#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qky s ARG 40 N 0.00 1.54 1.18 1.09 0.52 -1.26 -5.05 118.95 116.97 2qky s ARG 40 Ca 0.00 1.49 -0.19 0.00 -0.52 0.00 0.00 55.73 56.52 2qky s ARG 40 Cb 0.00 -1.79 0.28 0.00 0.52 0.00 0.00 34.95 33.95 2qky s ARG 40 CO 0.00 -2.23 1.12 -1.59 0.02 0.00 0.00 175.30 172.61 2qky s LYS 41 N -4.58 -1.03 0.25 3.54 -2.85 -1.26 -4.67 119.74 109.15 2qky s LYS 41 Ca 0.67 -0.03 0.04 0.00 -1.00 0.00 0.00 55.97 55.64 2qky s LYS 41 Cb -0.22 -1.62 -0.05 0.00 -2.06 0.00 0.00 37.83 33.88 2qky s LYS 41 CO 0.55 -3.59 0.01 0.95 0.10 0.00 0.00 175.35 173.37 2qky s THR 42 N -3.04 1.09 -0.26 3.79 -4.23 -1.26 -0.93 115.64 110.80 2qky s THR 42 Ca 0.71 -2.03 -0.28 0.00 -1.18 0.00 0.00 61.69 58.90 2qky s THR 42 Cb -0.10 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 2qky s THR 42 CO 0.56 -0.25 1.97 -0.47 -0.54 0.00 0.00 174.62 175.89 2qky s TYR 43 N -3.38 1.54 0.39 3.99 5.04 -1.26 -4.89 117.35 118.77 2qky s TYR 43 Ca 0.31 0.53 -0.02 0.00 -2.44 0.00 0.00 57.07 55.45 2qky s TYR 43 Cb 0.06 -4.04 -0.04 0.00 0.35 0.00 0.00 41.96 38.30 2qky s TYR 43 CO 0.10 -3.55 0.63 0.95 -1.34 0.00 0.00 175.55 172.34 2qky s THR 44 N 7.23 5.03 0.56 4.34 -4.23 -1.26 -3.95 115.64 123.36 2qky s THR 44 Ca 0.88 -0.20 0.24 0.00 -1.18 0.00 0.00 61.69 61.43 2qky s THR 44 Cb -0.28 -3.85 0.32 0.00 1.34 0.00 0.00 72.50 70.03 2qky s THR 44 CO 0.34 -0.63 2.21 0.25 -0.54 0.00 0.00 174.62 176.25 2qky h LEU 45 N 0.66 0.00 -0.09 4.79 5.85 -1.92 -1.00 115.31 123.59 2qky h LEU 45 Ca -0.49 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 2qky h LEU 45 Cb 1.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 2qky h LEU 45 CO 0.62 0.00 -0.05 0.74 -0.34 0.00 0.00 178.44 179.41 2qky h THR 46 N 0.00 1.33 -0.14 1.05 2.02 -1.96 0.39 112.91 115.60 2qky h THR 46 Ca 0.00 -1.08 0.04 0.00 0.77 0.00 0.00 66.41 66.15 2qky h THR 46 Cb 0.01 1.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2qky h THR 46 CO -0.00 0.30 0.41 0.44 0.37 0.00 0.00 175.52 177.05 2qky h ASP 47 N -0.17 0.00 0.00 4.18 3.45 -1.53 0.90 116.42 123.24 2qky h ASP 47 Ca 0.02 0.00 -0.22 0.00 0.43 0.00 0.00 57.03 57.26 2qky h ASP 47 Cb 0.50 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.24 2qky h ASP 47 CO 0.01 0.00 -1.42 0.00 -1.57 0.00 0.00 179.24 176.27 2qky n TYR 48 N -3.13 0.64 0.23 4.55 9.36 -1.02 -1.98 117.16 125.83 2qky n TYR 48 Ca 0.01 0.28 0.12 0.00 3.32 0.00 0.00 57.90 61.63 2qky n TYR 48 Cb 0.50 -0.95 0.61 0.00 -0.63 0.00 0.00 39.34 38.87 2qky n TYR 48 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2qky h LEU 49 N -1.00 0.00 -3.50 2.98 3.38 0.13 -2.75 115.31 114.55 2qky h LEU 49 Ca -0.34 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.45 2qky h LEU 49 Cb 1.20 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.68 2qky h LEU 49 CO -0.20 0.00 -0.84 0.29 0.09 0.00 0.00 178.44 177.78 2qky n LYS 50 N -2.32 1.36 -3.31 1.13 4.76 0.30 -4.97 118.16 115.11 2qky n LYS 50 Ca -0.01 -3.01 -0.14 0.00 -2.87 0.00 0.00 58.31 52.28 2qky n LYS 50 Cb 0.09 -1.15 -0.04 0.00 -1.84 0.00 0.00 35.03 32.09 2qky n LYS 50 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2qky n ASN 51 N -0.41 0.41 0.20 4.39 3.02 -1.04 -4.74 115.26 117.10 2qky n ASN 51 Ca 0.16 -0.57 0.15 0.00 -0.03 0.00 0.00 54.58 54.28 2qky n ASN 51 Cb 0.91 -0.71 0.58 0.00 -0.61 0.00 0.00 39.78 39.95 2qky n ASN 51 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2qky h THR 52 N -0.25 0.00 -3.44 3.41 1.35 -1.66 -3.37 112.91 108.94 2qky h THR 52 Ca -0.30 -0.38 -0.58 0.00 -0.55 0.00 0.00 66.41 64.61 2qky h THR 52 Cb 0.63 1.25 -0.39 0.00 -1.73 0.00 0.00 68.15 67.91 2qky h THR 52 CO 0.32 0.00 -0.77 -0.31 -0.25 0.00 0.00 175.52 174.51 2qky s TYR 53 N -3.48 1.86 -0.24 4.73 2.02 -1.26 -5.12 117.35 115.86 2qky s TYR 53 Ca 0.03 -1.48 -0.08 0.00 -0.37 0.00 0.00 57.07 55.16 2qky s TYR 53 Cb 0.09 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 40.16 2qky s TYR 53 CO 0.47 -0.74 0.09 1.03 -1.57 0.00 0.00 175.55 174.83 2qky s ARG 54 N 1.57 3.80 0.25 -0.62 0.52 -1.26 -5.07 118.95 118.14 2qky s ARG 54 Ca -0.01 -0.41 -0.30 0.00 -0.52 0.00 0.00 55.73 54.49 2qky s ARG 54 Cb -0.18 -3.36 -0.09 0.00 0.52 0.00 0.00 34.95 31.84 2qky s ARG 54 CO -0.10 -0.06 1.32 -0.51 0.02 0.00 0.00 175.30 175.97 2qky s LEU 55 N 1.30 4.42 0.33 2.53 1.02 -1.26 -4.82 118.68 122.21 2qky s LEU 55 Ca 0.05 2.52 -0.10 0.00 0.02 0.00 0.00 54.13 56.63 2qky s LEU 55 Cb -0.15 -3.62 -0.07 0.00 0.02 0.00 0.00 46.19 42.37 2qky s LEU 55 CO 0.04 -0.54 0.67 -0.54 0.02 0.00 0.00 176.35 176.01 2qky s LYS 56 N -0.72 3.79 0.44 1.70 1.02 -1.26 -5.09 119.74 119.61 2qky s LYS 56 Ca 0.54 0.36 0.03 0.00 0.02 0.00 0.00 55.97 56.92 2qky s LYS 56 Cb -0.38 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 2qky s LYS 56 CO 0.43 0.12 0.04 -0.51 -0.92 0.00 0.00 175.35 174.51 2qky s LEU 57 N -3.45 2.34 -0.33 3.17 1.02 -1.26 -4.90 118.68 115.27 2qky s LEU 57 Ca 0.49 -1.56 0.17 0.00 0.02 0.00 0.00 54.13 53.25 2qky s LEU 57 Cb -0.11 -0.59 0.45 0.00 0.02 0.00 0.00 46.19 45.97 2qky s LEU 57 CO 0.27 -0.75 1.02 0.00 0.02 0.00 0.00 176.35 176.91 2qky n TYR 58 N -1.05 0.56 -1.68 0.29 9.36 -1.26 -5.01 117.16 118.38 2qky n TYR 58 Ca -0.11 -2.63 -0.45 0.00 3.32 0.00 0.00 57.90 58.03 2qky n TYR 58 Cb 0.66 -0.05 -0.04 0.00 -0.63 0.00 0.00 39.34 39.29 2qky n TYR 58 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2qky n SER 59 N -0.17 3.19 -4.30 2.98 7.64 -1.26 -4.96 113.62 116.73 2qky n SER 59 Ca 0.07 1.09 -0.16 0.00 1.01 0.00 0.00 58.87 60.88 2qky n SER 59 Cb 0.82 -1.45 -0.10 0.00 -1.01 0.00 0.00 64.21 62.47 2qky n SER 59 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2qky s LEU 60 N 0.78 1.74 -0.21 -3.43 0.05 -1.26 -4.52 118.68 111.83 2qky s LEU 60 Ca 0.76 -1.34 -0.03 0.00 0.05 0.00 0.00 54.13 53.58 2qky s LEU 60 Cb -0.65 -0.00 0.07 0.00 -2.05 0.00 0.00 46.19 43.56 2qky s LEU 60 CO 0.39 -0.69 0.05 -0.13 -0.55 0.00 0.00 176.35 175.41 2qky s ARG 61 N -4.01 0.66 0.15 1.48 0.52 -0.91 -4.91 118.95 111.93 2qky s ARG 61 Ca 0.35 -0.52 -0.31 0.00 -0.52 0.00 0.00 55.73 54.72 2qky s ARG 61 Cb 0.07 -2.07 -0.10 0.00 0.52 0.00 0.00 34.95 33.38 2qky s ARG 61 CO 0.12 -0.70 1.59 -1.58 0.02 0.00 0.00 175.30 174.74 2qky s TRP 62 N 1.83 2.96 0.00 -0.53 0.52 -1.26 -0.11 118.94 122.35 2qky s TRP 62 Ca 0.01 0.57 0.00 0.00 0.02 0.00 0.00 56.10 56.69 2qky s TRP 62 Cb -0.17 -3.94 0.00 0.00 -1.15 0.00 0.00 33.47 28.21 2qky s TRP 62 CO -0.11 -3.53 0.00 0.44 0.02 0.00 0.00 176.95 173.77 2qky n ILE 63 N 4.09 0.00 -3.00 2.03 -5.35 0.87 -4.93 119.36 113.07 2qky n ILE 63 Ca 0.14 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 2qky n ILE 63 Cb 0.39 0.81 0.00 0.00 -1.74 0.00 0.00 39.64 39.10 2qky n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2qky n SER 64 N -1.12 0.00 -0.32 7.28 3.41 -1.18 -4.97 113.62 116.72 2qky n SER 64 Ca 0.00 -0.57 0.15 0.00 -0.26 0.00 0.00 58.87 58.19 2qky n SER 64 Cb 0.00 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 64.62 2qky n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2qky n ASP 65 N -1.06 1.00 0.00 4.04 2.03 -1.26 -3.23 116.55 118.07 2qky n ASP 65 Ca 0.00 -1.34 0.00 0.00 0.52 0.00 0.00 54.79 53.97 2qky n ASP 65 Cb 0.00 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2qky n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qky n HIS 66 N -0.22 0.00 -4.03 -0.67 1.44 -1.26 -4.58 115.22 105.89 2qky n HIS 66 Ca 0.21 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.79 2qky n HIS 66 Cb 0.27 0.04 -0.12 0.00 0.12 0.00 0.00 29.99 30.30 2qky n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2qky s GLU 67 N 0.00 0.37 0.03 -1.40 2.02 -1.26 -2.27 118.70 116.18 2qky s GLU 67 Ca 0.00 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 54.53 2qky s GLU 67 Cb 0.00 -0.17 -0.02 0.00 0.10 0.00 0.00 34.13 34.03 2qky s GLU 67 CO 0.00 0.03 -0.04 1.52 0.02 0.00 0.00 175.26 176.79 2qky s TYR 68 N -0.89 0.41 -0.33 1.61 -0.85 -1.20 -0.09 117.35 116.01 2qky s TYR 68 Ca -0.07 -0.56 -0.13 0.00 -0.52 0.00 0.00 57.07 55.79 2qky s TYR 68 Cb -0.07 -0.27 -0.02 0.00 0.38 0.00 0.00 41.96 41.98 2qky s TYR 68 CO -0.00 -0.17 0.27 -0.51 -1.52 0.00 0.00 175.55 173.62 2qky s LEU 69 N -1.60 4.43 -0.22 -3.49 1.43 0.85 -0.34 118.68 119.73 2qky s LEU 69 Ca -0.13 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.63 2qky s LEU 69 Cb -0.09 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 2qky s LEU 69 CO -0.01 -0.24 -0.04 -0.47 0.23 0.00 0.00 176.35 175.82 2qky s TYR 70 N 1.82 2.96 -0.43 0.29 5.04 -0.61 -2.14 117.35 124.29 2qky s TYR 70 Ca 0.08 -0.89 -0.28 0.00 -2.44 0.00 0.00 57.07 53.54 2qky s TYR 70 Cb -0.17 -2.11 0.00 0.00 0.35 0.00 0.00 41.96 40.04 2qky s TYR 70 CO 0.11 -0.52 1.51 0.21 -1.34 0.00 0.00 175.55 175.52 2qky s LYS 71 N 1.45 3.44 -0.22 4.97 2.20 -1.26 -1.84 119.74 128.49 2qky s LYS 71 Ca 0.05 0.95 -0.00 0.00 -0.36 0.00 0.00 55.97 56.61 2qky s LYS 71 Cb -0.14 -4.09 0.06 0.00 -1.51 0.00 0.00 37.83 32.15 2qky s LYS 71 CO -0.03 -1.73 -0.03 -1.14 -0.36 0.00 0.00 175.35 172.06 2qky s GLN 72 N 5.26 1.37 -0.85 4.03 0.74 0.27 -4.80 119.66 125.68 2qky s GLN 72 Ca 0.64 -0.84 -0.03 0.00 0.05 0.00 0.00 55.36 55.18 2qky s GLN 72 Cb -0.15 -2.47 -0.02 0.00 1.10 0.00 0.00 33.01 31.47 2qky s GLN 72 CO 0.31 -0.61 0.77 0.39 -0.55 0.00 0.00 175.29 175.60 2qky n GLU 73 N 4.77 -1.61 -0.30 1.67 1.02 -1.26 -1.91 120.64 123.03 2qky n GLU 73 Ca -0.11 1.25 0.00 0.00 -0.02 0.00 0.00 57.16 58.27 2qky n GLU 73 Cb 0.45 -5.61 0.00 0.00 -0.02 0.00 0.00 31.44 26.26 2qky n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2qky n ASN 74 N -2.27 0.00 -4.65 1.62 3.02 -1.26 -4.73 115.26 106.99 2qky n ASN 74 Ca -0.04 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.17 2qky n ASN 74 Cb 0.55 -0.48 -0.10 0.00 -0.61 0.00 0.00 39.78 39.14 2qky n ASN 74 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2qky s ASN 75 N -0.30 5.58 -0.26 6.41 0.01 -0.80 -2.96 114.94 122.62 2qky s ASN 75 Ca 0.00 0.10 -0.14 0.00 -0.71 0.00 0.00 52.86 52.11 2qky s ASN 75 Cb 0.00 -1.91 -0.04 0.00 0.41 0.00 0.00 41.25 39.71 2qky s ASN 75 CO 0.00 0.21 0.33 -0.63 -1.51 0.00 0.00 177.10 175.50 2qky s ILE 76 N 0.14 5.21 0.19 0.60 1.01 -0.67 0.97 121.20 128.66 2qky s ILE 76 Ca 0.04 0.50 0.05 0.00 0.00 0.00 0.00 60.65 61.24 2qky s ILE 76 Cb -0.12 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 2qky s ILE 76 CO 0.01 0.20 0.20 -0.76 0.00 0.00 0.00 174.94 174.59 2qky s LEU 77 N 1.85 3.96 -0.03 2.97 1.43 -0.76 0.23 118.68 128.33 2qky s LEU 77 Ca 0.14 -0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.20 2qky s LEU 77 Cb -0.15 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 2qky s LEU 77 CO 0.09 0.02 -0.17 0.54 0.23 0.00 0.00 176.35 177.07 2qky s VAL 78 N -1.88 2.86 0.14 -1.59 0.11 -0.94 -1.57 120.40 117.53 2qky s VAL 78 Ca 0.32 -0.85 0.10 0.00 -2.93 0.00 0.00 61.98 58.63 2qky s VAL 78 Cb -0.10 -2.11 -0.04 0.00 -1.53 0.00 0.00 36.38 32.60 2qky s VAL 78 CO 0.25 0.56 -0.20 -0.36 -3.33 0.00 0.00 175.10 172.03 2qky s PHE 79 N -0.74 2.47 -0.61 1.54 0.08 0.54 -1.33 117.98 119.93 2qky s PHE 79 Ca 0.12 -0.29 -0.11 0.00 0.12 0.00 0.00 56.93 56.76 2qky s PHE 79 Cb -0.10 -1.29 0.16 0.00 -0.57 0.00 0.00 43.02 41.21 2qky s PHE 79 CO 0.01 0.41 0.51 1.21 -0.10 0.00 0.00 175.22 177.26 2qky s ASN 80 N -2.29 6.06 0.22 1.36 3.84 -0.17 -3.20 114.94 120.76 2qky s ASN 80 Ca 0.18 -2.22 -0.17 0.00 0.21 0.00 0.00 52.86 50.86 2qky s ASN 80 Cb -0.10 -2.10 0.23 0.00 -0.55 0.00 0.00 41.25 38.74 2qky s ASN 80 CO 0.10 -0.66 1.51 0.00 -2.79 0.00 0.00 177.10 175.26 2qky n ALA 81 N 4.55 -0.12 0.11 1.71 0.00 -0.96 0.30 120.51 126.09 2qky n ALA 81 Ca -0.01 0.97 -0.07 0.00 0.00 0.00 0.00 53.44 54.32 2qky n ALA 81 Cb 0.42 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 2qky n ALA 81 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2qky h GLU 82 N 0.00 -0.38 0.12 0.00 4.57 -1.94 -3.33 114.58 113.62 2qky h GLU 82 Ca 0.34 0.03 -0.32 0.00 -1.18 0.00 0.00 59.36 58.23 2qky h GLU 82 Cb 0.58 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 2qky h GLU 82 CO -0.97 -0.25 -1.64 1.88 -1.18 0.00 0.00 179.01 176.85 2qky h TYR 83 N -0.39 0.46 0.00 0.92 -1.99 -1.93 -3.49 116.97 110.55 2qky h TYR 83 Ca -0.02 -0.34 0.00 0.00 2.00 0.00 0.00 58.73 60.37 2qky h TYR 83 Cb 0.35 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.06 2qky h TYR 83 CO -0.17 1.45 0.00 0.41 -0.00 0.00 0.00 178.16 179.85 2qky n GLY 84 N 1.73 0.86 3.79 3.88 0.00 0.86 -5.03 105.19 111.28 2qky n GLY 84 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2qky n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qky s ASN 85 N -2.10 5.41 0.25 1.61 4.22 -1.25 -4.64 114.94 118.45 2qky s ASN 85 Ca 0.00 1.87 0.04 0.00 -2.14 0.00 0.00 52.86 52.63 2qky s ASN 85 Cb 0.00 -2.54 -0.05 0.00 1.28 0.00 0.00 41.25 39.94 2qky s ASN 85 CO 0.00 -1.42 0.00 -0.94 -2.04 0.00 0.00 177.10 172.70 2qky s SER 86 N -2.83 2.02 0.30 3.54 1.04 -1.26 -1.00 113.70 115.52 2qky s SER 86 Ca 0.64 -1.25 0.04 0.00 0.48 0.00 0.00 55.95 55.87 2qky s SER 86 Cb -0.18 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 65.90 2qky s SER 86 CO 0.41 -0.51 0.31 -1.20 0.98 0.00 0.00 173.24 173.23 2qky n SER 87 N -0.49 -0.82 -4.58 7.02 7.64 -0.44 -4.95 113.62 117.01 2qky n SER 87 Ca -0.04 -2.88 -0.38 0.00 1.01 0.00 0.00 58.87 56.58 2qky n SER 87 Cb 0.64 1.74 -0.11 0.00 -1.01 0.00 0.00 64.21 65.47 2qky n SER 87 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2qky s VAL 88 N -3.07 5.18 -0.10 0.44 1.01 -1.26 -2.22 120.40 120.38 2qky s VAL 88 Ca 0.33 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 2qky s VAL 88 Cb 0.01 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 2qky s VAL 88 CO 0.23 0.28 -0.07 0.15 0.00 0.00 0.00 175.10 175.68 2qky h PHE 89 N 8.23 0.00 -4.03 5.22 3.04 0.27 -3.46 116.94 126.21 2qky h PHE 89 Ca -0.36 0.00 -0.69 0.00 3.98 0.00 0.00 57.97 60.90 2qky h PHE 89 Cb 1.19 0.00 -0.23 0.00 2.56 0.00 0.00 35.95 39.47 2qky h PHE 89 CO 0.74 0.00 -0.83 -1.17 -2.02 0.00 0.00 178.31 175.02 2qky s LEU 90 N -7.58 2.46 -0.28 0.59 2.96 -0.58 -4.98 118.68 111.26 2qky s LEU 90 Ca -0.06 -0.53 -0.19 0.00 -0.22 0.00 0.00 54.13 53.13 2qky s LEU 90 Cb 0.01 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 2qky s LEU 90 CO 0.09 0.24 0.56 -1.61 -1.32 0.00 0.00 176.35 174.31 2qky s GLU 91 N -1.54 4.01 0.28 1.98 0.41 -1.26 -1.66 118.70 120.92 2qky s GLU 91 Ca 0.14 0.33 0.17 0.00 -0.41 0.00 0.00 54.97 55.19 2qky s GLU 91 Cb -0.10 -3.68 1.03 0.00 -1.78 0.00 0.00 34.13 29.60 2qky s GLU 91 CO 0.05 -0.43 1.20 0.27 -0.49 0.00 0.00 175.26 175.86 2qky n ASN 92 N 5.66 0.26 -0.05 -0.19 6.94 -1.16 0.14 115.26 126.87 2qky n ASN 92 Ca -0.03 1.25 0.13 0.00 -0.02 0.00 0.00 54.58 55.92 2qky n ASN 92 Cb 0.49 -0.61 0.48 0.00 -2.36 0.00 0.00 39.78 37.78 2qky n ASN 92 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2qky n SER 93 N -4.69 0.38 -0.15 0.53 3.41 -1.26 -4.48 113.62 107.36 2qky n SER 93 Ca 0.29 -0.17 -0.06 0.00 -0.26 0.00 0.00 58.87 58.67 2qky n SER 93 Cb 0.99 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 2qky n SER 93 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2qky h THR 94 N 0.25 0.24 -0.68 6.66 2.02 0.85 0.13 112.91 122.37 2qky h THR 94 Ca 0.00 0.00 -0.45 0.00 0.77 0.00 0.00 66.41 66.73 2qky h THR 94 Cb 0.46 0.24 -0.20 0.00 -1.74 0.00 0.00 68.15 66.90 2qky h THR 94 CO 0.00 0.00 0.58 0.49 0.37 0.00 0.00 175.52 176.96 2qky n PHE 95 N -5.42 2.20 0.33 3.16 3.72 -1.26 -4.50 117.46 115.69 2qky n PHE 95 Ca 0.03 -2.28 0.14 0.00 -0.05 0.00 0.00 57.45 55.28 2qky n PHE 95 Cb 0.34 -1.11 0.60 0.00 -0.94 0.00 0.00 39.48 38.37 2qky n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2qky h ASP 96 N 1.57 0.00 0.00 4.37 5.19 -1.24 -2.92 116.42 123.39 2qky h ASP 96 Ca 0.42 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.83 2qky h ASP 96 Cb 1.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.54 2qky h ASP 96 CO 1.05 0.00 -0.23 -0.62 -3.12 0.00 0.00 179.24 176.32 2qky n GLU 97 N -2.50 0.61 -0.31 3.56 1.02 -1.26 -4.78 120.64 116.98 2qky n GLU 97 Ca 0.01 -1.35 0.09 0.00 -0.02 0.00 0.00 57.16 55.90 2qky n GLU 97 Cb 0.21 -0.80 0.31 0.00 -0.02 0.00 0.00 31.44 31.15 2qky n GLU 97 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2qky h PHE 98 N 0.00 0.97 0.00 -0.32 3.57 -1.82 -3.47 116.94 115.87 2qky h PHE 98 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2qky h PHE 98 Cb 1.14 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.57 2qky h PHE 98 CO 0.05 0.38 0.00 0.41 -2.23 0.00 0.00 178.31 176.92 2qky n GLY 99 N -1.39 2.22 3.72 2.40 0.00 -1.26 -5.06 105.19 105.82 2qky n GLY 99 Ca 0.18 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 2qky n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qky s HIS 100 N 0.00 2.09 -0.78 1.61 3.76 -1.26 -4.96 115.29 115.75 2qky s HIS 100 Ca 0.00 1.68 -0.20 0.00 -0.15 0.00 0.00 55.06 56.39 2qky s HIS 100 Cb 0.00 -3.21 0.11 0.00 1.11 0.00 0.00 32.58 30.59 2qky s HIS 100 CO 0.00 -2.32 0.98 0.45 -0.85 0.00 0.00 174.74 173.00 2qky s SER 101 N -2.98 6.41 -0.04 1.40 0.15 -1.26 -5.00 113.70 112.39 2qky s SER 101 Ca 0.64 -1.63 -0.38 0.00 0.70 0.00 0.00 55.95 55.29 2qky s SER 101 Cb -0.20 -2.38 -0.16 0.00 -1.71 0.00 0.00 66.02 61.57 2qky s SER 101 CO 0.56 -1.17 1.52 -0.38 1.20 0.00 0.00 173.24 174.96 2qky n ILE 102 N 5.58 0.13 -0.04 6.45 5.41 -1.26 -4.49 119.36 131.14 2qky n ILE 102 Ca 0.09 -0.02 -0.11 0.00 1.00 0.00 0.00 62.75 63.70 2qky n ILE 102 Cb 0.47 -1.05 -0.14 0.00 -0.71 0.00 0.00 39.64 38.21 2qky n ILE 102 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2qky n ASN 103 N 3.73 0.91 -3.65 4.38 5.15 0.21 -4.96 115.26 121.02 2qky n ASN 103 Ca 0.21 0.29 -0.00 0.00 -0.60 0.00 0.00 54.58 54.48 2qky n ASN 103 Cb 0.18 0.03 -0.01 0.00 -0.53 0.00 0.00 39.78 39.45 2qky n ASN 103 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2qky s ASP 104 N -6.11 -0.09 0.00 1.20 2.15 -0.87 -5.02 116.67 107.92 2qky s ASP 104 Ca -0.09 -0.20 0.00 0.00 0.43 0.00 0.00 52.55 52.69 2qky s ASP 104 Cb 0.07 0.25 0.00 0.00 -0.30 0.00 0.00 42.92 42.94 2qky s ASP 104 CO 0.81 -0.46 0.00 0.00 -0.17 0.00 0.00 175.17 175.35 2qky n TYR 105 N -0.47 0.00 0.00 -5.34 4.11 -1.26 -0.24 117.16 113.97 2qky n TYR 105 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.82 2qky n TYR 105 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.96 2qky n TYR 105 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2qky n SER 106 N 0.00 0.00 -4.76 9.48 2.88 -0.91 -4.86 113.62 115.45 2qky n SER 106 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 2qky n SER 106 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 2qky n SER 106 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2qky s ILE 107 N 0.00 2.13 0.46 2.46 1.09 -1.26 -2.07 121.20 124.01 2qky s ILE 107 Ca 0.00 0.11 -0.22 0.00 -1.10 0.00 0.00 60.65 59.44 2qky s ILE 107 Cb 0.00 -3.06 -0.08 0.00 -1.06 0.00 0.00 42.46 38.26 2qky s ILE 107 CO 0.00 0.01 1.11 -0.55 -0.10 0.00 0.00 174.94 175.41 2qky s SER 108 N -0.69 6.28 0.40 3.58 0.15 0.35 -4.91 113.70 118.87 2qky s SER 108 Ca 0.64 2.15 0.28 0.00 0.70 0.00 0.00 55.95 59.72 2qky s SER 108 Cb -0.42 -2.59 1.39 0.00 -1.71 0.00 0.00 66.02 62.69 2qky s SER 108 CO 0.53 -0.83 1.49 -2.65 1.20 0.00 0.00 173.24 172.98 2qky n PRO 109 N -0.59 -0.04 -0.24 5.44 -0.02 -1.23 0.10 135.00 138.41 2qky n PRO 109 Ca 0.08 1.22 0.07 0.00 -2.02 0.00 0.00 63.50 62.86 2qky n PRO 109 Cb 0.50 -2.36 0.20 0.00 -0.02 0.00 0.00 33.50 31.82 2qky n PRO 109 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2qky n ASP 110 N -4.75 2.48 -3.80 2.55 3.85 -1.01 -4.82 116.55 111.05 2qky n ASP 110 Ca 0.38 -2.01 -0.23 0.00 -0.71 0.00 0.00 54.79 52.22 2qky n ASP 110 Cb 1.43 -0.31 0.02 0.00 -1.35 0.00 0.00 41.12 40.90 2qky n ASP 110 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2qky n GLY 111 N 1.22 -0.28 0.00 6.12 0.00 0.11 -4.86 105.19 107.50 2qky n GLY 111 Ca 0.15 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2qky n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qky n GLN 112 N -4.34 1.55 -4.02 1.61 6.02 -1.26 -4.89 117.38 112.06 2qky n GLN 112 Ca -0.28 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.63 2qky n GLN 112 Cb 0.67 -0.97 -0.09 0.00 1.02 0.00 0.00 30.24 30.87 2qky n GLN 112 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2qky s PHE 113 N -1.89 0.40 -0.04 1.08 0.08 -1.26 -2.25 117.98 114.09 2qky s PHE 113 Ca 0.00 -0.89 0.01 0.00 0.12 0.00 0.00 56.93 56.17 2qky s PHE 113 Cb 0.00 -0.28 0.02 0.00 -0.57 0.00 0.00 43.02 42.19 2qky s PHE 113 CO 0.00 -0.42 -0.04 -1.50 -0.10 0.00 0.00 175.22 173.16 2qky s ILE 114 N -3.74 0.48 -0.05 0.64 2.07 -1.01 -0.49 121.20 119.09 2qky s ILE 114 Ca 0.05 -0.11 -0.24 0.00 -1.41 0.00 0.00 60.65 58.94 2qky s ILE 114 Cb 0.06 -0.50 -0.04 0.00 0.13 0.00 0.00 42.46 42.11 2qky s ILE 114 CO -0.10 0.20 0.73 -0.22 -1.91 0.00 0.00 174.94 173.65 2qky s LEU 115 N 0.79 4.34 -0.25 8.50 2.96 -0.88 -1.72 118.68 132.41 2qky s LEU 115 Ca -0.10 1.26 -0.04 0.00 -0.22 0.00 0.00 54.13 55.03 2qky s LEU 115 Cb -0.13 -3.14 0.01 0.00 0.50 0.00 0.00 46.19 43.43 2qky s LEU 115 CO 0.00 -0.11 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.14 2qky s LEU 116 N 0.71 3.28 -0.35 -0.68 1.43 0.11 -2.13 118.68 121.04 2qky s LEU 116 Ca 0.39 -0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 52.71 2qky s LEU 116 Cb -0.18 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.31 2qky s LEU 116 CO 0.20 -0.11 0.17 -0.70 0.23 0.00 0.00 176.35 176.14 2qky s GLU 117 N 1.42 2.93 0.02 1.70 2.12 0.67 -0.91 118.70 126.65 2qky s GLU 117 Ca 0.03 -1.00 0.00 0.00 0.36 0.00 0.00 54.97 54.36 2qky s GLU 117 Cb -0.16 -3.64 -0.00 0.00 0.26 0.00 0.00 34.13 30.59 2qky s GLU 117 CO -0.02 -0.62 0.00 2.48 -0.54 0.00 0.00 175.26 176.56 2qky n TYR 118 N 4.96 0.02 -3.84 5.30 4.11 -0.54 0.64 117.16 127.81 2qky n TYR 118 Ca -0.12 -0.09 -0.25 0.00 -0.00 0.00 0.00 57.90 57.44 2qky n TYR 118 Cb 0.47 -0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.81 2qky n TYR 118 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 2qky n ASN 119 N -1.68 -1.68 -4.77 9.48 3.02 -1.26 0.29 115.26 118.66 2qky n ASN 119 Ca -0.00 -0.88 -0.38 0.00 -0.03 0.00 0.00 54.58 53.29 2qky n ASN 119 Cb 0.02 -3.66 -0.03 0.00 -0.61 0.00 0.00 39.78 35.50 2qky n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2qky s TYR 120 N -3.67 3.21 -0.23 3.10 5.04 -1.26 -3.34 117.35 120.20 2qky s TYR 120 Ca 0.16 1.61 -0.10 0.00 -2.44 0.00 0.00 57.07 56.31 2qky s TYR 120 Cb -0.08 -3.26 0.09 0.00 0.35 0.00 0.00 41.96 39.06 2qky s TYR 120 CO 0.84 -0.93 0.53 0.08 -1.34 0.00 0.00 175.55 174.73 2qky s VAL 121 N -1.50 -0.55 0.59 3.14 1.01 0.35 -4.94 120.40 118.51 2qky s VAL 121 Ca 0.56 0.08 -0.15 0.00 0.00 0.00 0.00 61.98 62.47 2qky s VAL 121 Cb -0.27 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 2qky s VAL 121 CO 0.34 0.03 1.05 -0.75 0.00 0.00 0.00 175.10 175.77 2qky s LYS 122 N 2.34 3.33 0.00 2.72 2.20 -1.26 -1.34 119.74 127.73 2qky s LYS 122 Ca -0.06 1.18 0.00 0.00 -0.36 0.00 0.00 55.97 56.73 2qky s LYS 122 Cb -0.10 -2.04 0.00 0.00 -1.51 0.00 0.00 37.83 34.18 2qky s LYS 122 CO -0.16 -0.80 0.00 0.94 -0.36 0.00 0.00 175.35 174.98 2qky n GLN 123 N -2.07 0.00 0.00 4.03 7.27 -0.94 -4.82 117.38 120.85 2qky n GLN 123 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.16 2qky n GLN 123 Cb 0.53 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.18 2qky n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 2qky n TRP 124 N 0.00 0.00 0.03 3.69 5.03 -1.24 -4.95 117.44 120.00 2qky n TRP 124 Ca 0.00 0.00 -0.05 0.00 3.03 0.00 0.00 57.50 60.48 2qky n TRP 124 Cb 0.00 0.00 0.16 0.00 -1.03 0.00 0.00 31.31 30.44 2qky n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 2qky h ARG 125 N 0.00 0.43 0.00 -0.99 9.65 -1.98 -3.39 114.38 118.10 2qky h ARG 125 Ca 0.00 -0.21 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 2qky h ARG 125 Cb 0.00 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2qky h ARG 125 CO 0.00 0.75 -0.81 0.72 2.80 0.00 0.00 179.97 183.44 2qky n HIS 126 N -4.04 0.00 -1.17 2.20 8.25 -1.26 -5.08 115.22 114.12 2qky n HIS 126 Ca -0.01 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.15 2qky n HIS 126 Cb 0.49 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.74 2qky n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2qky s SER 127 N -2.91 3.42 0.00 0.41 1.04 -1.26 -4.72 113.70 109.68 2qky s SER 127 Ca 0.00 1.52 0.00 0.00 0.48 0.00 0.00 55.95 57.95 2qky s SER 127 Cb 0.00 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 63.92 2qky s SER 127 CO 0.00 -2.68 0.00 0.00 0.98 0.00 0.00 173.24 171.54 2qky n TYR 128 N -3.91 0.00 -4.46 5.02 0.18 -1.26 -2.21 117.16 110.52 2qky n TYR 128 Ca 0.07 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.62 2qky n TYR 128 Cb 0.55 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.38 2qky n TYR 128 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2qky s THR 129 N -2.00 1.47 0.28 -3.48 -4.23 -0.45 -4.52 115.64 102.71 2qky s THR 129 Ca 0.00 -1.21 -0.15 0.00 -1.18 0.00 0.00 61.69 59.16 2qky s THR 129 Cb 0.00 -1.31 0.01 0.00 1.34 0.00 0.00 72.50 72.54 2qky s THR 129 CO 0.00 0.07 0.58 0.00 -0.54 0.00 0.00 174.62 174.73 2qky s ALA 130 N -0.91 -0.49 0.27 3.99 0.00 -1.16 -0.50 121.76 122.96 2qky s ALA 130 Ca 0.05 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.32 2qky s ALA 130 Cb -0.09 0.98 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 2qky s ALA 130 CO 0.02 -0.92 0.30 -1.12 0.00 0.00 0.00 175.76 174.04 2qky s SER 131 N -3.01 5.76 -0.03 0.00 0.01 0.15 -2.29 113.70 114.28 2qky s SER 131 Ca 0.19 -0.20 -0.04 0.00 1.31 0.00 0.00 55.95 57.21 2qky s SER 131 Cb -0.03 -1.43 0.01 0.00 0.21 0.00 0.00 66.02 64.78 2qky s SER 131 CO 0.10 -0.16 0.10 -0.31 0.41 0.00 0.00 173.24 173.38 2qky s TYR 132 N -2.13 -0.05 0.14 2.43 1.51 -1.26 -1.47 117.35 116.52 2qky s TYR 132 Ca 0.36 0.14 0.07 0.00 -1.01 0.00 0.00 57.07 56.63 2qky s TYR 132 Cb -0.08 0.00 -0.04 0.00 -0.11 0.00 0.00 41.96 41.73 2qky s TYR 132 CO 0.27 -0.10 -0.16 -0.51 -1.11 0.00 0.00 175.55 173.93 2qky s ASP 133 N -0.32 2.34 -0.26 2.29 1.01 -0.09 -4.51 116.67 117.13 2qky s ASP 133 Ca -0.04 -0.83 0.03 0.00 0.71 0.00 0.00 52.55 52.42 2qky s ASP 133 Cb -0.03 -0.11 0.06 0.00 1.01 0.00 0.00 42.92 43.85 2qky s ASP 133 CO 0.00 -0.09 -0.10 -0.63 0.21 0.00 0.00 175.17 174.57 2qky s ILE 134 N -2.06 2.05 -0.24 0.77 1.01 -1.26 0.04 121.20 121.52 2qky s ILE 134 Ca 0.12 -1.57 -0.19 0.00 0.00 0.00 0.00 60.65 59.01 2qky s ILE 134 Cb -0.05 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 2qky s ILE 134 CO 0.05 -0.05 0.55 -0.47 0.00 0.00 0.00 174.94 175.02 2qky s TYR 135 N 1.15 3.31 -0.39 3.97 5.04 -0.70 -1.44 117.35 128.29 2qky s TYR 135 Ca -0.08 0.75 -0.29 0.00 -2.44 0.00 0.00 57.07 55.01 2qky s TYR 135 Cb -0.20 -2.74 0.01 0.00 0.35 0.00 0.00 41.96 39.38 2qky s TYR 135 CO -0.05 -0.23 1.38 0.34 -1.34 0.00 0.00 175.55 175.65 2qky s ASP 136 N 1.38 6.43 0.03 4.32 -1.08 0.58 -2.42 116.67 125.91 2qky s ASP 136 Ca 0.24 0.91 -0.27 0.00 -0.52 0.00 0.00 52.55 52.91 2qky s ASP 136 Cb -0.16 -2.54 -0.17 0.00 -1.46 0.00 0.00 42.92 38.59 2qky s ASP 136 CO 0.09 -1.34 1.39 -0.07 0.52 0.00 0.00 175.17 175.76 2qky h LEU 137 N 11.85 -0.42 0.67 -1.34 3.38 -1.72 -1.21 115.31 126.52 2qky h LEU 137 Ca -0.27 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 2qky h LEU 137 Cb 1.10 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2qky h LEU 137 CO 1.08 -0.14 -0.41 0.78 0.09 0.00 0.00 178.44 179.84 2qky h ASN 138 N -0.71 -1.02 0.00 -0.43 2.35 -1.91 -2.11 115.58 111.75 2qky h ASN 138 Ca -0.05 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2qky h ASN 138 Cb 0.50 0.30 0.00 0.00 0.05 0.00 0.00 38.32 39.16 2qky h ASN 138 CO 0.08 -0.63 0.00 2.29 -1.65 0.00 0.00 177.43 177.53 2qky n LYS 139 N -4.97 0.83 -3.67 0.81 2.85 -1.25 -4.88 118.16 107.86 2qky n LYS 139 Ca -0.12 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 56.95 2qky n LYS 139 Cb 0.42 -1.37 -0.01 0.00 -0.65 0.00 0.00 35.03 33.41 2qky n LYS 139 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qky n ARG 140 N 0.03 -0.79 -2.34 -1.58 5.12 -0.68 -4.90 116.66 111.52 2qky n ARG 140 Ca 0.00 -0.16 -0.03 0.00 -1.93 0.00 0.00 57.85 55.73 2qky n ARG 140 Cb 0.19 -0.93 -0.01 0.00 -1.16 0.00 0.00 32.46 30.55 2qky n ARG 140 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2qky n GLN 141 N -2.71 0.20 -3.70 5.56 1.13 -0.54 -4.99 117.38 112.34 2qky n GLN 141 Ca -0.08 -0.50 -0.30 0.00 -1.94 0.00 0.00 57.00 54.18 2qky n GLN 141 Cb 0.27 0.39 -0.13 0.00 0.11 0.00 0.00 30.24 30.87 2qky n GLN 141 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2qky s LEU 142 N 0.00 2.43 -0.58 1.08 2.96 -1.26 -0.31 118.68 123.00 2qky s LEU 142 Ca 0.05 -2.33 -0.22 0.00 -0.22 0.00 0.00 54.13 51.41 2qky s LEU 142 Cb 0.00 -0.94 -0.14 0.00 0.50 0.00 0.00 46.19 45.62 2qky s LEU 142 CO 0.04 -0.31 1.69 -0.38 -1.32 0.00 0.00 176.35 176.07 2qky n ILE 143 N 3.93 0.00 0.01 6.68 5.41 -0.52 -4.82 119.36 130.04 2qky n ILE 143 Ca 0.06 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.81 2qky n ILE 143 Cb 0.37 -0.33 -0.10 0.00 -0.71 0.00 0.00 39.64 38.87 2qky n ILE 143 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2qky n THR 144 N 4.77 1.13 -3.62 1.39 -2.24 -1.26 -4.56 114.28 109.89 2qky n THR 144 Ca 0.42 -0.70 -0.36 0.00 -2.27 0.00 0.00 64.05 61.14 2qky n THR 144 Cb 0.01 -0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 67.53 2qky n THR 144 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2qky s GLU 145 N -2.91 3.74 -0.75 -0.78 -1.05 -1.26 -4.52 118.70 111.17 2qky s GLU 145 Ca -0.04 0.16 -0.02 0.00 -0.15 0.00 0.00 54.97 54.92 2qky s GLU 145 Cb 0.09 -3.10 0.00 0.00 -0.44 0.00 0.00 34.13 30.68 2qky s GLU 145 CO 0.82 0.64 0.66 0.39 0.95 0.00 0.00 175.26 178.72 2qky n GLU 146 N 1.33 -1.48 -4.35 -4.83 -0.58 -1.26 -4.59 120.64 104.89 2qky n GLU 146 Ca -0.12 1.25 -0.24 0.00 -0.42 0.00 0.00 57.16 57.63 2qky n GLU 146 Cb 0.53 -4.34 -0.09 0.00 -0.57 0.00 0.00 31.44 26.97 2qky n GLU 146 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2qky s ARG 147 N -3.69 2.03 0.23 3.49 1.70 -1.26 -4.60 118.95 116.86 2qky s ARG 147 Ca 0.03 -1.49 -0.31 0.00 -0.47 0.00 0.00 55.73 53.49 2qky s ARG 147 Cb -0.01 -2.03 -0.15 0.00 -0.57 0.00 0.00 34.95 32.19 2qky s ARG 147 CO 0.81 0.37 1.15 -0.89 -1.08 0.00 0.00 175.30 175.66 2qky n ILE 148 N -0.56 1.34 -0.36 4.99 -0.00 -1.26 -4.96 119.36 118.54 2qky n ILE 148 Ca -0.07 -0.33 -0.17 0.00 -0.00 0.00 0.00 62.75 62.17 2qky n ILE 148 Cb 0.58 -1.02 0.16 0.00 -0.00 0.00 0.00 39.64 39.36 2qky n ILE 148 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 2qky n PRO 149 N 1.39 -3.19 -3.99 0.38 -0.02 -1.26 -4.77 135.00 123.54 2qky n PRO 149 Ca 0.12 -0.90 -0.24 0.00 -2.02 0.00 0.00 63.50 60.47 2qky n PRO 149 Cb 0.29 -1.04 -0.03 0.00 -0.02 0.00 0.00 33.50 32.70 2qky n PRO 149 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2qky s ASN 150 N -2.83 6.16 -0.97 2.55 0.01 -1.26 -4.51 114.94 114.09 2qky s ASN 150 Ca 0.39 0.06 -0.02 0.00 -0.71 0.00 0.00 52.86 52.58 2qky s ASN 150 Cb -0.06 -1.79 -0.03 0.00 0.41 0.00 0.00 41.25 39.79 2qky s ASN 150 CO 0.32 -0.00 0.82 0.59 -1.51 0.00 0.00 177.10 177.32 2qky n ASN 151 N -0.94 -3.70 -4.78 -1.22 3.02 -1.25 -4.96 115.26 101.43 2qky n ASN 151 Ca -0.08 -0.56 -0.39 0.00 -0.03 0.00 0.00 54.58 53.52 2qky n ASN 151 Cb 0.56 -4.48 -0.06 0.00 -0.61 0.00 0.00 39.78 35.19 2qky n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qky s THR 152 N -3.32 4.52 -0.07 3.41 2.01 -0.97 -4.68 115.64 116.54 2qky s THR 152 Ca 0.17 1.58 0.04 0.00 0.31 0.00 0.00 61.69 63.79 2qky s THR 152 Cb -0.02 -4.08 -0.24 0.00 0.01 0.00 0.00 72.50 68.16 2qky s THR 152 CO 0.63 0.50 0.55 0.00 -0.69 0.00 0.00 174.62 175.61 2qky n GLN 153 N 1.86 0.69 -3.64 4.92 6.02 -0.40 -2.98 117.38 123.84 2qky n GLN 153 Ca -0.06 0.29 -0.05 0.00 -0.01 0.00 0.00 57.00 57.17 2qky n GLN 153 Cb 0.49 -1.76 -0.07 0.00 1.02 0.00 0.00 30.24 29.92 2qky n GLN 153 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 2qky s TRP 154 N -2.58 -0.43 0.02 1.08 -0.11 -1.23 -4.54 118.94 111.14 2qky s TRP 154 Ca -0.12 0.96 0.02 0.00 1.22 0.00 0.00 56.10 58.18 2qky s TRP 154 Cb 0.07 0.35 -0.01 0.00 -1.50 0.00 0.00 33.47 32.38 2qky s TRP 154 CO 0.80 -0.21 -0.07 0.54 -4.62 0.00 0.00 176.95 173.39 2qky s VAL 155 N 0.69 0.53 -0.12 5.86 0.11 -1.26 -0.38 120.40 125.83 2qky s VAL 155 Ca -0.02 -0.67 -0.14 0.00 -2.93 0.00 0.00 61.98 58.22 2qky s VAL 155 Cb -0.04 -0.52 0.04 0.00 -1.53 0.00 0.00 36.38 34.32 2qky s VAL 155 CO -0.11 -0.12 0.38 0.28 -3.33 0.00 0.00 175.10 172.21 2qky s THR 156 N -0.75 0.01 0.51 5.04 -1.32 -0.74 -5.01 115.64 113.39 2qky s THR 156 Ca -0.03 -0.09 -0.16 0.00 -1.21 0.00 0.00 61.69 60.19 2qky s THR 156 Cb -0.06 -0.57 -0.08 0.00 -1.51 0.00 0.00 72.50 70.28 2qky s THR 156 CO 0.00 -0.05 0.98 0.26 -2.21 0.00 0.00 174.62 173.60 2qky s TRP 157 N -0.13 3.46 0.94 9.09 0.52 -1.26 -1.40 118.94 130.15 2qky s TRP 157 Ca -0.03 1.46 -0.11 0.00 0.02 0.00 0.00 56.10 57.44 2qky s TRP 157 Cb -0.03 -2.78 0.15 0.00 -1.15 0.00 0.00 33.47 29.66 2qky s TRP 157 CO 0.02 -0.37 1.10 -1.54 0.02 0.00 0.00 176.95 176.17 2qky s SER 158 N -3.09 2.95 0.53 2.95 1.04 -0.56 -4.86 113.70 112.65 2qky s SER 158 Ca 0.59 1.78 0.29 0.00 0.48 0.00 0.00 55.95 59.08 2qky s SER 158 Cb -0.10 -2.38 1.47 0.00 0.10 0.00 0.00 66.02 65.11 2qky s SER 158 CO 0.32 -3.02 2.07 1.55 0.98 0.00 0.00 173.24 175.14 2qky h PRO 159 N -1.81 0.00 -3.85 4.02 0.13 -1.84 -3.43 132.00 125.22 2qky h PRO 159 Ca -0.49 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 2qky h PRO 159 Cb 1.28 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.19 2qky h PRO 159 CO 0.49 0.11 -0.67 0.08 -0.23 0.00 0.00 178.00 177.78 2qky s VAL 160 N -4.13 0.09 0.00 1.56 1.01 -1.26 -4.76 120.40 112.90 2qky s VAL 160 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2qky s VAL 160 Cb 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.26 2qky s VAL 160 CO 0.57 -0.39 0.00 0.61 0.00 0.00 0.00 175.10 175.90 2qky n GLY 161 N 1.86 0.67 2.10 4.51 0.00 -1.26 -4.49 105.19 108.57 2qky n GLY 161 Ca -0.22 -1.14 -0.02 0.00 0.00 0.00 0.00 46.02 44.65 2qky n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2qky n HIS 162 N 6.12 -0.40 -1.74 1.61 1.44 -1.26 -2.40 115.22 118.59 2qky n HIS 162 Ca 0.00 -1.31 -0.31 0.00 -2.01 0.00 0.00 57.72 54.09 2qky n HIS 162 Cb 0.00 0.57 0.03 0.00 0.12 0.00 0.00 29.99 30.71 2qky n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2qky s LYS 163 N -0.88 3.23 -0.04 -1.40 1.02 -1.26 -4.66 119.74 115.75 2qky s LYS 163 Ca 0.16 0.80 -0.01 0.00 0.02 0.00 0.00 55.97 56.94 2qky s LYS 163 Cb 0.30 -2.03 0.03 0.00 -0.52 0.00 0.00 37.83 35.60 2qky s LYS 163 CO -0.08 -0.85 0.01 -0.51 -0.92 0.00 0.00 175.35 173.00 2qky s LEU 164 N -5.36 0.77 -0.14 3.17 1.43 -0.29 -1.49 118.68 116.77 2qky s LEU 164 Ca 0.57 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.64 2qky s LEU 164 Cb -0.12 -0.26 -0.01 0.00 0.03 0.00 0.00 46.19 45.82 2qky s LEU 164 CO 0.54 -0.16 -0.12 0.00 0.23 0.00 0.00 176.35 176.85 2qky s ALA 165 N 1.55 2.66 0.10 4.21 0.00 -0.49 -0.02 121.76 129.76 2qky s ALA 165 Ca -0.02 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2qky s ALA 165 Cb -0.13 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 2qky s ALA 165 CO -0.03 0.16 -0.04 1.52 0.00 0.00 0.00 175.76 177.37 2qky s TYR 166 N 0.49 0.87 -0.09 0.00 1.13 0.95 -1.78 117.35 118.92 2qky s TYR 166 Ca -0.08 -0.98 0.03 0.00 -1.41 0.00 0.00 57.07 54.63 2qky s TYR 166 Cb -0.16 -0.52 -0.01 0.00 -1.10 0.00 0.00 41.96 40.18 2qky s TYR 166 CO 0.04 -0.22 -0.20 0.08 -2.51 0.00 0.00 175.55 172.74 2qky s VAL 167 N -3.71 2.47 -0.23 -3.49 1.01 0.49 -0.63 120.40 116.31 2qky s VAL 167 Ca 0.14 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 2qky s VAL 167 Cb 0.06 -1.97 0.13 0.00 0.00 0.00 0.00 36.38 34.60 2qky s VAL 167 CO -0.04 0.56 0.35 0.86 0.00 0.00 0.00 175.10 176.82 2qky s TRP 168 N 0.08 -0.72 -0.61 5.22 -0.00 -0.93 -1.27 118.94 120.71 2qky s TRP 168 Ca -0.09 0.73 -0.01 0.00 -0.00 0.00 0.00 56.10 56.73 2qky s TRP 168 Cb -0.15 -0.05 0.00 0.00 -0.00 0.00 0.00 33.47 33.27 2qky s TRP 168 CO 0.06 -0.69 0.51 0.09 -0.00 0.00 0.00 176.95 176.92 2qky n ASN 169 N 5.36 -2.30 -2.04 5.86 5.03 -1.26 -3.22 115.26 122.68 2qky n ASN 169 Ca -0.04 -0.31 -0.16 0.00 0.87 0.00 0.00 54.58 54.94 2qky n ASN 169 Cb 0.50 -2.82 -0.03 0.00 -1.02 0.00 0.00 39.78 36.41 2qky n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2qky n ASN 170 N -1.90 -4.63 -4.41 6.41 5.03 -1.26 -4.38 115.26 110.12 2qky n ASN 170 Ca -0.13 0.22 -0.23 0.00 0.87 0.00 0.00 54.58 55.31 2qky n ASN 170 Cb 0.58 -4.01 -0.11 0.00 -1.02 0.00 0.00 39.78 35.22 2qky n ASN 170 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2qky s ASP 171 N -2.18 3.17 -0.15 6.41 1.11 -1.20 -3.03 116.67 120.80 2qky s ASP 171 Ca 0.00 -0.94 -0.05 0.00 0.18 0.00 0.00 52.55 51.73 2qky s ASP 171 Cb 0.00 -0.23 -0.04 0.00 1.07 0.00 0.00 42.92 43.73 2qky s ASP 171 CO 0.00 0.01 0.02 -0.63 1.18 0.00 0.00 175.17 175.75 2qky s ILE 172 N -2.24 4.44 -0.02 0.77 1.01 -1.26 -2.18 121.20 121.73 2qky s ILE 172 Ca 0.23 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.75 2qky s ILE 172 Cb -0.05 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 2qky s ILE 172 CO 0.10 0.50 -0.15 -0.31 0.00 0.00 0.00 174.94 175.09 2qky s TYR 173 N 0.10 1.34 -0.16 3.97 1.51 0.20 -0.24 117.35 124.08 2qky s TYR 173 Ca 0.03 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 2qky s TYR 173 Cb -0.13 -0.88 0.02 0.00 -0.11 0.00 0.00 41.96 40.87 2qky s TYR 173 CO 0.01 -0.05 -0.17 0.08 -1.11 0.00 0.00 175.55 174.32 2qky s VAL 174 N -0.25 1.80 -0.26 0.71 1.01 -0.57 -0.03 120.40 122.81 2qky s VAL 174 Ca 0.04 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 2qky s VAL 174 Cb -0.07 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 2qky s VAL 174 CO -0.00 0.50 0.06 -0.54 0.00 0.00 0.00 175.10 175.12 2qky s LYS 175 N 1.39 3.49 -0.03 2.72 1.02 0.97 -1.14 119.74 128.17 2qky s LYS 175 Ca 0.05 -0.58 -0.23 0.00 0.02 0.00 0.00 55.97 55.22 2qky s LYS 175 Cb -0.13 -3.31 -0.22 0.00 -0.52 0.00 0.00 37.83 33.66 2qky s LYS 175 CO -0.12 -0.25 1.11 0.82 -0.92 0.00 0.00 175.35 175.99 2qky h ILE 176 N 5.63 1.48 -3.12 2.17 1.08 -1.84 -0.75 117.51 122.17 2qky h ILE 176 Ca -0.37 -1.79 -0.65 0.00 -0.39 0.00 0.00 64.86 61.65 2qky h ILE 176 Cb 1.16 2.54 -0.35 0.00 -3.07 0.00 0.00 36.82 37.10 2qky h ILE 176 CO 0.59 0.50 -0.86 -1.61 -0.69 0.00 0.00 178.15 176.08 2qky s GLU 177 N -3.42 2.81 0.06 2.37 0.41 -1.26 -4.32 118.70 115.34 2qky s GLU 177 Ca -0.15 -0.76 0.02 0.00 -0.41 0.00 0.00 54.97 53.66 2qky s GLU 177 Cb 0.02 -2.39 0.09 0.00 -1.78 0.00 0.00 34.13 30.07 2qky s GLU 177 CO 0.75 -0.15 0.78 -2.30 -0.49 0.00 0.00 175.26 173.85 2qky n PRO 178 N 4.47 0.01 0.00 0.39 -0.02 -1.26 0.15 135.00 138.75 2qky n PRO 178 Ca -0.20 0.27 0.04 0.00 -2.02 0.00 0.00 63.50 61.59 2qky n PRO 178 Cb 0.50 -1.86 -0.01 0.00 -0.02 0.00 0.00 33.50 32.11 2qky n PRO 178 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2qky n ASN 179 N -1.35 0.93 -4.98 2.55 6.94 -1.26 -4.77 115.26 113.33 2qky n ASN 179 Ca -0.00 -0.97 -0.20 0.00 -0.02 0.00 0.00 54.58 53.39 2qky n ASN 179 Cb 0.32 0.62 0.02 0.00 -2.36 0.00 0.00 39.78 38.38 2qky n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2qky s LEU 180 N -1.80 3.53 0.42 -4.53 1.43 0.40 -4.57 118.68 113.57 2qky s LEU 180 Ca 0.06 -0.11 -0.24 0.00 -1.03 0.00 0.00 54.13 52.82 2qky s LEU 180 Cb 0.07 -2.84 -0.08 0.00 0.03 0.00 0.00 46.19 43.37 2qky s LEU 180 CO 0.26 -0.87 1.10 -2.16 0.23 0.00 0.00 176.35 174.91 2qky s PRO 181 N -4.54 4.03 0.57 1.29 0.04 -1.26 -4.79 135.00 130.34 2qky s PRO 181 Ca 0.54 1.65 -0.10 0.00 0.04 0.00 0.00 61.00 63.12 2qky s PRO 181 Cb -0.10 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 2qky s PRO 181 CO 0.36 -0.29 0.96 -1.54 0.04 0.00 0.00 177.00 176.52 2qky s SER 182 N -1.42 6.28 -0.08 6.66 1.04 -1.26 -4.66 113.70 120.26 2qky s SER 182 Ca 0.59 1.30 -0.02 0.00 0.48 0.00 0.00 55.95 58.30 2qky s SER 182 Cb -0.25 -2.41 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 2qky s SER 182 CO 0.32 -0.76 0.01 -0.31 0.98 0.00 0.00 173.24 173.48 2qky s TYR 183 N -2.99 3.19 -0.54 5.02 2.02 -0.29 -4.88 117.35 118.87 2qky s TYR 183 Ca 0.53 0.21 -0.23 0.00 -0.37 0.00 0.00 57.07 57.21 2qky s TYR 183 Cb -0.11 -1.79 0.05 0.00 -0.40 0.00 0.00 41.96 39.71 2qky s TYR 183 CO 0.49 0.49 0.87 1.03 -1.57 0.00 0.00 175.55 176.85 2qky s ARG 184 N -0.95 3.28 0.03 -0.62 1.81 -1.26 -1.51 118.95 119.72 2qky s ARG 184 Ca 0.14 -0.42 -0.16 0.00 -1.72 0.00 0.00 55.73 53.57 2qky s ARG 184 Cb -0.11 -4.07 -0.34 0.00 -0.45 0.00 0.00 34.95 29.98 2qky s ARG 184 CO 0.03 -1.43 1.02 0.82 -0.68 0.00 0.00 175.30 175.06 2qky h ILE 185 N 5.98 1.29 -2.14 1.52 1.08 -0.99 -3.41 117.51 120.85 2qky h ILE 185 Ca -0.26 -2.63 -0.56 0.00 -0.39 0.00 0.00 64.86 61.02 2qky h ILE 185 Cb 1.08 2.97 -0.09 0.00 -3.07 0.00 0.00 36.82 37.71 2qky h ILE 185 CO 1.06 0.79 -0.63 0.42 -0.69 0.00 0.00 178.15 179.10 2qky s THR 186 N -2.69 3.35 0.00 -0.27 -4.23 -1.21 -4.84 115.64 105.76 2qky s THR 186 Ca -0.09 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 2qky s THR 186 Cb 0.04 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 71.01 2qky s THR 186 CO 0.94 -0.34 0.02 0.79 -0.54 0.00 0.00 174.62 175.49 2qky n TRP 187 N -0.94 0.00 -0.34 3.99 7.02 -1.26 -4.66 117.44 121.25 2qky n TRP 187 Ca -0.06 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.44 2qky n TRP 187 Cb 0.59 0.00 0.25 0.00 -2.42 0.00 0.00 31.31 29.74 2qky n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2qky n THR 188 N -0.00 2.01 -2.41 -0.99 -2.24 -1.26 -4.92 114.28 104.45 2qky n THR 188 Ca 0.00 -1.02 -0.43 0.00 -2.27 0.00 0.00 64.05 60.33 2qky n THR 188 Cb 0.22 -0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 68.03 2qky n THR 188 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2qky s GLY 189 N -0.54 1.13 -0.04 3.38 0.00 -1.25 -4.61 107.32 105.39 2qky s GLY 189 Ca 0.38 -0.26 0.02 0.00 0.00 0.00 0.00 44.72 44.86 2qky s GLY 189 CO 0.10 2.68 -0.06 1.25 0.00 0.00 0.00 173.10 177.08 2qky s LYS 190 N 4.85 0.90 0.11 2.90 2.20 -1.08 -4.81 119.74 124.80 2qky s LYS 190 Ca 0.58 -0.18 -0.33 0.00 -0.36 0.00 0.00 55.97 55.67 2qky s LYS 190 Cb -0.12 -0.86 -0.13 0.00 -1.51 0.00 0.00 37.83 35.22 2qky s LYS 190 CO 0.32 -0.01 1.70 -1.91 -0.36 0.00 0.00 175.35 175.09 2qky n GLU 191 N 3.76 2.32 -0.92 4.03 2.13 -1.26 -1.53 120.64 129.16 2qky n GLU 191 Ca -0.23 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.43 2qky n GLU 191 Cb 0.52 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.58 2qky n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2qky n ASP 192 N 4.53 -4.90 0.04 4.31 8.00 -1.26 -4.70 116.55 122.58 2qky n ASP 192 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 2qky n ASP 192 Cb 0.31 -3.18 0.00 0.00 -0.02 0.00 0.00 41.12 38.23 2qky n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2qky n ILE 193 N -2.05 0.49 -4.01 0.53 2.08 -0.88 -4.64 119.36 110.88 2qky n ILE 193 Ca 0.00 0.16 -0.31 0.00 0.56 0.00 0.00 62.75 63.16 2qky n ILE 193 Cb 0.40 -1.24 -0.16 0.00 -0.75 0.00 0.00 39.64 37.89 2qky n ILE 193 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2qky s ILE 194 N -2.00 1.79 -0.28 1.39 -1.09 -0.58 -0.74 121.20 119.68 2qky s ILE 194 Ca 0.00 -1.21 -0.09 0.00 -2.23 0.00 0.00 60.65 57.12 2qky s ILE 194 Cb 0.00 -1.89 -0.02 0.00 -1.58 0.00 0.00 42.46 38.97 2qky s ILE 194 CO 0.00 0.09 0.13 -0.31 -1.23 0.00 0.00 174.94 173.62 2qky s TYR 195 N 1.31 3.15 -0.39 3.97 1.51 0.32 -2.63 117.35 124.59 2qky s TYR 195 Ca -0.04 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.61 2qky s TYR 195 Cb -0.18 -2.32 0.09 0.00 -0.11 0.00 0.00 41.96 39.45 2qky s TYR 195 CO -0.07 -0.36 0.18 -0.80 -1.11 0.00 0.00 175.55 173.38 2qky s ASN 196 N 1.64 5.25 0.00 2.29 0.01 -1.17 -0.35 114.94 122.62 2qky s ASN 196 Ca 0.06 -1.80 0.00 0.00 -0.71 0.00 0.00 52.86 50.40 2qky s ASN 196 Cb -0.16 -1.83 0.00 0.00 0.41 0.00 0.00 41.25 39.67 2qky s ASN 196 CO 0.06 -0.49 0.00 0.61 -1.51 0.00 0.00 177.10 175.77 2qky n GLY 197 N 4.65 0.72 3.05 0.66 0.00 -1.06 -4.25 105.19 108.96 2qky n GLY 197 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 2qky n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qky s ILE 198 N -2.54 0.03 0.60 -0.61 -4.36 -1.26 0.03 121.20 113.09 2qky s ILE 198 Ca 0.00 -0.28 -0.13 0.00 -0.26 0.00 0.00 60.65 59.97 2qky s ILE 198 Cb 0.00 -0.29 -0.04 0.00 1.25 0.00 0.00 42.46 43.38 2qky s ILE 198 CO 0.00 -0.16 1.02 0.42 0.24 0.00 0.00 174.94 176.47 2qky s THR 199 N -0.50 4.41 0.00 8.37 -4.23 -1.12 -4.70 115.64 117.87 2qky s THR 199 Ca -0.06 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 2qky s THR 199 Cb -0.04 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.13 2qky s THR 199 CO 0.01 -0.86 0.00 -0.90 -0.54 0.00 0.00 174.62 172.32 2qky n ASP 200 N -2.34 0.00 0.11 3.99 5.68 -1.26 -4.77 116.55 117.96 2qky n ASP 200 Ca 0.07 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.26 2qky n ASP 200 Cb 0.54 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.46 2qky n ASP 200 CO 0.00 0.00 0.00 -0.25 -1.33 0.00 0.00 177.20 175.62 2qky h TRP 201 N -0.01 -0.32 -0.82 2.11 7.01 -1.99 -3.11 115.95 118.82 2qky h TRP 201 Ca 0.00 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.00 2qky h TRP 201 Cb 0.00 0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.13 2qky h TRP 201 CO 0.00 0.01 0.54 -0.24 -2.79 0.00 0.00 178.44 175.96 2qky h VAL 202 N -0.96 1.20 -0.49 2.65 3.04 -1.94 -2.05 116.25 117.68 2qky h VAL 202 Ca -0.04 -0.38 -0.12 0.00 -1.01 0.00 0.00 66.70 65.16 2qky h VAL 202 Cb 0.48 0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 29.75 2qky h VAL 202 CO 0.06 0.20 -0.15 1.88 -1.01 0.00 0.00 177.57 178.55 2qky h TYR 203 N 1.09 1.07 -0.09 3.17 -1.99 -1.93 0.47 116.97 118.76 2qky h TYR 203 Ca 0.30 -0.23 -0.09 0.00 2.00 0.00 0.00 58.73 60.72 2qky h TYR 203 Cb -0.11 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.35 2qky h TYR 203 CO -0.00 1.03 -0.33 1.49 -0.00 0.00 0.00 178.16 180.34 2qky h GLU 204 N 0.84 0.18 0.00 4.88 4.81 -1.40 -0.91 114.58 122.98 2qky h GLU 204 Ca 0.12 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2qky h GLU 204 Cb 0.70 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 2qky h GLU 204 CO 0.05 0.50 -0.61 -1.91 -0.73 0.00 0.00 179.01 176.31 2qky n GLU 205 N -4.10 0.47 0.00 1.92 4.07 -0.80 -2.41 120.64 119.78 2qky n GLU 205 Ca -0.01 0.53 0.12 0.00 -0.06 0.00 0.00 57.16 57.74 2qky n GLU 205 Cb 0.41 -1.70 0.32 0.00 -0.06 0.00 0.00 31.44 30.41 2qky n GLU 205 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2qky n GLU 206 N -4.59 0.09 0.00 5.31 -0.58 0.16 -4.28 120.64 116.76 2qky n GLU 206 Ca -0.11 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 2qky n GLU 206 Cb 0.32 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 2qky n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2qky n VAL 207 N -1.41 0.00 0.03 2.62 0.31 -0.85 -4.86 118.33 114.16 2qky n VAL 207 Ca 0.07 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.48 2qky n VAL 207 Cb 0.33 -0.62 -0.13 0.00 -0.91 0.00 0.00 33.84 32.52 2qky n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2qky n PHE 208 N -2.40 0.00 -3.73 3.52 3.72 -0.40 -4.94 117.46 113.23 2qky n PHE 208 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.16 2qky n PHE 208 Cb 0.34 -0.36 0.02 0.00 -0.94 0.00 0.00 39.48 38.54 2qky n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2qky n SER 209 N -2.05 -2.00 0.00 4.37 7.64 -1.08 -4.95 113.62 115.56 2qky n SER 209 Ca -0.03 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 58.95 2qky n SER 209 Cb 0.42 -3.74 0.00 0.00 -1.01 0.00 0.00 64.21 59.88 2qky n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qky n ALA 210 N -4.23 0.00 0.53 -0.43 0.00 -1.01 -5.03 120.51 110.33 2qky n ALA 210 Ca -0.25 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.31 2qky n ALA 210 Cb 0.66 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.35 2qky n ALA 210 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2qky h TYR 211 N 0.00 0.00 -3.44 0.00 3.20 -1.85 -3.39 116.97 111.49 2qky h TYR 211 Ca 0.00 0.00 -0.54 0.00 3.14 0.00 0.00 58.73 61.33 2qky h TYR 211 Cb 0.00 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 2qky h TYR 211 CO 0.00 0.00 0.15 0.45 -1.64 0.00 0.00 178.16 177.12 2qky s SER 212 N -4.60 7.26 -0.29 -2.11 0.15 -1.26 -2.81 113.70 110.04 2qky s SER 212 Ca 0.07 1.50 0.15 0.00 0.70 0.00 0.00 55.95 58.37 2qky s SER 212 Cb 0.12 -2.47 0.48 0.00 -1.71 0.00 0.00 66.02 62.44 2qky s SER 212 CO 0.68 0.10 1.12 0.00 1.20 0.00 0.00 173.24 176.34 2qky n ALA 213 N 2.30 3.79 -3.09 5.45 0.00 0.10 -4.77 120.51 124.30 2qky n ALA 213 Ca -0.04 -3.32 -0.12 0.00 0.00 0.00 0.00 53.44 49.96 2qky n ALA 213 Cb 0.50 -0.65 -0.11 0.00 0.00 0.00 0.00 19.45 19.18 2qky n ALA 213 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2qky s LEU 214 N -3.63 1.43 -0.17 0.00 2.34 -1.26 -1.20 118.68 116.19 2qky s LEU 214 Ca 0.38 0.05 -0.05 0.00 0.06 0.00 0.00 54.13 54.57 2qky s LEU 214 Cb 0.38 0.66 0.06 0.00 -0.56 0.00 0.00 46.19 46.73 2qky s LEU 214 CO -0.02 -0.24 0.11 0.26 -1.06 0.00 0.00 176.35 175.40 2qky s TRP 215 N -0.73 0.13 0.55 3.48 0.23 0.67 -4.98 118.94 118.29 2qky s TRP 215 Ca -0.08 -0.23 -0.22 0.00 -2.03 0.00 0.00 56.10 53.54 2qky s TRP 215 Cb -0.05 -0.64 -0.05 0.00 0.03 0.00 0.00 33.47 32.76 2qky s TRP 215 CO 0.01 -0.51 1.37 0.91 0.96 0.00 0.00 176.95 179.68 2qky n TRP 216 N 5.29 2.33 -2.25 -1.98 7.02 -1.26 -3.60 117.44 122.98 2qky n TRP 216 Ca -0.07 0.43 -0.34 0.00 -1.02 0.00 0.00 57.50 56.50 2qky n TRP 216 Cb 0.49 -2.37 -0.00 0.00 -2.42 0.00 0.00 31.31 27.01 2qky n TRP 216 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2qky s SER 217 N -0.92 5.89 0.30 -0.99 1.04 -0.82 -4.86 113.70 113.35 2qky s SER 217 Ca 0.72 1.97 0.24 0.00 0.48 0.00 0.00 55.95 59.36 2qky s SER 217 Cb -0.41 -2.56 0.97 0.00 0.10 0.00 0.00 66.02 64.12 2qky s SER 217 CO 0.49 -1.09 0.96 -2.65 0.98 0.00 0.00 173.24 171.92 2qky n PRO 218 N -1.50 -0.01 -1.11 4.02 -0.02 -1.26 -0.18 135.00 134.94 2qky n PRO 218 Ca 0.10 0.73 -0.02 0.00 -2.02 0.00 0.00 63.50 62.29 2qky n PRO 218 Cb 0.52 -1.52 0.14 0.00 -0.02 0.00 0.00 33.50 32.62 2qky n PRO 218 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2qky n ASN 219 N -3.62 2.44 0.00 2.55 0.23 -1.26 -4.46 115.26 111.15 2qky n ASN 219 Ca 0.26 -3.63 0.00 0.00 -0.53 0.00 0.00 54.58 50.67 2qky n ASN 219 Cb 1.07 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 38.31 2qky n ASN 219 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qky n GLY 220 N -0.86 0.52 0.37 4.83 0.00 0.75 -4.80 105.19 106.00 2qky n GLY 220 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.29 2qky n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qky h THR 221 N 0.00 1.05 -3.09 2.61 2.02 -1.94 -3.43 112.91 110.13 2qky h THR 221 Ca 0.00 -0.39 -0.63 0.00 0.77 0.00 0.00 66.41 66.16 2qky h THR 221 Cb 0.00 -0.18 -0.14 0.00 -1.74 0.00 0.00 68.15 66.09 2qky h THR 221 CO 0.00 0.21 -0.72 -0.36 0.37 0.00 0.00 175.52 175.01 2qky s PHE 222 N -6.02 2.66 -0.19 3.16 0.08 -1.26 -0.56 117.98 115.85 2qky s PHE 222 Ca -0.12 -0.21 -0.01 0.00 0.12 0.00 0.00 56.93 56.70 2qky s PHE 222 Cb 0.21 -1.31 0.05 0.00 -0.57 0.00 0.00 43.02 41.40 2qky s PHE 222 CO 0.81 0.50 -0.01 -1.17 -0.10 0.00 0.00 175.22 175.25 2qky s LEU 223 N -2.74 1.56 -0.13 -0.37 2.96 0.39 -1.94 118.68 118.41 2qky s LEU 223 Ca 0.24 -0.82 -0.02 0.00 -0.22 0.00 0.00 54.13 53.31 2qky s LEU 223 Cb -0.09 -0.79 -0.03 0.00 0.50 0.00 0.00 46.19 45.79 2qky s LEU 223 CO 0.15 -0.26 -0.06 0.00 -1.32 0.00 0.00 176.35 174.86 2qky s ALA 224 N 1.71 2.94 0.33 5.97 0.00 -1.24 0.90 121.76 132.37 2qky s ALA 224 Ca -0.01 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.14 2qky s ALA 224 Cb -0.17 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 2qky s ALA 224 CO -0.07 0.30 0.17 1.52 0.00 0.00 0.00 175.76 177.68 2qky s TYR 225 N 0.10 1.67 0.49 0.00 1.13 -0.75 -0.24 117.35 119.76 2qky s TYR 225 Ca -0.02 -1.40 0.04 0.00 -1.41 0.00 0.00 57.07 54.29 2qky s TYR 225 Cb -0.14 -0.90 -0.01 0.00 -1.10 0.00 0.00 41.96 39.81 2qky s TYR 225 CO 0.03 -0.53 0.17 0.00 -2.51 0.00 0.00 175.55 172.72 2qky s ALA 226 N -3.49 4.01 -0.17 9.51 0.00 -0.35 -1.40 121.76 129.88 2qky s ALA 226 Ca 0.34 -1.23 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 2qky s ALA 226 Cb 0.04 -0.31 0.07 0.00 0.00 0.00 0.00 23.12 22.93 2qky s ALA 226 CO 0.19 -0.20 0.39 -1.14 0.00 0.00 0.00 175.76 175.00 2qky s GLN 227 N -4.00 0.32 0.07 0.00 0.74 0.12 -2.57 119.66 114.34 2qky s GLN 227 Ca 0.26 0.89 0.05 0.00 0.05 0.00 0.00 55.36 56.60 2qky s GLN 227 Cb 0.02 0.14 -0.04 0.00 1.10 0.00 0.00 33.01 34.22 2qky s GLN 227 CO 0.15 -0.22 -0.02 -0.06 -0.55 0.00 0.00 175.29 174.59 2qky s PHE 228 N 2.09 2.97 -0.29 1.67 0.08 0.53 -0.48 117.98 124.55 2qky s PHE 228 Ca -0.04 -0.03 -0.00 0.00 0.12 0.00 0.00 56.93 56.97 2qky s PHE 228 Cb -0.11 -1.55 0.09 0.00 -0.57 0.00 0.00 43.02 40.89 2qky s PHE 228 CO -0.12 0.46 0.07 1.21 -0.10 0.00 0.00 175.22 176.74 2qky s ASN 229 N -2.15 3.97 -0.37 1.36 3.84 -0.60 -0.52 114.94 120.47 2qky s ASN 229 Ca 0.24 -1.55 0.08 0.00 0.21 0.00 0.00 52.86 51.83 2qky s ASN 229 Cb -0.12 -0.96 0.72 0.00 -0.55 0.00 0.00 41.25 40.34 2qky s ASN 229 CO 0.16 -0.38 1.85 0.47 -2.79 0.00 0.00 177.10 176.42 2qky n ASP 230 N 4.78 4.42 -0.32 -4.21 9.92 0.08 -2.19 116.55 129.02 2qky n ASP 230 Ca -0.03 -3.38 0.15 0.00 -0.53 0.00 0.00 54.79 51.00 2qky n ASP 230 Cb 0.43 -0.78 0.35 0.00 -0.64 0.00 0.00 41.12 40.47 2qky n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2qky h THR 231 N 2.02 0.50 -0.17 -3.53 2.02 -1.84 -2.41 112.91 109.50 2qky h THR 231 Ca 0.41 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 67.38 2qky h THR 231 Cb 2.55 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.91 2qky h THR 231 CO 0.89 0.09 -0.11 -0.62 0.37 0.00 0.00 175.52 176.13 2qky n GLU 232 N -4.97 1.92 -3.09 6.66 1.02 -1.26 -5.02 120.64 115.89 2qky n GLU 232 Ca 0.24 -2.96 -0.39 0.00 -0.02 0.00 0.00 57.16 54.03 2qky n GLU 232 Cb 0.70 -1.70 -0.05 0.00 -0.02 0.00 0.00 31.44 30.37 2qky n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qky s VAL 233 N -3.04 5.04 0.94 2.62 1.01 -0.91 -4.69 120.40 121.37 2qky s VAL 233 Ca 0.39 1.37 -0.11 0.00 0.00 0.00 0.00 61.98 63.63 2qky s VAL 233 Cb 0.35 -4.00 0.12 0.00 0.00 0.00 0.00 36.38 32.85 2qky s VAL 233 CO 0.02 0.28 0.93 -2.65 0.00 0.00 0.00 175.10 173.68 2qky n PRO 234 N 3.60 -0.51 -5.22 2.72 -0.02 -1.26 -4.77 135.00 129.54 2qky n PRO 234 Ca -0.03 -0.09 -0.32 0.00 -2.02 0.00 0.00 63.50 61.05 2qky n PRO 234 Cb 0.51 -2.22 -0.16 0.00 -0.02 0.00 0.00 33.50 31.61 2qky n PRO 234 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qky s LEU 235 N -5.08 2.16 -0.02 2.45 1.43 -1.26 -2.32 118.68 116.03 2qky s LEU 235 Ca 0.64 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 53.11 2qky s LEU 235 Cb -0.22 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 2qky s LEU 235 CO 0.61 0.27 0.45 -0.51 0.23 0.00 0.00 176.35 177.40 2qky s ILE 236 N -0.30 5.02 -0.08 -0.59 1.10 -0.40 -4.89 121.20 121.06 2qky s ILE 236 Ca 0.01 0.93 0.03 0.00 -0.51 0.00 0.00 60.65 61.10 2qky s ILE 236 Cb -0.13 -3.77 0.01 0.00 0.15 0.00 0.00 42.46 38.72 2qky s ILE 236 CO 0.02 0.51 -0.16 -1.61 -2.11 0.00 0.00 174.94 171.59 2qky s GLU 237 N -0.65 2.13 0.08 3.50 2.02 -1.26 -1.90 118.70 122.62 2qky s GLU 237 Ca 0.25 -0.57 -0.11 0.00 0.02 0.00 0.00 54.97 54.56 2qky s GLU 237 Cb -0.17 -1.69 0.01 0.00 0.10 0.00 0.00 34.13 32.38 2qky s GLU 237 CO 0.13 0.08 0.25 1.52 0.02 0.00 0.00 175.26 177.27 2qky s TYR 238 N 0.54 0.02 0.25 1.61 1.13 -0.46 -4.97 117.35 115.47 2qky s TYR 238 Ca -0.16 -0.35 -0.30 0.00 -1.41 0.00 0.00 57.07 54.86 2qky s TYR 238 Cb -0.16 0.04 -0.09 0.00 -1.10 0.00 0.00 41.96 40.64 2qky s TYR 238 CO 0.05 -0.55 0.95 -1.12 -2.51 0.00 0.00 175.55 172.37 2qky s SER 239 N -2.61 7.60 -0.12 -0.18 0.01 -1.26 -0.09 113.70 117.04 2qky s SER 239 Ca 0.01 1.96 0.02 0.00 1.31 0.00 0.00 55.95 59.25 2qky s SER 239 Cb 0.03 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.66 2qky s SER 239 CO -0.09 0.12 -0.16 0.12 0.41 0.00 0.00 173.24 173.64 2qky s PHE 240 N -1.22 2.12 -0.75 2.43 5.36 -0.09 -4.66 117.98 121.16 2qky s PHE 240 Ca 0.42 -1.05 0.22 0.00 -0.96 0.00 0.00 56.93 55.56 2qky s PHE 240 Cb -0.26 -1.52 -0.13 0.00 -0.34 0.00 0.00 43.02 40.77 2qky s PHE 240 CO 0.32 -0.54 0.89 0.66 -1.46 0.00 0.00 175.22 175.10 2qky n TYR 241 N 4.29 0.05 -3.46 10.12 4.02 -1.26 -1.71 117.16 129.21 2qky n TYR 241 Ca -0.19 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 2qky n TYR 241 Cb 0.51 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 2qky n TYR 241 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2qky n SER 242 N -1.72 0.00 -4.88 7.72 2.88 -1.26 -4.70 113.62 111.66 2qky n SER 242 Ca 0.02 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.26 2qky n SER 242 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2qky n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2qky s ASP 243 N -4.00 6.26 0.28 -3.46 1.01 -1.26 -4.95 116.67 110.54 2qky s ASP 243 Ca 0.00 1.27 0.01 0.00 0.71 0.00 0.00 52.55 54.55 2qky s ASP 243 Cb 0.00 -2.40 0.58 0.00 1.01 0.00 0.00 42.92 42.11 2qky s ASP 243 CO 0.00 -0.76 1.80 -0.08 0.21 0.00 0.00 175.17 176.33 2qky h GLU 244 N -0.08 0.78 0.00 8.23 4.81 -2.06 -0.69 114.58 125.58 2qky h GLU 244 Ca -0.45 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2qky h GLU 244 Cb 1.19 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.40 2qky h GLU 244 CO 0.62 0.52 0.00 -1.13 -0.73 0.00 0.00 179.01 178.29 2qky n SER 245 N -4.74 0.00 -4.52 1.04 3.41 -1.26 -4.54 113.62 103.01 2qky n SER 245 Ca 0.19 0.22 -0.43 0.00 -0.26 0.00 0.00 58.87 58.59 2qky n SER 245 Cb 0.43 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 64.06 2qky n SER 245 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2qky s LEU 246 N -2.53 4.39 0.45 1.04 2.96 -0.27 -4.94 118.68 119.79 2qky s LEU 246 Ca 0.03 -0.33 0.30 0.00 -0.22 0.00 0.00 54.13 53.91 2qky s LEU 246 Cb 0.02 -2.80 1.28 0.00 0.50 0.00 0.00 46.19 45.18 2qky s LEU 246 CO 0.04 -0.93 1.90 -0.61 -1.32 0.00 0.00 176.35 175.43 2qky h GLN 247 N 9.02 0.00 -3.55 1.98 4.15 -1.88 -3.41 115.11 121.42 2qky h GLN 247 Ca -0.26 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.67 2qky h GLN 247 Cb 1.09 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 28.38 2qky h GLN 247 CO 0.97 0.00 -0.76 0.71 -1.93 0.00 0.00 178.83 177.81 2qky s TYR 248 N -3.56 0.88 -0.05 3.99 2.02 -1.26 -5.09 117.35 114.27 2qky s TYR 248 Ca 0.02 -0.65 -0.38 0.00 -0.37 0.00 0.00 57.07 55.69 2qky s TYR 248 Cb 0.09 -0.95 -0.16 0.00 -0.40 0.00 0.00 41.96 40.54 2qky s TYR 248 CO 0.48 -0.54 1.49 -2.30 -1.57 0.00 0.00 175.55 173.11 2qky n PRO 249 N 5.09 1.15 -2.54 -1.71 -0.02 -1.26 -4.90 135.00 130.81 2qky n PRO 249 Ca -0.08 0.42 -0.32 0.00 -2.02 0.00 0.00 63.50 61.50 2qky n PRO 249 Cb 0.48 -2.08 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 2qky n PRO 249 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2qky s LYS 250 N 1.61 3.94 -0.29 -0.52 -2.85 -0.69 -4.88 119.74 116.06 2qky s LYS 250 Ca 0.90 0.87 -0.05 0.00 -1.00 0.00 0.00 55.97 56.69 2qky s LYS 250 Cb -1.00 -2.19 0.02 0.00 -2.06 0.00 0.00 37.83 32.60 2qky s LYS 250 CO 0.54 -0.19 0.04 0.99 0.10 0.00 0.00 175.35 176.83 2qky s THR 251 N -2.52 3.61 0.09 3.79 2.01 -1.26 -0.92 115.64 120.44 2qky s THR 251 Ca 0.58 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 61.40 2qky s THR 251 Cb -0.10 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 2qky s THR 251 CO 0.29 0.06 0.99 -0.69 -0.69 0.00 0.00 174.62 174.58 2qky s VAL 252 N 1.43 4.50 -0.29 3.82 1.01 0.87 -4.87 120.40 126.86 2qky s VAL 252 Ca 0.01 2.00 -0.00 0.00 0.00 0.00 0.00 61.98 63.99 2qky s VAL 252 Cb -0.17 -4.28 0.09 0.00 0.00 0.00 0.00 36.38 32.01 2qky s VAL 252 CO 0.01 0.27 0.06 -0.13 0.00 0.00 0.00 175.10 175.31 2qky s ARG 253 N 0.23 0.95 -0.01 2.72 0.52 -1.26 -1.36 118.95 120.74 2qky s ARG 253 Ca 0.49 -1.11 0.05 0.00 -0.52 0.00 0.00 55.73 54.63 2qky s ARG 253 Cb -0.24 -2.27 -0.03 0.00 0.52 0.00 0.00 34.95 32.94 2qky s ARG 253 CO 0.30 -0.89 -0.14 0.54 0.02 0.00 0.00 175.30 175.13 2qky s VAL 254 N 1.50 3.05 -0.26 3.52 0.11 -0.80 -4.93 120.40 122.59 2qky s VAL 254 Ca 0.07 -0.89 -0.29 0.00 -2.93 0.00 0.00 61.98 57.93 2qky s VAL 254 Cb -0.18 -2.25 -0.02 0.00 -1.53 0.00 0.00 36.38 32.40 2qky s VAL 254 CO -0.18 0.47 1.69 -2.84 -3.33 0.00 0.00 175.10 170.91 2qky s PRO 255 N -1.08 3.62 -0.18 1.54 0.02 -1.26 -1.27 135.00 136.38 2qky s PRO 255 Ca 0.13 1.56 -0.04 0.00 0.02 0.00 0.00 61.00 62.68 2qky s PRO 255 Cb -0.11 -4.10 0.08 0.00 0.02 0.00 0.00 34.50 30.39 2qky s PRO 255 CO 0.03 -1.51 0.18 -0.47 -0.33 0.00 0.00 177.00 174.90 2qky s TYR 256 N 5.84 -0.16 -0.20 6.54 6.14 -0.98 -4.34 117.35 130.19 2qky s TYR 256 Ca 0.75 0.16 -0.24 0.00 0.64 0.00 0.00 57.07 58.38 2qky s TYR 256 Cb -0.24 -0.42 -0.01 0.00 0.42 0.00 0.00 41.96 41.71 2qky s TYR 256 CO 0.31 -0.54 0.76 -1.25 0.64 0.00 0.00 175.55 175.48 2qky s PRO 257 N 2.28 4.23 0.25 4.97 0.04 -1.26 -4.55 135.00 140.97 2qky s PRO 257 Ca 0.05 0.86 -0.08 0.00 0.04 0.00 0.00 61.00 61.87 2qky s PRO 257 Cb -0.15 -3.60 -0.07 0.00 0.04 0.00 0.00 34.50 30.72 2qky s PRO 257 CO -0.11 -0.36 0.56 0.15 0.04 0.00 0.00 177.00 177.28 2qky s LYS 258 N 2.31 3.75 -0.45 4.56 1.02 -1.26 0.11 119.74 129.77 2qky s LYS 258 Ca 0.34 0.21 -0.25 0.00 0.02 0.00 0.00 55.97 56.29 2qky s LYS 258 Cb -0.16 -2.64 -0.13 0.00 -0.52 0.00 0.00 37.83 34.38 2qky s LYS 258 CO 0.10 0.27 1.53 0.00 -0.92 0.00 0.00 175.35 176.33 2qky n ALA 259 N -0.41 0.16 0.00 5.17 0.00 0.66 -0.67 120.51 125.41 2qky n ALA 259 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qky n ALA 259 Cb 0.53 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2qky n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qky n GLY 260 N 4.58 2.09 3.29 0.00 0.00 -1.26 -4.74 105.19 109.15 2qky n GLY 260 Ca 0.38 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2qky n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qky n ALA 261 N 0.00 -4.18 -2.38 4.61 0.00 0.15 -4.91 120.51 113.81 2qky n ALA 261 Ca 0.00 -1.63 -0.43 0.00 0.00 0.00 0.00 53.44 51.38 2qky n ALA 261 Cb 0.00 -1.68 -0.02 0.00 0.00 0.00 0.00 19.45 17.74 2qky n ALA 261 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qky s VAL 262 N -2.21 4.14 0.49 0.00 1.01 -1.26 -4.89 120.40 117.67 2qky s VAL 262 Ca 0.66 1.33 -0.09 0.00 0.00 0.00 0.00 61.98 63.87 2qky s VAL 262 Cb -0.17 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 2qky s VAL 262 CO 0.59 -0.31 0.85 0.20 0.00 0.00 0.00 175.10 176.43 2qky s ASN 263 N 2.63 6.38 0.34 3.32 0.01 -1.26 -4.34 114.94 122.01 2qky s ASN 263 Ca 0.58 1.16 -0.28 0.00 -0.71 0.00 0.00 52.86 53.60 2qky s ASN 263 Cb -0.20 -2.34 -0.10 0.00 0.41 0.00 0.00 41.25 39.02 2qky s ASN 263 CO 0.20 -0.58 1.25 -2.16 -1.51 0.00 0.00 177.10 174.30 2qky s PRO 264 N -4.47 4.34 0.53 -0.60 0.04 -1.26 -4.89 135.00 128.69 2qky s PRO 264 Ca 0.51 2.08 -0.02 0.00 0.04 0.00 0.00 61.00 63.62 2qky s PRO 264 Cb -0.10 -3.01 0.01 0.00 0.04 0.00 0.00 34.50 31.43 2qky s PRO 264 CO 0.41 -0.16 0.78 0.95 0.04 0.00 0.00 177.00 179.03 2qky s THR 265 N -1.19 3.49 0.05 1.26 -4.23 -0.93 -4.88 115.64 109.21 2qky s THR 265 Ca 0.50 -0.38 -0.05 0.00 -1.18 0.00 0.00 61.69 60.58 2qky s THR 265 Cb -0.37 -3.33 -0.01 0.00 1.34 0.00 0.00 72.50 70.12 2qky s THR 265 CO 0.48 -0.27 0.09 0.54 -0.54 0.00 0.00 174.62 174.92 2qky s VAL 266 N -2.77 0.15 -0.02 2.29 0.11 -1.26 -1.56 120.40 117.34 2qky s VAL 266 Ca 0.53 -1.22 -0.05 0.00 -2.93 0.00 0.00 61.98 58.31 2qky s VAL 266 Cb -0.10 -1.06 0.00 0.00 -1.53 0.00 0.00 36.38 33.69 2qky s VAL 266 CO 0.40 -0.67 0.11 -0.54 -3.33 0.00 0.00 175.10 171.07 2qky s LYS 267 N -3.01 0.31 -0.07 1.54 1.02 0.37 -4.96 119.74 114.94 2qky s LYS 267 Ca -0.02 -0.16 0.04 0.00 0.02 0.00 0.00 55.97 55.86 2qky s LYS 267 Cb 0.01 0.13 -0.02 0.00 -0.52 0.00 0.00 37.83 37.44 2qky s LYS 267 CO -0.06 -0.06 -0.20 0.12 -0.92 0.00 0.00 175.35 174.22 2qky s PHE 268 N -0.73 2.57 0.34 3.18 5.36 -1.26 0.14 117.98 127.58 2qky s PHE 268 Ca -0.08 -0.56 0.03 0.00 -0.96 0.00 0.00 56.93 55.37 2qky s PHE 268 Cb -0.05 -1.65 -0.04 0.00 -0.34 0.00 0.00 43.02 40.95 2qky s PHE 268 CO 0.01 -0.11 0.12 -0.06 -1.46 0.00 0.00 175.22 173.72 2qky s PHE 269 N -0.24 1.73 -0.18 10.12 0.40 -0.49 -0.91 117.98 128.41 2qky s PHE 269 Ca -0.01 -1.24 -0.12 0.00 -0.60 0.00 0.00 56.93 54.97 2qky s PHE 269 Cb -0.13 -1.05 0.06 0.00 0.51 0.00 0.00 43.02 42.41 2qky s PHE 269 CO 0.03 -0.32 0.45 0.08 0.70 0.00 0.00 175.22 176.16 2qky s VAL 270 N -3.43 -0.01 -0.04 -0.44 1.01 0.15 -1.81 120.40 115.84 2qky s VAL 270 Ca 0.32 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.37 2qky s VAL 270 Cb 0.05 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.80 2qky s VAL 270 CO 0.16 0.02 -0.03 0.54 0.00 0.00 0.00 175.10 175.79 2qky s VAL 271 N 1.06 0.40 -0.22 2.92 0.11 0.26 0.44 120.40 125.36 2qky s VAL 271 Ca -0.07 -0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 58.64 2qky s VAL 271 Cb -0.06 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 2qky s VAL 271 CO -0.09 0.19 1.57 0.21 -3.33 0.00 0.00 175.10 173.64 2qky s ASN 272 N 0.88 6.44 0.10 3.54 3.84 -1.26 -0.46 114.94 128.02 2qky s ASN 272 Ca -0.11 1.58 -0.10 0.00 0.21 0.00 0.00 52.86 54.45 2qky s ASN 272 Cb -0.14 -2.53 -0.16 0.00 -0.55 0.00 0.00 41.25 37.87 2qky s ASN 272 CO -0.00 -1.21 1.26 0.71 -2.79 0.00 0.00 177.10 175.06 2qky h THR 273 N 6.09 1.32 -0.95 -5.21 1.35 -1.09 -3.20 112.91 111.21 2qky h THR 273 Ca -0.33 -2.26 0.27 0.00 -0.55 0.00 0.00 66.41 63.54 2qky h THR 273 Cb 1.14 2.31 -0.05 0.00 -1.73 0.00 0.00 68.15 69.83 2qky h THR 273 CO 1.00 0.69 0.67 0.44 -0.25 0.00 0.00 175.52 178.08 2qky h ASP 274 N 0.36 0.09 -2.33 5.36 3.32 -1.81 -2.95 116.42 118.47 2qky h ASP 274 Ca -0.10 0.01 -0.65 0.00 0.02 0.00 0.00 57.03 56.31 2qky h ASP 274 Cb 1.59 -0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.76 2qky h ASP 274 CO 0.18 0.03 -0.18 -1.54 -1.72 0.00 0.00 179.24 176.00 2qky n SER 275 N -4.32 4.97 -4.85 6.45 3.41 -1.21 -5.05 113.62 113.03 2qky n SER 275 Ca 0.20 -3.58 -0.33 0.00 -0.26 0.00 0.00 58.87 54.90 2qky n SER 275 Cb 0.97 -0.78 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 2qky n SER 275 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qky s LEU 276 N -3.23 4.14 -0.09 1.04 1.43 -1.12 -4.95 118.68 115.92 2qky s LEU 276 Ca 0.42 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.78 2qky s LEU 276 Cb 0.20 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 2qky s LEU 276 CO -0.07 0.25 -0.14 -0.55 0.23 0.00 0.00 176.35 176.07 2qky s SER 277 N -1.94 3.97 0.00 2.29 0.15 -1.26 -5.01 113.70 111.91 2qky s SER 277 Ca 0.26 -0.27 0.20 0.00 0.70 0.00 0.00 55.95 56.84 2qky s SER 277 Cb -0.12 -1.19 0.78 0.00 -1.71 0.00 0.00 66.02 63.77 2qky s SER 277 CO 0.18 0.26 1.55 -1.54 1.20 0.00 0.00 173.24 174.89 2qky n SER 278 N 2.88 1.37 0.00 5.45 3.41 -1.26 -3.72 113.62 121.76 2qky n SER 278 Ca -0.18 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 2qky n SER 278 Cb 0.52 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2qky n SER 278 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2qky n VAL 279 N 0.14 0.00 -4.70 -3.33 0.31 -1.26 -5.04 118.33 104.44 2qky n VAL 279 Ca 0.15 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.24 2qky n VAL 279 Cb 0.28 0.05 -0.16 0.00 -0.91 0.00 0.00 33.84 33.10 2qky n VAL 279 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2qky s THR 280 N -1.86 1.23 -0.04 2.52 2.01 -1.24 -5.11 115.64 113.16 2qky s THR 280 Ca 0.00 -0.61 -0.35 0.00 0.31 0.00 0.00 61.69 61.04 2qky s THR 280 Cb 0.00 -1.06 -0.13 0.00 0.01 0.00 0.00 72.50 71.32 2qky s THR 280 CO 0.00 0.36 1.77 0.59 -0.69 0.00 0.00 174.62 176.65 2qky n ASN 281 N 3.14 3.19 -4.58 3.53 3.02 -1.26 -4.19 115.26 118.12 2qky n ASN 281 Ca -0.18 1.01 -0.40 0.00 -0.03 0.00 0.00 54.58 54.99 2qky n ASN 281 Cb 0.53 -1.36 0.03 0.00 -0.61 0.00 0.00 39.78 38.37 2qky n ASN 281 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qky n ALA 282 N 5.59 -0.15 -3.52 5.41 0.00 -1.26 -4.97 120.51 121.60 2qky n ALA 282 Ca 0.21 0.13 -0.35 0.00 0.00 0.00 0.00 53.44 53.43 2qky n ALA 282 Cb 0.27 -2.03 -0.14 0.00 0.00 0.00 0.00 19.45 17.56 2qky n ALA 282 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qky s THR 283 N -1.42 3.29 -0.23 0.00 2.01 -1.26 -5.00 115.64 113.03 2qky s THR 283 Ca 0.67 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.77 2qky s THR 283 Cb -0.51 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 2qky s THR 283 CO 0.54 0.23 0.17 -0.44 -0.69 0.00 0.00 174.62 174.43 2qky s SER 284 N 1.41 6.14 0.03 3.53 0.01 -1.26 -4.60 113.70 118.96 2qky s SER 284 Ca 0.02 0.15 -0.26 0.00 1.31 0.00 0.00 55.95 57.17 2qky s SER 284 Cb -0.16 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 63.91 2qky s SER 284 CO -0.02 0.07 0.80 -0.63 0.41 0.00 0.00 173.24 173.87 2qky s ILE 285 N 0.98 4.78 0.09 1.44 -1.09 0.17 -4.77 121.20 122.79 2qky s ILE 285 Ca 0.08 1.69 -0.13 0.00 -2.23 0.00 0.00 60.65 60.07 2qky s ILE 285 Cb -0.13 -4.15 -0.06 0.00 -1.58 0.00 0.00 42.46 36.54 2qky s ILE 285 CO 0.04 0.32 0.46 -1.58 -1.23 0.00 0.00 174.94 172.94 2qky s GLN 286 N 0.22 3.88 -0.31 2.79 0.74 -1.26 0.35 119.66 126.08 2qky s GLN 286 Ca 0.41 0.35 0.03 0.00 0.05 0.00 0.00 55.36 56.20 2qky s GLN 286 Cb -0.20 -3.02 0.08 0.00 1.10 0.00 0.00 33.01 30.96 2qky s GLN 286 CO 0.23 0.56 -0.01 0.42 -0.55 0.00 0.00 175.29 175.94 2qky s ILE 287 N -1.35 2.34 0.75 -2.34 1.01 -0.09 -4.86 121.20 116.67 2qky s ILE 287 Ca 0.33 -1.96 -0.11 0.00 0.00 0.00 0.00 60.65 58.90 2qky s ILE 287 Cb -0.15 -2.55 0.05 0.00 0.01 0.00 0.00 42.46 39.81 2qky s ILE 287 CO 0.18 -0.33 1.09 0.42 0.00 0.00 0.00 174.94 176.30 2qky s THR 288 N 1.02 3.38 0.77 2.92 -4.23 -1.26 -4.36 115.64 113.88 2qky s THR 288 Ca 0.01 0.47 -0.10 0.00 -1.18 0.00 0.00 61.69 60.89 2qky s THR 288 Cb -0.20 -2.98 0.07 0.00 1.34 0.00 0.00 72.50 70.73 2qky s THR 288 CO -0.06 -0.57 1.13 0.00 -0.54 0.00 0.00 174.62 174.57 2qky s ALA 289 N -2.86 2.81 0.64 3.99 0.00 -1.26 -5.02 121.76 120.06 2qky s ALA 289 Ca 0.61 -0.69 -0.17 0.00 0.00 0.00 0.00 51.96 51.71 2qky s ALA 289 Cb -0.17 -2.87 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 2qky s ALA 289 CO 0.54 -1.51 1.20 -2.14 0.00 0.00 0.00 175.76 173.85 2qky s PRO 290 N -5.46 2.69 0.24 0.00 0.02 -1.26 -4.76 135.00 126.47 2qky s PRO 290 Ca 0.61 1.78 -0.07 0.00 0.02 0.00 0.00 61.00 63.34 2qky s PRO 290 Cb -0.11 -1.90 0.23 0.00 0.02 0.00 0.00 34.50 32.74 2qky s PRO 290 CO 0.48 -1.42 1.90 0.00 -0.33 0.00 0.00 177.00 177.63 2qky h ALA 291 N 0.44 1.19 -0.14 -1.55 0.00 -1.98 0.40 119.26 117.62 2qky h ALA 291 Ca -0.49 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.37 2qky h ALA 291 Cb 1.29 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2qky h ALA 291 CO 0.53 0.62 0.25 0.66 0.00 0.00 0.00 179.25 181.32 2qky h SER 292 N 1.28 0.00 0.10 0.00 4.64 -2.02 -1.40 113.55 116.15 2qky h SER 292 Ca 0.34 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.30 2qky h SER 292 Cb -0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 2qky h SER 292 CO -0.07 0.00 -2.00 0.80 -0.87 0.00 0.00 176.83 174.69 2qky n MET 293 N -3.41 0.73 0.28 4.77 0.00 0.11 -4.37 117.12 115.23 2qky n MET 293 Ca 0.01 0.28 0.15 0.00 0.00 0.00 0.00 57.70 58.13 2qky n MET 293 Cb 0.35 -1.69 0.82 0.00 0.00 0.00 0.00 33.22 32.70 2qky n MET 293 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2qky h LEU 294 N -0.06 0.00 -1.69 -0.89 3.38 0.31 -3.12 115.31 113.24 2qky h LEU 294 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2qky h LEU 294 Cb 1.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.69 2qky h LEU 294 CO 0.03 0.08 0.00 0.16 0.09 0.00 0.00 178.44 178.80 2qky h ILE 295 N 0.00 0.00 -1.19 1.22 3.07 -1.63 -3.45 117.51 115.53 2qky h ILE 295 Ca -0.00 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.39 2qky h ILE 295 Cb 0.25 0.61 0.00 0.00 -0.27 0.00 0.00 36.82 37.41 2qky h ILE 295 CO 0.01 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.72 2qky n GLY 296 N -1.19 4.06 3.76 0.16 0.00 -1.18 -5.14 105.19 105.65 2qky n GLY 296 Ca -0.02 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 2qky n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qky s ASP 297 N 0.97 7.39 0.16 1.61 1.11 -1.26 -4.96 116.67 121.69 2qky s ASP 297 Ca 0.00 2.15 -0.03 0.00 0.18 0.00 0.00 52.55 54.85 2qky s ASP 297 Cb 0.00 -2.62 0.01 0.00 1.07 0.00 0.00 42.92 41.38 2qky s ASP 297 CO 0.00 -0.04 0.25 0.00 1.18 0.00 0.00 175.17 176.56 2qky n HIS 298 N 1.26 -1.11 -4.02 4.23 1.44 -1.26 -0.19 115.22 115.57 2qky n HIS 298 Ca -0.01 -0.95 -0.09 0.00 -2.01 0.00 0.00 57.72 54.66 2qky n HIS 298 Cb 0.46 0.29 -0.08 0.00 0.12 0.00 0.00 29.99 30.77 2qky n HIS 298 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2qky s TYR 299 N -4.77 0.53 -0.39 -1.40 2.02 0.34 -4.81 117.35 108.86 2qky s TYR 299 Ca 0.11 -0.93 -0.04 0.00 -0.37 0.00 0.00 57.07 55.84 2qky s TYR 299 Cb -0.01 -0.24 0.09 0.00 -0.40 0.00 0.00 41.96 41.41 2qky s TYR 299 CO 0.08 -0.59 0.18 -1.17 -1.57 0.00 0.00 175.55 172.48 2qky s LEU 300 N -2.97 4.99 0.03 -1.29 2.96 -1.26 -1.61 118.68 119.53 2qky s LEU 300 Ca 0.16 -1.79 0.23 0.00 -0.22 0.00 0.00 54.13 52.51 2qky s LEU 300 Cb 0.05 -1.84 0.08 0.00 0.50 0.00 0.00 46.19 44.99 2qky s LEU 300 CO -0.02 -0.49 1.07 0.00 -1.32 0.00 0.00 176.35 175.58 2qky s ASP 302 N -3.63 -0.43 -0.20 0.00 -1.08 -1.20 -4.84 116.67 105.29 2qky s ASP 302 Ca 0.05 0.07 -0.04 0.00 -0.52 0.00 0.00 52.55 52.12 2qky s ASP 302 Cb 0.15 0.51 0.10 0.00 -1.46 0.00 0.00 42.92 42.22 2qky s ASP 302 CO 0.80 -0.78 0.31 -0.69 0.52 0.00 0.00 175.17 175.32 2qky s VAL 303 N -2.87 -0.48 -0.12 1.11 1.01 -1.26 -2.17 120.40 115.61 2qky s VAL 303 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 2qky s VAL 303 Cb -0.00 -0.69 0.04 0.00 0.00 0.00 0.00 36.38 35.73 2qky s VAL 303 CO -0.05 -0.09 0.03 -0.89 0.00 0.00 0.00 175.10 174.10 2qky s THR 304 N 2.45 0.34 0.41 3.92 2.01 -0.80 -5.00 115.64 118.96 2qky s THR 304 Ca 0.07 -0.13 -0.26 0.00 0.31 0.00 0.00 61.69 61.69 2qky s THR 304 Cb -0.15 -0.69 -0.08 0.00 0.01 0.00 0.00 72.50 71.59 2qky s THR 304 CO -0.13 0.02 1.25 0.26 -0.69 0.00 0.00 174.62 175.33 2qky s TRP 305 N 1.97 2.90 -0.18 4.92 0.52 -1.26 -1.20 118.94 126.61 2qky s TRP 305 Ca 0.03 1.47 -0.01 0.00 0.02 0.00 0.00 56.10 57.60 2qky s TRP 305 Cb -0.14 -3.56 -0.11 0.00 -1.15 0.00 0.00 33.47 28.51 2qky s TRP 305 CO -0.06 -1.80 -0.18 0.00 0.02 0.00 0.00 176.95 174.93 2qky n ALA 306 N 0.06 1.66 -3.17 0.98 0.00 -0.09 -4.88 120.51 115.06 2qky n ALA 306 Ca 0.04 -0.75 -0.10 0.00 0.00 0.00 0.00 53.44 52.64 2qky n ALA 306 Cb 0.45 0.13 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 2qky n ALA 306 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qky s THR 307 N -2.35 0.00 0.63 0.00 -4.23 -0.88 -4.59 115.64 104.22 2qky s THR 307 Ca -0.24 -1.41 0.29 0.00 -1.18 0.00 0.00 61.69 59.15 2qky s THR 307 Cb 0.07 -2.26 0.33 0.00 1.34 0.00 0.00 72.50 71.98 2qky s THR 307 CO 0.39 0.00 1.92 1.56 -0.54 0.00 0.00 174.62 177.95 2qky h GLN 308 N 2.23 0.00 0.00 3.99 1.08 -1.97 -1.36 115.11 119.09 2qky h GLN 308 Ca -0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 2qky h GLN 308 Cb 1.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 2qky h GLN 308 CO 0.36 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.63 2qky n GLU 309 N -3.28 2.15 -4.89 1.46 1.02 -1.26 -4.86 120.64 110.98 2qky n GLU 309 Ca 0.02 -1.23 -0.26 0.00 -0.02 0.00 0.00 57.16 55.67 2qky n GLU 309 Cb 0.49 -0.90 -0.15 0.00 -0.02 0.00 0.00 31.44 30.85 2qky n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2qky s ARG 310 N -0.74 1.54 -0.04 3.49 3.52 -0.51 0.87 118.95 127.08 2qky s ARG 310 Ca 0.00 -0.66 -0.10 0.00 -0.13 0.00 0.00 55.73 54.84 2qky s ARG 310 Cb 0.00 -1.47 0.02 0.00 -1.56 0.00 0.00 34.95 31.94 2qky s ARG 310 CO 0.00 0.39 0.24 -1.50 -0.81 0.00 0.00 175.30 173.61 2qky s ILE 311 N -0.39 0.04 0.11 4.11 2.07 -0.28 -0.91 121.20 125.94 2qky s ILE 311 Ca 0.06 -0.35 0.08 0.00 -1.41 0.00 0.00 60.65 59.03 2qky s ILE 311 Cb -0.08 -0.46 -0.04 0.00 0.13 0.00 0.00 42.46 42.01 2qky s ILE 311 CO -0.00 -0.19 -0.15 -0.94 -1.91 0.00 0.00 174.94 171.74 2qky s SER 312 N -0.76 4.05 -0.04 4.50 1.04 -0.34 -1.76 113.70 120.39 2qky s SER 312 Ca -0.08 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 55.87 2qky s SER 312 Cb -0.05 -0.65 0.02 0.00 0.10 0.00 0.00 66.02 65.45 2qky s SER 312 CO 0.02 0.19 -0.04 -0.76 0.98 0.00 0.00 173.24 173.63 2qky s LEU 313 N -2.10 1.35 -0.19 2.42 1.02 -0.66 -1.90 118.68 118.62 2qky s LEU 313 Ca 0.19 -0.11 -0.05 0.00 0.02 0.00 0.00 54.13 54.18 2qky s LEU 313 Cb -0.11 -0.41 -0.02 0.00 0.02 0.00 0.00 46.19 45.67 2qky s LEU 313 CO 0.11 -0.05 -0.01 -1.10 0.02 0.00 0.00 176.35 175.31 2qky s GLN 314 N 0.86 3.61 0.09 1.70 -0.21 -0.92 -0.43 119.66 124.36 2qky s GLN 314 Ca -0.11 -0.53 0.05 0.00 0.02 0.00 0.00 55.36 54.79 2qky s GLN 314 Cb -0.14 -3.03 -0.04 0.00 1.00 0.00 0.00 33.01 30.80 2qky s GLN 314 CO 0.00 0.06 -0.02 -1.58 -2.12 0.00 0.00 175.29 171.63 2qky s TRP 315 N 0.86 2.94 -0.05 0.91 0.52 0.19 -1.13 118.94 123.18 2qky s TRP 315 Ca 0.00 -0.05 0.04 0.00 0.02 0.00 0.00 56.10 56.11 2qky s TRP 315 Cb -0.14 -1.52 0.00 0.00 -1.15 0.00 0.00 33.47 30.65 2qky s TRP 315 CO 0.02 0.47 -0.16 -1.17 0.02 0.00 0.00 176.95 176.12 2qky s LEU 316 N -2.24 1.86 0.26 2.99 2.96 -0.64 -0.42 118.68 123.46 2qky s LEU 316 Ca 0.24 -0.36 -0.30 0.00 -0.22 0.00 0.00 54.13 53.50 2qky s LEU 316 Cb -0.12 -0.97 -0.09 0.00 0.50 0.00 0.00 46.19 45.51 2qky s LEU 316 CO 0.17 0.12 1.04 -0.13 -1.32 0.00 0.00 176.35 176.23 2qky s ARG 317 N 0.24 4.72 0.35 1.98 0.52 -0.94 -0.51 118.95 125.31 2qky s ARG 317 Ca -0.08 1.68 0.17 0.00 -0.52 0.00 0.00 55.73 56.98 2qky s ARG 317 Cb -0.13 -3.23 1.21 0.00 0.52 0.00 0.00 34.95 33.33 2qky s ARG 317 CO 0.03 0.33 1.55 -2.13 0.02 0.00 0.00 175.30 175.10 2qky n ARG 318 N 1.33 -0.06 -2.94 3.54 0.63 0.74 -1.64 116.66 118.25 2qky n ARG 318 Ca -0.01 1.38 -0.44 0.00 -0.92 0.00 0.00 57.85 57.86 2qky n ARG 318 Cb 0.46 -2.42 -0.04 0.00 0.45 0.00 0.00 32.46 30.90 2qky n ARG 318 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 2qky s ILE 319 N -5.60 4.52 0.00 5.15 1.10 -1.26 -4.90 121.20 120.22 2qky s ILE 319 Ca -0.10 -0.71 -0.02 0.00 -0.51 0.00 0.00 60.65 59.31 2qky s ILE 319 Cb 0.33 -4.64 -0.09 0.00 0.15 0.00 0.00 42.46 38.20 2qky s ILE 319 CO 0.77 -1.37 1.57 0.00 -2.11 0.00 0.00 174.94 173.80 2qky n GLN 320 N 7.15 0.69 -0.15 3.50 6.02 -0.65 -4.07 117.38 129.87 2qky n GLN 320 Ca -0.02 -0.34 0.10 0.00 -0.01 0.00 0.00 57.00 56.73 2qky n GLN 320 Cb 0.45 -1.66 0.16 0.00 1.02 0.00 0.00 30.24 30.22 2qky n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2qky n ASN 321 N 2.77 2.69 -3.65 1.08 0.23 -1.26 -1.52 115.26 115.60 2qky n ASN 321 Ca 0.15 -3.06 -0.02 0.00 -0.53 0.00 0.00 54.58 51.12 2qky n ASN 321 Cb 0.32 -0.45 -0.05 0.00 -2.08 0.00 0.00 39.78 37.52 2qky n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2qky s TYR 322 N -2.84 -1.28 0.19 -2.53 6.14 -1.26 -1.76 117.35 114.02 2qky s TYR 322 Ca 0.34 2.28 0.03 0.00 0.64 0.00 0.00 57.07 60.36 2qky s TYR 322 Cb 0.29 0.77 -0.05 0.00 0.42 0.00 0.00 41.96 43.39 2qky s TYR 322 CO 0.04 -0.64 -0.02 -1.54 0.64 0.00 0.00 175.55 174.03 2qky s SER 323 N 2.64 1.61 -0.03 4.32 1.04 -0.41 -2.22 113.70 120.64 2qky s SER 323 Ca -0.07 -1.16 -0.03 0.00 0.48 0.00 0.00 55.95 55.18 2qky s SER 323 Cb -0.11 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.07 2qky s SER 323 CO -0.19 -0.49 0.08 -0.69 0.98 0.00 0.00 173.24 172.93 2qky s VAL 324 N -3.48 -0.01 -0.19 5.02 1.01 0.44 -2.32 120.40 120.87 2qky s VAL 324 Ca 0.24 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.22 2qky s VAL 324 Cb 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.27 2qky s VAL 324 CO 0.05 0.02 -0.01 -0.32 0.00 0.00 0.00 175.10 174.84 2qky s MET 325 N 0.28 3.64 -0.12 2.72 1.75 -0.12 0.55 119.30 128.00 2qky s MET 325 Ca -0.02 -0.51 -0.06 0.00 -1.25 0.00 0.00 55.69 53.85 2qky s MET 325 Cb -0.03 -3.03 -0.04 0.00 2.84 0.00 0.00 34.83 34.57 2qky s MET 325 CO -0.01 0.09 0.11 -0.51 -0.65 0.00 0.00 175.02 174.04 2qky s ASP 326 N 0.79 6.09 -0.28 1.11 1.11 0.43 -1.92 116.67 124.00 2qky s ASP 326 Ca -0.00 0.37 0.01 0.00 0.18 0.00 0.00 52.55 53.11 2qky s ASP 326 Cb -0.14 -1.94 0.06 0.00 1.07 0.00 0.00 42.92 41.97 2qky s ASP 326 CO 0.02 0.38 -0.06 -0.63 1.18 0.00 0.00 175.17 176.06 2qky s ILE 327 N -0.86 2.47 -0.04 0.77 1.01 -1.26 -1.65 121.20 121.65 2qky s ILE 327 Ca 0.14 -1.61 0.06 0.00 0.00 0.00 0.00 60.65 59.23 2qky s ILE 327 Cb -0.12 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 2qky s ILE 327 CO 0.03 -0.11 -0.21 0.00 0.00 0.00 0.00 174.94 174.65 2qky s ASP 329 N -0.51 3.78 0.23 0.00 1.11 -0.61 -1.13 116.67 119.54 2qky s ASP 329 Ca 0.07 -0.83 -0.30 0.00 0.18 0.00 0.00 52.55 51.66 2qky s ASP 329 Cb -0.11 -0.43 -0.09 0.00 1.07 0.00 0.00 42.92 43.36 2qky s ASP 329 CO 0.01 0.08 0.98 -0.47 1.18 0.00 0.00 175.17 176.94 2qky s TYR 330 N -2.01 3.88 -0.39 4.23 5.04 0.25 -1.63 117.35 126.72 2qky s TYR 330 Ca 0.26 1.86 -0.09 0.00 -2.44 0.00 0.00 57.07 56.65 2qky s TYR 330 Cb -0.07 -3.05 0.06 0.00 0.35 0.00 0.00 41.96 39.25 2qky s TYR 330 CO 0.14 0.22 0.22 0.34 -1.34 0.00 0.00 175.55 175.12 2qky s ASP 331 N -0.96 5.60 0.28 4.32 -1.08 -0.61 -4.94 116.67 119.28 2qky s ASP 331 Ca 0.43 -1.33 -0.05 0.00 -0.52 0.00 0.00 52.55 51.07 2qky s ASP 331 Cb -0.27 -1.97 0.53 0.00 -1.46 0.00 0.00 42.92 39.75 2qky s ASP 331 CO 0.33 -0.47 1.58 -0.08 0.52 0.00 0.00 175.17 177.06 2qky h GLU 332 N 8.38 0.01 0.00 4.34 4.57 -1.96 0.25 114.58 130.18 2qky h GLU 332 Ca -0.23 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2qky h GLU 332 Cb 1.09 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 2qky h GLU 332 CO 0.71 0.01 -0.00 0.66 -1.18 0.00 0.00 179.01 179.21 2qky h SER 333 N 0.02 -0.00 -0.08 1.04 4.64 -1.96 -3.37 113.55 113.82 2qky h SER 333 Ca 0.49 -0.76 0.04 0.00 -0.47 0.00 0.00 61.79 61.09 2qky h SER 333 Cb 0.86 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.91 2qky h SER 333 CO -0.92 0.87 -0.18 -1.28 -0.87 0.00 0.00 176.83 174.45 2qky h SER 334 N -1.00 -0.56 0.00 4.97 0.87 -1.95 -3.46 113.55 112.42 2qky h SER 334 Ca -0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2qky h SER 334 Cb 0.76 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2qky h SER 334 CO 0.00 -0.24 0.00 0.61 -0.53 0.00 0.00 176.83 176.67 2qky n GLY 335 N -1.32 0.80 3.71 5.77 0.00 0.06 -5.06 105.19 109.15 2qky n GLY 335 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2qky n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qky s ARG 336 N -0.66 2.11 -0.07 1.61 1.81 -1.26 -4.94 118.95 117.56 2qky s ARG 336 Ca 0.00 -2.30 0.02 0.00 -1.72 0.00 0.00 55.73 51.72 2qky s ARG 336 Cb 0.00 -1.55 -0.03 0.00 -0.45 0.00 0.00 34.95 32.92 2qky s ARG 336 CO 0.00 -0.26 -0.10 -1.58 -0.68 0.00 0.00 175.30 172.68 2qky s TRP 337 N -2.83 2.85 -0.02 -0.53 0.52 -1.26 -1.57 118.94 116.09 2qky s TRP 337 Ca 0.16 -0.08 0.06 0.00 0.02 0.00 0.00 56.10 56.25 2qky s TRP 337 Cb 0.04 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.66 2qky s TRP 337 CO 0.08 0.24 -0.21 -0.80 0.02 0.00 0.00 176.95 176.28 2qky s ASN 338 N -0.69 2.51 -0.33 2.95 -0.87 -0.65 -4.95 114.94 112.91 2qky s ASN 338 Ca 0.10 -0.39 0.01 0.00 -1.57 0.00 0.00 52.86 51.01 2qky s ASN 338 Cb -0.11 -0.36 0.08 0.00 -0.02 0.00 0.00 41.25 40.84 2qky s ASN 338 CO 0.01 0.25 0.05 0.00 -2.57 0.00 0.00 177.10 174.84 2qky s LEU 340 N 1.08 4.42 0.00 0.00 1.43 -1.25 -4.91 118.68 119.45 2qky s LEU 340 Ca 0.03 2.53 0.18 0.00 -1.03 0.00 0.00 54.13 55.84 2qky s LEU 340 Cb -0.20 -3.63 0.77 0.00 0.03 0.00 0.00 46.19 43.16 2qky s LEU 340 CO -0.05 -0.53 1.58 0.55 0.23 0.00 0.00 176.35 178.12 2qky n VAL 341 N 1.89 0.75 1.43 -1.59 3.14 -1.26 -1.54 118.33 121.15 2qky n VAL 341 Ca 0.04 0.19 0.14 0.00 -2.96 0.00 0.00 64.34 61.74 2qky n VAL 341 Cb 0.42 -0.88 0.48 0.00 -1.06 0.00 0.00 33.84 32.80 2qky n VAL 341 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qky n ALA 342 N -1.50 2.56 -0.08 1.55 0.00 -1.26 -3.63 120.51 118.15 2qky n ALA 342 Ca 0.04 -0.48 0.05 0.00 0.00 0.00 0.00 53.44 53.06 2qky n ALA 342 Cb 0.21 -1.13 0.13 0.00 0.00 0.00 0.00 19.45 18.67 2qky n ALA 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qky n ARG 343 N 0.30 2.55 -2.14 0.00 1.74 -0.59 -4.66 116.66 113.87 2qky n ARG 343 Ca 0.18 -1.91 -0.30 0.00 -0.77 0.00 0.00 57.85 55.05 2qky n ARG 343 Cb 0.38 -1.25 0.01 0.00 -1.02 0.00 0.00 32.46 30.57 2qky n ARG 343 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qky s GLN 344 N -0.99 3.59 -0.07 5.56 -0.21 -1.24 -4.05 119.66 122.26 2qky s GLN 344 Ca 0.21 0.57 -0.03 0.00 0.02 0.00 0.00 55.36 56.13 2qky s GLN 344 Cb 0.11 -2.18 0.04 0.00 1.00 0.00 0.00 33.01 31.98 2qky s GLN 344 CO 0.15 -0.44 0.13 -1.01 -2.12 0.00 0.00 175.29 172.00 2qky s HIS 345 N -3.02 -0.11 0.03 0.91 3.76 -0.81 -4.90 115.29 111.14 2qky s HIS 345 Ca 0.53 0.49 -0.05 0.00 -0.15 0.00 0.00 55.06 55.88 2qky s HIS 345 Cb -0.11 -0.29 -0.05 0.00 1.11 0.00 0.00 32.58 33.25 2qky s HIS 345 CO 0.51 -0.23 0.25 0.42 -0.85 0.00 0.00 174.74 174.84 2qky s ILE 346 N 2.05 5.33 -0.05 0.60 1.01 -1.26 -0.95 121.20 127.92 2qky s ILE 346 Ca 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.64 2qky s ILE 346 Cb -0.12 -3.57 0.03 0.00 0.01 0.00 0.00 42.46 38.80 2qky s ILE 346 CO -0.05 0.29 0.03 -0.70 0.00 0.00 0.00 174.94 174.51 2qky s GLU 347 N -2.01 0.25 0.34 2.79 2.12 -0.98 -5.01 118.70 116.20 2qky s GLU 347 Ca 0.30 0.24 0.04 0.00 0.36 0.00 0.00 54.97 55.91 2qky s GLU 347 Cb -0.13 -0.71 -0.03 0.00 0.26 0.00 0.00 34.13 33.51 2qky s GLU 347 CO 0.19 -0.31 0.15 0.00 -0.54 0.00 0.00 175.26 174.76 2qky s MET 348 N 2.01 1.72 -0.14 4.30 0.23 -1.26 -1.29 119.30 124.86 2qky s MET 348 Ca 0.04 -2.00 -0.09 0.00 -1.03 0.00 0.00 55.69 52.60 2qky s MET 348 Cb -0.12 -0.29 0.05 0.00 -1.53 0.00 0.00 34.83 32.94 2qky s MET 348 CO -0.04 -0.45 0.35 0.45 -2.03 0.00 0.00 175.02 173.30 2qky s SER 349 N -3.46 -0.41 -0.01 -1.18 0.15 -0.72 -4.98 113.70 103.10 2qky s SER 349 Ca 0.32 0.74 0.18 0.00 0.70 0.00 0.00 55.95 57.90 2qky s SER 349 Cb 0.04 0.67 -0.21 0.00 -1.71 0.00 0.00 66.02 64.81 2qky s SER 349 CO 0.17 -0.16 0.68 0.35 1.20 0.00 0.00 173.24 175.48 2qky n THR 350 N 3.75 0.00 0.51 6.45 -2.24 -1.26 -4.34 114.28 117.15 2qky n THR 350 Ca -0.20 -0.16 0.09 0.00 -2.27 0.00 0.00 64.05 61.52 2qky n THR 350 Cb 0.56 0.79 -0.13 0.00 -2.10 0.00 0.00 70.33 69.45 2qky n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qky n THR 351 N -1.58 0.00 -0.01 4.28 -2.24 -1.26 -5.07 114.28 108.39 2qky n THR 351 Ca 0.02 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2qky n THR 351 Cb 0.32 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 2qky n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qky n GLY 352 N 1.42 2.54 3.98 3.38 0.00 -1.26 -4.82 105.19 110.43 2qky n GLY 352 Ca 0.01 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 2qky n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2qky s TRP 353 N 0.40 2.84 -0.03 1.61 -2.14 -1.26 -4.45 118.94 115.92 2qky s TRP 353 Ca 0.00 -0.38 -0.21 0.00 2.66 0.00 0.00 56.10 58.16 2qky s TRP 353 Cb 0.00 -2.28 -0.05 0.00 -3.10 0.00 0.00 33.47 28.05 2qky s TRP 353 CO 0.00 -0.30 0.63 0.08 -2.66 0.00 0.00 176.95 174.70 2qky s VAL 354 N -2.34 4.97 0.42 -0.66 1.01 -0.57 -4.85 120.40 118.38 2qky s VAL 354 Ca 0.52 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.80 2qky s VAL 354 Cb -0.09 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2qky s VAL 354 CO 0.32 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.38 2qky n GLY 355 N 2.74 -3.74 0.32 4.51 0.00 -1.26 -3.33 105.19 104.43 2qky n GLY 355 Ca -0.05 -0.97 0.14 0.00 0.00 0.00 0.00 46.02 45.14 2qky n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qky h ARG 356 N 0.16 0.09 0.00 1.61 3.08 -1.95 -3.29 114.38 114.09 2qky h ARG 356 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2qky h ARG 356 Cb 0.67 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2qky h ARG 356 CO 0.00 0.06 -0.52 1.19 -1.07 0.00 0.00 179.97 179.63 2qky n PHE 357 N -5.35 0.00 -3.54 3.04 3.72 -1.26 -4.91 117.46 109.16 2qky n PHE 357 Ca 0.23 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.47 2qky n PHE 357 Cb 0.74 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.22 2qky n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2qky s ARG 358 N -1.52 0.92 0.20 -1.08 1.70 -1.24 -4.97 118.95 112.97 2qky s ARG 358 Ca 0.00 0.23 -0.30 0.00 -0.47 0.00 0.00 55.73 55.19 2qky s ARG 358 Cb 0.00 0.44 -0.16 0.00 -0.57 0.00 0.00 34.95 34.65 2qky s ARG 358 CO 0.00 -0.29 0.83 -2.30 -1.08 0.00 0.00 175.30 172.46 2qky n PRO 359 N 0.86 0.60 -0.89 3.89 -0.02 -1.21 -4.47 135.00 133.75 2qky n PRO 359 Ca -0.16 0.21 -0.28 0.00 -2.02 0.00 0.00 63.50 61.24 2qky n PRO 359 Cb 0.57 -1.46 0.21 0.00 -0.02 0.00 0.00 33.50 32.81 2qky n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qky s SER 360 N -0.60 1.84 0.12 2.55 1.04 -1.26 -4.95 113.70 112.45 2qky s SER 360 Ca 0.67 1.32 -0.03 0.00 0.48 0.00 0.00 55.95 58.39 2qky s SER 360 Cb -0.88 -2.04 -0.05 0.00 0.10 0.00 0.00 66.02 63.15 2qky s SER 360 CO 0.57 -3.64 0.32 -1.83 0.98 0.00 0.00 173.24 169.64 2qky s GLU 361 N -4.74 3.55 0.29 4.02 1.03 -1.26 -4.92 118.70 116.67 2qky s GLU 361 Ca 0.67 -0.22 -0.12 0.00 0.03 0.00 0.00 54.97 55.33 2qky s GLU 361 Cb -0.21 -2.91 -0.08 0.00 -0.80 0.00 0.00 34.13 30.13 2qky s GLU 361 CO 0.61 0.51 0.65 -1.25 -1.33 0.00 0.00 175.26 174.45 2qky s PRO 362 N -2.66 3.87 -0.33 -4.83 0.04 -1.26 -4.50 135.00 125.33 2qky s PRO 362 Ca 0.39 0.45 0.02 0.00 0.04 0.00 0.00 61.00 61.89 2qky s PRO 362 Cb -0.12 -2.53 0.10 0.00 0.04 0.00 0.00 34.50 31.99 2qky s PRO 362 CO 0.26 0.21 0.07 -1.01 0.04 0.00 0.00 177.00 176.57 2qky s HIS 363 N -1.96 2.87 0.92 0.56 3.76 -0.59 -4.95 115.29 115.91 2qky s HIS 363 Ca 0.50 -2.46 -0.13 0.00 -0.15 0.00 0.00 55.06 52.83 2qky s HIS 363 Cb -0.11 -2.40 0.15 0.00 1.11 0.00 0.00 32.58 31.33 2qky s HIS 363 CO 0.21 -0.92 1.15 -0.06 -0.85 0.00 0.00 174.74 174.28 2qky s PHE 364 N 1.20 2.37 -0.01 1.40 0.40 -1.26 -0.33 117.98 121.75 2qky s PHE 364 Ca 0.11 0.79 -0.03 0.00 -0.60 0.00 0.00 56.93 57.19 2qky s PHE 364 Cb -0.18 -3.45 -0.04 0.00 0.51 0.00 0.00 43.02 39.86 2qky s PHE 364 CO -0.15 -2.43 0.19 0.95 0.70 0.00 0.00 175.22 174.48 2qky s THR 365 N -3.33 5.42 0.02 0.64 -4.23 -0.20 -4.87 115.64 109.09 2qky s THR 365 Ca 0.65 -0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 61.00 2qky s THR 365 Cb -0.13 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.16 2qky s THR 365 CO 0.53 0.33 0.16 -0.11 -0.54 0.00 0.00 174.62 174.98 2qky n LEU 366 N 0.95 -0.10 0.25 4.79 7.94 -1.26 0.45 117.00 130.03 2qky n LEU 366 Ca -0.11 0.18 0.14 0.00 -1.11 0.00 0.00 56.01 55.11 2qky n LEU 366 Cb 0.53 -0.03 0.62 0.00 0.53 0.00 0.00 43.42 45.07 2qky n LEU 366 CO 0.44 -0.15 0.92 -2.24 -1.11 0.00 0.00 177.39 175.25 2qky h ASP 367 N 0.00 0.00 -1.33 1.96 3.04 -1.94 -3.46 116.42 114.69 2qky h ASP 367 Ca 0.02 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.77 2qky h ASP 367 Cb 0.05 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.35 2qky h ASP 367 CO -0.10 0.12 -0.07 0.61 -2.04 0.00 0.00 179.24 177.76 2qky n GLY 368 N -0.09 0.73 0.21 7.15 0.00 1.60 -4.89 105.19 109.90 2qky n GLY 368 Ca -0.00 -0.61 0.03 0.00 0.00 0.00 0.00 46.02 45.43 2qky n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qky n ASN 369 N 1.11 1.58 -3.63 1.61 3.02 -1.26 -4.89 115.26 112.79 2qky n ASN 369 Ca -0.00 -1.34 -0.12 0.00 -0.03 0.00 0.00 54.58 53.09 2qky n ASN 369 Cb 0.51 -0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.59 2qky n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2qky s SER 370 N -0.51 -0.79 0.19 6.41 1.04 -1.26 0.10 113.70 118.87 2qky s SER 370 Ca 0.07 1.46 0.01 0.00 0.48 0.00 0.00 55.95 57.97 2qky s SER 370 Cb 0.04 1.45 -0.05 0.00 0.10 0.00 0.00 66.02 67.57 2qky s SER 370 CO 0.06 -0.25 0.05 0.72 0.98 0.00 0.00 173.24 174.80 2qky s PHE 371 N 0.66 1.22 -0.13 5.02 -0.12 0.12 -1.04 117.98 123.71 2qky s PHE 371 Ca -0.02 -1.14 0.00 0.00 -0.05 0.00 0.00 56.93 55.72 2qky s PHE 371 Cb -0.05 -0.69 -0.01 0.00 -0.63 0.00 0.00 43.02 41.64 2qky s PHE 371 CO -0.04 -0.34 -0.14 0.71 -0.05 0.00 0.00 175.22 175.36 2qky s TYR 372 N -3.81 2.80 -0.00 3.49 1.51 0.55 -0.44 117.35 121.45 2qky s TYR 372 Ca 0.29 -0.71 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 2qky s TYR 372 Cb 0.07 -1.85 -0.00 0.00 -0.11 0.00 0.00 41.96 40.07 2qky s TYR 372 CO 0.07 -0.26 -0.01 0.21 -1.11 0.00 0.00 175.55 174.45 2qky s LYS 373 N 0.42 0.10 0.03 -0.62 2.20 -0.86 -1.54 119.74 119.48 2qky s LYS 373 Ca -0.11 -0.06 -0.27 0.00 -0.36 0.00 0.00 55.97 55.17 2qky s LYS 373 Cb -0.16 -0.09 -0.05 0.00 -1.51 0.00 0.00 37.83 36.03 2qky s LYS 373 CO 0.05 0.02 0.86 0.42 -0.36 0.00 0.00 175.35 176.35 2qky s ILE 374 N -0.08 4.76 0.08 5.43 1.01 -1.26 -1.64 121.20 129.51 2qky s ILE 374 Ca -0.00 1.83 -0.14 0.00 0.00 0.00 0.00 60.65 62.34 2qky s ILE 374 Cb -0.01 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.27 2qky s ILE 374 CO -0.00 0.28 0.31 0.27 0.00 0.00 0.00 174.94 175.81 2qky s ILE 375 N 0.37 0.09 0.04 2.92 -4.36 -0.61 -4.40 121.20 115.25 2qky s ILE 375 Ca 0.44 -0.76 -0.30 0.00 -0.26 0.00 0.00 60.65 59.77 2qky s ILE 375 Cb -0.21 -1.12 -0.05 0.00 1.25 0.00 0.00 42.46 42.33 2qky s ILE 375 CO 0.25 -0.42 1.17 -0.55 0.24 0.00 0.00 174.94 175.63 2qky s SER 376 N -2.51 7.12 0.00 4.36 0.15 -1.26 -0.44 113.70 121.12 2qky s SER 376 Ca 0.00 1.95 0.00 0.00 0.70 0.00 0.00 55.95 58.60 2qky s SER 376 Cb 0.02 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2qky s SER 376 CO -0.08 -0.45 0.00 -0.46 1.20 0.00 0.00 173.24 173.45 2qky n ASN 377 N 4.02 0.00 0.18 5.45 0.23 -0.40 -4.77 115.26 119.97 2qky n ASN 377 Ca 0.09 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.20 2qky n ASN 377 Cb 0.47 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.42 2qky n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2qky h GLU 378 N 0.00 0.00 -0.01 -3.83 4.39 -1.96 -2.77 114.58 110.40 2qky h GLU 378 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2qky h GLU 378 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2qky h GLU 378 CO 0.00 0.36 -0.19 0.39 -1.16 0.00 0.00 179.01 178.41 2qky n GLU 379 N -3.35 0.84 -1.27 2.33 -0.58 -1.26 -4.92 120.64 112.43 2qky n GLU 379 Ca 0.01 -0.43 0.00 0.00 -0.42 0.00 0.00 57.16 56.32 2qky n GLU 379 Cb 0.57 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 2qky n GLU 379 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qky n GLY 380 N 1.31 0.78 3.16 0.62 0.00 -1.04 -4.60 105.19 105.41 2qky n GLY 380 Ca 0.13 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 2qky n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qky s TYR 381 N -2.00 2.97 0.05 1.61 1.51 -1.26 0.15 117.35 120.38 2qky s TYR 381 Ca 0.00 -1.62 -0.30 0.00 -1.01 0.00 0.00 57.07 54.14 2qky s TYR 381 Cb 0.00 -1.99 -0.08 0.00 -0.11 0.00 0.00 41.96 39.78 2qky s TYR 381 CO 0.00 -0.76 1.70 1.03 -1.11 0.00 0.00 175.55 176.42 2qky s ARG 382 N 1.30 4.18 0.03 -0.62 0.52 -1.26 -1.28 118.95 121.83 2qky s ARG 382 Ca 0.02 2.36 0.00 0.00 -0.52 0.00 0.00 55.73 57.59 2qky s ARG 382 Cb -0.15 -3.74 -0.00 0.00 0.52 0.00 0.00 34.95 31.58 2qky s ARG 382 CO -0.08 -0.79 0.02 0.72 0.02 0.00 0.00 175.30 175.19 2qky n HIS 383 N 6.12 -0.02 -3.44 -0.53 8.25 0.41 -1.73 115.22 124.28 2qky n HIS 383 Ca 0.17 -0.22 -0.40 0.00 -0.26 0.00 0.00 57.72 57.00 2qky n HIS 383 Cb 0.41 0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.43 2qky n HIS 383 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qky s ILE 384 N -1.86 5.20 0.02 1.59 1.01 -1.26 -1.57 121.20 124.33 2qky s ILE 384 Ca 0.02 0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.73 2qky s ILE 384 Cb 0.00 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 2qky s ILE 384 CO 0.02 -0.03 0.13 0.00 0.00 0.00 0.00 174.94 175.06 2qky s TYR 386 N -1.31 3.14 -0.07 0.00 5.04 0.32 -2.02 117.35 122.46 2qky s TYR 386 Ca 0.27 -0.16 0.04 0.00 -2.44 0.00 0.00 57.07 54.79 2qky s TYR 386 Cb -0.12 -2.09 -0.02 0.00 0.35 0.00 0.00 41.96 40.08 2qky s TYR 386 CO 0.19 -0.03 -0.19 -0.06 -1.34 0.00 0.00 175.55 174.11 2qky s PHE 387 N 0.70 2.58 -0.17 4.97 0.08 0.41 -0.98 117.98 125.58 2qky s PHE 387 Ca 0.02 -0.50 -0.11 0.00 0.12 0.00 0.00 56.93 56.46 2qky s PHE 387 Cb -0.14 -1.65 -0.05 0.00 -0.57 0.00 0.00 43.02 40.62 2qky s PHE 387 CO 0.02 -0.07 0.18 -1.14 -0.10 0.00 0.00 175.22 174.11 2qky s GLN 388 N -0.29 4.10 0.66 0.44 2.00 -1.26 0.10 119.66 125.41 2qky s GLN 388 Ca 0.01 -0.10 0.23 0.00 -2.00 0.00 0.00 55.36 53.50 2qky s GLN 388 Cb -0.13 -3.38 1.25 0.00 0.80 0.00 0.00 33.01 31.55 2qky s GLN 388 CO 0.03 0.36 1.71 -0.84 -0.50 0.00 0.00 175.29 176.04 2qky h ILE 389 N 4.55 0.03 -0.01 -2.34 3.07 -0.69 -2.28 117.51 119.85 2qky h ILE 389 Ca -0.43 0.00 -0.10 0.00 1.55 0.00 0.00 64.86 65.88 2qky h ILE 389 Cb 1.17 0.50 -0.20 0.00 -0.27 0.00 0.00 36.82 38.02 2qky h ILE 389 CO 0.73 0.00 -0.78 -0.90 -1.05 0.00 0.00 178.15 176.15 2qky n ASP 390 N -2.89 1.39 -3.99 2.16 5.75 -1.26 -4.61 116.55 113.09 2qky n ASP 390 Ca 0.00 -2.95 -0.31 0.00 -0.01 0.00 0.00 54.79 51.52 2qky n ASP 390 Cb 0.57 -0.41 -0.15 0.00 -1.03 0.00 0.00 41.12 40.09 2qky n ASP 390 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2qky s LYS 391 N -1.65 1.66 0.34 0.11 -0.14 -0.86 -4.93 119.74 114.27 2qky s LYS 391 Ca 0.36 -1.50 0.10 0.00 -1.36 0.00 0.00 55.97 53.58 2qky s LYS 391 Cb 0.38 -2.90 1.01 0.00 -1.68 0.00 0.00 37.83 34.65 2qky s LYS 391 CO -0.12 -0.78 1.58 0.87 -0.76 0.00 0.00 175.35 176.14 2qky h LYS 392 N 7.76 0.02 -6.33 1.68 1.79 -1.90 -3.41 116.57 116.18 2qky h LYS 392 Ca -0.12 -0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.80 2qky h LYS 392 Cb 1.03 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.65 2qky h LYS 392 CO 0.48 0.01 -0.20 -0.51 -1.08 0.00 0.00 179.45 178.15 2qky s ASP 393 N -4.80 6.56 0.51 0.86 1.01 -1.26 -4.96 116.67 114.59 2qky s ASP 393 Ca -0.11 0.77 0.07 0.00 0.71 0.00 0.00 52.55 53.99 2qky s ASP 393 Cb 0.31 -2.17 0.02 0.00 1.01 0.00 0.00 42.92 42.10 2qky s ASP 393 CO 0.78 -0.02 0.43 0.00 0.21 0.00 0.00 175.17 176.56 2qky s THR 395 N -2.68 0.58 0.53 0.00 2.01 -0.15 -4.85 115.64 111.09 2qky s THR 395 Ca 0.41 -0.02 -0.21 0.00 0.31 0.00 0.00 61.69 62.18 2qky s THR 395 Cb -0.02 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 2qky s THR 395 CO 0.25 0.28 1.22 -0.36 -0.69 0.00 0.00 174.62 175.32 2qky s PHE 396 N 1.89 2.55 -0.10 4.92 0.08 -1.26 0.12 117.98 126.17 2qky s PHE 396 Ca 0.05 1.49 0.15 0.00 0.12 0.00 0.00 56.93 58.74 2qky s PHE 396 Cb -0.12 -3.51 0.23 0.00 -0.57 0.00 0.00 43.02 39.04 2qky s PHE 396 CO -0.06 -2.09 1.11 0.44 -0.10 0.00 0.00 175.22 174.52 2qky n ILE 397 N -1.06 1.53 -3.50 0.64 -5.35 0.34 -4.83 119.36 107.13 2qky n ILE 397 Ca 0.11 -1.83 -0.13 0.00 -0.27 0.00 0.00 62.75 60.62 2qky n ILE 397 Cb 0.48 -0.08 -0.04 0.00 -1.74 0.00 0.00 39.64 38.27 2qky n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2qky s THR 398 N -2.31 0.02 0.10 7.28 -4.23 -1.26 -4.92 115.64 110.32 2qky s THR 398 Ca 0.25 -0.13 -0.26 0.00 -1.18 0.00 0.00 61.69 60.38 2qky s THR 398 Cb 0.22 -1.01 0.08 0.00 1.34 0.00 0.00 72.50 73.13 2qky s THR 398 CO 0.02 -0.07 0.80 -1.59 -0.54 0.00 0.00 174.62 173.24 2qky s LYS 399 N -2.93 1.12 0.00 3.99 -2.85 -1.26 -4.73 119.74 113.08 2qky s LYS 399 Ca -0.03 -0.48 0.00 0.00 -1.00 0.00 0.00 55.97 54.46 2qky s LYS 399 Cb -0.00 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 2qky s LYS 399 CO -0.06 -0.50 0.00 0.41 0.10 0.00 0.00 175.35 175.31 2qky n GLY 400 N -0.35 1.43 2.58 0.59 0.00 -1.26 -4.89 105.19 103.29 2qky n GLY 400 Ca -0.10 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 2qky n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qky n THR 401 N -1.90 5.70 -3.77 2.61 -2.24 -1.26 -4.86 114.28 108.55 2qky n THR 401 Ca 0.00 -5.26 -0.09 0.00 -2.27 0.00 0.00 64.05 56.43 2qky n THR 401 Cb 0.00 -1.75 0.01 0.00 -2.10 0.00 0.00 70.33 66.49 2qky n THR 401 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2qky n TRP 402 N 0.64 -1.84 -4.01 4.78 4.27 -1.26 -5.02 117.44 115.00 2qky n TRP 402 Ca 0.53 -1.70 -0.09 0.00 -3.89 0.00 0.00 57.50 52.35 2qky n TRP 402 Cb 0.26 0.66 -0.08 0.00 -1.36 0.00 0.00 31.31 30.79 2qky n TRP 402 CO 0.00 0.00 0.00 -1.21 -2.29 0.00 0.00 177.69 174.19 2qky s GLU 403 N -2.29 1.05 -0.21 -2.67 2.02 -1.26 -4.59 118.70 110.76 2qky s GLU 403 Ca 0.17 -1.24 -0.11 0.00 0.02 0.00 0.00 54.97 53.82 2qky s GLU 403 Cb -0.03 0.33 -0.05 0.00 0.10 0.00 0.00 34.13 34.48 2qky s GLU 403 CO 0.13 -0.35 0.16 0.08 0.02 0.00 0.00 175.26 175.29 2qky s VAL 404 N -3.98 5.38 -0.01 2.63 1.01 -0.71 -2.61 120.40 122.11 2qky s VAL 404 Ca 0.18 0.23 -0.19 0.00 0.00 0.00 0.00 61.98 62.20 2qky s VAL 404 Cb 0.05 -3.50 -0.33 0.00 0.00 0.00 0.00 36.38 32.59 2qky s VAL 404 CO -0.01 0.40 0.94 0.40 0.00 0.00 0.00 175.10 176.84 2qky h ILE 405 N 4.78 1.41 -1.35 2.22 1.08 -1.22 -3.46 117.51 120.98 2qky h ILE 405 Ca -0.40 -2.61 0.14 0.00 -0.39 0.00 0.00 64.86 61.60 2qky h ILE 405 Cb 1.16 3.14 -0.26 0.00 -3.07 0.00 0.00 36.82 37.78 2qky h ILE 405 CO 0.73 0.76 0.70 -0.83 -0.69 0.00 0.00 178.15 178.82 2qky s GLY 406 N -4.50 -0.05 -0.23 5.37 0.00 -1.11 -5.01 107.32 101.78 2qky s GLY 406 Ca -0.12 2.59 -0.29 0.00 0.00 0.00 0.00 44.72 46.90 2qky s GLY 406 CO 0.88 1.31 1.22 -0.42 0.00 0.00 0.00 173.10 176.10 2qky s ILE 407 N -0.70 4.32 -0.09 0.90 1.01 -1.26 -1.92 121.20 123.46 2qky s ILE 407 Ca 0.03 1.56 0.01 0.00 0.00 0.00 0.00 60.65 62.26 2qky s ILE 407 Cb -0.02 -4.13 -0.25 0.00 0.01 0.00 0.00 42.46 38.07 2qky s ILE 407 CO -0.05 -0.27 0.48 -0.62 0.00 0.00 0.00 174.94 174.48 2qky n GLU 408 N 6.79 0.71 -3.57 2.79 -0.58 0.85 -4.94 120.64 122.69 2qky n GLU 408 Ca 0.14 0.27 -0.15 0.00 -0.42 0.00 0.00 57.16 57.00 2qky n GLU 408 Cb 0.46 -1.74 -0.06 0.00 -0.57 0.00 0.00 31.44 29.53 2qky n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qky s ALA 409 N -2.57 -1.82 -0.15 0.62 0.00 -0.95 -4.95 121.76 111.94 2qky s ALA 409 Ca -0.15 1.58 0.01 0.00 0.00 0.00 0.00 51.96 53.40 2qky s ALA 409 Cb 0.07 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.67 2qky s ALA 409 CO 0.79 -0.34 -0.18 -1.17 0.00 0.00 0.00 175.76 174.86 2qky s LEU 410 N -0.70 2.31 0.54 0.00 2.96 -1.26 -0.42 118.68 122.12 2qky s LEU 410 Ca -0.06 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.36 2qky s LEU 410 Cb -0.02 -1.51 0.03 0.00 0.50 0.00 0.00 46.19 45.19 2qky s LEU 410 CO 0.05 0.08 0.27 0.42 -1.32 0.00 0.00 176.35 175.85 2qky s THR 411 N 0.81 1.43 -1.04 3.68 -4.23 0.77 -5.00 115.64 112.06 2qky s THR 411 Ca -0.06 -1.67 0.28 0.00 -1.18 0.00 0.00 61.69 59.06 2qky s THR 411 Cb -0.15 -2.09 0.20 0.00 1.34 0.00 0.00 72.50 71.79 2qky s THR 411 CO -0.01 0.00 1.80 -1.54 -0.54 0.00 0.00 174.62 174.33 2qky n SER 412 N -1.62 0.15 -0.00 3.99 3.41 -1.26 -3.68 113.62 114.61 2qky n SER 412 Ca -0.08 0.24 0.01 0.00 -0.26 0.00 0.00 58.87 58.77 2qky n SER 412 Cb 0.65 -0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 64.31 2qky n SER 412 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2qky n ASP 413 N -1.47 1.85 -3.80 4.04 8.00 -1.26 -4.97 116.55 118.94 2qky n ASP 413 Ca 0.07 -0.33 -0.09 0.00 0.71 0.00 0.00 54.79 55.15 2qky n ASP 413 Cb 0.33 1.03 -0.06 0.00 -0.02 0.00 0.00 41.12 42.40 2qky n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2qky s TYR 414 N -1.54 0.07 -0.09 1.24 1.51 -1.24 -3.18 117.35 114.11 2qky s TYR 414 Ca 0.00 -0.45 0.03 0.00 -1.01 0.00 0.00 57.07 55.64 2qky s TYR 414 Cb 0.01 0.06 0.01 0.00 -0.11 0.00 0.00 41.96 41.93 2qky s TYR 414 CO 0.07 -0.64 -0.18 -1.17 -1.11 0.00 0.00 175.55 172.53 2qky s LEU 415 N -2.86 1.86 -0.13 -1.29 0.20 -1.07 -0.16 118.68 115.23 2qky s LEU 415 Ca 0.06 -0.44 -0.03 0.00 0.69 0.00 0.00 54.13 54.41 2qky s LEU 415 Cb 0.03 -1.14 -0.03 0.00 -0.43 0.00 0.00 46.19 44.62 2qky s LEU 415 CO -0.09 0.08 -0.00 -0.31 -0.29 0.00 0.00 176.35 175.74 2qky s TYR 416 N 0.61 3.13 0.18 5.38 1.51 0.44 -1.32 117.35 127.26 2qky s TYR 416 Ca -0.14 0.01 -0.16 0.00 -1.01 0.00 0.00 57.07 55.76 2qky s TYR 416 Cb -0.16 -1.90 0.03 0.00 -0.11 0.00 0.00 41.96 39.82 2qky s TYR 416 CO 0.05 0.24 0.47 1.52 -1.11 0.00 0.00 175.55 176.72 2qky s TYR 417 N -0.24 -0.08 -0.08 2.71 -0.85 0.34 0.29 117.35 119.43 2qky s TYR 417 Ca 0.06 -0.25 0.01 0.00 -0.52 0.00 0.00 57.07 56.36 2qky s TYR 417 Cb -0.12 0.31 -0.03 0.00 0.38 0.00 0.00 41.96 42.50 2qky s TYR 417 CO 0.02 -0.85 -0.10 0.42 -1.52 0.00 0.00 175.55 173.52 2qky s ILE 418 N -3.87 3.41 0.31 -3.49 1.01 -0.81 0.13 121.20 117.90 2qky s ILE 418 Ca 0.09 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 2qky s ILE 418 Cb 0.00 -2.39 -0.00 0.00 0.01 0.00 0.00 42.46 40.07 2qky s ILE 418 CO -0.05 0.57 0.43 -0.94 0.00 0.00 0.00 174.94 174.96 2qky s SER 419 N -0.48 0.74 -0.32 3.58 1.04 -0.79 -0.63 113.70 116.84 2qky s SER 419 Ca 0.07 -1.41 0.06 0.00 0.48 0.00 0.00 55.95 55.15 2qky s SER 419 Cb -0.12 0.62 0.46 0.00 0.10 0.00 0.00 66.02 67.08 2qky s SER 419 CO 0.02 -1.22 1.27 -0.46 0.98 0.00 0.00 173.24 173.83 2qky n ASN 420 N -1.15 5.15 0.07 7.02 6.94 -1.07 -1.83 115.26 130.38 2qky n ASN 420 Ca 0.01 -3.76 -0.07 0.00 -0.02 0.00 0.00 54.58 50.75 2qky n ASN 420 Cb 0.62 -0.40 -0.10 0.00 -2.36 0.00 0.00 39.78 37.54 2qky n ASN 420 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2qky h GLU 421 N 2.15 0.01 -6.56 -3.83 4.81 -1.86 -3.38 114.58 105.92 2qky h GLU 421 Ca 0.39 -0.01 -0.58 0.00 -0.13 0.00 0.00 59.36 59.03 2qky h GLU 421 Cb 1.47 0.00 0.07 0.00 0.63 0.00 0.00 28.75 30.92 2qky h GLU 421 CO 0.83 0.98 0.72 0.98 -0.73 0.00 0.00 179.01 181.79 2qky n TYR 422 N -3.39 2.26 -0.84 0.92 9.36 -1.26 -1.19 117.16 123.03 2qky n TYR 422 Ca -0.00 0.34 -0.04 0.00 3.32 0.00 0.00 57.90 61.51 2qky n TYR 422 Cb 0.92 -2.51 -0.02 0.00 -0.63 0.00 0.00 39.34 37.10 2qky n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2qky n LYS 423 N 2.74 -1.61 -1.09 2.98 5.02 -1.26 -2.43 118.16 122.51 2qky n LYS 423 Ca 0.14 0.37 -0.03 0.00 -2.02 0.00 0.00 58.31 56.77 2qky n LYS 423 Cb 0.30 -4.12 -0.01 0.00 -0.02 0.00 0.00 35.03 31.18 2qky n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qky n GLY 424 N 0.14 0.38 3.53 0.72 0.00 -0.33 -4.96 105.19 104.66 2qky n GLY 424 Ca -0.04 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2qky n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qky s MET 425 N -1.96 3.36 0.61 1.61 -1.94 -1.02 -4.93 119.30 115.03 2qky s MET 425 Ca 0.00 -0.19 0.33 0.00 -1.71 0.00 0.00 55.69 54.12 2qky s MET 425 Cb 0.00 -3.95 1.94 0.00 2.01 0.00 0.00 34.83 34.84 2qky s MET 425 CO 0.00 -1.11 2.27 -1.00 -0.01 0.00 0.00 175.02 175.17 2qky h PRO 426 N 8.97 0.00 -0.13 2.03 0.13 -1.87 -0.99 132.00 140.14 2qky h PRO 426 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2qky h PRO 426 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2qky h PRO 426 CO 0.95 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 2qky n GLY 427 N -1.28 -0.44 3.85 1.56 0.00 -1.26 -4.84 105.19 102.78 2qky n GLY 427 Ca -0.03 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 2qky n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qky s GLY 428 N -0.98 1.45 -0.02 -0.02 0.00 -0.38 -2.44 107.32 104.93 2qky s GLY 428 Ca 0.07 -1.33 0.01 0.00 0.00 0.00 0.00 44.72 43.48 2qky s GLY 428 CO 0.05 -1.36 -0.05 0.50 0.00 0.00 0.00 173.10 172.24 2qky s ARG 429 N -3.69 0.57 -0.10 2.90 1.81 0.22 -4.16 118.95 116.49 2qky s ARG 429 Ca 0.33 -0.15 -0.14 0.00 -1.72 0.00 0.00 55.73 54.05 2qky s ARG 429 Cb -0.09 -0.58 0.03 0.00 -0.45 0.00 0.00 34.95 33.87 2qky s ARG 429 CO 0.26 0.04 0.37 -0.80 -0.68 0.00 0.00 175.30 174.48 2qky s ASN 430 N 0.30 -0.34 0.17 0.23 0.01 -0.76 -1.62 114.94 112.91 2qky s ASN 430 Ca -0.03 0.57 -0.25 0.00 -0.71 0.00 0.00 52.86 52.44 2qky s ASN 430 Cb -0.07 0.64 -0.08 0.00 0.41 0.00 0.00 41.25 42.15 2qky s ASN 430 CO -0.00 -0.23 0.76 -0.22 -1.51 0.00 0.00 177.10 175.90 2qky s LEU 431 N -0.26 4.57 0.11 0.60 2.96 -1.26 -1.88 118.68 123.52 2qky s LEU 431 Ca -0.04 1.61 0.03 0.00 -0.22 0.00 0.00 54.13 55.51 2qky s LEU 431 Cb -0.03 -3.30 -0.04 0.00 0.50 0.00 0.00 46.19 43.32 2qky s LEU 431 CO 0.02 0.20 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.86 2qky s TYR 432 N -1.18 1.01 -0.03 5.38 1.51 0.35 -1.57 117.35 122.82 2qky s TYR 432 Ca 0.36 -0.79 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 2qky s TYR 432 Cb -0.22 -0.56 0.02 0.00 -0.11 0.00 0.00 41.96 41.09 2qky s TYR 432 CO 0.25 -0.05 -0.02 -1.59 -1.11 0.00 0.00 175.55 173.03 2qky s LYS 433 N -3.45 0.54 -0.10 -0.62 -2.85 -0.79 -0.51 119.74 111.97 2qky s LYS 433 Ca 0.10 -0.02 0.03 0.00 -1.00 0.00 0.00 55.97 55.08 2qky s LYS 433 Cb 0.02 -0.63 -0.01 0.00 -2.06 0.00 0.00 37.83 35.15 2qky s LYS 433 CO -0.02 -0.10 -0.20 -1.50 0.10 0.00 0.00 175.35 173.64 2qky s ILE 434 N 0.91 2.48 -0.40 3.79 2.07 -0.44 -0.37 121.20 129.25 2qky s ILE 434 Ca -0.11 -0.88 -0.29 0.00 -1.41 0.00 0.00 60.65 57.97 2qky s ILE 434 Cb -0.14 -1.98 0.00 0.00 0.13 0.00 0.00 42.46 40.48 2qky s ILE 434 CO -0.01 0.55 1.54 -1.58 -1.91 0.00 0.00 174.94 173.53 2qky s GLN 435 N 0.16 3.47 0.46 3.50 0.74 0.37 -2.58 119.66 125.78 2qky s GLN 435 Ca -0.11 1.05 0.21 0.00 0.05 0.00 0.00 55.36 56.55 2qky s GLN 435 Cb -0.16 -4.09 1.20 0.00 1.10 0.00 0.00 33.01 31.06 2qky s GLN 435 CO 0.06 -1.70 1.91 -0.07 -0.55 0.00 0.00 175.29 174.95 2qky h LEU 436 N 12.77 0.25 -0.43 3.68 3.38 -1.89 0.21 115.31 133.29 2qky h LEU 436 Ca -0.29 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 2qky h LEU 436 Cb 1.12 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2qky h LEU 436 CO 1.08 0.12 -0.15 0.77 0.09 0.00 0.00 178.44 180.35 2qky h SER 437 N 0.26 0.00 -2.23 -0.43 4.64 -1.90 -3.40 113.55 110.49 2qky h SER 437 Ca 0.38 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.32 2qky h SER 437 Cb 1.10 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.85 2qky h SER 437 CO -0.09 0.15 -0.68 -0.62 -0.87 0.00 0.00 176.83 174.72 2qky s ASP 438 N -6.18 1.93 0.00 4.97 2.15 0.72 -4.99 116.67 115.27 2qky s ASP 438 Ca 0.04 -1.07 0.01 0.00 0.43 0.00 0.00 52.55 51.97 2qky s ASP 438 Cb 0.07 0.34 0.07 0.00 -0.30 0.00 0.00 42.92 43.11 2qky s ASP 438 CO 0.66 -0.37 0.40 -1.22 -0.17 0.00 0.00 175.17 174.47 2qky n TYR 439 N 5.03 0.00 0.54 -5.34 4.01 -1.09 -0.49 117.16 119.82 2qky n TYR 439 Ca 0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.83 2qky n TYR 439 Cb 0.45 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.57 2qky n TYR 439 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2qky n THR 440 N -0.80 0.15 -3.56 -0.72 -2.24 -1.26 -4.71 114.28 101.14 2qky n THR 440 Ca 0.01 -0.58 -0.39 0.00 -2.27 0.00 0.00 64.05 60.82 2qky n THR 440 Cb 0.00 1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 69.39 2qky n THR 440 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2qky s LYS 441 N -1.31 3.38 -0.11 -0.78 -0.14 0.36 -5.03 119.74 116.12 2qky s LYS 441 Ca 0.21 -3.07 0.00 0.00 -1.36 0.00 0.00 55.97 51.76 2qky s LYS 441 Cb 0.14 -4.09 -0.02 0.00 -1.68 0.00 0.00 37.83 32.18 2qky s LYS 441 CO 0.21 -1.25 -0.10 0.08 -0.76 0.00 0.00 175.35 173.53 2qky s VAL 442 N -0.98 3.34 -0.16 3.17 1.01 -1.26 -0.48 120.40 125.05 2qky s VAL 442 Ca 0.25 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.66 2qky s VAL 442 Cb -0.10 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.91 2qky s VAL 442 CO -0.10 0.55 -0.17 -0.89 0.00 0.00 0.00 175.10 174.49 2qky s THR 443 N -0.10 1.79 -0.06 3.92 2.01 0.51 -4.97 115.64 118.74 2qky s THR 443 Ca -0.00 -0.78 -0.30 0.00 0.31 0.00 0.00 61.69 60.92 2qky s THR 443 Cb -0.14 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.71 2qky s THR 443 CO 0.03 0.50 1.05 0.00 -0.69 0.00 0.00 174.62 175.51 2qky n LEU 445 N 4.73 2.00 0.00 0.00 4.77 -0.61 -4.57 117.00 123.32 2qky n LEU 445 Ca 0.09 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 2qky n LEU 445 Cb 0.49 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2qky n LEU 445 CO 0.53 0.35 -0.15 -1.54 -1.33 0.00 0.00 177.39 175.25 2qky n SER 446 N 0.33 1.48 -0.30 -1.43 3.41 -1.25 -4.84 113.62 111.02 2qky n SER 446 Ca 0.14 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.83 2qky n SER 446 Cb 0.46 0.22 0.17 0.00 -0.26 0.00 0.00 64.21 64.79 2qky n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qky n GLU 448 N -5.31 0.10 -0.46 0.00 4.71 -1.26 -4.07 120.64 114.35 2qky n GLU 448 Ca 0.16 -0.01 0.39 0.00 -0.01 0.00 0.00 57.16 57.69 2qky n GLU 448 Cb 0.50 -1.52 0.72 0.00 -1.01 0.00 0.00 31.44 30.13 2qky n GLU 448 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2qky h LEU 449 N 0.00 0.12 -5.00 -4.62 3.38 -1.69 -3.32 115.31 104.18 2qky h LEU 449 Ca 0.00 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2qky h LEU 449 Cb 0.58 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.24 2qky h LEU 449 CO 0.00 -0.03 0.07 -3.20 0.09 0.00 0.00 178.44 175.36 2qky n ASN 450 N -4.30 -1.04 0.05 -0.43 2.85 -1.26 -5.04 115.26 106.09 2qky n ASN 450 Ca 0.34 -1.54 0.17 0.00 -0.11 0.00 0.00 54.58 53.44 2qky n ASN 450 Cb 1.46 0.68 0.39 0.00 1.24 0.00 0.00 39.78 43.55 2qky n ASN 450 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2qky h PRO 451 N 2.71 0.00 0.09 1.20 0.13 -1.71 0.15 132.00 134.57 2qky h PRO 451 Ca -0.28 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.49 2qky h PRO 451 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 2qky h PRO 451 CO -0.20 0.00 -2.05 0.39 -0.23 0.00 0.00 178.00 175.92 2qky n GLU 452 N -3.05 0.72 0.09 0.86 1.02 -1.26 -4.36 120.64 114.67 2qky n GLU 452 Ca 0.11 0.26 0.12 0.00 -0.02 0.00 0.00 57.16 57.63 2qky n GLU 452 Cb 1.11 -1.67 0.02 0.00 -0.02 0.00 0.00 31.44 30.88 2qky n GLU 452 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2qky n ARG 453 N -3.53 0.55 -4.44 3.49 0.63 -0.49 -4.64 116.66 108.23 2qky n ARG 453 Ca -0.35 0.10 -0.22 0.00 -0.92 0.00 0.00 57.85 56.47 2qky n ARG 453 Cb 1.01 -1.79 -0.16 0.00 0.45 0.00 0.00 32.46 31.97 2qky n ARG 453 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qky n GLN 455 N 3.47 1.18 -3.94 0.00 6.02 0.11 -4.27 117.38 119.95 2qky n GLN 455 Ca -0.20 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.48 2qky n GLN 455 Cb 0.53 -0.10 -0.15 0.00 1.02 0.00 0.00 30.24 31.54 2qky n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2qky s TYR 456 N 0.00 3.11 0.22 1.08 6.14 -1.09 -0.61 117.35 126.19 2qky s TYR 456 Ca 0.00 -2.56 0.06 0.00 0.64 0.00 0.00 57.07 55.21 2qky s TYR 456 Cb 0.00 -2.48 -0.04 0.00 0.42 0.00 0.00 41.96 39.86 2qky s TYR 456 CO 0.00 -0.92 0.17 0.71 0.64 0.00 0.00 175.55 176.15 2qky s TYR 457 N 1.13 3.12 -0.02 4.97 2.02 -0.64 -0.17 117.35 127.76 2qky s TYR 457 Ca 0.09 -0.08 -0.04 0.00 -0.37 0.00 0.00 57.07 56.67 2qky s TYR 457 Cb -0.19 -1.44 0.00 0.00 -0.40 0.00 0.00 41.96 39.94 2qky s TYR 457 CO -0.12 0.52 0.09 0.45 -1.57 0.00 0.00 175.55 174.92 2qky s SER 458 N -3.54 -0.02 0.15 2.29 0.15 -0.70 -4.60 113.70 107.43 2qky s SER 458 Ca 0.32 -0.02 0.07 0.00 0.70 0.00 0.00 55.95 57.02 2qky s SER 458 Cb -0.09 0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.38 2qky s SER 458 CO 0.24 -0.17 -0.15 0.54 1.20 0.00 0.00 173.24 174.90 2qky s VAL 459 N -0.60 1.51 -0.04 4.45 0.11 -1.26 0.09 120.40 124.67 2qky s VAL 459 Ca -0.07 -1.89 -0.01 0.00 -2.93 0.00 0.00 61.98 57.08 2qky s VAL 459 Cb -0.04 -1.74 0.03 0.00 -1.53 0.00 0.00 36.38 33.10 2qky s VAL 459 CO 0.00 -0.46 0.03 -0.55 -3.33 0.00 0.00 175.10 170.80 2qky s SER 460 N -2.74 0.88 0.10 3.54 0.15 -1.06 -4.99 113.70 109.58 2qky s SER 460 Ca 0.14 0.03 0.06 0.00 0.70 0.00 0.00 55.95 56.87 2qky s SER 460 Cb -0.04 -0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.04 2qky s SER 460 CO 0.04 -0.19 -0.03 -0.36 1.20 0.00 0.00 173.24 173.90 2qky s PHE 461 N 1.72 2.91 1.13 3.44 0.40 -1.26 -1.28 117.98 125.03 2qky s PHE 461 Ca -0.00 -0.07 -0.16 0.00 -0.60 0.00 0.00 56.93 56.10 2qky s PHE 461 Cb -0.13 -1.50 0.25 0.00 0.51 0.00 0.00 43.02 42.16 2qky s PHE 461 CO -0.03 0.47 1.09 -1.54 0.70 0.00 0.00 175.22 175.90 2qky s SER 462 N -2.32 1.54 0.38 1.36 1.04 -1.02 -4.80 113.70 109.87 2qky s SER 462 Ca 0.25 0.94 0.16 0.00 0.48 0.00 0.00 55.95 57.78 2qky s SER 462 Cb -0.11 -1.42 1.04 0.00 0.10 0.00 0.00 66.02 65.63 2qky s SER 462 CO 0.17 -3.78 1.77 0.11 0.98 0.00 0.00 173.24 172.50 2qky h LYS 463 N -2.34 0.44 -0.06 4.02 1.79 -1.83 -0.23 116.57 118.37 2qky h LYS 463 Ca -0.51 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 2qky h LYS 463 Cb 1.32 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 2qky h LYS 463 CO 0.46 0.29 0.00 0.39 -1.08 0.00 0.00 179.45 179.51 2qky n GLU 464 N -4.66 2.10 -3.13 3.15 -0.58 -1.26 -4.96 120.64 111.30 2qky n GLU 464 Ca 0.25 -2.26 -0.22 0.00 -0.42 0.00 0.00 57.16 54.51 2qky n GLU 464 Cb 0.81 -1.38 0.05 0.00 -0.57 0.00 0.00 31.44 30.35 2qky n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qky n ALA 465 N -0.92 -1.03 0.03 0.62 0.00 -0.10 -4.87 120.51 114.25 2qky n ALA 465 Ca 0.12 0.31 -0.18 0.00 0.00 0.00 0.00 53.44 53.69 2qky n ALA 465 Cb 0.54 -4.21 -0.08 0.00 0.00 0.00 0.00 19.45 15.71 2qky n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2qky h LYS 466 N -1.66 0.66 -5.42 0.00 3.64 -1.81 -3.40 116.57 108.58 2qky h LYS 466 Ca -0.53 -0.66 -0.62 0.00 -1.27 0.00 0.00 60.65 57.58 2qky h LYS 466 Cb 1.36 0.17 -0.13 0.00 -0.41 0.00 0.00 32.23 33.22 2qky h LYS 466 CO 0.56 1.26 -0.57 0.71 -2.27 0.00 0.00 179.45 179.13 2qky s TYR 467 N -3.42 2.20 -0.06 1.91 2.02 -1.26 0.20 117.35 118.94 2qky s TYR 467 Ca -0.09 -0.84 -0.30 0.00 -0.37 0.00 0.00 57.07 55.48 2qky s TYR 467 Cb 0.08 -1.62 0.09 0.00 -0.40 0.00 0.00 41.96 40.11 2qky s TYR 467 CO 0.90 0.27 0.79 1.52 -1.57 0.00 0.00 175.55 177.47 2qky s TYR 468 N -2.88 -0.52 -0.03 2.71 1.13 0.72 -2.44 117.35 116.04 2qky s TYR 468 Ca 0.26 0.78 0.04 0.00 -1.41 0.00 0.00 57.07 56.74 2qky s TYR 468 Cb 0.07 0.45 -0.03 0.00 -1.10 0.00 0.00 41.96 41.35 2qky s TYR 468 CO 0.13 -0.55 -0.13 -1.14 -2.51 0.00 0.00 175.55 171.35 2qky s GLN 469 N -1.66 2.48 -0.32 -3.49 0.74 -0.41 0.14 119.66 117.14 2qky s GLN 469 Ca -0.05 -0.71 -0.05 0.00 0.05 0.00 0.00 55.36 54.60 2qky s GLN 469 Cb -0.00 -2.39 0.04 0.00 1.10 0.00 0.00 33.01 31.76 2qky s GLN 469 CO 0.03 0.62 0.06 -0.51 -0.55 0.00 0.00 175.29 174.94 2qky s LEU 470 N -0.90 4.14 -1.02 3.68 1.43 0.25 -2.56 118.68 123.69 2qky s LEU 470 Ca 0.13 -1.18 -0.16 0.00 -1.03 0.00 0.00 54.13 51.89 2qky s LEU 470 Cb -0.11 -1.81 0.17 0.00 0.03 0.00 0.00 46.19 44.47 2qky s LEU 470 CO 0.02 -0.30 1.18 -0.60 0.23 0.00 0.00 176.35 176.88 2qky s ARG 471 N 1.35 3.81 -0.30 1.70 3.52 0.11 -3.07 118.95 126.07 2qky s ARG 471 Ca -0.03 -2.23 -0.28 0.00 -0.13 0.00 0.00 55.73 53.06 2qky s ARG 471 Cb -0.19 -4.87 0.01 0.00 -1.56 0.00 0.00 34.95 28.33 2qky s ARG 471 CO 0.01 -1.67 1.00 0.00 -0.81 0.00 0.00 175.30 173.84 2qky n SER 473 N 6.61 0.64 -2.84 0.00 7.64 0.76 -1.38 113.62 125.06 2qky n SER 473 Ca 0.10 0.29 -0.12 0.00 1.01 0.00 0.00 58.87 60.14 2qky n SER 473 Cb 0.47 0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 63.89 2qky n SER 473 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qky n GLY 474 N 1.62 1.83 0.38 0.23 0.00 -1.25 -2.99 105.19 105.02 2qky n GLY 474 Ca -0.22 -1.50 0.14 0.00 0.00 0.00 0.00 46.02 44.44 2qky n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qky n PRO 475 N -0.54 1.53 -1.85 1.61 -0.04 -0.92 0.08 135.00 134.87 2qky n PRO 475 Ca -0.02 -0.77 -0.07 0.00 -0.04 0.00 0.00 63.50 62.60 2qky n PRO 475 Cb 0.56 -1.48 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 2qky n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qky n GLY 476 N 1.14 2.31 3.64 0.55 0.00 -0.16 -4.52 105.19 108.13 2qky n GLY 476 Ca 0.20 -2.18 -0.47 0.00 0.00 0.00 0.00 46.02 43.57 2qky n GLY 476 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qky n LEU 477 N 0.00 2.53 -4.50 0.99 4.77 -1.26 -4.69 117.00 114.83 2qky n LEU 477 Ca 0.03 1.13 -0.46 0.00 -0.03 0.00 0.00 56.01 56.68 2qky n LEU 477 Cb 0.20 -1.35 -0.02 0.00 -2.33 0.00 0.00 43.42 39.92 2qky n LEU 477 CO 0.12 -0.74 0.30 -2.65 -1.33 0.00 0.00 177.39 173.10 2qky n PRO 478 N 2.20 0.74 -3.74 3.23 -0.02 -1.26 -4.90 135.00 131.24 2qky n PRO 478 Ca 0.14 0.26 -0.28 0.00 -2.02 0.00 0.00 63.50 61.60 2qky n PRO 478 Cb 0.28 -1.46 -0.16 0.00 -0.02 0.00 0.00 33.50 32.14 2qky n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qky s LEU 479 N 1.61 1.33 -0.00 2.45 2.96 -0.48 -4.22 118.68 122.34 2qky s LEU 479 Ca 0.61 -0.92 -0.12 0.00 -0.22 0.00 0.00 54.13 53.48 2qky s LEU 479 Cb -0.80 -0.65 -0.05 0.00 0.50 0.00 0.00 46.19 45.18 2qky s LEU 479 CO 0.58 -0.31 0.36 -0.31 -1.32 0.00 0.00 176.35 175.35 2qky s TYR 480 N 1.82 3.67 -0.10 5.38 1.51 0.20 -2.56 117.35 127.26 2qky s TYR 480 Ca -0.00 0.86 -0.27 0.00 -1.01 0.00 0.00 57.07 56.64 2qky s TYR 480 Cb -0.17 -2.19 0.06 0.00 -0.11 0.00 0.00 41.96 39.55 2qky s TYR 480 CO -0.10 0.63 0.64 0.95 -1.11 0.00 0.00 175.55 176.56 2qky s THR 481 N -1.15 0.01 0.23 -0.71 -4.23 -1.18 -1.74 115.64 106.87 2qky s THR 481 Ca 0.24 -0.05 0.03 0.00 -1.18 0.00 0.00 61.69 60.73 2qky s THR 481 Cb -0.15 -0.94 -0.03 0.00 1.34 0.00 0.00 72.50 72.72 2qky s THR 481 CO 0.13 -0.03 0.38 -0.22 -0.54 0.00 0.00 174.62 174.34 2qky s LEU 482 N -0.79 4.26 0.12 4.79 2.96 -1.11 -0.59 118.68 128.33 2qky s LEU 482 Ca -0.08 0.20 -0.13 0.00 -0.22 0.00 0.00 54.13 53.89 2qky s LEU 482 Cb -0.02 -2.99 0.02 0.00 0.50 0.00 0.00 46.19 43.71 2qky s LEU 482 CO 0.07 -0.07 0.33 -1.00 -1.32 0.00 0.00 176.35 174.36 2qky s HIS 483 N -1.96 -0.04 -0.18 5.38 3.76 0.37 -2.97 115.29 119.65 2qky s HIS 483 Ca 0.36 -0.32 -0.03 0.00 -0.15 0.00 0.00 55.06 54.92 2qky s HIS 483 Cb -0.10 0.14 -0.02 0.00 1.11 0.00 0.00 32.58 33.72 2qky s HIS 483 CO 0.30 -0.67 -0.06 -1.54 -0.85 0.00 0.00 174.74 171.92 2qky s SER 484 N -2.84 4.42 0.44 1.40 1.04 -1.19 -0.20 113.70 116.76 2qky s SER 484 Ca 0.05 -0.28 0.12 0.00 0.48 0.00 0.00 55.95 56.32 2qky s SER 484 Cb 0.03 -1.73 0.98 0.00 0.10 0.00 0.00 66.02 65.41 2qky s SER 484 CO -0.10 0.09 2.03 0.28 0.98 0.00 0.00 173.24 176.52 2qky h SER 485 N 7.27 0.18 -0.21 7.02 0.02 0.21 0.78 113.55 128.82 2qky h SER 485 Ca -0.34 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 60.65 2qky h SER 485 Cb 1.19 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.61 2qky h SER 485 CO 0.60 0.22 -0.41 1.62 -1.14 0.00 0.00 176.83 177.72 2qky h VAL 486 N 0.19 0.15 0.00 2.27 3.04 -1.88 -3.26 116.25 116.76 2qky h VAL 486 Ca 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 2qky h VAL 486 Cb 0.15 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.58 2qky h VAL 486 CO 0.00 0.00 -0.05 0.59 -1.01 0.00 0.00 177.57 177.10 2qky n ASN 487 N -5.43 1.89 -4.10 3.17 3.02 -1.17 -4.99 115.26 107.66 2qky n ASN 487 Ca -0.03 -2.55 -0.28 0.00 -0.03 0.00 0.00 54.58 51.69 2qky n ASN 487 Cb 0.36 -0.26 -0.05 0.00 -0.61 0.00 0.00 39.78 39.22 2qky n ASN 487 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qky n ASP 488 N -0.94 0.03 -4.80 6.41 10.43 0.27 -4.88 116.55 123.06 2qky n ASP 488 Ca 0.09 -1.12 -0.38 0.00 2.57 0.00 0.00 54.79 55.94 2qky n ASP 488 Cb 0.52 -2.45 -0.06 0.00 1.84 0.00 0.00 41.12 40.97 2qky n ASP 488 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2qky s LYS 489 N -6.89 4.14 -1.14 -1.24 2.20 -1.18 -4.89 119.74 110.74 2qky s LYS 489 Ca 0.02 0.60 -0.18 0.00 -0.36 0.00 0.00 55.97 56.05 2qky s LYS 489 Cb -0.01 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 32.99 2qky s LYS 489 CO 0.93 0.56 2.06 0.41 -0.36 0.00 0.00 175.35 178.96 2qky n GLY 490 N 2.03 3.40 0.30 5.54 0.00 -1.26 -3.20 105.19 112.00 2qky n GLY 490 Ca -0.11 -1.41 0.05 0.00 0.00 0.00 0.00 46.02 44.55 2qky n GLY 490 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qky n LEU 491 N 7.10 -0.30 0.00 0.99 4.77 -1.16 -4.85 117.00 123.56 2qky n LEU 491 Ca 0.51 1.45 0.00 0.00 -0.03 0.00 0.00 56.01 57.94 2qky n LEU 491 Cb 0.40 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2qky n LEU 491 CO 0.95 -1.39 0.00 -2.11 -1.33 0.00 0.00 177.39 173.51 2qky n ARG 492 N -5.37 -1.71 -3.83 3.23 1.85 -1.24 -5.02 116.66 104.56 2qky n ARG 492 Ca 0.14 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.63 2qky n ARG 492 Cb 0.42 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.70 2qky n ARG 492 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2qky s VAL 493 N -2.69 3.82 -0.08 8.89 1.01 -1.26 -2.77 120.40 127.33 2qky s VAL 493 Ca 0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 2qky s VAL 493 Cb 0.00 -2.78 -0.11 0.00 0.00 0.00 0.00 36.38 33.49 2qky s VAL 493 CO 0.00 0.37 0.53 -0.07 0.00 0.00 0.00 175.10 175.93 2qky h LEU 494 N 8.17 -0.13 -7.29 3.92 3.38 -1.68 -3.48 115.31 118.21 2qky h LEU 494 Ca -0.40 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.15 2qky h LEU 494 Cb 1.17 0.03 -0.24 0.00 0.09 0.00 0.00 40.66 41.71 2qky h LEU 494 CO 0.59 0.47 -0.24 -0.70 0.09 0.00 0.00 178.44 178.66 2qky s GLU 495 N -2.56 0.47 -0.03 1.13 2.56 -1.12 -5.01 118.70 114.14 2qky s GLU 495 Ca -0.09 0.61 0.05 0.00 0.00 0.00 0.00 54.97 55.54 2qky s GLU 495 Cb -0.00 0.20 0.08 0.00 2.00 0.00 0.00 34.13 36.40 2qky s GLU 495 CO 0.32 -0.07 0.92 -0.40 -0.56 0.00 0.00 175.26 175.47 2qky n ASP 496 N 3.07 1.14 -4.17 -1.70 5.68 -1.26 -0.63 116.55 118.67 2qky n ASP 496 Ca -0.15 -2.04 -0.30 0.00 -0.50 0.00 0.00 54.79 51.80 2qky n ASP 496 Cb 0.57 -0.16 -0.07 0.00 -1.14 0.00 0.00 41.12 40.32 2qky n ASP 496 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2qky n ASN 497 N -0.50 0.18 0.18 -1.12 3.02 -1.26 -4.83 115.26 110.92 2qky n ASN 497 Ca 0.04 -1.19 0.06 0.00 -0.03 0.00 0.00 54.58 53.47 2qky n ASN 497 Cb 0.52 -2.11 0.13 0.00 -0.61 0.00 0.00 39.78 37.71 2qky n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2qky h SER 498 N -1.85 0.00 0.48 6.41 4.64 -1.95 -2.50 113.55 118.78 2qky h SER 498 Ca -0.65 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.37 2qky h SER 498 Cb 1.39 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.46 2qky h SER 498 CO 0.67 0.31 -1.56 0.00 -0.87 0.00 0.00 176.83 175.38 2qky h ALA 499 N 1.69 0.40 -0.30 5.18 0.00 -1.99 -2.73 119.26 121.50 2qky h ALA 499 Ca -0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 54.91 53.66 2qky h ALA 499 Cb 1.18 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2qky h ALA 499 CO 0.04 1.26 -0.02 1.25 0.00 0.00 0.00 179.25 181.78 2qky h LEU 500 N 0.05 0.54 -0.70 0.00 5.85 -1.87 -2.74 115.31 116.44 2qky h LEU 500 Ca -0.24 -0.33 0.11 0.00 0.84 0.00 0.00 57.88 58.26 2qky h LEU 500 Cb 1.99 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.80 2qky h LEU 500 CO 0.13 0.74 0.30 -0.78 -0.34 0.00 0.00 178.44 178.49 2qky h ASP 501 N 0.33 0.33 -0.70 1.25 3.58 -1.54 -1.89 116.42 117.78 2qky h ASP 501 Ca 0.08 0.08 0.12 0.00 0.42 0.00 0.00 57.03 57.73 2qky h ASP 501 Cb 0.47 0.04 -0.08 0.00 1.72 0.00 0.00 39.33 41.48 2qky h ASP 501 CO 0.02 0.17 0.30 0.50 -2.88 0.00 0.00 179.24 177.35 2qky h LYS 502 N 0.49 0.47 -0.08 0.28 3.64 -1.19 -1.84 116.57 118.35 2qky h LYS 502 Ca 0.36 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.60 2qky h LYS 502 Cb 0.46 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2qky h LYS 502 CO -0.33 0.31 -0.48 0.52 -2.27 0.00 0.00 179.45 177.20 2qky h MET 503 N 0.48 0.19 0.00 1.90 2.86 -1.14 -3.28 114.93 115.94 2qky h MET 503 Ca 0.37 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.80 2qky h MET 503 Cb 0.49 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 2qky h MET 503 CO -0.34 0.64 -0.47 -0.07 1.06 0.00 0.00 176.91 177.73 2qky h LEU 504 N 0.16 0.00 -1.20 1.22 3.38 -0.76 -2.75 115.31 115.36 2qky h LEU 504 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qky h LEU 504 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2qky h LEU 504 CO 0.07 0.47 0.00 0.06 0.09 0.00 0.00 178.44 179.13 2qky h GLN 505 N 0.00 0.00 -0.19 1.13 3.07 -1.50 -1.82 115.11 115.80 2qky h GLN 505 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2qky h GLN 505 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.80 2qky h GLN 505 CO 0.06 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.07 2qky n ASN 506 N -2.75 1.20 -4.30 0.06 3.02 -1.04 -4.87 115.26 106.58 2qky n ASN 506 Ca 0.01 -1.85 -0.16 0.00 -0.03 0.00 0.00 54.58 52.55 2qky n ASN 506 Cb 0.27 -0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 39.21 2qky n ASN 506 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qky s VAL 507 N -1.75 0.74 -1.17 2.41 0.11 -0.69 -4.14 120.40 115.90 2qky s VAL 507 Ca 0.22 -2.00 -0.08 0.00 -2.93 0.00 0.00 61.98 57.18 2qky s VAL 507 Cb 0.11 -2.43 0.24 0.00 -1.53 0.00 0.00 36.38 32.77 2qky s VAL 507 CO 0.16 -0.22 1.55 0.00 -3.33 0.00 0.00 175.10 173.27 2qky n GLN 508 N -0.40 3.90 -1.80 1.54 6.02 -0.11 -4.95 117.38 121.58 2qky n GLN 508 Ca -0.03 -4.10 -0.32 0.00 -0.01 0.00 0.00 57.00 52.54 2qky n GLN 508 Cb 0.65 -2.73 0.03 0.00 1.02 0.00 0.00 30.24 29.21 2qky n GLN 508 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2qky s MET 509 N -0.88 3.11 0.42 -1.09 -1.94 -1.26 -4.48 119.30 113.17 2qky s MET 509 Ca 0.36 1.09 -0.03 0.00 -1.71 0.00 0.00 55.69 55.40 2qky s MET 509 Cb 0.03 -2.01 -0.04 0.00 2.01 0.00 0.00 34.83 34.83 2qky s MET 509 CO 0.03 -0.97 0.69 -1.25 -0.01 0.00 0.00 175.02 173.51 2qky s PRO 510 N -4.54 3.53 0.48 2.03 0.04 -1.26 -4.26 135.00 131.02 2qky s PRO 510 Ca 0.61 -0.01 0.09 0.00 0.04 0.00 0.00 61.00 61.73 2qky s PRO 510 Cb -0.15 -2.50 0.04 0.00 0.04 0.00 0.00 34.50 31.93 2qky s PRO 510 CO 0.46 -0.05 0.65 -1.54 0.04 0.00 0.00 177.00 176.55 2qky s SER 511 N -4.03 5.41 -0.02 6.66 1.04 -0.08 -4.85 113.70 117.83 2qky s SER 511 Ca 0.44 -0.61 0.05 0.00 0.48 0.00 0.00 55.95 56.31 2qky s SER 511 Cb -0.10 -0.27 -0.01 0.00 0.10 0.00 0.00 66.02 65.74 2qky s SER 511 CO 0.41 -0.99 -0.16 -0.75 0.98 0.00 0.00 173.24 172.73 2qky s LYS 512 N -4.47 1.35 -0.21 4.02 2.20 -1.26 0.23 119.74 121.60 2qky s LYS 512 Ca 0.57 -0.56 -0.00 0.00 -0.36 0.00 0.00 55.97 55.62 2qky s LYS 512 Cb -0.08 -1.28 0.05 0.00 -1.51 0.00 0.00 37.83 35.01 2qky s LYS 512 CO 0.35 0.32 -0.04 0.21 -0.36 0.00 0.00 175.35 175.83 2qky s LYS 513 N -0.29 1.45 -0.40 4.03 2.20 -1.18 -4.93 119.74 120.62 2qky s LYS 513 Ca 0.04 -0.77 -0.11 0.00 -0.36 0.00 0.00 55.97 54.77 2qky s LYS 513 Cb -0.07 -2.36 0.04 0.00 -1.51 0.00 0.00 37.83 33.94 2qky s LYS 513 CO -0.00 -0.55 0.24 -1.17 -0.36 0.00 0.00 175.35 173.51 2qky s LEU 514 N 1.53 4.92 0.00 5.43 2.96 -1.26 -0.52 118.68 131.74 2qky s LEU 514 Ca -0.03 -1.13 0.00 0.00 -0.22 0.00 0.00 54.13 52.74 2qky s LEU 514 Cb -0.17 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.48 2qky s LEU 514 CO -0.07 -0.45 0.00 -0.67 -1.32 0.00 0.00 176.35 173.84 2qky n ASP 515 N 5.01 0.94 -3.55 3.68 -0.08 0.15 -4.96 116.55 117.74 2qky n ASP 515 Ca -0.11 -0.12 -0.17 0.00 -1.51 0.00 0.00 54.79 52.88 2qky n ASP 515 Cb 0.45 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.85 2qky n ASP 515 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2qky s PHE 516 N -0.23 -0.69 0.14 -0.67 -0.71 -1.26 -0.31 117.98 114.26 2qky s PHE 516 Ca 0.00 1.33 0.07 0.00 -1.04 0.00 0.00 56.93 57.28 2qky s PHE 516 Cb 0.00 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 2qky s PHE 516 CO 0.00 -0.55 -0.01 0.96 -1.34 0.00 0.00 175.22 174.28 2qky s ILE 517 N -0.78 3.76 -0.24 -4.49 -4.36 0.16 -4.90 121.20 110.36 2qky s ILE 517 Ca -0.08 -1.29 -0.07 0.00 -0.26 0.00 0.00 60.65 58.95 2qky s ILE 517 Cb -0.01 -2.85 -0.03 0.00 1.25 0.00 0.00 42.46 40.82 2qky s ILE 517 CO 0.08 -0.02 0.06 -0.63 0.24 0.00 0.00 174.94 174.66 2qky s ILE 518 N -1.56 4.24 -0.04 8.37 1.01 -1.26 -1.27 121.20 130.69 2qky s ILE 518 Ca 0.26 -0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.77 2qky s ILE 518 Cb -0.10 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 2qky s ILE 518 CO 0.18 0.35 -0.21 -0.76 0.00 0.00 0.00 174.94 174.50 2qky s LEU 519 N 1.53 2.00 -0.88 2.97 1.43 0.78 -4.72 118.68 121.80 2qky s LEU 519 Ca 0.06 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2qky s LEU 519 Cb -0.15 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 44.93 2qky s LEU 519 CO 0.03 0.21 0.05 0.59 0.23 0.00 0.00 176.35 177.46 2qky n ASN 520 N 2.94 -3.34 -0.46 2.29 3.02 -1.26 -0.28 115.26 118.16 2qky n ASN 520 Ca -0.17 0.19 -0.05 0.00 -0.03 0.00 0.00 54.58 54.52 2qky n ASN 520 Cb 0.52 -2.86 -0.01 0.00 -0.61 0.00 0.00 39.78 36.82 2qky n ASN 520 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qky n GLU 521 N -2.84 -0.38 -4.10 3.52 1.02 -1.26 -5.03 120.64 111.57 2qky n GLU 521 Ca -0.11 0.53 -0.14 0.00 -0.02 0.00 0.00 57.16 57.42 2qky n GLU 521 Cb 0.58 -4.27 -0.11 0.00 -0.02 0.00 0.00 31.44 27.62 2qky n GLU 521 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2qky s THR 522 N -2.21 0.69 -0.11 2.62 2.01 0.61 -5.13 115.64 114.12 2qky s THR 522 Ca 0.00 -1.25 -0.03 0.00 0.31 0.00 0.00 61.69 60.72 2qky s THR 522 Cb 0.00 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 2qky s THR 522 CO 0.00 -0.41 0.02 -1.59 -0.69 0.00 0.00 174.62 171.95 2qky s LYS 523 N -1.92 3.20 -0.13 4.92 -2.85 -1.26 -0.15 119.74 121.55 2qky s LYS 523 Ca -0.05 -0.38 0.01 0.00 -1.00 0.00 0.00 55.97 54.55 2qky s LYS 523 Cb -0.08 -2.90 0.02 0.00 -2.06 0.00 0.00 37.83 32.81 2qky s LYS 523 CO 0.00 0.63 -0.15 -0.06 0.10 0.00 0.00 175.35 175.88 2qky s PHE 524 N -0.67 2.06 0.46 1.78 0.40 -0.40 -4.97 117.98 116.66 2qky s PHE 524 Ca 0.11 -1.06 -0.08 0.00 -0.60 0.00 0.00 56.93 55.29 2qky s PHE 524 Cb -0.12 -1.51 -0.05 0.00 0.51 0.00 0.00 43.02 41.86 2qky s PHE 524 CO 0.02 -0.57 0.81 -1.58 0.70 0.00 0.00 175.22 174.60 2qky s TRP 525 N 1.24 3.53 0.14 0.36 0.52 -1.25 -0.66 118.94 122.81 2qky s TRP 525 Ca -0.01 0.96 -0.10 0.00 0.02 0.00 0.00 56.10 56.97 2qky s TRP 525 Cb -0.14 -2.40 0.00 0.00 -1.15 0.00 0.00 33.47 29.78 2qky s TRP 525 CO -0.06 -0.25 0.29 1.52 0.02 0.00 0.00 176.95 178.47 2qky s TYR 526 N -2.64 0.21 0.02 -1.98 -0.85 0.58 -1.38 117.35 111.32 2qky s TYR 526 Ca 0.50 -0.59 0.00 0.00 -0.52 0.00 0.00 57.07 56.46 2qky s TYR 526 Cb -0.10 0.01 -0.02 0.00 0.38 0.00 0.00 41.96 42.23 2qky s TYR 526 CO 0.40 -0.68 -0.04 1.14 -1.52 0.00 0.00 175.55 174.85 2qky s GLN 527 N -3.91 0.36 -0.26 -3.49 -2.07 -1.04 0.34 119.66 109.60 2qky s GLN 527 Ca 0.11 -0.64 -0.02 0.00 -1.82 0.00 0.00 55.36 52.99 2qky s GLN 527 Cb 0.03 0.02 0.08 0.00 -1.09 0.00 0.00 33.01 32.06 2qky s GLN 527 CO -0.05 -0.03 0.07 -1.64 -1.32 0.00 0.00 175.29 172.33 2qky s MET 528 N -1.48 0.65 -0.07 9.60 -1.94 0.32 -2.02 119.30 124.36 2qky s MET 528 Ca -0.15 -0.74 -0.29 0.00 -1.71 0.00 0.00 55.69 52.80 2qky s MET 528 Cb -0.10 -1.95 -0.07 0.00 2.01 0.00 0.00 34.83 34.72 2qky s MET 528 CO -0.01 -0.84 2.03 0.42 -0.01 0.00 0.00 175.02 176.61 2qky s ILE 529 N 1.77 3.06 -0.07 2.53 -1.09 0.17 -3.12 121.20 124.45 2qky s ILE 529 Ca 0.05 0.07 -0.03 0.00 -2.23 0.00 0.00 60.65 58.51 2qky s ILE 529 Cb -0.17 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.62 2qky s ILE 529 CO -0.19 -0.02 0.06 -0.76 -1.23 0.00 0.00 174.94 172.80 2qky s LEU 530 N 5.85 3.90 0.88 2.97 1.43 0.13 -2.56 118.68 131.30 2qky s LEU 530 Ca 0.92 0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 54.15 2qky s LEU 530 Cb -0.38 -2.03 0.12 0.00 0.03 0.00 0.00 46.19 43.94 2qky s LEU 530 CO 0.38 0.36 1.12 -2.84 0.23 0.00 0.00 176.35 175.60 2qky s PRO 531 N -1.18 1.31 0.35 1.29 0.02 -1.26 -0.90 135.00 134.63 2qky s PRO 531 Ca 0.17 1.34 -0.28 0.00 0.02 0.00 0.00 61.00 62.25 2qky s PRO 531 Cb -0.12 -1.78 -0.10 0.00 0.02 0.00 0.00 34.50 32.53 2qky s PRO 531 CO 0.06 -2.36 1.25 -2.14 -0.33 0.00 0.00 177.00 173.48 2qky s PRO 532 N -4.74 4.28 -0.81 5.54 0.02 -1.26 -3.01 135.00 135.02 2qky s PRO 532 Ca 0.65 2.07 -0.04 0.00 0.02 0.00 0.00 61.00 63.70 2qky s PRO 532 Cb -0.21 -2.96 0.00 0.00 0.02 0.00 0.00 34.50 31.35 2qky s PRO 532 CO 0.58 -0.20 0.51 0.72 -0.33 0.00 0.00 177.00 178.28 2qky n HIS 533 N 0.62 -1.38 -1.55 6.54 8.25 -1.26 -4.88 115.22 121.57 2qky n HIS 533 Ca 0.01 0.44 -0.48 0.00 -0.26 0.00 0.00 57.72 57.43 2qky n HIS 533 Cb 0.43 -3.12 -0.05 0.00 1.12 0.00 0.00 29.99 28.37 2qky n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qky n PHE 534 N -3.93 1.88 -3.54 4.41 7.35 -1.16 -4.92 117.46 117.55 2qky n PHE 534 Ca -0.03 0.12 -0.41 0.00 -0.76 0.00 0.00 57.45 56.36 2qky n PHE 534 Cb 0.55 -2.61 -0.07 0.00 0.35 0.00 0.00 39.48 37.70 2qky n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2qky s ASP 535 N 6.72 5.84 0.00 -2.13 3.68 -1.26 -4.93 116.67 124.59 2qky s ASP 535 Ca 1.03 -2.31 0.00 0.00 2.13 0.00 0.00 52.55 53.40 2qky s ASP 535 Cb -0.69 -2.02 0.00 0.00 -1.45 0.00 0.00 42.92 38.75 2qky s ASP 535 CO 0.47 -0.59 0.18 2.29 0.13 0.00 0.00 175.17 177.64 2qky n LYS 536 N 4.36 0.22 0.04 4.34 2.85 -1.26 -0.51 118.16 128.20 2qky n LYS 536 Ca 0.01 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.37 2qky n LYS 536 Cb 0.41 -1.04 -0.09 0.00 -0.65 0.00 0.00 35.03 33.66 2qky n LYS 536 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2qky n SER 537 N -0.16 0.40 -4.86 -5.58 3.41 -1.26 -4.37 113.62 101.20 2qky n SER 537 Ca 0.00 0.16 -0.23 0.00 -0.26 0.00 0.00 58.87 58.54 2qky n SER 537 Cb 0.02 1.23 -0.04 0.00 -0.26 0.00 0.00 64.21 65.16 2qky n SER 537 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2qky s LYS 538 N -3.40 3.07 0.05 4.33 1.02 0.33 -4.98 119.74 120.16 2qky s LYS 538 Ca -0.05 -0.92 -0.20 0.00 0.02 0.00 0.00 55.97 54.82 2qky s LYS 538 Cb 0.12 -2.68 -0.06 0.00 -0.52 0.00 0.00 37.83 34.69 2qky s LYS 538 CO 0.85 0.43 0.60 0.15 -0.92 0.00 0.00 175.35 176.46 2qky s LYS 539 N -3.68 4.28 -0.08 1.68 3.01 -1.26 -4.32 119.74 119.37 2qky s LYS 539 Ca 0.33 0.78 0.03 0.00 -1.01 0.00 0.00 55.97 56.09 2qky s LYS 539 Cb -0.09 -3.28 0.01 0.00 -1.01 0.00 0.00 37.83 33.46 2qky s LYS 539 CO 0.26 0.53 -0.16 0.71 0.51 0.00 0.00 175.35 177.20 2qky s TYR 540 N -0.77 1.81 1.16 3.18 2.02 -0.58 -4.76 117.35 119.42 2qky s TYR 540 Ca 0.30 -0.73 -0.19 0.00 -0.37 0.00 0.00 57.07 56.09 2qky s TYR 540 Cb -0.19 -1.29 0.29 0.00 -0.40 0.00 0.00 41.96 40.37 2qky s TYR 540 CO 0.19 -0.35 0.65 -0.35 -1.57 0.00 0.00 175.55 174.12 2qky n PRO 541 N 3.82 -3.71 -3.65 -1.71 -0.04 -1.26 -1.83 135.00 126.63 2qky n PRO 541 Ca -0.21 -1.10 -0.07 0.00 -0.04 0.00 0.00 63.50 62.08 2qky n PRO 541 Cb 0.52 -1.54 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 2qky n PRO 541 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2qky s LEU 542 N 0.00 -0.88 -0.25 1.53 0.20 -0.49 -3.05 118.68 115.75 2qky s LEU 542 Ca 0.50 1.46 -0.06 0.00 0.69 0.00 0.00 54.13 56.73 2qky s LEU 542 Cb -0.09 2.29 -0.01 0.00 -0.43 0.00 0.00 46.19 47.94 2qky s LEU 542 CO 0.42 -0.23 0.03 -0.22 -0.29 0.00 0.00 176.35 176.05 2qky s LEU 543 N 1.67 3.29 -0.57 -0.68 2.96 0.17 -0.49 118.68 125.03 2qky s LEU 543 Ca -0.10 -0.36 -0.22 0.00 -0.22 0.00 0.00 54.13 53.23 2qky s LEU 543 Cb -0.06 -1.84 0.05 0.00 0.50 0.00 0.00 46.19 44.84 2qky s LEU 543 CO -0.19 -0.05 0.87 -0.22 -1.32 0.00 0.00 176.35 175.44 2qky s LEU 544 N 1.54 4.40 -0.30 -0.68 2.96 -0.67 -1.19 118.68 124.74 2qky s LEU 544 Ca 0.06 -0.66 -0.29 0.00 -0.22 0.00 0.00 54.13 53.01 2qky s LEU 544 Cb -0.15 -2.63 0.02 0.00 0.50 0.00 0.00 46.19 43.93 2qky s LEU 544 CO 0.01 -1.20 1.08 -0.62 -1.32 0.00 0.00 176.35 174.29 2qky s ASP 545 N 3.04 6.96 -0.00 3.68 -1.08 0.55 -2.36 116.67 127.46 2qky s ASP 545 Ca 0.24 1.13 0.02 0.00 -0.52 0.00 0.00 52.55 53.42 2qky s ASP 545 Cb -0.15 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 38.76 2qky s ASP 545 CO 0.15 -0.84 -0.08 0.54 0.52 0.00 0.00 175.17 175.46 2qky s VAL 546 N 3.58 0.63 0.00 1.11 0.11 -0.98 -4.17 120.40 120.67 2qky s VAL 546 Ca 0.45 -0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 2qky s VAL 546 Cb -0.13 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 2qky s VAL 546 CO 0.14 0.16 0.00 0.00 -3.33 0.00 0.00 175.10 172.07 2qky n TYR 547 N 2.85 0.00 -0.65 1.54 9.36 -1.26 -4.33 117.16 124.66 2qky n TYR 547 Ca -0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.09 2qky n TYR 547 Cb 0.57 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.28 2qky n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2qky n ALA 548 N -1.98 0.00 -1.21 2.98 0.00 -1.26 -3.35 120.51 115.69 2qky n ALA 548 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2qky n ALA 548 Cb 0.38 -0.16 0.13 0.00 0.00 0.00 0.00 19.45 19.80 2qky n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qky s GLY 549 N -0.65 1.62 0.13 0.00 0.00 -1.26 -4.85 107.32 102.30 2qky s GLY 549 Ca 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 44.72 44.33 2qky s GLY 549 CO 0.00 0.44 1.28 -1.05 0.00 0.00 0.00 173.10 173.77 2qky n PRO 550 N -3.85 1.21 -3.98 2.90 -0.02 -1.26 -1.19 135.00 128.81 2qky n PRO 550 Ca 0.07 0.43 -0.31 0.00 -2.02 0.00 0.00 63.50 61.67 2qky n PRO 550 Cb 0.55 -2.02 0.02 0.00 -0.02 0.00 0.00 33.50 32.02 2qky n PRO 550 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qky n SER 552 N -2.80 0.95 -3.15 0.00 3.41 -0.33 -4.09 113.62 107.60 2qky n SER 552 Ca 0.04 -1.72 0.05 0.00 -0.26 0.00 0.00 58.87 56.98 2qky n SER 552 Cb 0.52 -0.26 -0.00 0.00 -0.26 0.00 0.00 64.21 64.21 2qky n SER 552 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2qky s GLN 553 N -3.49 0.22 0.00 4.33 0.74 -1.26 -0.34 119.66 119.85 2qky s GLN 553 Ca 0.32 0.23 0.24 0.00 0.05 0.00 0.00 55.36 56.20 2qky s GLN 553 Cb -0.02 0.11 0.24 0.00 1.10 0.00 0.00 33.01 34.44 2qky s GLN 553 CO 0.21 -0.39 1.25 1.63 -0.55 0.00 0.00 175.29 177.44 2qky n LYS 554 N 5.20 1.17 -3.70 1.67 4.76 -1.26 -4.79 118.16 121.21 2qky n LYS 554 Ca 0.07 -0.90 -0.38 0.00 -2.87 0.00 0.00 58.31 54.22 2qky n LYS 554 Cb 0.57 -1.48 -0.12 0.00 -1.84 0.00 0.00 35.03 32.16 2qky n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qky s ALA 555 N -2.45 3.18 0.13 7.82 0.00 -1.26 -4.87 121.76 124.31 2qky s ALA 555 Ca 0.21 -1.48 -0.02 0.00 0.00 0.00 0.00 51.96 50.66 2qky s ALA 555 Cb 0.19 -2.31 0.01 0.00 0.00 0.00 0.00 23.12 21.01 2qky s ALA 555 CO 0.54 -1.01 0.21 -0.40 0.00 0.00 0.00 175.76 175.10 2qky n ASP 556 N 4.93 -0.61 -1.10 0.00 5.68 -1.26 -4.38 116.55 119.81 2qky n ASP 556 Ca -0.14 -1.64 0.06 0.00 -0.50 0.00 0.00 54.79 52.57 2qky n ASP 556 Cb 0.48 1.07 0.27 0.00 -1.14 0.00 0.00 41.12 41.80 2qky n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2qky n THR 557 N -0.20 2.42 -1.81 2.12 -2.24 -1.02 -4.96 114.28 108.58 2qky n THR 557 Ca -0.01 -1.93 -0.32 0.00 -2.27 0.00 0.00 64.05 59.52 2qky n THR 557 Cb 0.21 -0.28 0.03 0.00 -2.10 0.00 0.00 70.33 68.19 2qky n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qky s VAL 558 N -2.90 3.97 -0.30 2.28 1.01 -1.26 -2.16 120.40 121.04 2qky s VAL 558 Ca 0.45 0.77 -0.07 0.00 0.00 0.00 0.00 61.98 63.12 2qky s VAL 558 Cb 0.37 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 33.34 2qky s VAL 558 CO 0.09 -0.70 0.10 0.12 0.00 0.00 0.00 175.10 174.70 2qky s PHE 559 N -2.78 3.16 0.20 5.22 5.36 -1.16 -4.84 117.98 123.13 2qky s PHE 559 Ca 0.60 -0.89 0.11 0.00 -0.96 0.00 0.00 56.93 55.80 2qky s PHE 559 Cb -0.15 -2.28 -0.04 0.00 -0.34 0.00 0.00 43.02 40.21 2qky s PHE 559 CO 0.46 -0.55 -0.23 1.03 -1.46 0.00 0.00 175.22 174.47 2qky s ARG 560 N 1.52 1.56 -0.28 10.12 0.52 -1.26 -4.89 118.95 126.24 2qky s ARG 560 Ca 0.03 -1.52 0.03 0.00 -0.52 0.00 0.00 55.73 53.74 2qky s ARG 560 Cb -0.17 -1.86 0.07 0.00 0.52 0.00 0.00 34.95 33.51 2qky s ARG 560 CO 0.03 0.40 -0.05 -0.51 0.02 0.00 0.00 175.30 175.19 2qky s LEU 561 N -2.72 3.65 0.00 2.53 1.43 -1.26 -4.88 118.68 117.43 2qky s LEU 561 Ca 0.21 -1.59 -0.13 0.00 -1.03 0.00 0.00 54.13 51.60 2qky s LEU 561 Cb -0.08 -1.50 0.05 0.00 0.03 0.00 0.00 46.19 44.69 2qky s LEU 561 CO 0.10 -0.26 0.67 -0.46 0.23 0.00 0.00 176.35 176.64 2qky n ASN 562 N 4.43 -1.95 -0.26 2.29 0.23 -1.26 -4.99 115.26 113.75 2qky n ASN 562 Ca -0.08 -2.35 0.20 0.00 -0.53 0.00 0.00 54.58 51.82 2qky n ASN 562 Cb 0.42 3.25 0.37 0.00 -2.08 0.00 0.00 39.78 41.74 2qky n ASN 562 CO 0.00 0.00 0.00 1.87 -0.93 0.00 0.00 177.26 178.20 2qky n TRP 563 N -0.45 0.75 -0.03 -2.53 -0.00 -1.26 0.16 117.44 114.08 2qky n TRP 563 Ca -0.08 0.92 -0.10 0.00 -0.00 0.00 0.00 57.50 58.24 2qky n TRP 563 Cb 0.50 -1.24 -0.04 0.00 -0.00 0.00 0.00 31.31 30.54 2qky n TRP 563 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2qky h ALA 564 N 1.55 0.22 -0.70 5.87 0.00 -1.98 0.58 119.26 124.79 2qky h ALA 564 Ca 0.59 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.63 2qky h ALA 564 Cb 1.45 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 19.04 2qky h ALA 564 CO -0.65 -0.29 -0.11 1.15 0.00 0.00 0.00 179.25 179.35 2qky h THR 565 N 0.24 0.33 0.82 0.00 2.02 0.13 0.51 112.91 116.96 2qky h THR 565 Ca 0.06 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 2qky h THR 565 Cb -0.03 0.29 0.01 0.00 -1.74 0.00 0.00 68.15 66.68 2qky h THR 565 CO -0.01 0.01 -0.40 0.22 0.37 0.00 0.00 175.52 175.71 2qky h TYR 566 N 0.04 -1.03 -0.72 3.16 3.20 -1.09 0.46 116.97 120.99 2qky h TYR 566 Ca 0.35 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.32 2qky h TYR 566 Cb 0.57 0.34 -0.13 0.00 1.54 0.00 0.00 36.73 39.06 2qky h TYR 566 CO -0.50 -0.64 -0.36 -0.07 -1.64 0.00 0.00 178.16 174.94 2qky h LEU 567 N -1.22 -1.29 -0.06 2.82 3.38 0.04 0.22 115.31 119.20 2qky h LEU 567 Ca -0.11 0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2qky h LEU 567 Cb 0.85 0.65 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 2qky h LEU 567 CO 0.19 -0.30 -0.00 0.00 0.09 0.00 0.00 178.44 178.41 2qky h ALA 568 N 1.07 0.08 0.42 1.53 0.00 0.04 -1.28 119.26 121.13 2qky h ALA 568 Ca 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2qky h ALA 568 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2qky h ALA 568 CO -0.78 -0.24 -0.20 1.03 0.00 0.00 0.00 179.25 179.06 2qky h SER 569 N -0.18 -0.48 0.00 0.00 0.87 0.60 -2.75 113.55 111.62 2qky h SER 569 Ca 0.02 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2qky h SER 569 Cb 0.34 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2qky h SER 569 CO 0.00 -0.12 -0.00 0.74 -0.53 0.00 0.00 176.83 176.93 2qky h THR 570 N -0.89 1.26 0.00 2.23 2.02 -0.72 -3.36 112.91 113.45 2qky h THR 570 Ca -0.06 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.19 2qky h THR 570 Cb 0.56 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 2qky h THR 570 CO 0.09 0.43 0.00 -0.62 0.37 0.00 0.00 175.52 175.79 2qky n GLU 571 N -4.66 0.08 -2.88 6.66 -0.58 -0.56 -4.91 120.64 113.78 2qky n GLU 571 Ca -0.07 0.03 -0.22 0.00 -0.42 0.00 0.00 57.16 56.48 2qky n GLU 571 Cb 0.34 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.73 2qky n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2qky n ASN 572 N -1.46 -6.14 -4.79 1.62 5.03 -0.72 -4.95 115.26 103.86 2qky n ASN 572 Ca 0.08 -0.23 -0.36 0.00 0.87 0.00 0.00 54.58 54.94 2qky n ASN 572 Cb 0.30 -4.99 -0.07 0.00 -1.02 0.00 0.00 39.78 34.00 2qky n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2qky s ILE 573 N -3.16 5.36 -0.17 2.41 1.01 -0.98 -4.56 121.20 121.11 2qky s ILE 573 Ca 0.23 0.39 -0.22 0.00 0.00 0.00 0.00 60.65 61.05 2qky s ILE 573 Cb -0.10 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 2qky s ILE 573 CO 0.29 0.50 0.67 -0.63 0.00 0.00 0.00 174.94 175.76 2qky s ILE 574 N -0.22 5.01 -0.19 2.92 1.01 -1.17 -3.27 121.20 125.27 2qky s ILE 574 Ca 0.15 1.28 -0.09 0.00 0.00 0.00 0.00 60.65 61.99 2qky s ILE 574 Cb -0.13 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 2qky s ILE 574 CO 0.04 0.12 0.11 -0.69 0.00 0.00 0.00 174.94 174.52 2qky s VAL 575 N 1.75 5.24 0.01 2.92 1.01 -1.06 -0.66 120.40 129.62 2qky s VAL 575 Ca 0.31 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.44 2qky s VAL 575 Cb -0.16 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2qky s VAL 575 CO 0.12 0.45 -0.06 0.00 0.00 0.00 0.00 175.10 175.61 2qky s ALA 576 N 0.33 0.44 0.19 5.51 0.00 -0.33 0.41 121.76 128.31 2qky s ALA 576 Ca 0.07 -0.42 0.10 0.00 0.00 0.00 0.00 51.96 51.71 2qky s ALA 576 Cb -0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2qky s ALA 576 CO -0.01 0.04 -0.19 -1.12 0.00 0.00 0.00 175.76 174.48 2qky s SER 577 N -0.69 2.96 -0.05 0.00 0.01 -0.86 -0.33 113.70 114.75 2qky s SER 577 Ca -0.03 -0.91 -0.02 0.00 1.31 0.00 0.00 55.95 56.30 2qky s SER 577 Cb -0.05 -0.20 0.03 0.00 0.21 0.00 0.00 66.02 66.01 2qky s SER 577 CO -0.00 -0.01 0.11 0.12 0.41 0.00 0.00 173.24 173.87 2qky s PHE 578 N -2.16 -0.11 -0.48 2.43 5.36 -1.26 -2.48 117.98 119.27 2qky s PHE 578 Ca 0.20 0.36 -0.12 0.00 -0.96 0.00 0.00 56.93 56.41 2qky s PHE 578 Cb -0.05 -0.09 0.11 0.00 -0.34 0.00 0.00 43.02 42.65 2qky s PHE 578 CO 0.09 -0.12 0.38 -0.51 -1.46 0.00 0.00 175.22 173.59 2qky s ASP 579 N 0.90 5.86 0.00 6.13 1.01 -0.48 -4.80 116.67 125.29 2qky s ASP 579 Ca -0.07 -1.77 0.00 0.00 0.71 0.00 0.00 52.55 51.42 2qky s ASP 579 Cb -0.09 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.76 2qky s ASP 579 CO -0.04 -0.71 0.00 0.61 0.21 0.00 0.00 175.17 175.24 2qky n GLY 580 N 5.03 2.53 3.65 0.21 0.00 -1.26 -3.93 105.19 111.42 2qky n GLY 580 Ca -0.10 -2.02 -0.52 0.00 0.00 0.00 0.00 46.02 43.38 2qky n GLY 580 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qky n ARG 581 N 0.00 1.48 0.00 1.61 1.74 -1.26 -1.59 116.66 118.64 2qky n ARG 581 Ca 0.00 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.62 2qky n ARG 581 Cb 0.00 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.19 2qky n ARG 581 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qky n GLY 582 N 3.39 1.57 3.11 -0.13 0.00 -0.02 -3.70 105.19 109.41 2qky n GLY 582 Ca 0.21 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 2qky n GLY 582 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qky n SER 583 N 0.01 -2.92 -4.18 1.61 3.41 -0.62 -0.84 113.62 110.09 2qky n SER 583 Ca 0.00 -0.35 -0.25 0.00 -0.26 0.00 0.00 58.87 58.01 2qky n SER 583 Cb 0.00 -0.84 -0.04 0.00 -0.26 0.00 0.00 64.21 63.07 2qky n SER 583 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qky n GLY 584 N 2.29 3.51 2.41 5.00 0.00 0.54 -3.24 105.19 115.69 2qky n GLY 584 Ca 0.05 -2.33 -0.18 0.00 0.00 0.00 0.00 46.02 43.56 2qky n GLY 584 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qky n TYR 585 N -1.13 -0.96 -2.05 1.61 4.01 -1.26 -4.86 117.16 112.52 2qky n TYR 585 Ca -0.14 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2qky n TYR 585 Cb 0.51 -3.61 -0.00 0.00 -0.31 0.00 0.00 39.34 35.94 2qky n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2qky n GLN 586 N -2.83 0.00 0.00 -0.72 6.02 -1.26 -4.72 117.38 113.87 2qky n GLN 586 Ca -0.20 -0.80 0.00 0.00 -0.01 0.00 0.00 57.00 56.00 2qky n GLN 586 Cb 0.65 -0.25 0.00 0.00 1.02 0.00 0.00 30.24 31.66 2qky n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qky n GLY 587 N 0.05 0.57 0.14 1.08 0.00 -1.26 -4.58 105.19 101.19 2qky n GLY 587 Ca -0.01 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2qky n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qky h ASP 588 N 0.00 0.00 -0.98 1.61 3.32 0.12 -2.84 116.42 117.65 2qky h ASP 588 Ca 0.00 0.00 0.27 0.00 0.02 0.00 0.00 57.03 57.32 2qky h ASP 588 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 2qky h ASP 588 CO 0.00 0.59 0.53 0.50 -1.72 0.00 0.00 179.24 179.13 2qky h LYS 589 N 0.00 0.41 0.00 3.56 1.63 -1.84 0.01 116.57 120.35 2qky h LYS 589 Ca -0.01 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.60 2qky h LYS 589 Cb 1.15 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.67 2qky h LYS 589 CO 0.08 0.27 -1.08 -0.89 -3.45 0.00 0.00 179.45 174.38 2qky n ILE 590 N -5.00 1.50 -0.23 2.00 5.41 -1.21 -3.95 119.36 117.87 2qky n ILE 590 Ca 0.28 0.04 -0.02 0.00 1.00 0.00 0.00 62.75 64.05 2qky n ILE 590 Cb 0.82 -2.15 0.09 0.00 -0.71 0.00 0.00 39.64 37.69 2qky n ILE 590 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 2qky h MET 591 N -1.00 0.69 0.00 0.38 4.05 -1.25 0.10 114.93 117.91 2qky h MET 591 Ca -0.25 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 2qky h MET 591 Cb 1.06 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.70 2qky h MET 591 CO -0.15 0.46 -0.17 0.72 0.23 0.00 0.00 176.91 178.00 2qky n HIS 592 N -4.77 0.19 -0.07 1.39 8.25 -0.03 -4.02 115.22 116.17 2qky n HIS 592 Ca 0.08 0.06 0.23 0.00 -0.26 0.00 0.00 57.72 57.83 2qky n HIS 592 Cb 0.16 -0.53 0.49 0.00 1.12 0.00 0.00 29.99 31.23 2qky n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qky h ALA 593 N 2.88 2.61 -0.49 -1.41 0.00 -1.57 1.18 119.26 122.47 2qky h ALA 593 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qky h ALA 593 Cb 0.56 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2qky h ALA 593 CO 0.00 -1.36 0.00 0.44 0.00 0.00 0.00 179.25 178.33 2qky n ILE 594 N -3.27 1.77 -1.65 0.00 -5.35 -1.26 -4.94 119.36 104.65 2qky n ILE 594 Ca 0.16 -1.32 -0.46 0.00 -0.27 0.00 0.00 62.75 60.86 2qky n ILE 594 Cb 1.21 0.12 -0.04 0.00 -1.74 0.00 0.00 39.64 39.19 2qky n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2qky n ASN 595 N 0.59 2.64 0.00 7.28 4.05 0.41 -1.32 115.26 128.91 2qky n ASN 595 Ca 0.22 1.12 0.00 0.00 0.45 0.00 0.00 54.58 56.36 2qky n ASN 595 Cb 0.79 -1.38 0.00 0.00 1.23 0.00 0.00 39.78 40.42 2qky n ASN 595 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2qky n ARG 596 N 2.61 -1.30 -2.71 1.20 1.74 0.72 -4.80 116.66 114.12 2qky n ARG 596 Ca 0.15 0.32 -0.15 0.00 -0.77 0.00 0.00 57.85 57.40 2qky n ARG 596 Cb 0.28 -4.76 0.01 0.00 -1.02 0.00 0.00 32.46 26.97 2qky n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2qky n ARG 597 N -0.04 1.67 -1.28 5.56 3.00 -0.43 -4.89 116.66 120.25 2qky n ARG 597 Ca 0.00 -3.60 -0.34 0.00 -0.01 0.00 0.00 57.85 53.90 2qky n ARG 597 Cb 0.32 -1.56 0.11 0.00 0.00 0.00 0.00 32.46 31.33 2qky n ARG 597 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2qky s LEU 598 N -3.12 3.26 -0.69 0.55 1.43 -1.24 -3.03 118.68 115.83 2qky s LEU 598 Ca 0.34 2.45 -0.00 0.00 -1.03 0.00 0.00 54.13 55.88 2qky s LEU 598 Cb 0.42 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 42.05 2qky s LEU 598 CO -0.03 -2.51 0.07 0.61 0.23 0.00 0.00 176.35 174.72 2qky n GLY 599 N 0.62 0.07 0.00 -3.19 0.00 -1.26 -4.87 105.19 96.56 2qky n GLY 599 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2qky n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qky n THR 600 N -3.94 0.00 -0.12 2.61 -2.24 -1.17 -4.82 114.28 104.60 2qky n THR 600 Ca -0.08 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.61 2qky n THR 600 Cb 0.57 -0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.67 2qky n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2qky h PHE 601 N 0.00 0.53 0.00 4.78 0.04 -1.91 0.25 116.94 120.63 2qky h PHE 601 Ca 0.00 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 2qky h PHE 601 Cb 0.00 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 37.98 2qky h PHE 601 CO 0.00 0.42 -0.07 1.05 -0.60 0.00 0.00 178.31 179.11 2qky h GLU 602 N 0.49 0.00 0.04 1.51 9.09 -1.91 0.54 114.58 124.34 2qky h GLU 602 Ca 0.13 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.49 2qky h GLU 602 Cb 0.07 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.17 2qky h GLU 602 CO -0.02 0.07 -0.26 0.28 0.05 0.00 0.00 179.01 179.13 2qky h VAL 603 N 0.00 1.70 -0.14 -1.06 2.07 -1.70 -3.07 116.25 114.05 2qky h VAL 603 Ca -0.00 -2.40 -0.03 0.00 0.82 0.00 0.00 66.70 65.08 2qky h VAL 603 Cb 0.21 3.32 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 2qky h VAL 603 CO 0.01 0.64 -0.06 -0.33 0.02 0.00 0.00 177.57 177.85 2qky h GLU 604 N -0.81 0.21 -0.09 1.57 5.08 0.26 -2.99 114.58 117.80 2qky h GLU 604 Ca -0.05 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.08 2qky h GLU 604 Cb 1.20 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.42 2qky h GLU 604 CO 0.04 0.29 -0.69 -0.44 -1.00 0.00 0.00 179.01 177.20 2qky h ASP 605 N 0.20 0.77 -0.97 1.42 3.32 -0.02 -2.75 116.42 118.39 2qky h ASP 605 Ca 0.05 -0.67 0.09 0.00 0.02 0.00 0.00 57.03 56.52 2qky h ASP 605 Cb 0.24 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.49 2qky h ASP 605 CO 0.01 1.32 0.61 1.56 -1.72 0.00 0.00 179.24 181.03 2qky h GLN 606 N 0.29 1.03 0.04 3.56 1.08 -1.42 -1.14 115.11 118.53 2qky h GLN 606 Ca -0.06 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 2qky h GLN 606 Cb 1.34 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 2qky h GLN 606 CO 0.14 0.68 -0.02 0.82 -0.95 0.00 0.00 178.83 179.50 2qky h ILE 607 N 1.06 0.99 -0.56 2.54 2.04 -1.52 -1.27 117.51 120.78 2qky h ILE 607 Ca 0.45 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 66.32 2qky h ILE 607 Cb 0.30 1.04 -0.07 0.00 -0.74 0.00 0.00 36.82 37.35 2qky h ILE 607 CO -0.21 0.02 0.17 -0.33 0.00 0.00 0.00 178.15 177.79 2qky h GLU 608 N -0.08 0.31 0.12 2.37 4.39 -1.00 0.42 114.58 121.11 2qky h GLU 608 Ca -0.00 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.69 2qky h GLU 608 Cb 0.07 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 2qky h GLU 608 CO 0.01 0.21 -0.24 0.00 -1.16 0.00 0.00 179.01 177.83 2qky h ALA 609 N 1.41 -0.41 -0.88 3.43 0.00 -0.94 0.68 119.26 122.55 2qky h ALA 609 Ca 0.28 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2qky h ALA 609 Cb 0.37 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 2qky h ALA 609 CO -0.32 -0.78 0.58 0.00 0.00 0.00 0.00 179.25 178.73 2qky h ALA 610 N 0.31 1.13 -0.73 0.00 0.00 -0.37 0.43 119.26 120.03 2qky h ALA 610 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2qky h ALA 610 Cb 0.47 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2qky h ALA 610 CO -0.13 0.48 0.41 -0.09 0.00 0.00 0.00 179.25 179.91 2qky h ARG 611 N 1.16 1.01 0.49 0.00 2.43 0.42 1.02 114.38 120.90 2qky h ARG 611 Ca 0.33 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 2qky h ARG 611 Cb -0.08 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.27 2qky h ARG 611 CO -0.09 0.74 -0.24 1.96 -1.51 0.00 0.00 179.97 180.84 2qky h GLN 612 N 1.00 -0.64 -0.91 0.20 4.20 0.17 -2.86 115.11 116.28 2qky h GLN 612 Ca 0.26 0.04 0.17 0.00 0.06 0.00 0.00 58.65 59.18 2qky h GLN 612 Cb 0.02 0.14 -0.08 0.00 0.30 0.00 0.00 27.48 27.87 2qky h GLN 612 CO -0.04 -0.35 0.59 0.74 -0.67 0.00 0.00 178.83 179.10 2qky h PHE 613 N -1.06 0.76 -1.04 2.96 0.04 -0.03 0.11 116.94 118.67 2qky h PHE 613 Ca -0.07 0.02 0.28 0.00 2.80 0.00 0.00 57.97 61.00 2qky h PHE 613 Cb 0.58 -0.23 -0.07 0.00 2.20 0.00 0.00 35.95 38.43 2qky h PHE 613 CO 0.01 0.23 0.70 1.03 -0.60 0.00 0.00 178.31 179.69 2qky h SER 614 N 0.60 0.26 -0.05 2.17 0.87 0.13 0.24 113.55 117.77 2qky h SER 614 Ca 0.48 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 2qky h SER 614 Cb 0.92 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2qky h SER 614 CO -0.22 0.06 0.00 0.29 -0.53 0.00 0.00 176.83 176.43 2qky n LYS 615 N -4.44 1.85 -1.28 2.24 5.02 0.37 -4.32 118.16 117.59 2qky n LYS 615 Ca 0.24 -1.24 -0.31 0.00 -2.02 0.00 0.00 58.31 54.97 2qky n LYS 615 Cb 0.96 -1.47 0.09 0.00 -0.02 0.00 0.00 35.03 34.60 2qky n LYS 615 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2qky s MET 616 N -1.96 2.20 0.29 1.97 -1.94 0.84 -4.94 119.30 115.76 2qky s MET 616 Ca 0.35 1.26 0.01 0.00 -1.71 0.00 0.00 55.69 55.60 2qky s MET 616 Cb 0.20 -1.88 0.45 0.00 2.01 0.00 0.00 34.83 35.61 2qky s MET 616 CO 0.32 -1.70 1.82 0.78 -0.01 0.00 0.00 175.02 176.23 2qky h GLY 617 N -1.02 0.75 -3.99 -0.03 0.00 -1.91 -3.28 103.07 93.59 2qky h GLY 617 Ca -0.44 -0.46 -0.53 0.00 0.00 0.00 0.00 47.33 45.89 2qky h GLY 617 CO 0.51 0.43 0.68 1.97 0.00 0.00 0.00 176.54 180.13 2qky n PHE 618 N -4.25 3.08 -3.98 5.60 1.16 -1.26 -4.65 117.46 113.16 2qky n PHE 618 Ca 0.02 -1.96 -0.17 0.00 -1.87 0.00 0.00 57.45 53.48 2qky n PHE 618 Cb 0.26 -1.00 -0.16 0.00 -1.61 0.00 0.00 39.48 36.98 2qky n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2qky s VAL 619 N -3.44 0.23 -0.36 1.97 1.01 -1.24 -1.53 120.40 117.05 2qky s VAL 619 Ca 0.58 0.01 -0.28 0.00 0.00 0.00 0.00 61.98 62.29 2qky s VAL 619 Cb 0.48 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.59 2qky s VAL 619 CO 0.10 0.14 1.05 -0.62 0.00 0.00 0.00 175.10 175.76 2qky s ASP 620 N 0.76 6.82 0.34 3.32 -1.08 -0.76 -4.68 116.67 121.38 2qky s ASP 620 Ca -0.08 0.84 0.05 0.00 -0.52 0.00 0.00 52.55 52.84 2qky s ASP 620 Cb -0.11 -2.52 0.61 0.00 -1.46 0.00 0.00 42.92 39.43 2qky s ASP 620 CO -0.01 -0.94 1.85 -0.55 0.52 0.00 0.00 175.17 176.04 2qky h ASN 621 N 8.37 0.41 0.00 -0.34 -0.00 -1.91 -2.31 115.58 119.80 2qky h ASN 621 Ca -0.22 -0.09 0.00 0.00 -0.00 0.00 0.00 56.30 55.99 2qky h ASN 621 Cb 1.06 -0.11 0.00 0.00 -0.00 0.00 0.00 38.32 39.28 2qky h ASN 621 CO 1.04 0.55 0.00 0.29 -0.00 0.00 0.00 177.43 179.31 2qky n LYS 622 N -4.24 0.88 -2.73 4.14 5.02 -1.26 -3.88 118.16 116.09 2qky n LYS 622 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.22 2qky n LYS 622 Cb 0.29 -1.37 0.07 0.00 -0.02 0.00 0.00 35.03 34.01 2qky n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qky n ARG 623 N 0.16 0.80 -4.10 1.97 1.74 -0.87 -5.00 116.66 111.36 2qky n ARG 623 Ca 0.00 -1.69 -0.30 0.00 -0.77 0.00 0.00 57.85 55.09 2qky n ARG 623 Cb 0.26 -1.16 -0.16 0.00 -1.02 0.00 0.00 32.46 30.38 2qky n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qky s ILE 624 N 0.46 1.61 0.54 0.55 1.01 -1.25 -1.40 121.20 122.72 2qky s ILE 624 Ca 0.27 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.31 2qky s ILE 624 Cb 0.25 -1.49 0.04 0.00 0.01 0.00 0.00 42.46 41.26 2qky s ILE 624 CO -0.16 0.46 0.38 0.00 0.00 0.00 0.00 174.94 175.62 2qky s ALA 625 N 1.40 4.41 -0.19 9.38 0.00 0.35 -1.35 121.76 135.77 2qky s ALA 625 Ca 0.03 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.69 2qky s ALA 625 Cb -0.13 -0.68 0.06 0.00 0.00 0.00 0.00 23.12 22.37 2qky s ALA 625 CO -0.10 -0.42 0.46 -1.50 0.00 0.00 0.00 175.76 174.21 2qky s ILE 626 N -2.78 -0.02 0.02 0.00 2.07 -1.09 -1.68 121.20 117.73 2qky s ILE 626 Ca 0.32 0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.61 2qky s ILE 626 Cb -0.02 -0.67 -0.02 0.00 0.13 0.00 0.00 42.46 41.88 2qky s ILE 626 CO 0.20 0.03 0.01 -1.66 -1.91 0.00 0.00 174.94 171.61 2qky s TRP 627 N 1.31 0.26 -0.15 3.50 1.48 -0.99 -1.19 118.94 123.15 2qky s TRP 627 Ca -0.09 -0.55 -0.29 0.00 -1.06 0.00 0.00 56.10 54.12 2qky s TRP 627 Cb -0.07 -0.19 0.11 0.00 -1.16 0.00 0.00 33.47 32.15 2qky s TRP 627 CO -0.12 -0.25 0.89 0.20 -4.06 0.00 0.00 176.95 173.61 2qky s GLY 628 N -1.74 -0.36 0.23 3.67 0.00 -0.72 -2.33 107.32 106.08 2qky s GLY 628 Ca -0.11 1.92 0.07 0.00 0.00 0.00 0.00 44.72 46.59 2qky s GLY 628 CO -0.02 1.17 0.17 0.86 0.00 0.00 0.00 173.10 175.28 2qky s TRP 629 N -0.85 3.10 0.00 1.90 -0.11 -1.26 -1.29 118.94 120.43 2qky s TRP 629 Ca -0.04 -0.09 0.00 0.00 1.22 0.00 0.00 56.10 57.19 2qky s TRP 629 Cb -0.01 -1.42 0.00 0.00 -1.50 0.00 0.00 33.47 30.54 2qky s TRP 629 CO 0.03 0.52 0.00 0.45 -4.62 0.00 0.00 176.95 173.33 2qky n SER 630 N -0.98 0.00 -0.20 5.86 2.88 -0.27 -0.90 113.62 120.01 2qky n SER 630 Ca -0.08 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.38 2qky n SER 630 Cb 0.57 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.06 2qky n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2qky h TYR 631 N 0.00 0.88 -0.02 0.66 5.03 -1.87 -2.22 116.97 119.42 2qky h TYR 631 Ca 0.00 -0.07 0.01 0.00 2.58 0.00 0.00 58.73 61.25 2qky h TYR 631 Cb 0.00 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 38.02 2qky h TYR 631 CO 0.00 0.72 0.02 0.78 -1.32 0.00 0.00 178.16 178.36 2qky h GLY 632 N 0.79 0.00 0.78 1.82 0.00 -1.02 0.25 103.07 105.68 2qky h GLY 632 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 2qky h GLY 632 CO -0.01 0.00 0.01 -1.33 0.00 0.00 0.00 176.54 175.21 2qky h GLY 633 N 0.00 0.09 -0.06 4.60 0.00 -1.19 1.14 103.07 107.65 2qky h GLY 633 Ca 0.01 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.30 2qky h GLY 633 CO -0.00 0.06 -0.37 -1.82 0.00 0.00 0.00 176.54 174.41 2qky h TYR 634 N -0.15 -1.09 -0.29 5.60 3.20 -0.44 0.74 116.97 124.54 2qky h TYR 634 Ca 0.02 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.99 2qky h TYR 634 Cb 0.26 0.48 -0.08 0.00 1.54 0.00 0.00 36.73 38.93 2qky h TYR 634 CO 0.01 -0.38 -0.40 0.28 -1.64 0.00 0.00 178.16 176.03 2qky h VAL 635 N -0.42 0.15 -0.98 1.81 2.07 -0.83 0.63 116.25 118.69 2qky h VAL 635 Ca 0.02 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.75 2qky h VAL 635 Cb 0.47 0.15 -0.09 0.00 -1.52 0.00 0.00 31.29 30.31 2qky h VAL 635 CO -0.28 0.00 0.62 0.74 0.02 0.00 0.00 177.57 178.68 2qky h THR 636 N -0.38 0.64 -0.15 2.57 2.02 0.19 0.63 112.91 118.44 2qky h THR 636 Ca 0.12 -0.18 -0.13 0.00 0.77 0.00 0.00 66.41 66.99 2qky h THR 636 Cb 0.59 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2qky h THR 636 CO -0.49 0.09 -0.41 0.28 0.37 0.00 0.00 175.52 175.36 2qky h SER 637 N 0.51 0.62 -0.71 4.18 0.02 0.39 -0.57 113.55 117.99 2qky h SER 637 Ca 0.54 -0.59 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 2qky h SER 637 Cb 1.19 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.52 2qky h SER 637 CO -0.27 1.10 0.23 0.24 -1.14 0.00 0.00 176.83 176.99 2qky h MET 638 N 0.17 1.09 0.08 3.45 2.86 0.25 -1.46 114.93 121.37 2qky h MET 638 Ca -0.01 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2qky h MET 638 Cb 1.03 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.52 2qky h MET 638 CO 0.09 0.93 -0.04 0.28 1.06 0.00 0.00 176.91 179.23 2qky h VAL 639 N 1.04 1.09 -0.52 -2.22 2.07 0.14 -1.99 116.25 115.86 2qky h VAL 639 Ca 0.23 -0.61 0.15 0.00 0.82 0.00 0.00 66.70 67.29 2qky h VAL 639 Cb 0.29 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 2qky h VAL 639 CO -0.01 0.15 0.45 -0.07 0.02 0.00 0.00 177.57 178.11 2qky h LEU 640 N -0.38 0.00 -3.48 2.57 3.38 -0.88 0.27 115.31 116.79 2qky h LEU 640 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 2qky h LEU 640 Cb 0.33 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 2qky h LEU 640 CO 0.02 0.00 0.10 0.61 0.09 0.00 0.00 178.44 179.26 2qky n GLY 641 N -1.57 4.23 0.08 0.83 0.00 -0.57 -4.54 105.19 103.65 2qky n GLY 641 Ca 0.10 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 2qky n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qky h SER 642 N 1.75 0.12 0.00 1.61 4.64 -0.20 -3.45 113.55 118.03 2qky h SER 642 Ca 0.19 -0.82 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 2qky h SER 642 Cb 1.87 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 2qky h SER 642 CO 0.49 0.92 0.00 0.61 -0.87 0.00 0.00 176.83 177.98 2qky n GLY 643 N 1.14 1.29 0.44 -0.77 0.00 -1.26 -4.99 105.19 101.04 2qky n GLY 643 Ca -0.10 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.18 2qky n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qky h SER 644 N 0.00 0.29 -0.21 1.61 4.64 -1.92 -3.45 113.55 114.51 2qky h SER 644 Ca 0.00 0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.28 2qky h SER 644 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 2qky h SER 644 CO 0.00 0.06 -0.08 0.61 -0.87 0.00 0.00 176.83 176.55 2qky n GLY 645 N -1.57 0.53 0.09 -0.77 0.00 -1.26 -4.84 105.19 97.37 2qky n GLY 645 Ca 0.24 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 2qky n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qky h VAL 646 N 0.00 1.35 -3.33 1.61 2.07 -1.96 -3.45 116.25 112.53 2qky h VAL 646 Ca -0.09 -2.96 -0.67 0.00 0.82 0.00 0.00 66.70 63.80 2qky h VAL 646 Cb 0.83 2.66 -0.14 0.00 -1.52 0.00 0.00 31.29 33.12 2qky h VAL 646 CO 0.13 0.77 -0.63 -0.36 0.02 0.00 0.00 177.57 177.50 2qky s PHE 647 N -2.78 3.13 -0.19 1.57 0.08 -1.26 -4.59 117.98 113.94 2qky s PHE 647 Ca 0.01 0.15 -0.19 0.00 0.12 0.00 0.00 56.93 57.02 2qky s PHE 647 Cb 0.09 -1.73 -0.16 0.00 -0.57 0.00 0.00 43.02 40.65 2qky s PHE 647 CO 0.80 0.47 0.17 -0.22 -0.10 0.00 0.00 175.22 176.34 2qky h LYS 648 N 4.73 0.00 0.00 0.44 3.64 -1.54 -3.45 116.57 120.40 2qky h LYS 648 Ca -0.50 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.39 2qky h LYS 648 Cb 1.18 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.88 2qky h LYS 648 CO 0.56 0.79 -0.47 0.00 -2.27 0.00 0.00 179.45 178.05 2qky s GLY 650 N -3.39 -0.27 -0.09 0.00 0.00 -0.10 -2.66 107.32 100.82 2qky s GLY 650 Ca 0.38 1.64 0.01 0.00 0.00 0.00 0.00 44.72 46.75 2qky s GLY 650 CO 0.27 0.53 -0.10 -0.42 0.00 0.00 0.00 173.10 173.37 2qky s ILE 651 N -2.24 1.11 -0.27 0.90 1.01 -0.33 -1.68 121.20 119.70 2qky s ILE 651 Ca 0.11 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 2qky s ILE 651 Cb -0.00 -1.06 0.02 0.00 0.01 0.00 0.00 42.46 41.43 2qky s ILE 651 CO -0.04 0.36 0.00 0.00 0.00 0.00 0.00 174.94 175.27 2qky s ALA 652 N 1.11 2.86 -0.16 9.38 0.00 -0.44 -1.76 121.76 132.76 2qky s ALA 652 Ca -0.06 -1.50 -0.07 0.00 0.00 0.00 0.00 51.96 50.33 2qky s ALA 652 Cb -0.14 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 2qky s ALA 652 CO -0.02 -0.93 0.09 0.08 0.00 0.00 0.00 175.76 174.99 2qky s VAL 653 N 1.38 5.05 -0.64 0.00 1.01 -0.41 -1.10 120.40 125.69 2qky s VAL 653 Ca 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 2qky s VAL 653 Cb -0.17 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 32.98 2qky s VAL 653 CO -0.01 0.52 0.15 0.00 0.00 0.00 0.00 175.10 175.76 2qky n ALA 654 N 2.91 -1.60 -1.93 5.51 0.00 0.35 -1.12 120.51 124.63 2qky n ALA 654 Ca -0.18 -0.23 -0.26 0.00 0.00 0.00 0.00 53.44 52.77 2qky n ALA 654 Cb 0.53 -0.76 0.07 0.00 0.00 0.00 0.00 19.45 19.30 2qky n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qky s PRO 655 N -5.57 2.16 -0.06 0.00 0.04 -1.25 -3.67 135.00 126.65 2qky s PRO 655 Ca 0.11 -0.19 -0.13 0.00 0.04 0.00 0.00 61.00 60.83 2qky s PRO 655 Cb -0.06 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 2qky s PRO 655 CO 0.45 -1.29 0.32 0.08 0.04 0.00 0.00 177.00 176.60 2qky s VAL 656 N -3.30 5.20 -0.19 -0.36 1.01 -1.23 -4.35 120.40 117.18 2qky s VAL 656 Ca 0.60 0.64 0.01 0.00 0.00 0.00 0.00 61.98 63.23 2qky s VAL 656 Cb -0.11 -3.63 -0.12 0.00 0.00 0.00 0.00 36.38 32.53 2qky s VAL 656 CO 0.45 0.54 -0.17 -1.54 0.00 0.00 0.00 175.10 174.39 2qky n SER 657 N 2.27 2.49 -3.76 3.32 3.41 -1.26 -4.04 113.62 116.04 2qky n SER 657 Ca -0.15 -0.08 -0.13 0.00 -0.26 0.00 0.00 58.87 58.26 2qky n SER 657 Cb 0.53 -0.31 -0.13 0.00 -0.26 0.00 0.00 64.21 64.04 2qky n SER 657 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2qky s ARG 658 N -2.37 0.19 0.14 4.33 3.52 -1.26 -0.46 118.95 123.04 2qky s ARG 658 Ca -0.25 0.39 0.11 0.00 -0.13 0.00 0.00 55.73 55.85 2qky s ARG 658 Cb 0.07 -0.04 0.58 0.00 -1.56 0.00 0.00 34.95 34.00 2qky s ARG 658 CO 0.42 -0.11 1.35 0.91 -0.81 0.00 0.00 175.30 177.06 2qky n TRP 659 N 3.70 0.34 1.05 5.12 7.02 -1.26 -2.04 117.44 131.37 2qky n TRP 659 Ca -0.20 0.17 0.14 0.00 -1.02 0.00 0.00 57.50 56.59 2qky n TRP 659 Cb 0.55 -0.78 0.55 0.00 -2.42 0.00 0.00 31.31 29.21 2qky n TRP 659 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2qky n GLU 660 N -1.85 0.07 0.03 -0.99 1.02 -1.26 -3.01 120.64 114.66 2qky n GLU 660 Ca -0.00 -0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.24 2qky n GLU 660 Cb 0.04 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.09 2qky n GLU 660 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2qky n TYR 661 N -1.45 0.33 -2.24 -0.32 4.01 -0.87 -3.93 117.16 112.69 2qky n TYR 661 Ca 0.08 0.10 -0.26 0.00 -0.16 0.00 0.00 57.90 57.65 2qky n TYR 661 Cb 0.33 -0.48 0.06 0.00 -0.31 0.00 0.00 39.34 38.93 2qky n TYR 661 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2qky s TYR 662 N -3.14 3.04 0.71 -0.72 5.04 -1.16 -4.85 117.35 116.26 2qky s TYR 662 Ca 0.06 0.54 -0.13 0.00 -2.44 0.00 0.00 57.07 55.11 2qky s TYR 662 Cb 0.15 -3.05 0.02 0.00 0.35 0.00 0.00 41.96 39.43 2qky s TYR 662 CO 0.75 -1.22 1.10 0.16 -1.34 0.00 0.00 175.55 174.99 2qky s ASP 663 N -4.44 4.88 0.00 4.32 1.47 -1.26 -0.25 116.67 121.38 2qky s ASP 663 Ca 0.58 1.91 0.00 0.00 1.18 0.00 0.00 52.55 56.22 2qky s ASP 663 Cb -0.11 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 39.94 2qky s ASP 663 CO 0.45 -1.79 0.80 -1.54 0.68 0.00 0.00 175.17 173.78 2qky n SER 664 N -2.91 0.00 -0.21 2.11 3.41 0.31 -1.92 113.62 114.41 2qky n SER 664 Ca 0.10 0.80 -0.11 0.00 -0.26 0.00 0.00 58.87 59.39 2qky n SER 664 Cb 0.52 -0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 64.10 2qky n SER 664 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2qky h VAL 665 N 0.00 0.03 0.22 -3.33 2.07 -1.95 -1.48 116.25 111.82 2qky h VAL 665 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2qky h VAL 665 Cb 0.00 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 2qky h VAL 665 CO 0.00 0.00 -0.20 0.22 0.02 0.00 0.00 177.57 177.61 2qky h TYR 666 N -0.27 -0.55 0.00 1.57 5.03 -1.89 -3.16 116.97 117.70 2qky h TYR 666 Ca 0.13 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.44 2qky h TYR 666 Cb 0.56 0.21 0.00 0.00 1.55 0.00 0.00 36.73 39.05 2qky h TYR 666 CO -0.77 -0.27 0.00 2.41 -1.32 0.00 0.00 178.16 178.21 2qky n THR 667 N -3.53 0.00 0.24 1.81 -1.04 -0.81 -2.21 114.28 108.74 2qky n THR 667 Ca -0.05 1.33 0.04 0.00 -2.04 0.00 0.00 64.05 63.34 2qky n THR 667 Cb 0.19 -1.98 0.22 0.00 -1.82 0.00 0.00 70.33 66.93 2qky n THR 667 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2qky h GLU 668 N 0.00 0.00 -0.25 -2.82 5.08 -1.41 0.93 114.58 116.10 2qky h GLU 668 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2qky h GLU 668 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2qky h GLU 668 CO 0.00 0.00 -0.20 -0.09 -1.00 0.00 0.00 179.01 177.72 2qky h ARG 669 N 0.00 0.58 0.00 2.33 2.43 -1.40 0.37 114.38 118.70 2qky h ARG 669 Ca 0.00 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2qky h ARG 669 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 2qky h ARG 669 CO 0.00 0.87 -0.96 0.66 -1.51 0.00 0.00 179.97 179.03 2qky n TYR 670 N -4.39 0.11 0.00 2.20 4.01 0.22 -4.51 117.16 114.80 2qky n TYR 670 Ca -0.04 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2qky n TYR 670 Cb 0.41 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 2qky n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2qky n MET 671 N -1.73 2.11 -0.14 -0.72 2.81 -0.62 -0.20 117.12 118.63 2qky n MET 671 Ca 0.03 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.94 2qky n MET 671 Cb 0.39 -0.82 -0.00 0.00 -0.71 0.00 0.00 33.22 32.08 2qky n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qky n GLY 672 N 1.88 -1.68 3.74 3.03 0.00 0.13 -4.66 105.19 107.63 2qky n GLY 672 Ca 0.00 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 2qky n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qky s LEU 673 N 0.00 4.46 0.00 0.99 1.43 -1.26 -4.38 118.68 119.92 2qky s LEU 673 Ca 0.00 1.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 2qky s LEU 673 Cb 0.00 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.87 2qky s LEU 673 CO 0.00 -0.03 0.41 -0.81 0.23 0.00 0.00 176.35 176.15 2qky n PRO 674 N 2.89 0.32 -3.94 1.29 -0.04 -1.26 -1.39 135.00 132.87 2qky n PRO 674 Ca -0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.24 2qky n PRO 674 Cb 0.50 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.58 2qky n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2qky s THR 675 N 0.86 3.92 0.45 0.52 -4.23 -1.26 -4.27 115.64 111.62 2qky s THR 675 Ca 0.00 -1.39 0.21 0.00 -1.18 0.00 0.00 61.69 59.33 2qky s THR 675 Cb 0.00 -3.27 0.24 0.00 1.34 0.00 0.00 72.50 70.81 2qky s THR 675 CO 0.00 -0.25 2.05 1.55 -0.54 0.00 0.00 174.62 177.43 2qky h PRO 676 N 1.35 0.00 -0.18 3.99 0.13 -1.95 -0.12 132.00 135.22 2qky h PRO 676 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2qky h PRO 676 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2qky h PRO 676 CO 0.59 0.14 0.00 0.39 -0.23 0.00 0.00 178.00 178.90 2qky n GLU 677 N -3.99 1.21 0.00 0.86 4.71 -1.26 -4.75 120.64 117.41 2qky n GLU 677 Ca -0.02 -0.29 0.00 0.00 -0.01 0.00 0.00 57.16 56.84 2qky n GLU 677 Cb 0.23 -1.12 0.00 0.00 -1.01 0.00 0.00 31.44 29.54 2qky n GLU 677 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2qky n ASP 678 N -0.23 0.00 -0.29 1.62 -0.08 -0.43 -5.05 116.55 112.08 2qky n ASP 678 Ca 0.03 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.39 2qky n ASP 678 Cb 0.10 0.00 0.14 0.00 2.34 0.00 0.00 41.12 43.70 2qky n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2qky n ASN 679 N 0.00 1.95 -0.35 1.67 5.15 -0.49 -4.79 115.26 118.41 2qky n ASN 679 Ca 0.00 -3.19 0.07 0.00 -0.60 0.00 0.00 54.58 50.85 2qky n ASN 679 Cb 0.00 -0.44 0.25 0.00 -0.53 0.00 0.00 39.78 39.06 2qky n ASN 679 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2qky h LEU 680 N 0.30 0.92 -1.61 1.20 5.85 -1.19 -1.91 115.31 118.87 2qky h LEU 680 Ca -0.01 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 2qky h LEU 680 Cb 1.06 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2qky h LEU 680 CO 0.00 0.51 -0.16 0.44 -0.34 0.00 0.00 178.44 178.89 2qky h ASP 681 N 0.99 0.04 0.79 1.25 3.32 -1.87 -2.90 116.42 118.04 2qky h ASP 681 Ca 0.47 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 57.27 2qky h ASP 681 Cb 0.44 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2qky h ASP 681 CO -0.24 0.21 -1.21 -0.74 -1.72 0.00 0.00 179.24 175.54 2qky h HIS 682 N 0.05 0.16 0.48 4.55 2.76 -1.73 -2.86 115.15 118.55 2qky h HIS 682 Ca 0.01 -0.12 -0.02 0.00 -2.20 0.00 0.00 60.37 58.05 2qky h HIS 682 Cb 0.31 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 2qky h HIS 682 CO 0.00 1.11 -0.44 1.88 -1.30 0.00 0.00 177.93 179.18 2qky h TYR 683 N 0.02 -1.20 0.00 5.26 0.05 -1.34 -0.20 116.97 119.56 2qky h TYR 683 Ca -0.10 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.68 2qky h TYR 683 Cb 1.88 0.46 0.00 0.00 1.01 0.00 0.00 36.73 40.08 2qky h TYR 683 CO 0.02 -0.59 0.08 0.00 -1.05 0.00 0.00 178.16 176.62 2qky h ARG 684 N -0.90 0.00 0.00 4.88 2.47 -1.63 -0.21 114.38 118.99 2qky h ARG 684 Ca -0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2qky h ARG 684 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 2qky h ARG 684 CO -0.03 0.00 -0.80 -0.91 0.56 0.00 0.00 179.97 178.79 2qky h ASN 685 N 0.00 0.00 -0.61 7.04 2.35 -0.83 -3.38 115.58 120.14 2qky h ASN 685 Ca 0.00 -0.12 -0.39 0.00 -0.55 0.00 0.00 56.30 55.24 2qky h ASN 685 Cb 0.16 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 38.29 2qky h ASN 685 CO 0.00 0.06 -0.05 -1.54 -1.65 0.00 0.00 177.43 174.25 2qky n SER 686 N -2.41 4.13 -4.86 5.81 3.41 -0.09 -5.02 113.62 114.60 2qky n SER 686 Ca 0.02 -3.78 -0.34 0.00 -0.26 0.00 0.00 58.87 54.51 2qky n SER 686 Cb 0.49 -0.64 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 2qky n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2qky s THR 687 N -3.90 4.92 0.26 6.66 -4.23 -1.25 -4.74 115.64 113.36 2qky s THR 687 Ca 0.51 0.66 0.03 0.00 -1.18 0.00 0.00 61.69 61.71 2qky s THR 687 Cb 0.43 -3.69 0.02 0.00 1.34 0.00 0.00 72.50 70.60 2qky s THR 687 CO 0.01 0.17 1.65 0.58 -0.54 0.00 0.00 174.62 176.50 2qky h VAL 688 N 2.61 1.30 0.04 2.29 2.07 -1.11 -3.25 116.25 120.21 2qky h VAL 688 Ca -0.48 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 65.52 2qky h VAL 688 Cb 1.19 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 2qky h VAL 688 CO 0.67 0.47 -0.34 0.24 0.02 0.00 0.00 177.57 178.63 2qky h MET 689 N 0.33 -0.43 -0.53 1.57 2.07 -1.92 -1.85 114.93 114.16 2qky h MET 689 Ca 0.03 0.03 0.15 0.00 -2.07 0.00 0.00 59.70 57.85 2qky h MET 689 Cb 0.85 0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 30.66 2qky h MET 689 CO 0.07 -0.29 0.90 0.66 1.07 0.00 0.00 176.91 179.32 2qky h SER 690 N -0.45 0.00 -0.60 1.22 4.64 -1.94 0.69 113.55 117.11 2qky h SER 690 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qky h SER 690 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2qky h SER 690 CO -0.20 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.30 2qky n ARG 691 N -3.12 4.45 -0.01 4.77 1.74 -0.70 -4.67 116.66 119.13 2qky n ARG 691 Ca 0.11 -3.02 -0.07 0.00 -0.77 0.00 0.00 57.85 54.10 2qky n ARG 691 Cb 1.07 -2.13 -0.05 0.00 -1.02 0.00 0.00 32.46 30.33 2qky n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qky h ALA 692 N 4.05 -0.64 -1.28 7.54 0.00 0.39 -2.40 119.26 126.93 2qky h ALA 692 Ca 0.00 -0.03 0.37 0.00 0.00 0.00 0.00 54.91 55.25 2qky h ALA 692 Cb 1.78 0.80 -0.05 0.00 0.00 0.00 0.00 17.79 20.32 2qky h ALA 692 CO 0.40 -0.74 1.09 1.49 0.00 0.00 0.00 179.25 181.49 2qky h GLU 693 N -0.27 0.00 -0.30 0.00 4.81 -1.83 0.47 114.58 117.46 2qky h GLU 693 Ca 0.02 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 2qky h GLU 693 Cb 0.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2qky h GLU 693 CO -0.22 0.00 -0.27 -0.91 -0.73 0.00 0.00 179.01 176.88 2qky h ASN 694 N 0.00 0.60 0.00 1.04 2.35 -1.73 -3.03 115.58 114.81 2qky h ASN 694 Ca 0.61 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 2qky h ASN 694 Cb 2.79 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 40.99 2qky h ASN 694 CO -0.01 0.85 0.58 -0.26 -1.65 0.00 0.00 177.43 176.94 2qky h PHE 695 N 0.51 0.00 -0.05 1.19 0.04 -1.00 -0.87 116.94 116.77 2qky h PHE 695 Ca 0.07 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.85 2qky h PHE 695 Cb 0.73 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.88 2qky h PHE 695 CO 0.03 0.00 0.13 0.87 -0.60 0.00 0.00 178.31 178.73 2qky h LYS 696 N 0.00 0.00 -0.17 1.51 1.57 -1.74 -0.22 116.57 117.53 2qky h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qky h LYS 696 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2qky h LYS 696 CO 0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 2qky n GLN 697 N -3.31 1.88 -4.19 3.15 1.13 -0.33 -4.95 117.38 110.77 2qky n GLN 697 Ca -0.02 -1.32 -0.11 0.00 -1.94 0.00 0.00 57.00 53.61 2qky n GLN 697 Cb 0.21 -1.43 -0.10 0.00 0.11 0.00 0.00 30.24 29.02 2qky n GLN 697 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2qky s VAL 698 N -1.79 0.56 -0.53 5.09 -7.23 -0.09 -4.87 120.40 111.54 2qky s VAL 698 Ca 0.34 -1.94 -0.17 0.00 -1.81 0.00 0.00 61.98 58.41 2qky s VAL 698 Cb 0.19 -1.88 0.11 0.00 0.56 0.00 0.00 36.38 35.36 2qky s VAL 698 CO 0.28 -0.68 0.52 -1.61 -0.31 0.00 0.00 175.10 173.31 2qky s GLU 699 N -3.90 3.01 -0.11 4.82 2.02 -0.31 -4.97 118.70 119.24 2qky s GLU 699 Ca 0.18 -1.51 -0.05 0.00 0.02 0.00 0.00 54.97 53.61 2qky s GLU 699 Cb 0.06 -4.24 -0.04 0.00 0.10 0.00 0.00 34.13 30.01 2qky s GLU 699 CO -0.01 -1.30 0.09 -0.47 0.02 0.00 0.00 175.26 173.59 2qky s TYR 700 N 1.88 3.42 -0.28 1.61 5.04 -1.26 -0.92 117.35 126.83 2qky s TYR 700 Ca 0.06 0.38 -0.00 0.00 -2.44 0.00 0.00 57.07 55.07 2qky s TYR 700 Cb -0.27 -1.90 0.09 0.00 0.35 0.00 0.00 41.96 40.23 2qky s TYR 700 CO 0.05 0.61 0.05 -1.17 -1.34 0.00 0.00 175.55 173.75 2qky s LEU 701 N -0.88 2.55 -0.19 6.97 2.96 -0.67 -0.81 118.68 128.60 2qky s LEU 701 Ca 0.14 -1.52 -0.18 0.00 -0.22 0.00 0.00 54.13 52.35 2qky s LEU 701 Cb -0.12 -1.01 -0.03 0.00 0.50 0.00 0.00 46.19 45.53 2qky s LEU 701 CO 0.03 -0.36 0.50 -0.22 -1.32 0.00 0.00 176.35 174.98 2qky s LEU 702 N 1.50 4.16 0.02 -0.68 2.96 -0.35 -1.33 118.68 124.95 2qky s LEU 702 Ca 0.05 0.67 0.06 0.00 -0.22 0.00 0.00 54.13 54.70 2qky s LEU 702 Cb -0.18 -2.68 -0.02 0.00 0.50 0.00 0.00 46.19 43.81 2qky s LEU 702 CO -0.17 -0.15 -0.19 -0.63 -1.32 0.00 0.00 176.35 173.89 2qky s ILE 703 N 1.50 1.55 -0.29 6.68 1.01 -0.26 -2.23 121.20 129.15 2qky s ILE 703 Ca 0.24 -1.00 -0.15 0.00 0.00 0.00 0.00 60.65 59.73 2qky s ILE 703 Cb -0.15 -1.32 0.14 0.00 0.01 0.00 0.00 42.46 41.14 2qky s ILE 703 CO 0.09 0.29 0.91 -2.28 0.00 0.00 0.00 174.94 173.96 2qky s HIS 704 N -0.64 -0.73 0.07 3.97 2.46 -1.20 -0.50 115.29 118.72 2qky s HIS 704 Ca 0.07 1.39 -0.31 0.00 0.47 0.00 0.00 55.06 56.68 2qky s HIS 704 Cb -0.08 0.44 -0.06 0.00 -0.13 0.00 0.00 32.58 32.74 2qky s HIS 704 CO 0.01 -0.36 1.29 0.20 -2.47 0.00 0.00 174.74 173.40 2qky s GLY 705 N 1.76 2.18 0.55 1.59 0.00 -1.26 -3.22 107.32 108.92 2qky s GLY 705 Ca -0.07 0.94 0.27 0.00 0.00 0.00 0.00 44.72 45.85 2qky s GLY 705 CO -0.17 2.20 2.15 -0.91 0.00 0.00 0.00 173.10 176.38 2qky h THR 706 N 4.48 0.61 -0.70 0.90 1.35 -1.52 -1.64 112.91 116.40 2qky h THR 706 Ca -0.41 -0.29 -0.17 0.00 -0.55 0.00 0.00 66.41 64.99 2qky h THR 706 Cb 1.21 1.18 -0.10 0.00 -1.73 0.00 0.00 68.15 68.71 2qky h THR 706 CO 0.84 0.07 0.20 0.00 -0.25 0.00 0.00 175.52 176.39 2qky n ALA 707 N -2.33 4.41 -2.00 6.62 0.00 0.05 -4.71 120.51 122.56 2qky n ALA 707 Ca -0.02 -2.27 -0.43 0.00 0.00 0.00 0.00 53.44 50.72 2qky n ALA 707 Cb 0.17 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 2qky n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qky s ASP 708 N -1.01 6.26 0.01 0.00 -1.08 -0.62 -4.52 116.67 115.71 2qky s ASP 708 Ca 0.55 1.77 0.23 0.00 -0.52 0.00 0.00 52.55 54.58 2qky s ASP 708 Cb 0.44 -2.53 0.19 0.00 -1.46 0.00 0.00 42.92 39.56 2qky s ASP 708 CO 0.14 -1.33 1.18 -0.90 0.52 0.00 0.00 175.17 174.78 2qky n ASP 709 N 8.79 0.68 0.00 -0.34 5.75 -1.26 -3.83 116.55 126.33 2qky n ASP 709 Ca 0.20 -0.47 0.00 0.00 -0.01 0.00 0.00 54.79 54.51 2qky n ASP 709 Cb 0.45 0.58 0.00 0.00 -1.03 0.00 0.00 41.12 41.12 2qky n ASP 709 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2qky n ASN 710 N -1.59 0.00 -3.90 -1.12 2.85 -1.26 -4.62 115.26 105.62 2qky n ASN 710 Ca 0.04 0.13 -0.42 0.00 -0.11 0.00 0.00 54.58 54.23 2qky n ASN 710 Cb 0.35 -0.25 0.01 0.00 1.24 0.00 0.00 39.78 41.13 2qky n ASN 710 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2qky n VAL 711 N -1.61 5.37 -0.19 3.44 0.31 -1.26 -4.79 118.33 119.59 2qky n VAL 711 Ca 0.00 -5.93 -0.07 0.00 -0.01 0.00 0.00 64.34 58.34 2qky n VAL 711 Cb 0.00 -1.97 -0.01 0.00 -0.91 0.00 0.00 33.84 30.96 2qky n VAL 711 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2qky n HIS 712 N 1.01 -0.04 -0.41 3.52 8.25 -1.25 -4.64 115.22 121.67 2qky n HIS 712 Ca 0.30 0.14 0.34 0.00 -0.26 0.00 0.00 57.72 58.24 2qky n HIS 712 Cb 0.32 -0.27 0.65 0.00 1.12 0.00 0.00 29.99 31.81 2qky n HIS 712 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 2qky h PHE 713 N 0.19 0.39 -0.99 4.41 3.57 -1.78 0.16 116.94 122.88 2qky h PHE 713 Ca -0.04 0.02 0.37 0.00 3.53 0.00 0.00 57.97 61.85 2qky h PHE 713 Cb 0.20 -0.10 -0.17 0.00 2.79 0.00 0.00 35.95 38.66 2qky h PHE 713 CO 0.06 -0.05 0.45 0.37 -2.23 0.00 0.00 178.31 176.91 2qky h GLN 714 N 0.15 0.05 0.00 1.11 4.15 -1.94 0.13 115.11 118.76 2qky h GLN 714 Ca 0.70 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.12 2qky h GLN 714 Cb 2.29 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.97 2qky h GLN 714 CO -0.24 0.04 0.00 1.04 -1.93 0.00 0.00 178.83 177.74 2qky n GLN 715 N -5.27 0.00 0.04 1.69 1.13 0.56 -0.50 117.38 115.04 2qky n GLN 715 Ca 0.34 0.35 0.02 0.00 -1.94 0.00 0.00 57.00 55.77 2qky n GLN 715 Cb 1.14 -1.25 0.12 0.00 0.11 0.00 0.00 30.24 30.36 2qky n GLN 715 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2qky n SER 716 N -1.39 0.11 -0.01 1.08 7.64 -0.72 -0.33 113.62 120.00 2qky n SER 716 Ca 0.00 0.48 -0.17 0.00 1.01 0.00 0.00 58.87 60.20 2qky n SER 716 Cb 0.00 -0.49 -0.12 0.00 -1.01 0.00 0.00 64.21 62.59 2qky n SER 716 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qky h ALA 717 N 1.69 0.04 0.00 -0.43 0.00 -0.01 -2.76 119.26 117.80 2qky h ALA 717 Ca 0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 2qky h ALA 717 Cb 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2qky h ALA 717 CO 0.00 0.25 -0.46 1.96 0.00 0.00 0.00 179.25 180.99 2qky h GLN 718 N -0.30 0.00 0.37 0.00 1.08 0.20 -2.86 115.11 113.61 2qky h GLN 718 Ca -0.06 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 2qky h GLN 718 Cb 1.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 2qky h GLN 718 CO 0.09 0.46 -0.18 0.82 -0.95 0.00 0.00 178.83 179.08 2qky h ILE 719 N 0.00 0.60 -0.49 2.54 2.04 -1.31 -2.76 117.51 118.14 2qky h ILE 719 Ca -0.00 -0.46 0.10 0.00 1.00 0.00 0.00 64.86 65.49 2qky h ILE 719 Cb 0.86 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2qky h ILE 719 CO 0.06 0.08 0.34 0.77 0.00 0.00 0.00 178.15 179.40 2qky h SER 720 N -0.78 0.22 -0.37 1.72 4.64 -1.49 -1.74 113.55 115.75 2qky h SER 720 Ca -0.05 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 2qky h SER 720 Cb 0.52 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2qky h SER 720 CO 0.08 0.13 0.03 0.50 -0.87 0.00 0.00 176.83 176.70 2qky h LYS 721 N 0.24 0.63 -0.18 4.77 3.64 -1.37 -1.39 116.57 122.91 2qky h LYS 721 Ca 0.23 -0.19 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 2qky h LYS 721 Cb 0.58 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2qky h LYS 721 CO -0.04 0.72 -0.43 0.00 -2.27 0.00 0.00 179.45 177.43 2qky h ALA 722 N 0.89 0.93 0.00 5.00 0.00 -1.05 -0.43 119.26 124.60 2qky h ALA 722 Ca 0.11 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2qky h ALA 722 Cb 0.42 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2qky h ALA 722 CO 0.01 0.63 -0.16 -0.07 0.00 0.00 0.00 179.25 179.67 2qky h LEU 723 N 0.34 0.00 0.22 0.00 3.38 -1.17 -1.98 115.31 116.11 2qky h LEU 723 Ca 0.03 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.67 2qky h LEU 723 Cb 0.90 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.68 2qky h LEU 723 CO 0.08 0.16 -1.48 0.58 0.09 0.00 0.00 178.44 177.86 2qky h VAL 724 N 0.00 1.27 0.00 1.22 2.07 -0.58 -0.95 116.25 119.27 2qky h VAL 724 Ca -0.00 -2.74 0.00 0.00 0.82 0.00 0.00 66.70 64.78 2qky h VAL 724 Cb 0.42 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 2qky h VAL 724 CO 0.02 0.83 0.00 0.47 0.02 0.00 0.00 177.57 178.91 2qky n ASP 725 N -3.66 0.23 -0.14 0.57 8.00 -0.23 -2.63 116.55 118.69 2qky n ASP 725 Ca -0.17 0.55 0.02 0.00 0.71 0.00 0.00 54.79 55.90 2qky n ASP 725 Cb 1.09 -0.60 0.01 0.00 -0.02 0.00 0.00 41.12 41.60 2qky n ASP 725 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2qky n VAL 726 N -1.75 0.00 -2.71 2.53 0.24 -0.82 -5.03 118.33 110.80 2qky n VAL 726 Ca 0.03 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.34 61.76 2qky n VAL 726 Cb 0.21 1.07 0.03 0.00 -1.47 0.00 0.00 33.84 33.68 2qky n VAL 726 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qky n GLY 727 N 0.20 0.29 3.12 7.63 0.00 -1.08 -4.93 105.19 110.43 2qky n GLY 727 Ca 0.02 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 2qky n GLY 727 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qky s VAL 728 N -3.12 2.18 0.46 1.61 0.11 -0.38 -5.03 120.40 116.23 2qky s VAL 728 Ca 0.11 -1.04 -0.23 0.00 -2.93 0.00 0.00 61.98 57.88 2qky s VAL 728 Cb -0.05 -2.00 -0.07 0.00 -1.53 0.00 0.00 36.38 32.73 2qky s VAL 728 CO 0.26 0.42 1.21 -0.62 -3.33 0.00 0.00 175.10 173.04 2qky s ASP 729 N 1.27 6.09 0.08 3.54 2.15 -1.26 -4.62 116.67 123.91 2qky s ASP 729 Ca 0.02 2.41 -0.26 0.00 0.43 0.00 0.00 52.55 55.16 2qky s ASP 729 Cb -0.14 -2.61 0.08 0.00 -0.30 0.00 0.00 42.92 39.95 2qky s ASP 729 CO -0.11 -0.98 0.73 0.72 -0.17 0.00 0.00 175.17 175.36 2qky s PHE 730 N -1.46 -0.47 0.12 -5.34 -0.12 -1.26 -4.72 117.98 104.73 2qky s PHE 730 Ca 0.63 0.34 -0.09 0.00 -0.05 0.00 0.00 56.93 57.76 2qky s PHE 730 Cb -0.32 0.54 -0.06 0.00 -0.63 0.00 0.00 43.02 42.55 2qky s PHE 730 CO 0.39 -0.70 0.43 -0.65 -0.05 0.00 0.00 175.22 174.63 2qky s GLN 731 N -3.28 3.77 0.25 1.99 -1.52 0.01 -5.01 119.66 115.86 2qky s GLN 731 Ca 0.02 0.18 0.01 0.00 -1.95 0.00 0.00 55.36 53.62 2qky s GLN 731 Cb -0.01 -2.92 -0.04 0.00 -0.22 0.00 0.00 33.01 29.82 2qky s GLN 731 CO -0.10 0.50 0.12 0.00 -0.25 0.00 0.00 175.29 175.57 2qky s ALA 732 N -1.50 1.57 -0.31 6.09 0.00 -1.26 -1.21 121.76 125.14 2qky s ALA 732 Ca 0.37 -1.80 -0.08 0.00 0.00 0.00 0.00 51.96 50.45 2qky s ALA 732 Cb -0.13 1.20 0.19 0.00 0.00 0.00 0.00 23.12 24.37 2qky s ALA 732 CO 0.20 -0.52 0.98 1.41 0.00 0.00 0.00 175.76 177.83 2qky s MET 733 N -4.03 0.23 0.57 0.00 0.00 -0.95 -4.92 119.30 110.20 2qky s MET 733 Ca 0.38 0.09 -0.11 0.00 0.00 0.00 0.00 55.69 56.05 2qky s MET 733 Cb 0.07 0.07 -0.05 0.00 0.00 0.00 0.00 34.83 34.92 2qky s MET 733 CO 0.14 -0.39 0.97 1.67 0.00 0.00 0.00 175.02 177.41 2qky s TRP 734 N 2.59 3.57 -0.29 4.11 -2.14 -1.26 -3.25 118.94 122.27 2qky s TRP 734 Ca 0.22 1.25 0.00 0.00 2.66 0.00 0.00 56.10 60.24 2qky s TRP 734 Cb -0.01 -2.67 0.09 0.00 -3.10 0.00 0.00 33.47 27.78 2qky s TRP 734 CO -0.20 -0.53 0.04 0.71 -2.66 0.00 0.00 176.95 174.31 2qky s TYR 735 N -2.95 2.28 0.18 1.66 1.51 -1.20 -4.94 117.35 113.89 2qky s TYR 735 Ca 0.55 -1.94 -0.33 0.00 -1.01 0.00 0.00 57.07 54.34 2qky s TYR 735 Cb -0.11 -1.88 -0.15 0.00 -0.11 0.00 0.00 41.96 39.71 2qky s TYR 735 CO 0.46 -0.84 1.21 2.41 -1.11 0.00 0.00 175.55 177.68 2qky n THR 736 N 4.69 0.84 -0.43 -0.71 -1.04 -1.26 -2.43 114.28 113.94 2qky n THR 736 Ca -0.04 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 2qky n THR 736 Cb 0.43 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 2qky n THR 736 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2qky n ASP 737 N 2.08 -0.69 -4.84 8.00 9.92 -1.26 -4.87 116.55 124.88 2qky n ASP 737 Ca 0.15 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 54.11 2qky n ASP 737 Cb 0.25 -2.01 0.06 0.00 -0.64 0.00 0.00 41.12 38.79 2qky n ASP 737 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2qky s GLU 738 N -0.86 2.56 0.00 -1.24 0.41 -1.02 -4.54 118.70 114.01 2qky s GLU 738 Ca 0.00 0.59 0.00 0.00 -0.41 0.00 0.00 54.97 55.15 2qky s GLU 738 Cb 0.00 -1.98 0.00 0.00 -1.78 0.00 0.00 34.13 30.37 2qky s GLU 738 CO 0.00 -1.27 0.00 -0.40 -0.49 0.00 0.00 175.26 173.10 2qky n ASP 739 N -3.19 1.59 0.33 -0.19 5.75 -1.26 -0.77 116.55 118.81 2qky n ASP 739 Ca 0.07 0.00 0.21 0.00 -0.01 0.00 0.00 54.79 55.06 2qky n ASP 739 Cb 0.56 0.00 1.12 0.00 -1.03 0.00 0.00 41.12 41.78 2qky n ASP 739 CO 0.00 0.00 0.00 -0.74 -0.11 0.00 0.00 177.20 176.35 2qky h HIS 740 N 0.00 0.00 0.12 2.11 -0.00 -1.88 -2.52 115.15 112.98 2qky h HIS 740 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.05 2qky h HIS 740 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 2qky h HIS 740 CO 0.00 0.00 -1.67 0.78 -0.00 0.00 0.00 177.93 177.04 2qky h GLY 741 N 0.00 0.28 -6.43 5.26 0.00 -1.98 -3.48 103.07 96.73 2qky h GLY 741 Ca 0.00 -0.71 -0.49 0.00 0.00 0.00 0.00 47.33 46.12 2qky h GLY 741 CO -0.00 0.63 -0.80 1.39 0.00 0.00 0.00 176.54 177.75 2qky n ILE 742 N -3.43 -2.13 0.01 2.60 5.41 -0.95 -4.86 119.36 116.01 2qky n ILE 742 Ca -0.21 -0.12 0.01 0.00 1.00 0.00 0.00 62.75 63.44 2qky n ILE 742 Cb 1.05 -2.60 -0.10 0.00 -0.71 0.00 0.00 39.64 37.28 2qky n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qky n ALA 743 N -4.53 2.06 -1.49 -1.39 0.00 -1.26 -3.73 120.51 110.17 2qky n ALA 743 Ca -0.03 -0.63 -0.45 0.00 0.00 0.00 0.00 53.44 52.34 2qky n ALA 743 Cb 0.55 -0.82 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 2qky n ALA 743 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qky n SER 744 N -2.75 -0.11 -0.27 0.00 3.41 -1.26 -4.54 113.62 108.09 2qky n SER 744 Ca -0.11 1.09 -0.07 0.00 -0.26 0.00 0.00 58.87 59.51 2qky n SER 744 Cb 0.82 -1.13 -0.06 0.00 -0.26 0.00 0.00 64.21 63.57 2qky n SER 744 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2qky n SER 745 N 1.49 -0.68 -0.21 4.04 2.88 -1.26 -0.95 113.62 118.94 2qky n SER 745 Ca 0.13 1.42 -0.08 0.00 -1.33 0.00 0.00 58.87 59.01 2qky n SER 745 Cb 0.32 -0.29 0.02 0.00 -0.75 0.00 0.00 64.21 63.51 2qky n SER 745 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2qky h THR 746 N 0.00 1.24 -0.87 2.46 1.35 -1.98 -2.11 112.91 113.00 2qky h THR 746 Ca 0.10 -0.81 -0.03 0.00 -0.55 0.00 0.00 66.41 65.12 2qky h THR 746 Cb 0.26 0.67 -0.04 0.00 -1.73 0.00 0.00 68.15 67.32 2qky h THR 746 CO -0.60 0.31 0.44 0.00 -0.25 0.00 0.00 175.52 175.41 2qky h ALA 747 N 1.05 1.14 -0.61 6.62 0.00 -1.81 0.31 119.26 125.95 2qky h ALA 747 Ca 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2qky h ALA 747 Cb 0.28 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2qky h ALA 747 CO -0.01 0.67 0.32 1.25 0.00 0.00 0.00 179.25 181.48 2qky h HIS 748 N 1.23 0.85 -0.16 0.00 2.76 -0.88 0.32 115.15 119.28 2qky h HIS 748 Ca 0.30 -0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.31 2qky h HIS 748 Cb 0.08 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 2qky h HIS 748 CO 0.01 0.63 -0.48 1.96 -1.30 0.00 0.00 177.93 178.75 2qky h GLN 749 N 0.83 0.42 -0.06 5.26 4.20 -0.85 -3.05 115.11 121.86 2qky h GLN 749 Ca 0.21 -0.24 -0.12 0.00 0.06 0.00 0.00 58.65 58.57 2qky h GLN 749 Cb 0.07 0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.87 2qky h GLN 749 CO -0.03 0.81 -0.42 1.25 -0.67 0.00 0.00 178.83 179.77 2qky h HIS 750 N 0.33 0.53 -0.79 2.96 2.76 -0.57 -2.89 115.15 117.50 2qky h HIS 750 Ca 0.02 -0.25 -0.03 0.00 -2.20 0.00 0.00 60.37 57.91 2qky h HIS 750 Cb 0.97 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.82 2qky h HIS 750 CO 0.03 1.02 0.37 0.97 -1.30 0.00 0.00 177.93 179.02 2qky h ILE 751 N -0.10 1.25 -0.01 6.26 2.10 -1.00 0.15 117.51 126.16 2qky h ILE 751 Ca -0.04 -0.70 -0.17 0.00 1.08 0.00 0.00 64.86 65.04 2qky h ILE 751 Cb 1.09 0.24 -0.02 0.00 -1.09 0.00 0.00 36.82 37.04 2qky h ILE 751 CO 0.08 0.30 -0.78 1.88 -1.08 0.00 0.00 178.15 178.55 2qky h TYR 752 N 1.12 0.15 0.00 2.19 0.05 -1.63 -1.97 116.97 116.87 2qky h TYR 752 Ca 0.27 -0.08 -0.11 0.00 0.05 0.00 0.00 58.73 58.87 2qky h TYR 752 Cb 0.12 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 2qky h TYR 752 CO 0.01 0.84 -0.51 1.15 -1.05 0.00 0.00 178.16 178.61 2qky h THR 753 N 0.06 1.24 0.08 -2.88 2.02 -1.20 -1.95 112.91 110.27 2qky h THR 753 Ca -0.02 -1.82 -0.25 0.00 0.77 0.00 0.00 66.41 65.10 2qky h THR 753 Cb 1.37 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 2qky h THR 753 CO 0.11 0.50 -1.13 -0.74 0.37 0.00 0.00 175.52 174.63 2qky h HIS 754 N 0.00 0.33 0.00 3.16 -0.00 -0.51 -3.15 115.15 114.99 2qky h HIS 754 Ca -0.01 -0.24 -0.14 0.00 -0.00 0.00 0.00 60.37 59.99 2qky h HIS 754 Cb 0.97 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.35 2qky h HIS 754 CO 0.00 1.17 -0.67 0.52 -0.00 0.00 0.00 177.93 178.95 2qky h MET 755 N 0.06 0.00 -0.43 5.26 2.07 -1.30 -2.83 114.93 117.75 2qky h MET 755 Ca -0.09 0.00 -0.14 0.00 -2.07 0.00 0.00 59.70 57.40 2qky h MET 755 Cb 1.86 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.58 2qky h MET 755 CO 0.17 0.67 -0.27 0.77 1.07 0.00 0.00 176.91 179.32 2qky h SER 756 N 0.00 0.99 -0.57 1.22 0.02 -1.40 -0.44 113.55 113.37 2qky h SER 756 Ca -0.01 -0.42 -0.08 0.00 -0.84 0.00 0.00 61.79 60.45 2qky h SER 756 Cb 1.41 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 2qky h SER 756 CO 0.09 1.20 0.08 0.45 -1.14 0.00 0.00 176.83 177.50 2qky h HIS 757 N 0.79 1.05 -0.74 3.45 3.86 -1.56 0.30 115.15 122.30 2qky h HIS 757 Ca 0.09 -0.14 -0.05 0.00 -1.16 0.00 0.00 60.37 59.11 2qky h HIS 757 Cb 0.85 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 29.00 2qky h HIS 757 CO 0.06 0.90 0.27 0.35 0.86 0.00 0.00 177.93 180.37 2qky h PHE 758 N 0.93 1.13 0.14 2.45 3.57 -1.22 0.12 116.94 124.06 2qky h PHE 758 Ca 0.18 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2qky h PHE 758 Cb 0.43 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2qky h PHE 758 CO 0.03 0.87 -0.07 0.82 -2.23 0.00 0.00 178.31 177.73 2qky h ILE 759 N 1.08 0.88 -0.96 1.41 1.08 -0.64 -1.74 117.51 118.62 2qky h ILE 759 Ca 0.24 -1.22 0.17 0.00 -0.39 0.00 0.00 64.86 63.67 2qky h ILE 759 Cb 0.24 1.51 -0.10 0.00 -3.07 0.00 0.00 36.82 35.40 2qky h ILE 759 CO -0.02 0.24 0.57 0.11 -0.69 0.00 0.00 178.15 178.36 2qky h LYS 760 N -0.87 0.74 0.44 2.37 1.57 -0.36 -0.36 116.57 120.10 2qky h LYS 760 Ca -0.02 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2qky h LYS 760 Cb 0.53 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2qky h LYS 760 CO 0.03 0.49 -0.21 0.37 -0.57 0.00 0.00 179.45 179.56 2qky h GLN 761 N 0.76 -0.57 -1.02 3.15 -0.00 -0.80 0.33 115.11 116.95 2qky h GLN 761 Ca 0.54 0.04 0.30 0.00 -0.00 0.00 0.00 58.65 59.52 2qky h GLN 761 Cb 0.77 0.13 -0.04 0.00 0.00 0.00 0.00 27.48 28.34 2qky h GLN 761 CO -0.36 -0.38 0.97 0.00 0.00 0.00 0.00 178.83 179.05 2qky n PHE 763 N -3.64 0.40 -1.87 0.00 3.72 -0.20 -4.95 117.46 110.91 2qky n PHE 763 Ca 0.22 -0.27 -0.21 0.00 -0.05 0.00 0.00 57.45 57.15 2qky n PHE 763 Cb 1.29 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 39.77 2qky n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2qky n SER 764 N 1.05 -5.57 -4.70 4.37 7.64 0.96 -4.93 113.62 112.44 2qky n SER 764 Ca 0.15 0.33 -0.42 0.00 1.01 0.00 0.00 58.87 59.93 2qky n SER 764 Cb 0.49 -4.83 -0.03 0.00 -1.01 0.00 0.00 64.21 58.84 2qky n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qky s LEU 765 N -5.17 4.30 0.00 -3.43 1.43 0.11 -5.02 118.68 110.89 2qky s LEU 765 Ca 0.00 1.60 0.10 0.00 -1.03 0.00 0.00 54.13 54.80 2qky s LEU 765 Cb 0.00 -3.56 0.59 0.00 0.03 0.00 0.00 46.19 43.25 2qky s LEU 765 CO 0.00 -0.37 1.04 -2.65 0.23 0.00 0.00 176.35 174.60