.54 -0.02 0.00 -0.94 0.00 0.00 52.86 51.37 2qkw s ASN 121 Cb 0.00 -0.98 0.42 0.00 -2.00 0.00 0.00 41.25 38.69 2qkw s ASN 121 CO 0.00 -0.25 1.87 0.25 -2.94 0.00 0.00 177.10 176.03 2qkw h LEU 122 N 1.43 0.83 -0.76 3.54 5.85 -0.83 -2.53 115.31 122.85 2qkw h LEU 122 Ca -0.45 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.23 2qkw h LEU 122 Cb 1.25 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 2qkw h LEU 122 CO 0.60 0.74 0.44 0.50 -0.34 0.00 0.00 178.44 180.38 2qkw h LYS 123 N 0.90 0.76 -0.67 1.25 3.64 -1.79 -1.54 116.57 119.12 2qkw h LYS 123 Ca 0.22 -0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.71 2qkw h LYS 123 Cb 0.16 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 2qkw h LYS 123 CO -0.02 0.51 0.46 -0.09 -2.27 0.00 0.00 179.45 178.04 2qkw h ARG 124 N 0.79 0.23 -0.49 1.90 1.12 -1.77 -0.48 114.38 115.67 2qkw h ARG 124 Ca 0.35 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.20 2qkw h ARG 124 Cb 0.23 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.14 2qkw h ARG 124 CO -0.20 0.15 0.00 0.72 -3.11 0.00 0.00 179.97 177.53 2qkw n HIS 125 N -4.43 0.66 -3.44 2.20 8.25 -0.59 -4.20 115.22 113.67 2qkw n HIS 125 Ca 0.13 -0.33 -0.26 0.00 -0.26 0.00 0.00 57.72 56.99 2qkw n HIS 125 Cb 0.58 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.59 2qkw n HIS 125 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2qkw n LEU 126 N 0.97 0.73 -1.95 2.41 4.77 -0.19 -4.55 117.00 119.18 2qkw n LEU 126 Ca 0.17 -4.71 -0.18 0.00 -0.03 0.00 0.00 56.01 51.26 2qkw n LEU 126 Cb 0.43 0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.70 2qkw n LEU 126 CO 0.12 1.91 -0.22 0.00 -1.33 0.00 0.00 177.39 177.86 2qkw n TYR 127 N 2.15 -0.69 0.00 -1.77 9.36 -1.26 -4.16 117.16 120.78 2qkw n TYR 127 Ca 0.26 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.48 2qkw n TYR 127 Cb 0.46 -3.52 0.00 0.00 -0.63 0.00 0.00 39.34 35.65 2qkw n TYR 127 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2qkw n GLY 128 N -0.95 0.53 3.48 2.98 0.00 -1.24 -4.84 105.19 105.15 2qkw n GLY 128 Ca -0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 2qkw n GLY 128 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qkw s SER 129 N -1.35 -0.59 0.28 1.61 1.04 -1.26 -5.11 113.70 108.32 2qkw s SER 129 Ca 0.00 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.34 2qkw s SER 129 Cb 0.00 0.88 0.00 0.00 0.10 0.00 0.00 66.02 67.00 2qkw s SER 129 CO 0.00 -0.38 0.00 0.47 0.98 0.00 0.00 173.24 174.31 2qkw n ASP 130 N 1.91 -6.50 -2.11 7.02 9.92 -1.26 -5.01 116.55 120.52 2qkw n ASP 130 Ca -0.17 0.53 0.00 0.00 -0.53 0.00 0.00 54.79 54.62 2qkw n ASP 130 Cb 0.56 -3.36 0.00 0.00 -0.64 0.00 0.00 41.12 37.68 2qkw n ASP 130 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2qkw n LEU 131 N -3.56 -5.85 0.00 0.64 4.77 -1.26 -5.05 117.00 106.69 2qkw n LEU 131 Ca -0.00 2.39 0.00 0.00 -0.03 0.00 0.00 56.01 58.37 2qkw n LEU 131 Cb 0.50 -2.87 0.00 0.00 -2.33 0.00 0.00 43.42 38.72 2qkw n LEU 131 CO 0.01 -2.39 0.00 -0.81 -1.33 0.00 0.00 177.39 172.87 2qkw n PRO 132 N 1.53 2.71 -1.62 3.23 -0.04 -1.26 -4.68 135.00 134.87 2qkw n PRO 132 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2qkw n PRO 132 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 2qkw n PRO 132 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2qkw n THR 133 N 0.00 -0.13 -4.99 0.52 -1.04 -1.26 -4.81 114.28 102.56 2qkw n THR 133 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2qkw n THR 133 Cb 0.00 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 66.97 2qkw n THR 133 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 2qkw n MET 134 N -2.15 0.00 -1.88 -2.82 1.56 -1.26 -4.93 117.12 105.64 2qkw n MET 134 Ca -0.15 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 56.98 2qkw n MET 134 Cb 0.51 0.00 0.13 0.00 2.15 0.00 0.00 33.22 36.02 2qkw n MET 134 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 2qkw s SER 135 N -4.00 3.84 0.65 6.12 1.04 -1.26 -5.06 113.70 115.03 2qkw s SER 135 Ca 0.00 0.58 -0.14 0.00 0.48 0.00 0.00 55.95 56.88 2qkw s SER 135 Cb 0.00 -0.90 -0.01 0.00 0.10 0.00 0.00 66.02 65.21 2qkw s SER 135 CO 0.00 -2.31 1.07 -0.32 0.98 0.00 0.00 173.24 172.66 2qkw s MET 136 N -5.69 3.05 0.57 4.02 1.75 -1.26 -5.07 119.30 116.68 2qkw s MET 136 Ca 0.67 1.14 -0.04 0.00 -1.25 0.00 0.00 55.69 56.21 2qkw s MET 136 Cb -0.08 -2.00 0.02 0.00 2.84 0.00 0.00 34.83 35.60 2qkw s MET 136 CO 0.51 -1.02 0.85 -1.54 -0.65 0.00 0.00 175.02 173.17 2qkw s SER 137 N -3.15 5.50 0.13 1.11 1.04 -1.26 -4.94 113.70 112.13 2qkw s SER 137 Ca 0.62 0.51 -0.14 0.00 0.48 0.00 0.00 55.95 57.42 2qkw s SER 137 Cb -0.16 -1.49 -0.02 0.00 0.10 0.00 0.00 66.02 64.45 2qkw s SER 137 CO 0.45 -1.07 1.55 -0.25 0.98 0.00 0.00 173.24 174.90 2qkw h TRP 138 N -0.08 0.87 0.60 5.02 2.91 -1.96 -0.23 115.95 123.07 2qkw h TRP 138 Ca -0.45 -0.18 -0.02 0.00 1.13 0.00 0.00 58.89 59.37 2qkw h TRP 138 Cb 1.27 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 29.69 2qkw h TRP 138 CO 0.44 0.88 -0.46 0.93 -1.03 0.00 0.00 178.44 179.20 2qkw h GLU 139 N 0.61 -0.99 -0.81 2.65 3.07 -1.95 -0.71 114.58 116.45 2qkw h GLU 139 Ca 0.11 0.07 0.20 0.00 -0.50 0.00 0.00 59.36 59.24 2qkw h GLU 139 Cb 0.58 0.22 -0.13 0.00 -0.84 0.00 0.00 28.75 28.59 2qkw h GLU 139 CO 0.03 -0.66 0.17 0.37 -1.40 0.00 0.00 179.01 177.53 2qkw h GLN 140 N -1.03 0.21 -0.80 2.33 5.75 -1.95 0.29 115.11 119.92 2qkw h GLN 140 Ca -0.08 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.43 2qkw h GLN 140 Cb 0.85 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.31 2qkw h GLN 140 CO 0.02 0.14 0.52 0.00 -2.65 0.00 0.00 178.83 176.85 2qkw h ARG 141 N 0.21 1.00 -0.20 1.69 3.08 -0.76 -1.58 114.38 117.83 2qkw h ARG 141 Ca 0.48 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 60.30 2qkw h ARG 141 Cb 0.90 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2qkw h ARG 141 CO -0.61 0.66 -0.53 -0.07 -1.07 0.00 0.00 179.97 178.36 2qkw h LEU 142 N 1.03 0.80 -1.04 3.04 3.38 0.83 -1.87 115.31 121.49 2qkw h LEU 142 Ca 0.31 -0.58 0.13 0.00 0.09 0.00 0.00 57.88 57.83 2qkw h LEU 142 Cb -0.05 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.38 2qkw h LEU 142 CO -0.09 1.24 0.63 -0.33 0.09 0.00 0.00 178.44 179.97 2qkw h GLU 143 N 0.41 0.92 0.16 1.13 4.39 -0.38 0.68 114.58 121.88 2qkw h GLU 143 Ca -0.01 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2qkw h GLU 143 Cb 1.15 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2qkw h GLU 143 CO 0.11 0.61 -0.08 0.82 -1.16 0.00 0.00 179.01 179.31 2qkw h ILE 144 N 0.94 0.98 -0.91 3.13 2.04 -1.16 -2.03 117.51 120.51 2qkw h ILE 144 Ca 0.50 -0.74 0.12 0.00 1.00 0.00 0.00 64.86 65.75 2qkw h ILE 144 Cb 0.55 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.98 2qkw h ILE 144 CO -0.27 0.17 0.58 0.00 0.00 0.00 0.00 178.15 178.63 2qkw h ILE 146 N 0.82 1.30 -0.58 0.00 2.04 -0.89 -1.41 117.51 118.78 2qkw h ILE 146 Ca 0.44 -0.99 0.05 0.00 1.00 0.00 0.00 64.86 65.37 2qkw h ILE 146 Cb 0.56 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 2qkw h ILE 146 CO -0.21 0.28 0.31 1.23 0.00 0.00 0.00 178.15 179.76 2qkw h GLY 147 N -0.11 0.83 1.10 5.37 0.00 -0.58 -0.35 103.07 109.34 2qkw h GLY 147 Ca 0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 2qkw h GLY 147 CO 0.01 0.13 0.32 0.00 0.00 0.00 0.00 176.54 177.00 2qkw h ALA 148 N 1.31 1.11 -0.48 3.60 0.00 -0.95 -2.46 119.26 121.38 2qkw h ALA 148 Ca 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2qkw h ALA 148 Cb 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2qkw h ALA 148 CO -0.17 0.64 0.24 0.00 0.00 0.00 0.00 179.25 179.96 2qkw h ALA 149 N 1.23 0.62 -0.94 0.00 0.00 -0.58 -2.09 119.26 117.49 2qkw h ALA 149 Ca 0.26 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2qkw h ALA 149 Cb 0.19 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2qkw h ALA 149 CO -0.02 0.18 0.61 -0.09 0.00 0.00 0.00 179.25 179.92 2qkw h ARG 150 N 0.64 1.11 0.33 0.00 9.65 -0.73 0.34 114.38 125.72 2qkw h ARG 150 Ca 0.17 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.96 2qkw h ARG 150 Cb 0.11 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 28.44 2qkw h ARG 150 CO -0.02 0.73 -0.16 0.78 2.80 0.00 0.00 179.97 184.10 2qkw h GLY 151 N 1.14 -0.47 0.76 2.80 0.00 -1.25 -2.48 103.07 103.56 2qkw h GLY 151 Ca 0.39 0.17 0.08 0.00 0.00 0.00 0.00 47.33 47.97 2qkw h GLY 151 CO -0.15 -0.17 0.61 1.41 0.00 0.00 0.00 176.54 178.24 2qkw h LEU 152 N -0.75 0.94 -0.66 3.11 3.38 -1.06 -1.99 115.31 118.28 2qkw h LEU 152 Ca -0.05 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2qkw h LEU 152 Cb 0.50 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2qkw h LEU 152 CO 0.08 0.58 0.29 -0.74 0.09 0.00 0.00 178.44 178.74 2qkw h HIS 153 N 1.05 0.98 -0.29 1.13 2.76 -0.30 -2.32 115.15 118.17 2qkw h HIS 153 Ca 0.42 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.53 2qkw h HIS 153 Cb 0.25 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 2qkw h HIS 153 CO -0.00 0.75 0.18 -0.92 -1.30 0.00 0.00 177.93 176.64 2qkw h TYR 154 N 0.92 0.39 -0.91 5.26 3.20 -0.96 -1.13 116.97 123.74 2qkw h TYR 154 Ca 0.22 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.29 2qkw h TYR 154 Cb 0.16 -0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.23 2qkw h TYR 154 CO 0.01 0.28 0.60 -0.07 -1.64 0.00 0.00 178.16 177.34 2qkw h LEU 155 N 0.38 0.46 -0.24 2.82 4.07 -1.17 0.04 115.31 121.65 2qkw h LEU 155 Ca 0.11 0.05 -0.17 0.00 0.08 0.00 0.00 57.88 57.94 2qkw h LEU 155 Cb 0.01 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 2qkw h LEU 155 CO -0.02 0.18 -0.81 0.45 -1.08 0.00 0.00 178.44 177.16 2qkw h HIS 156 N 0.46 0.00 -0.17 1.13 3.86 -0.73 0.40 115.15 120.10 2qkw h HIS 156 Ca 0.48 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.67 2qkw h HIS 156 Cb 1.12 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.58 2qkw h HIS 156 CO -0.00 0.81 -0.01 1.15 0.86 0.00 0.00 177.93 180.74 2qkw h THR 157 N 0.00 1.12 -0.60 2.45 2.02 0.14 -2.17 112.91 115.87 2qkw h THR 157 Ca -0.01 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2qkw h THR 157 Cb 1.51 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 2qkw h THR 157 CO 0.11 0.15 0.00 0.54 0.37 0.00 0.00 175.52 176.69 2qkw n ARG 158 N -4.39 4.30 -1.38 6.66 1.74 -0.54 -4.81 116.66 118.24 2qkw n ARG 158 Ca -0.00 -3.03 -0.14 0.00 -0.77 0.00 0.00 57.85 53.90 2qkw n ARG 158 Cb 0.18 -2.08 -0.06 0.00 -1.02 0.00 0.00 32.46 29.48 2qkw n ARG 158 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qkw n ALA 159 N 0.81 -0.21 -2.64 7.54 0.00 -0.81 -4.77 120.51 120.42 2qkw n ALA 159 Ca 0.27 0.23 -0.40 0.00 0.00 0.00 0.00 53.44 53.54 2qkw n ALA 159 Cb 1.05 -1.64 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 2qkw n ALA 159 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qkw s ILE 160 N -2.16 5.07 -0.25 0.00 1.01 0.14 -0.57 121.20 124.44 2qkw s ILE 160 Ca 0.00 0.95 -0.09 0.00 0.00 0.00 0.00 60.65 61.50 2qkw s ILE 160 Cb 0.00 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 2qkw s ILE 160 CO 0.00 0.12 0.13 -0.63 0.00 0.00 0.00 174.94 174.56 2qkw s ILE 161 N 2.03 4.97 0.03 2.92 1.01 0.16 -3.64 121.20 128.67 2qkw s ILE 161 Ca 0.23 0.05 -0.25 0.00 0.00 0.00 0.00 60.65 60.68 2qkw s ILE 161 Cb -0.16 -3.33 -0.18 0.00 0.01 0.00 0.00 42.46 38.81 2qkw s ILE 161 CO 0.09 0.33 1.47 -0.74 0.00 0.00 0.00 174.94 176.09 2qkw h HIS 162 N 7.90 -0.03 0.00 3.97 -0.00 -1.93 0.23 115.15 125.30 2qkw h HIS 162 Ca -0.37 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 2qkw h HIS 162 Cb 1.18 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 2qkw h HIS 162 CO 0.69 0.24 0.00 0.54 -0.00 0.00 0.00 177.93 179.40 2qkw n ARG 163 N -4.97 0.00 -2.61 5.26 1.74 -1.26 -2.74 116.66 112.07 2qkw n ARG 163 Ca -0.08 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.87 2qkw n ARG 163 Cb 0.16 -1.53 0.03 0.00 -1.02 0.00 0.00 32.46 30.10 2qkw n ARG 163 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2qkw n ASP 164 N 0.00 2.40 -4.70 0.55 2.03 -1.26 -4.41 116.55 111.16 2qkw n ASP 164 Ca 0.00 -2.90 -0.42 0.00 0.52 0.00 0.00 54.79 51.98 2qkw n ASP 164 Cb 0.00 -0.50 -0.03 0.00 -0.72 0.00 0.00 41.12 39.88 2qkw n ASP 164 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2qkw s VAL 165 N -3.85 4.40 0.08 5.18 1.01 -1.26 -4.83 120.40 121.13 2qkw s VAL 165 Ca 0.33 1.72 -0.27 0.00 0.00 0.00 0.00 61.98 63.76 2qkw s VAL 165 Cb 0.42 -4.10 0.08 0.00 0.00 0.00 0.00 36.38 32.79 2qkw s VAL 165 CO -0.02 0.06 1.02 -1.59 0.00 0.00 0.00 175.10 174.57 2qkw s LYS 166 N 1.63 0.93 0.40 2.72 -2.85 -1.26 -4.72 119.74 116.58 2qkw s LYS 166 Ca 0.55 -0.49 0.12 0.00 -1.00 0.00 0.00 55.97 55.15 2qkw s LYS 166 Cb -0.24 0.34 0.81 0.00 -2.06 0.00 0.00 37.83 36.68 2qkw s LYS 166 CO 0.25 -0.42 1.89 0.66 0.10 0.00 0.00 175.35 177.82 2qkw h SER 167 N 2.00 0.05 -0.17 0.03 4.64 -1.95 -1.21 113.55 116.95 2qkw h SER 167 Ca -0.24 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 60.98 2qkw h SER 167 Cb 1.22 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 2qkw h SER 167 CO 0.27 0.32 -0.16 0.40 -0.87 0.00 0.00 176.83 176.79 2qkw h ILE 168 N 0.05 1.25 -0.40 0.95 2.04 -1.95 -2.86 117.51 116.59 2qkw h ILE 168 Ca 0.01 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.72 2qkw h ILE 168 Cb 0.50 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2qkw h ILE 168 CO 0.04 0.38 0.00 0.59 0.00 0.00 0.00 178.15 179.15 2qkw n ASN 169 N -4.16 2.91 -4.07 1.72 3.02 -0.47 -4.66 115.26 109.54 2qkw n ASN 169 Ca 0.00 -2.22 -0.33 0.00 -0.03 0.00 0.00 54.58 52.01 2qkw n ASN 169 Cb 0.36 -0.42 -0.14 0.00 -0.61 0.00 0.00 39.78 38.97 2qkw n ASN 169 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qkw s ILE 170 N -1.67 2.45 0.14 2.41 1.01 -1.14 -2.00 121.20 122.41 2qkw s ILE 170 Ca 0.30 -1.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.03 2qkw s ILE 170 Cb 0.19 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 2qkw s ILE 170 CO 0.16 -0.30 0.35 -0.76 0.00 0.00 0.00 174.94 174.39 2qkw s LEU 171 N 1.06 4.27 -0.01 2.97 1.02 0.19 -0.91 118.68 127.28 2qkw s LEU 171 Ca 0.00 0.52 0.01 0.00 0.02 0.00 0.00 54.13 54.68 2qkw s LEU 171 Cb -0.20 -3.24 0.00 0.00 0.02 0.00 0.00 46.19 42.77 2qkw s LEU 171 CO -0.05 0.05 -0.03 -1.48 0.02 0.00 0.00 176.35 174.87 2qkw s LEU 172 N -2.73 1.84 0.00 1.79 0.05 -0.25 0.14 118.68 119.52 2qkw s LEU 172 Ca 0.40 -0.05 0.00 0.00 0.05 0.00 0.00 54.13 54.53 2qkw s LEU 172 Cb -0.12 -0.18 0.00 0.00 -2.05 0.00 0.00 46.19 43.84 2qkw s LEU 172 CO 0.26 0.01 0.00 -0.90 -0.55 0.00 0.00 176.35 175.17 2qkw n ASP 173 N 3.23 0.00 0.12 1.48 5.68 -1.08 -2.47 116.55 123.52 2qkw n ASP 173 Ca -0.15 -0.20 0.09 0.00 -0.50 0.00 0.00 54.79 54.02 2qkw n ASP 173 Cb 0.57 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.12 2qkw n ASP 173 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2qkw h GLU 174 N 0.00 0.19 -0.60 0.11 5.08 -1.92 -1.27 114.58 116.16 2qkw h GLU 174 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2qkw h GLU 174 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2qkw h GLU 174 CO 0.00 0.12 0.00 0.09 -1.00 0.00 0.00 179.01 178.22 2qkw n ASN 175 N -4.50 4.09 -1.72 1.42 3.02 -1.26 -4.95 115.26 111.36 2qkw n ASN 175 Ca 0.02 -2.24 -0.17 0.00 -0.03 0.00 0.00 54.58 52.15 2qkw n ASN 175 Cb 0.18 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 2qkw n ASN 175 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2qkw n PHE 176 N 1.09 -0.51 -2.38 3.10 3.01 -0.48 -4.97 117.46 116.32 2qkw n PHE 176 Ca 0.22 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.26 2qkw n PHE 176 Cb 0.71 -3.26 -0.02 0.00 -0.01 0.00 0.00 39.48 36.89 2qkw n PHE 176 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2qkw s VAL 177 N -2.78 4.18 0.42 -4.37 1.01 -1.26 -4.72 120.40 112.89 2qkw s VAL 177 Ca 0.00 1.41 -0.24 0.00 0.00 0.00 0.00 61.98 63.15 2qkw s VAL 177 Cb 0.00 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 2qkw s VAL 177 CO 0.00 -0.20 1.19 -2.16 0.00 0.00 0.00 175.10 173.93 2qkw s PRO 178 N 3.70 3.93 -0.03 2.72 0.04 -1.26 -2.64 135.00 141.46 2qkw s PRO 178 Ca 0.57 1.86 -0.01 0.00 0.04 0.00 0.00 61.00 63.46 2qkw s PRO 178 Cb -0.22 -2.59 0.03 0.00 0.04 0.00 0.00 34.50 31.77 2qkw s PRO 178 CO 0.18 -0.43 0.06 0.15 0.04 0.00 0.00 177.00 176.99 2qkw s LYS 179 N -2.43 -0.04 -0.13 4.56 -0.14 0.37 -4.25 119.74 117.67 2qkw s LYS 179 Ca 0.59 0.28 -0.27 0.00 -1.36 0.00 0.00 55.97 55.21 2qkw s LYS 179 Cb -0.31 -0.32 -0.01 0.00 -1.68 0.00 0.00 37.83 35.50 2qkw s LYS 179 CO 0.38 -0.23 0.92 0.42 -0.76 0.00 0.00 175.35 176.09 2qkw s ILE 180 N 1.48 4.84 0.41 2.17 -1.09 0.14 -0.64 121.20 128.51 2qkw s ILE 180 Ca -0.04 1.84 0.07 0.00 -2.23 0.00 0.00 60.65 60.29 2qkw s ILE 180 Cb -0.13 -4.23 -0.05 0.00 -1.58 0.00 0.00 42.46 36.47 2qkw s ILE 180 CO -0.03 0.02 0.16 0.28 -1.23 0.00 0.00 174.94 174.14 2qkw s THR 181 N 2.02 2.29 -0.04 2.92 -1.32 -0.84 -1.00 115.64 119.66 2qkw s THR 181 Ca 0.43 -1.72 -0.04 0.00 -1.21 0.00 0.00 61.69 59.15 2qkw s THR 181 Cb -0.17 -3.00 0.01 0.00 -1.51 0.00 0.00 72.50 67.83 2qkw s THR 181 CO 0.15 -0.01 0.07 -0.67 -2.21 0.00 0.00 174.62 171.96 2qkw n ASP 182 N -1.21 -5.12 -0.17 8.08 -0.08 -1.26 -4.87 116.55 111.91 2qkw n ASP 182 Ca -0.01 1.27 0.04 0.00 -1.51 0.00 0.00 54.79 54.57 2qkw n ASP 182 Cb 0.65 -4.21 0.05 0.00 2.34 0.00 0.00 41.12 39.95 2qkw n ASP 182 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2qkw n PHE 183 N 1.35 0.00 0.20 -0.67 3.01 -1.26 -4.78 117.46 115.31 2qkw n PHE 183 Ca -0.12 -0.46 0.04 0.00 1.01 0.00 0.00 57.45 57.92 2qkw n PHE 183 Cb 0.19 -0.08 0.20 0.00 -0.01 0.00 0.00 39.48 39.78 2qkw n PHE 183 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qkw n GLY 184 N -0.62 -0.75 0.00 1.37 0.00 -1.26 -2.41 105.19 101.52 2qkw n GLY 184 Ca 0.06 0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.10 2qkw n GLY 184 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qkw n ILE 185 N -1.64 0.00 -1.89 -0.61 2.08 -1.26 -4.49 119.36 111.55 2qkw n ILE 185 Ca 0.01 -0.32 -0.37 0.00 0.56 0.00 0.00 62.75 62.63 2qkw n ILE 185 Cb 0.07 0.82 0.04 0.00 -0.75 0.00 0.00 39.64 39.82 2qkw n ILE 185 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2qkw s SER 186 N -1.56 5.17 -0.02 4.38 1.04 -1.01 -4.76 113.70 116.95 2qkw s SER 186 Ca 0.00 2.58 0.06 0.00 0.48 0.00 0.00 55.95 59.07 2qkw s SER 186 Cb 0.02 -2.62 -0.01 0.00 0.10 0.00 0.00 66.02 63.50 2qkw s SER 186 CO 0.09 -1.62 -0.18 -0.75 0.98 0.00 0.00 173.24 171.76 2qkw s LYS 187 N -3.12 1.53 -0.17 4.02 2.20 0.81 -4.93 119.74 120.09 2qkw s LYS 187 Ca 0.75 -0.66 -0.08 0.00 -0.36 0.00 0.00 55.97 55.62 2qkw s LYS 187 Cb -0.36 -1.47 -0.05 0.00 -1.51 0.00 0.00 37.83 34.45 2qkw s LYS 187 CO 0.40 0.39 0.12 0.21 -0.36 0.00 0.00 175.35 176.11 2qkw s LYS 188 N -0.39 3.87 0.52 4.03 2.20 -1.26 0.38 119.74 129.09 2qkw s LYS 188 Ca 0.06 -0.21 0.07 0.00 -0.36 0.00 0.00 55.97 55.54 2qkw s LYS 188 Cb -0.08 -3.30 0.05 0.00 -1.51 0.00 0.00 37.83 33.00 2qkw s LYS 188 CO -0.00 0.47 0.72 0.20 -0.36 0.00 0.00 175.35 176.38 2qkw s GLY 189 N -0.16 1.83 -0.23 5.54 0.00 0.26 -5.00 107.32 109.57 2qkw s GLY 189 Ca 0.10 -1.84 -0.08 0.00 0.00 0.00 0.00 44.72 42.90 2qkw s GLY 189 CO 0.00 -1.50 -0.27 2.41 0.00 0.00 0.00 173.10 173.74 2qkw n THR 190 N -2.15 1.27 0.36 0.90 -1.04 -1.26 -4.61 114.28 107.76 2qkw n THR 190 Ca 0.12 -0.37 0.14 0.00 -2.04 0.00 0.00 64.05 61.90 2qkw n THR 190 Cb 0.60 -1.66 0.50 0.00 -1.82 0.00 0.00 70.33 67.96 2qkw n THR 190 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2qkw h GLU 191 N -0.59 0.00 -4.12 -2.82 4.57 -1.98 -3.48 114.58 106.16 2qkw h GLU 191 Ca -0.56 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.62 2qkw h GLU 191 Cb 1.59 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.18 2qkw h GLU 191 CO -0.28 0.00 -0.40 1.28 -1.18 0.00 0.00 179.01 178.43 2qkw n LEU 192 N -2.68 -5.06 0.00 1.64 4.77 -1.26 -4.54 117.00 109.87 2qkw n LEU 192 Ca 0.02 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 2qkw n LEU 192 Cb 0.33 -2.21 0.00 0.00 -2.33 0.00 0.00 43.42 39.21 2qkw n LEU 192 CO 0.26 -1.46 0.00 0.47 -1.33 0.00 0.00 177.39 175.33 2qkw n ASP 193 N 0.04 0.00 -0.03 -1.43 8.00 -1.26 -4.84 116.55 117.03 2qkw n ASP 193 Ca 0.03 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.66 2qkw n ASP 193 Cb 0.10 0.00 0.76 0.00 -0.02 0.00 0.00 41.12 41.96 2qkw n ASP 193 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qkw n GLN 194 N 0.00 1.04 -1.84 -1.24 6.02 -1.26 -4.89 117.38 115.20 2qkw n GLN 194 Ca 0.00 -0.06 -0.43 0.00 -0.01 0.00 0.00 57.00 56.51 2qkw n GLN 194 Cb 0.00 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 2qkw n GLN 194 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2qkw s THR 195 N -2.00 3.31 -0.78 5.09 -4.23 -1.26 -4.93 115.64 110.85 2qkw s THR 195 Ca 0.39 0.35 0.03 0.00 -1.18 0.00 0.00 61.69 61.28 2qkw s THR 195 Cb 0.18 -3.30 0.28 0.00 1.34 0.00 0.00 72.50 71.00 2qkw s THR 195 CO 0.30 -0.12 1.05 0.00 -0.54 0.00 0.00 174.62 175.31 2qkw n HIS 196 N 8.97 3.27 0.00 3.99 1.44 -1.26 -4.07 115.22 127.56 2qkw n HIS 196 Ca 0.22 -3.60 0.00 0.00 -2.01 0.00 0.00 57.72 52.33 2qkw n HIS 196 Cb 0.44 -0.78 0.00 0.00 0.12 0.00 0.00 29.99 29.77 2qkw n HIS 196 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 2qkw n LEU 197 N 0.75 0.00 -2.30 2.39 -0.00 -0.07 -4.76 117.00 113.01 2qkw n LEU 197 Ca 0.30 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 56.09 2qkw n LEU 197 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 2qkw n LEU 197 CO 0.49 0.00 -0.27 0.52 -0.00 0.00 0.00 177.39 178.13 2qkw n VAL 200 N 0.00 0.23 -2.67 1.47 0.31 -1.26 0.34 118.33 116.75 2qkw n VAL 200 Ca 0.00 -0.27 -0.43 0.00 -0.01 0.00 0.00 64.34 63.63 2qkw n VAL 200 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 2qkw n VAL 200 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2qkw s VAL 201 N -0.96 4.71 0.05 2.52 1.01 -1.26 -5.05 120.40 121.41 2qkw s VAL 201 Ca 0.31 2.03 0.04 0.00 0.00 0.00 0.00 61.98 64.36 2qkw s VAL 201 Cb -0.32 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.73 2qkw s VAL 201 CO 0.34 -0.11 -0.11 -0.54 0.00 0.00 0.00 175.10 174.68 2qkw s LYS 202 N 2.78 0.73 0.00 2.72 1.02 -1.26 -5.14 119.74 120.59 2qkw s LYS 202 Ca 0.46 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.68 2qkw s LYS 202 Cb -0.16 -0.66 0.00 0.00 -0.52 0.00 0.00 37.83 36.49 2qkw s LYS 202 CO 0.10 0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.09 2qkw n GLY 203 N 1.68 0.03 3.49 -3.33 0.00 -1.26 -4.88 105.19 100.91 2qkw n GLY 203 Ca -0.20 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 2qkw n GLY 203 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qkw s THR 204 N -2.92 3.21 0.29 2.61 2.01 -1.26 -5.01 115.64 114.56 2qkw s THR 204 Ca 0.00 -0.66 -0.05 0.00 0.31 0.00 0.00 61.69 61.29 2qkw s THR 204 Cb 0.00 -2.28 0.45 0.00 0.01 0.00 0.00 72.50 70.67 2qkw s THR 204 CO 0.00 0.58 1.56 0.25 -0.69 0.00 0.00 174.62 176.33 2qkw h LEU 205 N 5.51 -0.80 -0.74 4.42 5.85 -1.99 0.19 115.31 127.76 2qkw h LEU 205 Ca -0.44 0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2qkw h LEU 205 Cb 1.16 0.58 -0.00 0.00 0.37 0.00 0.00 40.66 42.77 2qkw h LEU 205 CO 0.52 -0.34 -0.08 1.23 -0.34 0.00 0.00 178.44 179.42 2qkw h GLY 206 N 0.00 0.00 -0.01 3.75 0.00 -1.98 -3.34 103.07 101.49 2qkw h GLY 206 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2qkw h GLY 206 CO -1.00 0.00 -0.62 -1.72 0.00 0.00 0.00 176.54 173.20 2qkw n TYR 207 N -3.16 0.00 -1.68 5.60 4.02 0.64 -4.88 117.16 117.70 2qkw n TYR 207 Ca 0.02 0.00 -0.46 0.00 -0.01 0.00 0.00 57.90 57.45 2qkw n TYR 207 Cb 0.45 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.73 2qkw n TYR 207 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 2qkw n ILE 208 N -1.30 0.16 -1.74 -0.72 2.08 -0.98 -3.97 119.36 112.89 2qkw n ILE 208 Ca 0.03 -0.03 -0.42 0.00 0.56 0.00 0.00 62.75 62.88 2qkw n ILE 208 Cb 0.21 -1.71 -0.03 0.00 -0.75 0.00 0.00 39.64 37.36 2qkw n ILE 208 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2qkw s ASP 209 N 1.76 6.26 0.44 4.38 2.15 -1.26 -4.87 116.67 125.53 2qkw s ASP 209 Ca 0.82 2.35 0.12 0.00 0.43 0.00 0.00 52.55 56.27 2qkw s ASP 209 Cb -0.64 -2.53 1.01 0.00 -0.30 0.00 0.00 42.92 40.46 2qkw s ASP 209 CO 0.40 -1.25 2.05 1.55 -0.17 0.00 0.00 175.17 177.75 2qkw h PRO 210 N 11.42 0.37 -0.34 4.34 0.13 -1.91 0.46 132.00 146.47 2qkw h PRO 210 Ca -0.45 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 2qkw h PRO 210 Cb 1.22 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2qkw h PRO 210 CO 0.95 0.25 -0.28 1.49 -0.23 0.00 0.00 178.00 180.18 2qkw h GLU 211 N 0.38 0.70 -0.12 0.86 4.81 -1.90 0.20 114.58 119.52 2qkw h GLU 211 Ca 0.17 -0.30 -0.11 0.00 -0.13 0.00 0.00 59.36 58.99 2qkw h GLU 211 Cb 0.19 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2qkw h GLU 211 CO -0.04 0.90 -0.42 -0.92 -0.73 0.00 0.00 179.01 177.80 2qkw h TYR 212 N 0.60 0.32 0.01 0.92 3.20 -1.27 -2.53 116.97 118.21 2qkw h TYR 212 Ca 0.08 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2qkw h TYR 212 Cb 0.78 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2qkw h TYR 212 CO 0.04 0.65 -0.01 0.35 -1.64 0.00 0.00 178.16 177.55 2qkw h PHE 213 N 0.22 -0.01 0.00 -3.82 3.57 -0.50 -1.91 116.94 114.50 2qkw h PHE 213 Ca 0.02 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 2qkw h PHE 213 Cb 0.84 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 2qkw h PHE 213 CO 0.02 0.74 -0.41 -0.84 -2.23 0.00 0.00 178.31 175.58 2qkw h ILE 214 N -0.80 0.90 0.00 1.41 3.07 -0.69 -3.38 117.51 118.02 2qkw h ILE 214 Ca -0.00 -1.68 -0.11 0.00 1.55 0.00 0.00 64.86 64.62 2qkw h ILE 214 Cb 0.76 2.03 -0.02 0.00 -0.27 0.00 0.00 36.82 39.31 2qkw h ILE 214 CO 0.00 0.40 -1.43 0.29 -1.05 0.00 0.00 178.15 176.37 2qkw n LYS 215 N -3.48 1.95 -0.28 0.16 5.02 -0.95 -5.03 118.16 115.55 2qkw n LYS 215 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2qkw n LYS 215 Cb 0.55 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 2qkw n LYS 215 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qkw n GLY 216 N 2.81 0.65 3.70 0.72 0.00 -0.72 -5.05 105.19 107.31 2qkw n GLY 216 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2qkw n GLY 216 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qkw s ARG 217 N -0.71 4.44 -0.08 1.61 1.70 -1.26 -4.76 118.95 119.89 2qkw s ARG 217 Ca 0.00 1.13 -0.01 0.00 -0.47 0.00 0.00 55.73 56.38 2qkw s ARG 217 Cb 0.00 -3.49 -0.03 0.00 -0.57 0.00 0.00 34.95 30.86 2qkw s ARG 217 CO 0.00 -0.10 -0.03 -1.17 -1.08 0.00 0.00 175.30 172.91 2qkw s LEU 218 N 1.31 3.39 0.06 -1.89 2.96 0.15 -3.95 118.68 120.71 2qkw s LEU 218 Ca 0.43 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.39 2qkw s LEU 218 Cb -0.18 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 2qkw s LEU 218 CO 0.20 0.37 -0.01 0.42 -1.32 0.00 0.00 176.35 176.00 2qkw s THR 219 N -0.82 0.21 0.58 3.68 -4.23 -1.26 -0.89 115.64 112.91 2qkw s THR 219 Ca 0.12 -1.77 0.28 0.00 -1.18 0.00 0.00 61.69 59.14 2qkw s THR 219 Cb -0.11 -1.53 0.36 0.00 1.34 0.00 0.00 72.50 72.56 2qkw s THR 219 CO 0.02 -0.95 2.08 1.05 -0.54 0.00 0.00 174.62 176.28 2qkw h GLU 220 N 3.11 0.00 0.00 3.99 4.11 -1.91 0.11 114.58 124.00 2qkw h GLU 220 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.09 2qkw h GLU 220 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2qkw h GLU 220 CO 0.65 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.36 2qkw n LYS 221 N -3.89 0.00 0.20 1.06 4.76 -1.26 -2.06 118.16 116.98 2qkw n LYS 221 Ca 0.03 0.17 0.07 0.00 -2.87 0.00 0.00 58.31 55.70 2qkw n LYS 221 Cb 0.36 -1.50 0.42 0.00 -1.84 0.00 0.00 35.03 32.46 2qkw n LYS 221 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2qkw h SER 222 N 0.00 0.00 0.96 4.39 0.02 -1.17 -1.97 113.55 115.78 2qkw h SER 222 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 2qkw h SER 222 Cb 0.34 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 2qkw h SER 222 CO 0.00 0.32 -0.62 0.44 -1.14 0.00 0.00 176.83 175.83 2qkw h ASP 223 N 0.00 0.00 -0.06 3.07 3.32 -1.56 -3.06 116.42 118.14 2qkw h ASP 223 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2qkw h ASP 223 Cb 0.76 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 2qkw h ASP 223 CO 0.04 0.62 -0.01 0.58 -1.72 0.00 0.00 179.24 178.75 2qkw h VAL 224 N 0.00 1.28 -0.42 -1.35 2.07 -1.44 0.31 116.25 116.70 2qkw h VAL 224 Ca -0.01 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 66.72 2qkw h VAL 224 Cb 1.26 1.75 -0.07 0.00 -1.52 0.00 0.00 31.29 32.72 2qkw h VAL 224 CO 0.08 0.24 0.01 0.22 0.02 0.00 0.00 177.57 178.14 2qkw h TYR 225 N -0.22 -0.01 -0.68 1.57 3.20 -1.51 0.35 116.97 119.67 2qkw h TYR 225 Ca 0.01 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.94 2qkw h TYR 225 Cb 0.38 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 2qkw h TYR 225 CO 0.05 -0.08 0.43 0.77 -1.64 0.00 0.00 178.16 177.69 2qkw h SER 226 N 0.12 0.72 0.18 -2.11 0.02 -1.36 -0.87 113.55 110.25 2qkw h SER 226 Ca 0.21 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.06 2qkw h SER 226 Cb 0.30 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2qkw h SER 226 CO -0.34 0.51 -0.36 0.15 -1.14 0.00 0.00 176.83 175.65 2qkw h PHE 227 N 0.86 0.29 -0.74 3.45 3.57 0.15 -2.52 116.94 122.00 2qkw h PHE 227 Ca 0.26 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.74 2qkw h PHE 227 Cb -0.02 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 2qkw h PHE 227 CO -0.04 0.58 0.48 0.78 -2.23 0.00 0.00 178.31 177.89 2qkw h GLY 228 N 1.13 1.01 0.69 2.40 0.00 0.11 -0.59 103.07 107.82 2qkw h GLY 228 Ca 0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 2qkw h GLY 228 CO 0.06 0.28 -0.04 -2.08 0.00 0.00 0.00 176.54 174.76 2qkw h VAL 229 N 0.86 1.31 -0.92 4.60 2.07 -0.94 -3.03 116.25 120.20 2qkw h VAL 229 Ca 0.30 -1.03 0.17 0.00 0.82 0.00 0.00 66.70 66.97 2qkw h VAL 229 Cb 0.11 1.81 -0.08 0.00 -1.52 0.00 0.00 31.29 31.62 2qkw h VAL 229 CO -0.09 0.29 0.59 0.58 0.02 0.00 0.00 177.57 178.96 2qkw h VAL 230 N -0.17 0.76 -0.11 2.57 2.07 -1.10 0.18 116.25 120.44 2qkw h VAL 230 Ca 0.02 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2qkw h VAL 230 Cb 0.47 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2qkw h VAL 230 CO 0.01 0.11 0.07 -0.07 0.02 0.00 0.00 177.57 177.72 2qkw h LEU 231 N 0.61 0.13 -0.84 2.57 3.38 -1.04 0.95 115.31 121.08 2qkw h LEU 231 Ca 0.48 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.33 2qkw h LEU 231 Cb 0.90 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2qkw h LEU 231 CO -0.23 0.11 -0.49 -0.26 0.09 0.00 0.00 178.44 177.66 2qkw h PHE 232 N 0.14 0.00 -0.54 1.13 0.04 -1.19 -1.99 116.94 114.53 2qkw h PHE 232 Ca 0.04 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.74 2qkw h PHE 232 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 2qkw h PHE 232 CO -0.06 0.49 0.07 1.49 -0.60 0.00 0.00 178.31 179.69 2qkw h GLU 233 N 0.00 0.91 -0.48 1.51 4.81 -0.08 0.09 114.58 121.34 2qkw h GLU 233 Ca -0.00 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2qkw h GLU 233 Cb 1.00 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 2qkw h GLU 233 CO 0.06 0.89 0.30 0.28 -0.73 0.00 0.00 179.01 179.82 2qkw h VAL 234 N 0.80 1.14 0.39 0.32 2.07 -0.60 -2.15 116.25 118.21 2qkw h VAL 234 Ca 0.16 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2qkw h VAL 234 Cb 0.44 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2qkw h VAL 234 CO 0.01 0.14 -0.19 0.25 0.02 0.00 0.00 177.57 177.81 2qkw h LEU 235 N 0.65 -0.44 0.00 2.57 5.85 -0.97 -3.31 115.31 119.66 2qkw h LEU 235 Ca 0.17 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2qkw h LEU 235 Cb -0.04 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2qkw h LEU 235 CO -0.03 -0.05 -0.17 0.00 -0.34 0.00 0.00 178.44 177.84 2qkw n ALA 237 N -1.83 0.00 -0.23 0.00 0.00 -0.81 -3.42 120.51 114.23 2qkw n ALA 237 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 2qkw n ALA 237 Cb 0.44 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.93 2qkw n ALA 237 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2qkw n ARG 238 N -1.27 0.61 0.00 0.00 0.00 -1.26 -4.40 116.66 110.34 2qkw n ARG 238 Ca 0.00 -0.68 0.03 0.00 -0.00 0.00 0.00 57.85 57.19 2qkw n ARG 238 Cb 0.07 -2.03 0.15 0.00 0.00 0.00 0.00 32.46 30.65 2qkw n ARG 238 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2qkw n SER 239 N 4.38 0.00 0.11 6.15 2.88 -1.26 -1.06 113.62 124.81 2qkw n SER 239 Ca 0.13 -0.74 0.12 0.00 -1.33 0.00 0.00 58.87 57.05 2qkw n SER 239 Cb 0.07 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.69 2qkw n SER 239 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qkw h ALA 240 N 2.26 0.69 -0.08 -1.46 0.00 -1.89 -3.48 119.26 115.31 2qkw h ALA 240 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qkw h ALA 240 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qkw h ALA 240 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 179.25 180.76 2qkw n ILE 241 N -2.45 0.00 -2.26 0.00 3.06 -0.23 -4.17 119.36 113.32 2qkw n ILE 241 Ca 0.03 0.00 -0.43 0.00 -2.50 0.00 0.00 62.75 59.85 2qkw n ILE 241 Cb 0.48 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.64 2qkw n ILE 241 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2qkw s VAL 242 N 0.00 3.79 -0.28 9.51 0.11 -1.26 -3.25 120.40 129.02 2qkw s VAL 242 Ca 0.00 0.79 0.02 0.00 -2.93 0.00 0.00 61.98 59.87 2qkw s VAL 242 Cb 0.00 -4.07 0.07 0.00 -1.53 0.00 0.00 36.38 30.85 2qkw s VAL 242 CO 0.00 -0.69 -0.03 -1.58 -3.33 0.00 0.00 175.10 169.47 2qkw s GLN 243 N 5.16 1.74 -0.68 1.54 2.00 -0.75 -5.03 119.66 123.63 2qkw s GLN 243 Ca 0.66 -1.36 -0.05 0.00 -2.00 0.00 0.00 55.36 52.60 2qkw s GLN 243 Cb -0.16 -2.82 -0.00 0.00 0.80 0.00 0.00 33.01 30.83 2qkw s GLN 243 CO 0.33 -0.71 2.86 0.43 -0.50 0.00 0.00 175.29 177.70 2qkw n SER 244 N 4.49 6.83 0.07 6.67 7.64 -1.26 -4.13 113.62 133.92 2qkw n SER 244 Ca -0.08 -3.00 0.00 0.00 1.01 0.00 0.00 58.87 56.81 2qkw n SER 244 Cb 0.43 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 2qkw n SER 244 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2qkw n LEU 245 N 1.63 0.16 0.00 -3.43 4.77 -1.26 -5.14 117.00 113.72 2qkw n LEU 245 Ca 0.54 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 2qkw n LEU 245 Cb 0.52 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2qkw n LEU 245 CO 0.42 -0.59 0.00 -2.65 -1.33 0.00 0.00 177.39 173.24 2qkw n PRO 246 N -3.15 0.77 0.00 3.23 -0.02 -1.26 -5.08 135.00 129.49 2qkw n PRO 246 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2qkw n PRO 246 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.56 2qkw n PRO 246 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qkw n ARG 247 N -0.18 2.69 0.00 -0.52 3.00 -1.26 -4.73 116.66 115.66 2qkw n ARG 247 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2qkw n ARG 247 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2qkw n ARG 247 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2qkw n GLU 248 N 0.00 0.78 -1.25 5.56 2.13 -1.26 -3.75 120.64 122.85 2qkw n GLU 248 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 2qkw n GLU 248 Cb 0.00 -1.01 0.11 0.00 0.27 0.00 0.00 31.44 30.81 2qkw n GLU 248 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qkw n MET 249 N -0.49 2.46 -0.06 5.31 0.00 -1.26 -4.64 117.12 118.43 2qkw n MET 249 Ca 0.00 -3.03 -0.15 0.00 0.00 0.00 0.00 57.70 54.52 2qkw n MET 249 Cb 0.00 -2.19 -0.06 0.00 0.00 0.00 0.00 33.22 30.98 2qkw n MET 249 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 2qkw h VAL 250 N 0.98 1.32 -3.60 3.17 3.04 -1.80 -3.42 116.25 115.94 2qkw h VAL 250 Ca 0.59 -1.65 -0.63 0.00 -1.01 0.00 0.00 66.70 64.00 2qkw h VAL 250 Cb 1.51 1.84 -0.14 0.00 -2.01 0.00 0.00 31.29 32.49 2qkw h VAL 250 CO 1.36 0.51 -0.02 0.21 -1.01 0.00 0.00 177.57 178.62 2qkw s ASN 251 N -6.66 6.36 0.23 3.17 3.84 -1.26 -1.81 114.94 118.81 2qkw s ASN 251 Ca -0.12 0.16 -0.06 0.00 0.21 0.00 0.00 52.86 53.05 2qkw s ASN 251 Cb 0.08 -2.28 0.23 0.00 -0.55 0.00 0.00 41.25 38.73 2qkw s ASN 251 CO 0.84 -0.44 1.80 0.25 -2.79 0.00 0.00 177.10 176.76 2qkw h LEU 252 N 9.04 1.02 0.00 3.21 7.12 -1.81 0.18 115.31 134.08 2qkw h LEU 252 Ca -0.28 -0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.57 2qkw h LEU 252 Cb 1.13 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.99 2qkw h LEU 252 CO 0.76 0.92 0.00 0.00 -0.13 0.00 0.00 178.44 179.99 2qkw n ALA 253 N -2.44 2.13 0.00 1.25 0.00 -1.26 -1.75 120.51 118.44 2qkw n ALA 253 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2qkw n ALA 253 Cb 0.19 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2qkw n ALA 253 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qkw n GLU 254 N -0.69 0.00 0.06 0.00 2.13 -0.61 -4.42 120.64 117.10 2qkw n GLU 254 Ca 0.05 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.82 2qkw n GLU 254 Cb 0.02 -0.80 0.13 0.00 0.27 0.00 0.00 31.44 31.07 2qkw n GLU 254 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 2qkw h TRP 255 N 0.00 0.43 -0.04 4.31 2.91 -0.62 -1.62 115.95 121.32 2qkw h TRP 255 Ca 0.00 -0.14 -0.23 0.00 1.13 0.00 0.00 58.89 59.65 2qkw h TRP 255 Cb 0.70 -0.09 0.01 0.00 -0.51 0.00 0.00 29.16 29.28 2qkw h TRP 255 CO 0.00 0.79 -0.90 0.00 -1.03 0.00 0.00 178.44 177.30 2qkw h ALA 256 N 1.18 0.34 -0.59 2.65 0.00 -1.58 -3.18 119.26 118.09 2qkw h ALA 256 Ca 0.01 -0.67 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 2qkw h ALA 256 Cb 0.99 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2qkw h ALA 256 CO 0.08 0.75 0.04 0.28 0.00 0.00 0.00 179.25 180.40 2qkw h VAL 257 N 0.33 1.26 0.00 0.00 2.07 -1.76 -2.07 116.25 116.08 2qkw h VAL 257 Ca -0.08 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.37 2qkw h VAL 257 Cb 1.53 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2qkw h VAL 257 CO 0.17 0.39 0.19 1.21 0.02 0.00 0.00 177.57 179.54 2qkw n GLU 258 N -4.20 0.02 0.00 1.57 4.07 -0.62 -3.08 120.64 118.40 2qkw n GLU 258 Ca 0.03 0.37 0.00 0.00 -0.06 0.00 0.00 57.16 57.50 2qkw n GLU 258 Cb 0.32 -1.74 0.00 0.00 -0.06 0.00 0.00 31.44 29.95 2qkw n GLU 258 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2qkw n SER 259 N -1.45 0.00 -0.62 4.31 7.64 -0.81 -2.76 113.62 119.93 2qkw n SER 259 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2qkw n SER 259 Cb 0.19 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 2qkw n SER 259 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2qkw n HIS 260 N -1.75 0.00 0.00 1.43 8.25 -0.98 -0.95 115.22 121.22 2qkw n HIS 260 Ca 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2qkw n HIS 260 Cb 0.00 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.05 2qkw n HIS 260 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2qkw n ASN 261 N 0.44 0.34 0.00 0.41 2.85 -1.18 -4.66 115.26 113.46 2qkw n ASN 261 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2qkw n ASN 261 Cb 0.11 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.13 2qkw n ASN 261 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2qkw n ASN 262 N -2.94 0.00 0.24 1.20 3.02 -0.77 -4.99 115.26 111.02 2qkw n ASN 262 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.65 2qkw n ASN 262 Cb 0.49 0.00 0.59 0.00 -0.61 0.00 0.00 39.78 40.25 2qkw n ASN 262 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2qkw h GLY 263 N 0.00 0.00 0.00 7.41 0.00 -1.31 -3.43 103.07 105.74 2qkw h GLY 263 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qkw h GLY 263 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 2qkw n GLN 264 N -3.61 0.00 -3.44 4.80 1.13 -1.02 -4.96 117.38 110.28 2qkw n GLN 264 Ca -0.01 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.87 2qkw n GLN 264 Cb 0.32 0.00 0.07 0.00 0.11 0.00 0.00 30.24 30.75 2qkw n GLN 264 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2qkw n LEU 265 N -0.58 -4.25 -4.65 1.08 7.94 -0.12 -4.79 117.00 111.63 2qkw n LEU 265 Ca 0.00 -0.69 -0.42 0.00 -1.11 0.00 0.00 56.01 53.79 2qkw n LEU 265 Cb 0.00 -3.05 -0.03 0.00 0.53 0.00 0.00 43.42 40.87 2qkw n LEU 265 CO 0.00 0.32 1.64 -1.61 -1.11 0.00 0.00 177.39 176.62 2qkw s GLU 266 N -5.24 3.93 0.00 1.96 2.02 -1.26 -4.80 118.70 115.30 2qkw s GLU 266 Ca 0.13 2.45 0.30 0.00 0.02 0.00 0.00 54.97 57.87 2qkw s GLU 266 Cb -0.02 -4.19 1.46 0.00 0.10 0.00 0.00 34.13 31.48 2qkw s GLU 266 CO 0.75 -1.20 1.98 1.04 0.02 0.00 0.00 175.26 177.85 2qkw n GLN 267 N 7.78 1.27 0.00 1.61 6.02 -1.26 -3.98 117.38 128.82 2qkw n GLN 267 Ca 0.22 -0.46 0.12 0.00 -0.01 0.00 0.00 57.00 56.87 2qkw n GLN 267 Cb 0.42 -1.49 0.18 0.00 1.02 0.00 0.00 30.24 30.37 2qkw n GLN 267 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2qkw n ILE 268 N -0.46 0.00 0.53 5.09 5.41 -1.26 -4.40 119.36 124.27 2qkw n ILE 268 Ca 0.21 -0.04 0.13 0.00 1.00 0.00 0.00 62.75 64.05 2qkw n ILE 268 Cb 0.23 0.50 0.36 0.00 -0.71 0.00 0.00 39.64 40.03 2qkw n ILE 268 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 2qkw h VAL 269 N 0.37 0.00 -1.70 1.39 -1.51 -1.98 -3.47 116.25 109.35 2qkw h VAL 269 Ca 0.00 -0.58 -0.44 0.00 -1.23 0.00 0.00 66.70 64.46 2qkw h VAL 269 Cb 0.52 1.57 0.01 0.00 -2.13 0.00 0.00 31.29 31.26 2qkw h VAL 269 CO 0.00 0.00 -0.32 1.51 -1.23 0.00 0.00 177.57 177.53 2qkw s ASP 270 N -4.88 5.86 0.00 4.19 -4.77 -1.26 -4.57 116.67 111.23 2qkw s ASP 270 Ca 0.10 -0.26 0.00 0.00 -3.30 0.00 0.00 52.55 49.08 2qkw s ASP 270 Cb 0.11 -1.06 0.00 0.00 -1.09 0.00 0.00 42.92 40.87 2qkw s ASP 270 CO 0.61 -0.52 0.00 -0.81 0.70 0.00 0.00 175.17 175.14 2qkw n PRO 271 N -1.69 0.00 -3.25 2.11 -0.04 -1.22 -4.78 135.00 126.13 2qkw n PRO 271 Ca 0.02 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.22 2qkw n PRO 271 Cb 0.58 -0.01 -0.07 0.00 -0.04 0.00 0.00 33.50 33.97 2qkw n PRO 271 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2qkw n ASN 272 N 0.00 3.00 -0.80 3.54 4.05 -1.26 -4.77 115.26 119.02 2qkw n ASN 272 Ca 0.00 -3.32 0.07 0.00 0.45 0.00 0.00 54.58 51.78 2qkw n ASN 272 Cb 0.00 -0.64 0.21 0.00 1.23 0.00 0.00 39.78 40.58 2qkw n ASN 272 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2qkw n LEU 273 N 0.66 2.32 0.00 1.20 4.77 -1.26 -5.04 117.00 119.66 2qkw n LEU 273 Ca 0.28 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 2qkw n LEU 273 Cb 0.45 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2qkw n LEU 273 CO 0.33 0.57 0.00 0.00 -1.33 0.00 0.00 177.39 176.97 2qkw n ALA 274 N 0.77 0.00 -2.51 -1.18 0.00 -1.26 -2.72 120.51 113.61 2qkw n ALA 274 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 2qkw n ALA 274 Cb 0.37 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.84 2qkw n ALA 274 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qkw n ASP 275 N -2.54 7.46 -0.00 0.00 8.00 -1.26 -4.58 116.55 123.63 2qkw n ASP 275 Ca 0.00 -3.62 0.03 0.00 0.71 0.00 0.00 54.79 51.91 2qkw n ASP 275 Cb 0.00 -1.19 -0.04 0.00 -0.02 0.00 0.00 41.12 39.86 2qkw n ASP 275 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2qkw n LYS 276 N 0.17 1.19 -3.47 -1.24 5.02 -1.10 -4.95 118.16 113.77 2qkw n LYS 276 Ca 0.49 -0.04 -0.38 0.00 -2.02 0.00 0.00 58.31 56.36 2qkw n LYS 276 Cb 0.26 -1.07 -0.08 0.00 -0.02 0.00 0.00 35.03 34.12 2qkw n LYS 276 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qkw s ILE 277 N -2.24 5.24 -0.00 -0.18 1.01 -1.26 -4.94 121.20 118.83 2qkw s ILE 277 Ca -0.01 0.53 -0.30 0.00 0.00 0.00 0.00 60.65 60.87 2qkw s ILE 277 Cb 0.04 -3.66 -0.07 0.00 0.01 0.00 0.00 42.46 38.78 2qkw s ILE 277 CO 0.25 0.26 1.71 -0.60 0.00 0.00 0.00 174.94 176.55 2qkw s ARG 278 N 1.39 4.18 0.31 2.79 3.52 -1.26 -4.87 118.95 125.01 2qkw s ARG 278 Ca 0.15 2.30 0.08 0.00 -0.13 0.00 0.00 55.73 58.12 2qkw s ARG 278 Cb -0.15 -3.90 0.85 0.00 -1.56 0.00 0.00 34.95 30.19 2qkw s ARG 278 CO 0.07 -0.83 1.69 -1.00 -0.81 0.00 0.00 175.30 174.42 2qkw h PRO 279 N 9.36 0.39 -0.53 5.12 0.13 -1.96 0.31 132.00 144.82 2qkw h PRO 279 Ca -0.42 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 2qkw h PRO 279 Cb 1.19 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2qkw h PRO 279 CO 0.94 0.26 0.24 1.49 -0.23 0.00 0.00 178.00 180.71 2qkw h GLU 280 N 0.40 0.74 0.02 0.86 4.81 -1.90 -0.31 114.58 119.20 2qkw h GLU 280 Ca 0.62 -0.09 -0.21 0.00 -0.13 0.00 0.00 59.36 59.56 2qkw h GLU 280 Cb 1.26 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2qkw h GLU 280 CO -0.55 0.58 -0.93 0.66 -0.73 0.00 0.00 179.01 178.03 2qkw h SER 281 N 0.74 0.20 -0.71 1.04 4.64 -0.56 -2.33 113.55 116.57 2qkw h SER 281 Ca 0.18 -0.18 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2qkw h SER 281 Cb 0.09 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 2qkw h SER 281 CO -0.02 1.03 0.27 0.25 -0.87 0.00 0.00 176.83 177.48 2qkw h LEU 282 N 0.07 0.99 -0.45 5.97 5.85 -0.86 0.21 115.31 127.09 2qkw h LEU 282 Ca -0.05 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 2qkw h LEU 282 Cb 1.60 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 2qkw h LEU 282 CO 0.14 0.90 0.12 -0.09 -0.34 0.00 0.00 178.44 179.17 2qkw h ARG 283 N 1.02 0.72 -0.30 1.25 2.43 -1.04 -1.75 114.38 116.71 2qkw h ARG 283 Ca 0.23 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2qkw h ARG 283 Cb 0.23 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2qkw h ARG 283 CO -0.02 0.71 0.07 -0.22 -1.51 0.00 0.00 179.97 179.00 2qkw h LYS 284 N 0.60 0.47 -0.22 0.20 1.63 -1.11 0.21 116.57 118.35 2qkw h LYS 284 Ca 0.14 -0.11 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 2qkw h LYS 284 Cb 0.31 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 2qkw h LYS 284 CO 0.00 0.55 0.07 0.35 -3.45 0.00 0.00 179.45 176.98 2qkw h PHE 285 N 0.31 0.36 -0.38 1.91 3.57 -0.60 -2.04 116.94 120.06 2qkw h PHE 285 Ca 0.09 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 2qkw h PHE 285 Cb 0.29 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2qkw h PHE 285 CO 0.01 0.41 -0.11 0.78 -2.23 0.00 0.00 178.31 177.18 2qkw h GLY 286 N 0.19 0.73 0.87 2.40 0.00 -1.22 -1.91 103.07 104.13 2qkw h GLY 286 Ca 0.07 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 2qkw h GLY 286 CO -0.00 0.49 0.02 -1.80 0.00 0.00 0.00 176.54 175.25 2qkw h ASP 287 N 0.61 0.45 -0.05 0.19 3.58 -0.42 0.63 116.42 121.40 2qkw h ASP 287 Ca 0.11 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2qkw h ASP 287 Cb 0.55 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 2qkw h ASP 287 CO 0.03 0.62 0.03 0.74 -2.88 0.00 0.00 179.24 177.78 2qkw h THR 288 N 0.26 1.00 -0.03 2.25 2.02 -1.32 -0.22 112.91 116.87 2qkw h THR 288 Ca 0.08 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 2qkw h THR 288 Cb 0.38 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2qkw h THR 288 CO 0.01 0.01 -0.13 0.00 0.37 0.00 0.00 175.52 175.78 2qkw h ALA 289 N 1.03 1.72 -0.16 6.16 0.00 -1.26 -1.01 119.26 125.75 2qkw h ALA 289 Ca 0.02 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 2qkw h ALA 289 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2qkw h ALA 289 CO -0.02 0.21 -0.45 0.28 0.00 0.00 0.00 179.25 179.27 2qkw h VAL 290 N 0.05 1.34 0.00 0.00 2.07 -0.50 -3.22 116.25 116.00 2qkw h VAL 290 Ca 0.01 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 65.77 2qkw h VAL 290 Cb 0.26 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2qkw h VAL 290 CO 0.02 0.53 -0.21 0.11 0.02 0.00 0.00 177.57 178.03 2qkw h LYS 291 N 0.24 0.00 0.00 1.57 1.57 -0.57 -1.86 116.57 117.52 2qkw h LYS 291 Ca -0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2qkw h LYS 291 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 2qkw h LYS 291 CO 0.10 0.21 -0.39 0.00 -0.57 0.00 0.00 179.45 178.80 2qkw n LEU 293 N -4.06 3.79 -4.58 0.00 4.77 -0.70 -3.45 117.00 112.77 2qkw n LEU 293 Ca -0.02 -1.91 -0.45 0.00 -0.03 0.00 0.00 56.01 53.60 2qkw n LEU 293 Cb 0.43 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 2qkw n LEU 293 CO 0.39 0.73 0.58 0.00 -1.33 0.00 0.00 177.39 177.76 2qkw n ALA 294 N 1.03 -0.37 -0.12 -1.18 0.00 -1.18 -4.87 120.51 113.83 2qkw n ALA 294 Ca 0.21 0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.97 2qkw n ALA 294 Cb 0.68 -2.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.11 2qkw n ALA 294 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2qkw h LEU 295 N 2.19 0.45 -9.63 0.00 3.38 -1.93 -3.40 115.31 106.36 2qkw h LEU 295 Ca -0.40 -0.09 -0.58 0.00 0.09 0.00 0.00 57.88 56.90 2qkw h LEU 295 Cb 1.34 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 2qkw h LEU 295 CO 0.62 0.41 -0.08 -0.94 0.09 0.00 0.00 178.44 178.54 2qkw s SER 296 N -5.66 6.95 0.56 -0.43 1.04 -1.26 -4.27 113.70 110.64 2qkw s SER 296 Ca -0.13 1.13 0.38 0.00 0.48 0.00 0.00 55.95 57.81 2qkw s SER 296 Cb 0.10 -2.33 1.95 0.00 0.10 0.00 0.00 66.02 65.84 2qkw s SER 296 CO 0.73 0.23 2.14 0.77 0.98 0.00 0.00 173.24 178.09 2qkw h SER 297 N 4.99 0.00 -0.96 7.02 4.64 -1.95 -2.92 113.55 124.38 2qkw h SER 297 Ca -0.48 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2qkw h SER 297 Cb 1.21 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 2qkw h SER 297 CO 0.65 0.00 0.59 -0.08 -0.87 0.00 0.00 176.83 177.12 2qkw h GLU 298 N 0.00 1.29 0.00 4.77 4.57 -1.94 -2.99 114.58 120.29 2qkw h GLU 298 Ca 0.00 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2qkw h GLU 298 Cb 0.11 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 2qkw h GLU 298 CO 0.00 0.89 -0.40 -0.25 -1.18 0.00 0.00 179.01 178.08 2qkw n ASP 299 N -4.36 0.42 -4.79 1.04 8.00 -1.10 -4.92 116.55 110.85 2qkw n ASP 299 Ca 0.11 -0.02 -0.36 0.00 0.71 0.00 0.00 54.79 55.23 2qkw n ASP 299 Cb 0.05 0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 2qkw n ASP 299 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2qkw s ARG 300 N -3.02 4.09 0.56 -1.24 0.52 -1.13 -4.94 118.95 113.78 2qkw s ARG 300 Ca 0.11 1.46 -0.17 0.00 -0.52 0.00 0.00 55.73 56.61 2qkw s ARG 300 Cb 0.17 -2.43 -0.05 0.00 0.52 0.00 0.00 34.95 33.16 2qkw s ARG 300 CO 0.66 -0.19 1.05 -1.25 0.02 0.00 0.00 175.30 175.59 2qkw s PRO 301 N -2.68 3.48 0.43 3.54 0.04 -1.26 -5.03 135.00 133.53 2qkw s PRO 301 Ca 0.60 1.27 -0.23 0.00 0.04 0.00 0.00 61.00 62.67 2qkw s PRO 301 Cb -0.20 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 2qkw s PRO 301 CO 0.25 -0.68 1.13 -1.54 0.04 0.00 0.00 177.00 176.20 2qkw s SER 302 N -2.48 6.40 0.47 6.66 1.04 -1.26 -4.79 113.70 119.74 2qkw s SER 302 Ca 0.65 2.22 0.31 0.00 0.48 0.00 0.00 55.95 59.61 2qkw s SER 302 Cb -0.16 -2.60 1.41 0.00 0.10 0.00 0.00 66.02 64.77 2qkw s SER 302 CO 0.31 -0.75 1.70 0.24 0.98 0.00 0.00 173.24 175.71 2qkw h MET 303 N 2.25 0.13 -0.19 4.02 2.86 -1.96 0.46 114.93 122.51 2qkw h MET 303 Ca -0.49 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.20 2qkw h MET 303 Cb 1.23 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.80 2qkw h MET 303 CO 0.61 0.09 -0.20 0.78 1.06 0.00 0.00 176.91 179.25 2qkw h GLY 304 N 0.14 -0.12 0.84 8.32 0.00 -1.91 0.40 103.07 110.73 2qkw h GLY 304 Ca 0.72 0.25 -0.09 0.00 0.00 0.00 0.00 47.33 48.21 2qkw h GLY 304 CO -0.24 -0.18 -0.24 -0.55 0.00 0.00 0.00 176.54 175.32 2qkw h ASP 305 N -0.23 0.54 -0.81 0.19 3.32 -0.58 -2.30 116.42 116.56 2qkw h ASP 305 Ca 0.12 -0.50 0.20 0.00 0.02 0.00 0.00 57.03 56.86 2qkw h ASP 305 Cb 0.41 -0.15 -0.14 0.00 0.22 0.00 0.00 39.33 39.66 2qkw h ASP 305 CO -0.32 0.93 0.07 0.58 -1.72 0.00 0.00 179.24 178.78 2qkw h VAL 306 N 0.16 0.31 0.05 -1.35 2.07 -0.67 0.17 116.25 116.98 2qkw h VAL 306 Ca 0.02 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2qkw h VAL 306 Cb 0.80 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2qkw h VAL 306 CO 0.06 0.02 -0.03 0.25 0.02 0.00 0.00 177.57 177.89 2qkw h LEU 307 N 0.13 -0.07 -0.79 2.57 5.85 0.00 -1.10 115.31 121.90 2qkw h LEU 307 Ca 0.46 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.18 2qkw h LEU 307 Cb 0.86 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 2qkw h LEU 307 CO -0.68 -0.05 0.44 -0.25 -0.34 0.00 0.00 178.44 177.55 2qkw h TRP 308 N -0.08 1.07 -0.30 1.25 7.01 -0.62 -1.72 115.95 122.57 2qkw h TRP 308 Ca -0.00 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.98 2qkw h TRP 308 Cb 0.07 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 26.77 2qkw h TRP 308 CO -0.08 0.75 0.20 0.87 -2.79 0.00 0.00 178.44 177.38 2qkw h LYS 309 N 1.09 0.39 -0.52 2.65 1.57 -0.56 -1.16 116.57 120.04 2qkw h LYS 309 Ca 0.28 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2qkw h LYS 309 Cb 0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2qkw h LYS 309 CO -0.05 0.26 0.29 -0.07 -0.57 0.00 0.00 179.45 179.31 2qkw h LEU 310 N 0.40 0.64 -1.34 2.94 3.38 -0.88 0.30 115.31 120.75 2qkw h LEU 310 Ca 0.11 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2qkw h LEU 310 Cb -0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2qkw h LEU 310 CO -0.02 0.54 0.11 -0.33 0.09 0.00 0.00 178.44 178.82 2qkw h GLU 311 N 0.69 0.56 -0.01 1.13 5.08 -1.18 -0.85 114.58 119.99 2qkw h GLU 311 Ca 0.18 -0.09 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 2qkw h GLU 311 Cb 0.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2qkw h GLU 311 CO -0.03 0.50 -0.82 -0.92 -1.00 0.00 0.00 179.01 176.75 2qkw h TYR 312 N 0.55 0.24 -0.09 4.33 3.20 -0.76 -0.68 116.97 123.76 2qkw h TYR 312 Ca 0.13 -0.12 -0.15 0.00 3.14 0.00 0.00 58.73 61.72 2qkw h TYR 312 Cb 0.19 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2qkw h TYR 312 CO 0.01 0.91 -0.61 0.00 -1.64 0.00 0.00 178.16 176.82 2qkw h ALA 313 N 1.05 0.78 -0.44 1.82 0.00 -0.46 0.49 119.26 122.51 2qkw h ALA 313 Ca -0.03 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.26 2qkw h ALA 313 Cb 1.42 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2qkw h ALA 313 CO 0.12 0.73 -0.00 1.25 0.00 0.00 0.00 179.25 181.34 2qkw h LEU 314 N 0.24 0.76 -0.66 0.00 5.85 -1.13 -3.00 115.31 117.37 2qkw h LEU 314 Ca -0.01 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.45 2qkw h LEU 314 Cb 1.14 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 2qkw h LEU 314 CO 0.10 0.88 0.39 -0.09 -0.34 0.00 0.00 178.44 179.38 2qkw h ARG 315 N 0.61 0.71 -3.00 1.25 2.43 -0.82 -3.24 114.38 112.32 2qkw h ARG 315 Ca 0.12 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 59.00 2qkw h ARG 315 Cb 0.50 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2qkw h ARG 315 CO 0.02 0.47 1.44 1.28 -1.51 0.00 0.00 179.97 181.68 2qkw n LEU 316 N -4.75 4.00 -2.70 3.80 4.77 0.17 -3.91 117.00 118.39 2qkw n LEU 316 Ca 0.08 -2.48 -0.07 0.00 -0.03 0.00 0.00 56.01 53.51 2qkw n LEU 316 Cb 0.13 -0.95 0.06 0.00 -2.33 0.00 0.00 43.42 40.33 2qkw n LEU 316 CO 0.31 0.65 0.10 0.00 -1.33 0.00 0.00 177.39 177.12 2qkw n GLN 317 N 3.55 1.26 0.17 3.23 1.13 -1.23 -3.98 117.38 121.52 2qkw n GLN 317 Ca 0.35 -2.81 0.00 0.00 -1.94 0.00 0.00 57.00 52.59 2qkw n GLN 317 Cb 0.30 -0.90 0.00 0.00 0.11 0.00 0.00 30.24 29.75 2qkw n GLN 317 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 2qkw n GLU 318 N -0.37 0.00 -2.47 -1.09 0.28 -1.25 -5.11 120.64 110.63 2qkw n GLU 318 Ca 0.04 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.71 2qkw n GLU 318 Cb 0.83 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.67 2qkw n GLU 318 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2qkw s SER 319 N -2.33 6.33 0.82 -1.84 1.04 -1.26 -5.06 113.70 111.40 2qkw s SER 319 Ca 0.00 1.85 -0.12 0.00 0.48 0.00 0.00 55.95 58.16 2qkw s SER 319 Cb 0.00 -2.55 0.09 0.00 0.10 0.00 0.00 66.02 63.66 2qkw s SER 319 CO 0.00 -0.79 1.13 0.68 0.98 0.00 0.00 173.24 175.24 2qkw s VAL 320 N -2.14 2.50 -0.22 5.02 -7.23 -1.26 -5.23 120.40 111.85 2qkw s VAL 320 Ca 0.65 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.99 2qkw s VAL 320 Cb -0.15 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.77 2qkw s VAL 320 CO 0.23 -0.21 0.05 -0.38 -0.31 0.00 0.00 175.10 174.48