#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 2.18 0.80 -0.78 0.52 -1.26 -5.05 118.95 115.37 2qky s ARG 40 Ca 0.00 1.00 -0.11 0.00 -0.52 0.00 0.00 55.73 56.10 2qky s ARG 40 Cb 0.00 -1.90 0.07 0.00 0.52 0.00 0.00 34.95 33.64 2qky s ARG 40 CO 0.00 -1.65 1.09 0.15 0.02 0.00 0.00 175.30 174.92 2qky s LYS 41 N -4.97 2.00 0.49 3.54 1.02 -1.16 -4.59 119.74 116.08 2qky s LYS 41 Ca 0.61 1.07 0.07 0.00 0.02 0.00 0.00 55.97 57.74 2qky s LYS 41 Cb -0.16 -1.88 0.02 0.00 -0.52 0.00 0.00 37.83 35.29 2qky s LYS 41 CO 0.56 -1.79 0.48 0.95 -0.92 0.00 0.00 175.35 174.63 2qky s THR 42 N -2.92 2.22 -0.41 2.17 -4.23 -1.26 -0.36 115.64 110.84 2qky s THR 42 Ca 0.62 -1.31 -0.25 0.00 -1.18 0.00 0.00 61.69 59.57 2qky s THR 42 Cb -0.17 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.16 2qky s THR 42 CO 0.56 0.00 0.91 -0.47 -0.54 0.00 0.00 174.62 175.08 2qky s TYR 43 N -2.61 3.00 0.67 3.99 5.04 -1.26 -4.80 117.35 121.39 2qky s TYR 43 Ca 0.46 0.55 -0.00 0.00 -2.44 0.00 0.00 57.07 55.64 2qky s TYR 43 Cb -0.04 -3.78 0.10 0.00 0.35 0.00 0.00 41.96 38.60 2qky s TYR 43 CO 0.28 -0.95 0.93 0.95 -1.34 0.00 0.00 175.55 175.42 2qky s THR 44 N 3.56 2.28 0.12 4.34 -4.23 -1.26 -3.80 115.64 116.65 2qky s THR 44 Ca 0.37 -0.61 -0.12 0.00 -1.18 0.00 0.00 61.69 60.15 2qky s THR 44 Cb -0.11 -2.68 -0.11 0.00 1.34 0.00 0.00 72.50 70.95 2qky s THR 44 CO 0.22 0.00 1.38 0.25 -0.54 0.00 0.00 174.62 175.94 2qky h LEU 45 N -0.36 0.97 -0.53 4.79 5.85 -1.95 -2.86 115.31 121.21 2qky h LEU 45 Ca -0.38 -0.55 0.03 0.00 0.84 0.00 0.00 57.88 57.82 2qky h LEU 45 Cb 1.28 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 2qky h LEU 45 CO 0.44 1.35 0.32 0.74 -0.34 0.00 0.00 178.44 180.95 2qky h THR 46 N 0.64 1.05 -0.12 1.05 2.02 -1.99 0.31 112.91 115.87 2qky h THR 46 Ca -0.00 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 67.00 2qky h THR 46 Cb 1.22 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 2qky h THR 46 CO 0.13 0.11 0.14 0.44 0.37 0.00 0.00 175.52 176.71 2qky h ASP 47 N 0.63 0.00 0.00 4.18 3.45 -1.90 -0.49 116.42 122.29 2qky h ASP 47 Ca 0.22 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.62 2qky h ASP 47 Cb 0.03 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.79 2qky h ASP 47 CO -0.10 0.00 -0.37 0.22 -1.57 0.00 0.00 179.24 177.43 2qky h TYR 48 N 0.00 0.00 0.00 4.55 3.20 -0.79 -2.69 116.97 121.24 2qky h TYR 48 Ca 0.06 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 2qky h TYR 48 Cb 0.33 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 2qky h TYR 48 CO 0.00 0.80 -0.16 -0.07 -1.64 0.00 0.00 178.16 177.09 2qky h LEU 49 N -1.00 0.00 -1.50 2.82 3.38 -0.80 -2.67 115.31 115.54 2qky h LEU 49 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2qky h LEU 49 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2qky h LEU 49 CO -0.05 0.16 -0.06 0.29 0.09 0.00 0.00 178.44 178.87 2qky n LYS 50 N -4.01 1.96 -3.76 1.13 4.76 -0.22 -4.99 118.16 113.04 2qky n LYS 50 Ca -0.02 -1.50 -0.24 0.00 -2.87 0.00 0.00 58.31 53.68 2qky n LYS 50 Cb 0.25 -1.47 0.02 0.00 -1.84 0.00 0.00 35.03 31.99 2qky n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2qky n ASN 51 N 0.79 -1.62 0.03 4.39 4.05 -1.01 -4.91 115.26 116.98 2qky n ASN 51 Ca 0.15 -0.90 -0.13 0.00 0.45 0.00 0.00 54.58 54.15 2qky n ASN 51 Cb 0.51 -3.71 -0.09 0.00 1.23 0.00 0.00 39.78 37.72 2qky n ASN 51 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 2qky h THR 52 N -1.84 1.17 -2.27 -0.44 1.35 -1.78 -3.35 112.91 105.75 2qky h THR 52 Ca -0.62 -1.08 -0.70 0.00 -0.55 0.00 0.00 66.41 63.45 2qky h THR 52 Cb 1.36 1.85 -0.17 0.00 -1.73 0.00 0.00 68.15 69.46 2qky h THR 52 CO 0.57 0.26 1.03 -0.31 -0.25 0.00 0.00 175.52 176.82 2qky s TYR 53 N -4.10 3.22 1.20 4.73 2.02 -1.26 -5.00 117.35 118.16 2qky s TYR 53 Ca -0.15 -1.61 -0.17 0.00 -0.37 0.00 0.00 57.07 54.77 2qky s TYR 53 Cb 0.01 -4.31 0.23 0.00 -0.40 0.00 0.00 41.96 37.50 2qky s TYR 53 CO 0.61 -1.48 0.53 0.54 -1.57 0.00 0.00 175.55 174.18 2qky n ARG 54 N 6.36 -2.66 -3.86 -0.62 5.12 -1.26 -5.01 116.66 114.74 2qky n ARG 54 Ca 0.28 -0.77 -0.30 0.00 -1.93 0.00 0.00 57.85 55.14 2qky n ARG 54 Cb 0.47 -1.86 -0.16 0.00 -1.16 0.00 0.00 32.46 29.76 2qky n ARG 54 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2qky s LEU 55 N -4.27 2.50 0.07 0.55 1.98 -1.26 -4.87 118.68 113.39 2qky s LEU 55 Ca 0.60 -1.35 -0.31 0.00 -2.89 0.00 0.00 54.13 50.18 2qky s LEU 55 Cb -0.16 -1.05 -0.06 0.00 0.66 0.00 0.00 46.19 45.59 2qky s LEU 55 CO 0.60 -0.31 1.22 -0.54 -1.89 0.00 0.00 176.35 175.42 2qky s LYS 56 N 1.48 4.42 0.20 1.98 1.02 -1.26 -5.03 119.74 122.54 2qky s LYS 56 Ca 0.01 1.81 0.02 0.00 0.02 0.00 0.00 55.97 57.83 2qky s LYS 56 Cb -0.18 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 2qky s LYS 56 CO -0.12 -0.26 0.02 -0.48 -0.92 0.00 0.00 175.35 173.59 2qky s LEU 57 N 0.99 2.03 -0.60 3.17 0.05 -1.26 -4.79 118.68 118.26 2qky s LEU 57 Ca 0.59 -1.22 0.05 0.00 0.05 0.00 0.00 54.13 53.60 2qky s LEU 57 Cb -0.30 -0.07 0.18 0.00 -2.05 0.00 0.00 46.19 43.94 2qky s LEU 57 CO 0.30 -0.59 0.47 0.00 -0.55 0.00 0.00 176.35 175.98 2qky n TYR 58 N -0.31 1.90 -2.53 3.48 4.19 -1.26 -5.05 117.16 117.57 2qky n TYR 58 Ca -0.05 -3.97 -0.43 0.00 3.31 0.00 0.00 57.90 56.76 2qky n TYR 58 Cb 0.64 -0.34 -0.02 0.00 0.49 0.00 0.00 39.34 40.11 2qky n TYR 58 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 2qky s SER 59 N -1.07 6.70 0.28 2.98 0.15 -1.26 -5.01 113.70 116.47 2qky s SER 59 Ca 0.29 0.89 0.12 0.00 0.70 0.00 0.00 55.95 57.95 2qky s SER 59 Cb 0.00 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.72 2qky s SER 59 CO -0.17 -1.11 -0.18 -1.48 1.20 0.00 0.00 173.24 171.50 2qky s LEU 60 N 4.30 2.65 -0.28 3.45 0.05 -1.26 -4.56 118.68 123.03 2qky s LEU 60 Ca 0.51 -1.00 0.01 0.00 0.05 0.00 0.00 54.13 53.69 2qky s LEU 60 Cb -0.12 -1.15 0.08 0.00 -2.05 0.00 0.00 46.19 42.95 2qky s LEU 60 CO 0.24 0.03 0.02 -0.13 -0.55 0.00 0.00 176.35 175.96 2qky s ARG 61 N -3.53 1.24 0.08 1.48 0.52 -0.48 -4.99 118.95 113.27 2qky s ARG 61 Ca 0.30 -1.18 -0.31 0.00 -0.52 0.00 0.00 55.73 54.02 2qky s ARG 61 Cb -0.05 -2.51 -0.10 0.00 0.52 0.00 0.00 34.95 32.81 2qky s ARG 61 CO 0.15 -0.80 1.89 0.91 0.02 0.00 0.00 175.30 177.48 2qky n TRP 62 N 4.66 2.56 -0.07 -0.53 7.02 -1.26 -1.10 117.44 128.71 2qky n TRP 62 Ca -0.05 -0.23 -0.16 0.00 -1.02 0.00 0.00 57.50 56.04 2qky n TRP 62 Cb 0.43 -2.76 -0.14 0.00 -2.42 0.00 0.00 31.31 26.43 2qky n TRP 62 CO 0.00 0.00 0.00 1.51 -2.02 0.00 0.00 177.69 177.18 2qky n ILE 63 N 5.05 1.57 -4.10 -0.99 0.13 0.16 -4.85 119.36 116.33 2qky n ILE 63 Ca 0.19 -0.69 -0.07 0.00 -1.10 0.00 0.00 62.75 61.07 2qky n ILE 63 Cb 0.38 -1.24 -0.03 0.00 -0.84 0.00 0.00 39.64 37.91 2qky n ILE 63 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 2qky n SER 64 N -3.18 -0.27 0.31 9.51 3.41 -0.55 -4.94 113.62 117.91 2qky n SER 64 Ca -0.34 -1.81 0.19 0.00 -0.26 0.00 0.00 58.87 56.64 2qky n SER 64 Cb 1.05 0.63 1.00 0.00 -0.26 0.00 0.00 64.21 66.64 2qky n SER 64 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2qky h ASP 65 N 0.76 0.00 0.00 4.04 3.58 -1.93 -3.16 116.42 119.71 2qky h ASP 65 Ca -0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2qky h ASP 65 Cb 0.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2qky h ASP 65 CO 0.13 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.49 2qky n HIS 66 N -3.22 0.00 -4.94 0.28 1.44 -1.26 -4.49 115.22 103.03 2qky n HIS 66 Ca -0.02 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.42 2qky n HIS 66 Cb 0.22 0.04 -0.15 0.00 0.12 0.00 0.00 29.99 30.21 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 1.66 -0.08 -1.40 0.41 -1.22 -1.28 118.70 116.79 2qky s GLU 67 Ca 0.00 -0.84 -0.06 0.00 -0.41 0.00 0.00 54.97 53.66 2qky s GLU 67 Cb 0.00 -1.66 0.03 0.00 -1.78 0.00 0.00 34.13 30.71 2qky s GLU 67 CO 0.00 0.45 0.20 1.52 -0.49 0.00 0.00 175.26 176.94 2qky s TYR 68 N -0.60 -0.23 0.42 1.61 -0.85 -0.94 0.39 117.35 117.14 2qky s TYR 68 Ca 0.08 0.58 -0.22 0.00 -0.52 0.00 0.00 57.07 56.99 2qky s TYR 68 Cb -0.09 0.05 -0.10 0.00 0.38 0.00 0.00 41.96 42.20 2qky s TYR 68 CO 0.00 -0.14 0.97 -0.51 -1.52 0.00 0.00 175.55 174.35 2qky s LEU 69 N 0.48 4.01 -0.25 -3.49 1.43 -0.26 -1.75 118.68 118.86 2qky s LEU 69 Ca -0.03 1.79 -0.07 0.00 -1.03 0.00 0.00 54.13 54.78 2qky s LEU 69 Cb -0.05 -4.42 0.12 0.00 0.03 0.00 0.00 46.19 41.87 2qky s LEU 69 CO -0.02 -0.39 0.52 -0.47 0.23 0.00 0.00 176.35 176.21 2qky s TYR 70 N -2.00 -1.08 0.88 0.29 5.04 -0.42 -1.39 117.35 118.67 2qky s TYR 70 Ca 0.60 1.77 -0.12 0.00 -2.44 0.00 0.00 57.07 56.89 2qky s TYR 70 Cb -0.13 0.49 0.10 0.00 0.35 0.00 0.00 41.96 42.77 2qky s TYR 70 CO 0.17 -0.61 1.02 1.17 -1.34 0.00 0.00 175.55 175.96 2qky n LYS 71 N 5.41 -0.18 0.00 4.97 3.00 -1.26 -2.11 118.16 127.99 2qky n LYS 71 Ca -0.09 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 2qky n LYS 71 Cb 0.49 -2.29 0.00 0.00 0.00 0.00 0.00 35.03 33.24 2qky n LYS 71 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2qky n GLN 72 N -3.35 0.00 -2.97 1.64 7.27 -0.96 -4.87 117.38 114.14 2qky n GLN 72 Ca 0.12 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 57.06 2qky n GLN 72 Cb 0.52 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.14 2qky n GLN 72 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2qky n GLU 73 N -0.03 -2.12 -1.17 3.69 -0.58 -1.26 0.26 120.64 119.44 2qky n GLU 73 Ca 0.00 0.04 -0.06 0.00 -0.42 0.00 0.00 57.16 56.72 2qky n GLU 73 Cb 0.00 -4.15 -0.03 0.00 -0.57 0.00 0.00 31.44 26.69 2qky n GLU 73 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2qky n ASN 74 N -1.63 -4.04 -4.01 1.62 5.03 -1.26 -4.77 115.26 106.20 2qky n ASN 74 Ca 0.04 0.14 -0.23 0.00 0.87 0.00 0.00 54.58 55.40 2qky n ASN 74 Cb 0.44 -2.05 -0.16 0.00 -1.02 0.00 0.00 39.78 36.98 2qky n ASN 74 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2qky s ASN 75 N -2.65 1.60 -0.13 6.41 2.20 0.74 -3.55 114.94 119.56 2qky s ASN 75 Ca 0.00 -0.26 -0.26 0.00 -0.94 0.00 0.00 52.86 51.40 2qky s ASN 75 Cb 0.00 -0.69 -0.02 0.00 -2.00 0.00 0.00 41.25 38.54 2qky s ASN 75 CO 0.00 0.03 0.84 -0.63 -2.94 0.00 0.00 177.10 174.40 2qky s ILE 76 N 0.59 4.90 0.04 0.54 1.01 -1.04 -2.27 121.20 124.97 2qky s ILE 76 Ca -0.12 1.68 0.04 0.00 0.00 0.00 0.00 60.65 62.25 2qky s ILE 76 Cb -0.14 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 2qky s ILE 76 CO 0.03 0.08 -0.05 -0.76 0.00 0.00 0.00 174.94 174.24 2qky s LEU 77 N 1.76 3.25 0.36 2.97 1.02 -0.90 0.19 118.68 127.34 2qky s LEU 77 Ca 0.40 -0.18 0.00 0.00 0.02 0.00 0.00 54.13 54.38 2qky s LEU 77 Cb -0.17 -1.92 -0.03 0.00 0.02 0.00 0.00 46.19 44.09 2qky s LEU 77 CO 0.16 0.24 0.57 0.54 0.02 0.00 0.00 176.35 177.88 2qky s VAL 78 N -1.11 5.01 0.01 -1.59 0.11 -1.22 -1.31 120.40 120.30 2qky s VAL 78 Ca 0.20 -0.42 -0.00 0.00 -2.93 0.00 0.00 61.98 58.82 2qky s VAL 78 Cb -0.11 -3.83 -0.01 0.00 -1.53 0.00 0.00 36.38 30.89 2qky s VAL 78 CO 0.11 -0.56 -0.01 -0.36 -3.33 0.00 0.00 175.10 170.95 2qky s PHE 79 N -2.36 0.13 -0.26 1.54 0.08 -0.71 -1.87 117.98 114.52 2qky s PHE 79 Ca 0.41 -0.27 -0.10 0.00 0.12 0.00 0.00 56.93 57.10 2qky s PHE 79 Cb -0.10 -0.10 -0.04 0.00 -0.57 0.00 0.00 43.02 42.21 2qky s PHE 79 CO 0.37 -0.11 0.14 1.21 -0.10 0.00 0.00 175.22 176.73 2qky s ASN 80 N -0.78 5.69 0.28 1.36 3.84 -0.97 -2.22 114.94 122.14 2qky s ASN 80 Ca -0.09 -0.07 0.01 0.00 0.21 0.00 0.00 52.86 52.92 2qky s ASN 80 Cb -0.05 -2.04 0.52 0.00 -0.55 0.00 0.00 41.25 39.13 2qky s ASN 80 CO -0.00 -0.03 1.85 0.00 -2.79 0.00 0.00 177.10 176.12 2qky h ALA 81 N 8.22 1.50 -0.97 1.71 0.00 -1.54 -2.29 119.26 125.89 2qky h ALA 81 Ca -0.36 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2qky h ALA 81 Cb 1.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2qky h ALA 81 CO 0.57 0.28 0.00 -1.91 0.00 0.00 0.00 179.25 178.19 2qky n GLU 82 N -4.58 0.00 -0.05 0.00 4.07 -1.26 -4.49 120.64 114.33 2qky n GLU 82 Ca 0.18 0.34 -0.14 0.00 -0.06 0.00 0.00 57.16 57.48 2qky n GLU 82 Cb 0.31 -1.28 -0.12 0.00 -0.06 0.00 0.00 31.44 30.29 2qky n GLU 82 CO 0.00 0.00 0.00 1.88 -0.06 0.00 0.00 177.13 178.95 2qky h TYR 83 N 0.00 0.05 0.00 4.31 -1.99 -1.99 -3.49 116.97 113.85 2qky h TYR 83 Ca 0.00 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 2qky h TYR 83 Cb 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2qky h TYR 83 CO 0.14 0.88 0.00 0.41 -0.00 0.00 0.00 178.16 179.59 2qky n GLY 84 N 1.23 1.54 3.75 3.88 0.00 -0.86 -5.08 105.19 109.65 2qky n GLY 84 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.55 4.72 0.44 1.61 4.22 -1.26 -4.72 114.94 118.40 2qky s ASN 85 Ca 0.00 2.18 0.04 0.00 -2.14 0.00 0.00 52.86 52.93 2qky s ASN 85 Cb 0.00 -2.57 -0.02 0.00 1.28 0.00 0.00 41.25 39.94 2qky s ASN 85 CO 0.00 -1.90 0.13 -0.94 -2.04 0.00 0.00 177.10 172.35 2qky s SER 86 N -2.27 3.06 -0.35 3.54 1.04 -1.26 -2.29 113.70 115.16 2qky s SER 86 Ca 0.71 -1.72 0.06 0.00 0.48 0.00 0.00 55.95 55.48 2qky s SER 86 Cb -0.25 0.60 0.19 0.00 0.10 0.00 0.00 66.02 66.66 2qky s SER 86 CO 0.42 -0.97 0.64 -0.44 0.98 0.00 0.00 173.24 173.86 2qky s SER 87 N -3.66 -1.52 0.00 7.02 0.01 -0.78 -4.95 113.70 109.81 2qky s SER 87 Ca 0.19 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.12 2qky s SER 87 Cb 0.01 1.94 0.00 0.00 0.21 0.00 0.00 66.02 68.18 2qky s SER 87 CO 0.13 -0.22 0.00 0.52 0.41 0.00 0.00 173.24 174.08 2qky n VAL 88 N 4.84 0.00 0.14 3.43 0.31 -1.26 -3.42 118.33 122.37 2qky n VAL 88 Ca 0.08 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.52 2qky n VAL 88 Cb 0.56 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.54 2qky n VAL 88 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2qky h PHE 89 N 0.00 0.00 -0.70 3.52 3.04 0.18 -3.45 116.94 119.52 2qky h PHE 89 Ca 0.00 0.00 0.14 0.00 3.98 0.00 0.00 57.97 62.09 2qky h PHE 89 Cb 0.00 0.00 -0.21 0.00 2.56 0.00 0.00 35.95 38.30 2qky h PHE 89 CO 0.00 0.03 -0.14 -1.17 -2.02 0.00 0.00 178.31 175.02 2qky s LEU 90 N -5.69 -1.04 0.22 0.59 2.96 0.21 -4.93 118.68 111.00 2qky s LEU 90 Ca 0.02 0.46 -0.32 0.00 -0.22 0.00 0.00 54.13 54.07 2qky s LEU 90 Cb 0.08 1.79 -0.13 0.00 0.50 0.00 0.00 46.19 48.43 2qky s LEU 90 CO 0.75 -0.19 1.48 1.21 -1.32 0.00 0.00 176.35 178.27 2qky n GLU 91 N 5.40 2.11 0.21 1.98 2.13 -1.26 -2.50 120.64 128.71 2qky n GLU 91 Ca -0.00 0.76 0.14 0.00 0.66 0.00 0.00 57.16 58.72 2qky n GLU 91 Cb 0.53 -2.46 0.76 0.00 0.27 0.00 0.00 31.44 30.54 2qky n GLU 91 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 2qky h ASN 92 N 4.83 0.00 -0.39 4.31 7.08 -1.86 -1.69 115.58 127.87 2qky h ASN 92 Ca -0.45 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.77 2qky h ASN 92 Cb 1.27 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.51 2qky h ASN 92 CO 0.80 0.00 0.00 -1.54 -2.08 0.00 0.00 177.43 174.61 2qky n SER 93 N -2.49 3.28 0.01 6.14 3.41 -1.26 -4.38 113.62 118.33 2qky n SER 93 Ca -0.02 -2.34 -0.11 0.00 -0.26 0.00 0.00 58.87 56.14 2qky n SER 93 Cb 0.06 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.43 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 2.50 1.11 -1.08 6.66 2.02 -1.66 -3.36 112.91 119.10 2qky h THR 94 Ca 0.00 -1.35 -0.68 0.00 0.77 0.00 0.00 66.41 65.15 2qky h THR 94 Cb 1.08 1.91 -0.30 0.00 -1.74 0.00 0.00 68.15 69.09 2qky h THR 94 CO 0.18 0.30 0.78 0.49 0.37 0.00 0.00 175.52 177.64 2qky n PHE 95 N -4.84 3.19 0.03 3.16 3.72 -1.26 -4.61 117.46 116.83 2qky n PHE 95 Ca -0.08 -2.92 -0.12 0.00 -0.05 0.00 0.00 57.45 54.28 2qky n PHE 95 Cb 0.29 -1.35 -0.09 0.00 -0.94 0.00 0.00 39.48 37.39 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 2.11 -0.11 0.00 4.37 5.19 -1.83 -3.17 116.42 122.98 2qky h ASP 96 Ca 0.59 -0.45 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 2qky h ASP 96 Cb 0.79 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.32 2qky h ASP 96 CO 1.53 0.45 0.00 1.21 -3.12 0.00 0.00 179.24 179.30 2qky n GLU 97 N -4.88 0.59 -0.02 3.56 4.07 -1.26 -3.48 120.64 119.22 2qky n GLU 97 Ca -0.08 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.03 2qky n GLU 97 Cb 0.28 -1.20 -0.13 0.00 -0.06 0.00 0.00 31.44 30.33 2qky n GLU 97 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2qky n PHE 98 N 1.45 0.36 -3.55 4.31 7.35 -1.20 -5.03 117.46 121.16 2qky n PHE 98 Ca 0.00 0.12 -0.21 0.00 -0.76 0.00 0.00 57.45 56.59 2qky n PHE 98 Cb 0.30 -0.85 0.05 0.00 0.35 0.00 0.00 39.48 39.32 2qky n PHE 98 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2qky n GLY 99 N 1.44 -0.65 3.65 7.13 0.00 -1.23 -4.99 105.19 110.55 2qky n GLY 99 Ca -0.14 0.30 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.52 -0.04 0.49 1.61 3.76 -1.26 -5.15 115.29 111.18 2qky s HIS 100 Ca 0.20 0.08 -0.14 0.00 -0.15 0.00 0.00 55.06 55.06 2qky s HIS 100 Cb -0.05 0.35 -0.07 0.00 1.11 0.00 0.00 32.58 33.92 2qky s HIS 100 CO 0.79 -0.02 0.92 0.45 -0.85 0.00 0.00 174.74 176.03 2qky s SER 101 N 0.32 6.56 -0.11 1.40 0.15 -1.26 -5.02 113.70 115.74 2qky s SER 101 Ca 0.03 1.41 -0.10 0.00 0.70 0.00 0.00 55.95 57.99 2qky s SER 101 Cb -0.04 -2.44 -0.05 0.00 -1.71 0.00 0.00 66.02 61.78 2qky s SER 101 CO -0.14 -0.55 0.21 -0.63 1.20 0.00 0.00 173.24 173.33 2qky s ILE 102 N -2.59 5.37 -0.19 6.45 1.01 -1.26 -4.57 121.20 125.42 2qky s ILE 102 Ca 0.56 0.38 -0.08 0.00 0.00 0.00 0.00 60.65 61.51 2qky s ILE 102 Cb -0.10 -3.51 -0.21 0.00 0.01 0.00 0.00 42.46 38.65 2qky s ILE 102 CO 0.33 0.55 0.11 -3.20 0.00 0.00 0.00 174.94 172.73 2qky n ASN 103 N 2.42 2.02 -3.81 3.58 5.15 0.25 -5.02 115.26 119.87 2qky n ASN 103 Ca -0.17 0.18 -0.10 0.00 -0.60 0.00 0.00 54.58 53.89 2qky n ASN 103 Cb 0.54 -0.77 -0.05 0.00 -0.53 0.00 0.00 39.78 38.97 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 -6.93 -0.15 0.06 1.20 -1.08 -1.25 -5.05 116.67 103.47 2qky s ASP 104 Ca -0.29 -0.60 0.00 0.00 -0.52 0.00 0.00 52.55 51.15 2qky s ASP 104 Cb 0.08 0.52 -0.04 0.00 -1.46 0.00 0.00 42.92 42.02 2qky s ASP 104 CO 0.66 -0.98 -0.04 -0.72 0.52 0.00 0.00 175.17 174.61 2qky s TYR 105 N -3.90 0.61 -0.21 -5.34 1.13 -1.26 -1.93 117.35 106.45 2qky s TYR 105 Ca 0.11 -0.94 -0.04 0.00 -1.41 0.00 0.00 57.07 54.79 2qky s TYR 105 Cb 0.01 -0.41 0.09 0.00 -1.10 0.00 0.00 41.96 40.55 2qky s TYR 105 CO -0.03 -0.28 0.18 0.45 -2.51 0.00 0.00 175.55 173.36 2qky s SER 106 N -2.73 1.87 -0.26 -0.18 0.15 -0.58 -4.96 113.70 107.00 2qky s SER 106 Ca 0.05 -0.47 -0.29 0.00 0.70 0.00 0.00 55.95 55.94 2qky s SER 106 Cb 0.04 0.14 0.01 0.00 -1.71 0.00 0.00 66.02 64.50 2qky s SER 106 CO -0.07 -0.35 1.07 -0.63 1.20 0.00 0.00 173.24 174.46 2qky s ILE 107 N 2.25 4.58 0.25 6.45 1.09 -1.26 -0.82 121.20 133.75 2qky s ILE 107 Ca 0.06 1.88 -0.31 0.00 -1.10 0.00 0.00 60.65 61.18 2qky s ILE 107 Cb -0.16 -4.33 -0.12 0.00 -1.06 0.00 0.00 42.46 36.79 2qky s ILE 107 CO -0.15 -0.30 1.61 -1.54 -0.10 0.00 0.00 174.94 174.46 2qky n SER 108 N 6.58 3.70 -0.45 3.58 3.41 -0.65 -4.84 113.62 124.93 2qky n SER 108 Ca 0.12 1.11 0.37 0.00 -0.26 0.00 0.00 58.87 60.22 2qky n SER 108 Cb 0.46 -1.55 0.61 0.00 -0.26 0.00 0.00 64.21 63.47 2qky n SER 108 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2qky n PRO 109 N 2.80 -0.02 -0.17 4.33 -0.04 -1.26 -0.56 135.00 140.08 2qky n PRO 109 Ca 0.12 1.05 -0.02 0.00 -0.04 0.00 0.00 63.50 64.61 2qky n PRO 109 Cb 0.35 -2.14 0.04 0.00 -0.04 0.00 0.00 33.50 31.71 2qky n PRO 109 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2qky n ASP 110 N -4.26 2.67 0.00 3.54 3.85 -0.94 -4.84 116.55 116.58 2qky n ASP 110 Ca 0.36 -2.21 0.00 0.00 -0.71 0.00 0.00 54.79 52.22 2qky n ASP 110 Cb 1.44 -0.54 0.00 0.00 -1.35 0.00 0.00 41.12 40.67 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 0.20 0.00 0.19 6.12 0.00 0.28 -4.57 105.19 107.41 2qky n GLY 111 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 2qky n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2qky h GLN 112 N 0.00 0.29 -5.67 1.61 4.20 -1.89 -3.45 115.11 110.20 2qky h GLN 112 Ca 0.00 -0.02 -0.63 0.00 0.06 0.00 0.00 58.65 58.06 2qky h GLN 112 Cb 0.00 -0.07 -0.13 0.00 0.30 0.00 0.00 27.48 27.58 2qky h GLN 112 CO 0.00 0.19 -0.61 -0.06 -0.67 0.00 0.00 178.83 177.69 2qky s PHE 113 N -6.14 2.51 -0.17 2.96 0.08 -1.26 -2.75 117.98 113.21 2qky s PHE 113 Ca -0.13 -0.66 -0.09 0.00 0.12 0.00 0.00 56.93 56.17 2qky s PHE 113 Cb 0.14 -1.75 0.06 0.00 -0.57 0.00 0.00 43.02 40.91 2qky s PHE 113 CO 0.72 0.46 0.41 -1.50 -0.10 0.00 0.00 175.22 175.21 2qky s ILE 114 N -2.71 -0.12 -0.07 0.64 2.07 -1.07 -1.64 121.20 118.30 2qky s ILE 114 Ca 0.35 0.11 -0.25 0.00 -1.41 0.00 0.00 60.65 59.45 2qky s ILE 114 Cb 0.09 -0.61 -0.03 0.00 0.13 0.00 0.00 42.46 42.04 2qky s ILE 114 CO 0.18 0.04 0.78 -0.22 -1.91 0.00 0.00 174.94 173.81 2qky s LEU 115 N 1.58 4.30 -0.13 8.50 2.96 0.00 -0.53 118.68 135.37 2qky s LEU 115 Ca -0.08 1.28 -0.03 0.00 -0.22 0.00 0.00 54.13 55.08 2qky s LEU 115 Cb -0.09 -3.21 -0.03 0.00 0.50 0.00 0.00 46.19 43.37 2qky s LEU 115 CO -0.13 -0.20 -0.03 -0.76 -1.32 0.00 0.00 176.35 173.92 2qky s LEU 116 N 1.10 3.33 -0.06 -0.68 1.43 0.64 -1.53 118.68 122.90 2qky s LEU 116 Ca 0.40 -0.04 0.05 0.00 -1.03 0.00 0.00 54.13 53.51 2qky s LEU 116 Cb -0.18 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 2qky s LEU 116 CO 0.19 0.25 -0.23 -0.70 0.23 0.00 0.00 176.35 176.08 2qky s GLU 117 N -0.10 2.64 0.31 1.70 2.12 -0.81 0.15 118.70 124.71 2qky s GLU 117 Ca 0.03 -0.88 -0.09 0.00 0.36 0.00 0.00 54.97 54.39 2qky s GLU 117 Cb -0.13 -2.22 0.01 0.00 0.26 0.00 0.00 34.13 32.05 2qky s GLU 117 CO 0.02 0.37 0.52 1.52 -0.54 0.00 0.00 175.26 177.16 2qky s TYR 118 N -0.13 0.64 -1.29 5.30 1.13 -0.27 -0.58 117.35 122.15 2qky s TYR 118 Ca -0.04 -0.99 -0.02 0.00 -1.41 0.00 0.00 57.07 54.60 2qky s TYR 118 Cb -0.14 0.16 -0.00 0.00 -1.10 0.00 0.00 41.96 40.88 2qky s TYR 118 CO 0.04 -1.14 0.70 0.09 -2.51 0.00 0.00 175.55 172.72 2qky n ASN 119 N -0.99 -1.72 -4.75 -0.18 3.02 -1.26 -0.85 115.26 108.53 2qky n ASN 119 Ca -0.01 -0.85 -0.41 0.00 -0.03 0.00 0.00 54.58 53.28 2qky n ASN 119 Cb 0.61 -3.98 -0.03 0.00 -0.61 0.00 0.00 39.78 35.77 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 -3.66 3.26 -0.39 3.10 5.04 -1.26 -3.98 117.35 119.46 2qky s TYR 120 Ca 0.07 1.41 0.04 0.00 -2.44 0.00 0.00 57.07 56.15 2qky s TYR 120 Cb -0.02 -3.55 0.16 0.00 0.35 0.00 0.00 41.96 38.91 2qky s TYR 120 CO 0.82 -1.53 0.43 0.08 -1.34 0.00 0.00 175.55 174.01 2qky s VAL 121 N -0.66 -0.37 0.01 3.14 1.01 0.38 -4.97 120.40 118.94 2qky s VAL 121 Ca 0.51 -1.09 -0.32 0.00 0.00 0.00 0.00 61.98 61.07 2qky s VAL 121 Cb -0.36 -0.61 -0.16 0.00 0.00 0.00 0.00 36.38 35.24 2qky s VAL 121 CO 0.44 -0.56 0.86 1.17 0.00 0.00 0.00 175.10 177.02 2qky n LYS 122 N 3.97 0.00 0.00 2.72 4.81 -1.26 -2.76 118.16 125.64 2qky n LYS 122 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 2qky n LYS 122 Cb 0.47 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 34.31 2qky n LYS 122 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2qky n GLN 123 N 1.22 0.00 0.00 1.64 7.27 -1.10 -4.87 117.38 121.54 2qky n GLN 123 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.23 2qky n GLN 123 Cb 0.07 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.72 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 -1.03 0.00 -0.13 3.69 5.03 -1.20 -4.99 117.44 118.81 2qky n TRP 124 Ca 0.00 0.00 -0.19 0.00 3.03 0.00 0.00 57.50 60.34 2qky n TRP 124 Cb 0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 31.31 30.16 2qky n TRP 124 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 2qky n ARG 125 N 0.00 0.63 -0.00 -0.99 3.00 -1.26 -4.71 116.66 113.33 2qky n ARG 125 Ca 0.00 0.16 -0.01 0.00 -0.00 0.00 0.00 57.85 58.01 2qky n ARG 125 Cb 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 32.46 30.95 2qky n ARG 125 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2qky n HIS 126 N -3.37 0.00 -1.27 -0.14 8.25 -1.26 -5.04 115.22 112.39 2qky n HIS 126 Ca -0.46 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 56.69 2qky n HIS 126 Cb 0.97 -0.05 0.10 0.00 1.12 0.00 0.00 29.99 32.14 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 -3.24 4.25 0.02 0.41 1.04 -1.26 -4.74 113.70 110.18 2qky s SER 127 Ca -0.01 1.70 -0.29 0.00 0.48 0.00 0.00 55.95 57.83 2qky s SER 127 Cb 0.00 -2.40 0.10 0.00 0.10 0.00 0.00 66.02 63.83 2qky s SER 127 CO 0.04 -2.18 1.15 -0.72 0.98 0.00 0.00 173.24 172.51 2qky s TYR 128 N -2.93 -0.10 0.09 5.02 -0.85 -1.26 -2.70 117.35 114.61 2qky s TYR 128 Ca 0.62 -0.07 0.09 0.00 -0.52 0.00 0.00 57.07 57.19 2qky s TYR 128 Cb -0.17 0.57 -0.03 0.00 0.38 0.00 0.00 41.96 42.71 2qky s TYR 128 CO 0.56 -0.47 -0.24 0.95 -1.52 0.00 0.00 175.55 174.83 2qky s THR 129 N -2.75 2.01 0.00 -3.49 -4.23 -1.11 -4.81 115.64 101.26 2qky s THR 129 Ca 0.12 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 2qky s THR 129 Cb 0.02 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 72.09 2qky s THR 129 CO -0.02 0.15 0.00 0.00 -0.54 0.00 0.00 174.62 174.21 2qky n ALA 130 N 1.33 0.00 -1.79 3.99 0.00 -1.26 -0.47 120.51 122.32 2qky n ALA 130 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.91 2qky n ALA 130 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 2qky n ALA 130 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2qky s SER 131 N 0.00 6.33 0.05 0.00 0.01 -0.03 -4.33 113.70 115.74 2qky s SER 131 Ca 0.00 2.05 0.06 0.00 1.31 0.00 0.00 55.95 59.37 2qky s SER 131 Cb 0.00 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 2qky s SER 131 CO 0.00 -0.79 -0.16 -0.31 0.41 0.00 0.00 173.24 172.38 2qky s TYR 132 N -1.80 1.42 -0.01 2.43 1.51 -1.26 -1.12 117.35 118.52 2qky s TYR 132 Ca 0.65 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 56.33 2qky s TYR 132 Cb -0.21 -0.82 0.01 0.00 -0.11 0.00 0.00 41.96 40.82 2qky s TYR 132 CO 0.25 0.07 -0.02 -0.51 -1.11 0.00 0.00 175.55 174.24 2qky s ASP 133 N -1.36 0.35 -0.04 2.29 1.01 0.12 -4.61 116.67 114.43 2qky s ASP 133 Ca 0.03 -0.04 -0.01 0.00 0.71 0.00 0.00 52.55 53.24 2qky s ASP 133 Cb -0.09 -0.09 -0.04 0.00 1.01 0.00 0.00 42.92 43.72 2qky s ASP 133 CO 0.02 -0.00 0.03 -0.51 0.21 0.00 0.00 175.17 174.91 2qky s ILE 134 N 0.25 4.41 -0.07 0.77 2.07 -1.26 0.24 121.20 127.60 2qky s ILE 134 Ca -0.02 -0.39 0.04 0.00 -1.41 0.00 0.00 60.65 58.87 2qky s ILE 134 Cb -0.05 -2.94 0.00 0.00 0.13 0.00 0.00 42.46 39.61 2qky s ILE 134 CO -0.01 0.46 -0.19 -0.47 -1.91 0.00 0.00 174.94 172.83 2qky s TYR 135 N -1.04 1.97 -0.19 3.50 5.04 0.31 -3.61 117.35 123.33 2qky s TYR 135 Ca 0.18 -0.69 -0.23 0.00 -2.44 0.00 0.00 57.07 53.88 2qky s TYR 135 Cb -0.12 -1.34 -0.02 0.00 0.35 0.00 0.00 41.96 40.83 2qky s TYR 135 CO 0.08 -0.28 0.74 0.34 -1.34 0.00 0.00 175.55 175.10 2qky s ASP 136 N 0.28 6.82 -0.01 4.32 -1.08 -0.55 -2.61 116.67 123.83 2qky s ASP 136 Ca -0.11 1.00 -0.24 0.00 -0.52 0.00 0.00 52.55 52.68 2qky s ASP 136 Cb -0.15 -2.41 -0.17 0.00 -1.46 0.00 0.00 42.92 38.74 2qky s ASP 136 CO 0.05 -0.36 1.16 -0.07 0.52 0.00 0.00 175.17 176.46 2qky h LEU 137 N 8.42 -0.25 0.00 -1.34 -0.00 -1.83 0.41 115.31 120.72 2qky h LEU 137 Ca -0.29 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.33 2qky h LEU 137 Cb 1.13 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 2qky h LEU 137 CO 0.81 0.18 0.00 -3.20 -0.00 0.00 0.00 178.44 176.23 2qky n ASN 138 N -5.03 0.00 0.01 -0.43 2.85 -1.26 0.62 115.26 112.02 2qky n ASN 138 Ca -0.09 0.39 0.01 0.00 -0.11 0.00 0.00 54.58 54.78 2qky n ASN 138 Cb 0.26 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.33 2qky n ASN 138 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2qky n LYS 139 N -0.76 0.01 -4.20 1.20 4.81 -1.26 -4.77 118.16 113.20 2qky n LYS 139 Ca 0.00 0.51 -0.36 0.00 -0.87 0.00 0.00 58.31 57.59 2qky n LYS 139 Cb 0.00 -1.54 -0.02 0.00 0.02 0.00 0.00 35.03 33.49 2qky n LYS 139 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2qky n ARG 140 N -1.56 -3.43 -4.19 1.64 1.74 0.20 -4.92 116.66 106.14 2qky n ARG 140 Ca -0.00 0.40 -0.15 0.00 -0.77 0.00 0.00 57.85 57.33 2qky n ARG 140 Cb 0.00 -5.15 -0.11 0.00 -1.02 0.00 0.00 32.46 26.18 2qky n ARG 140 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qky s GLN 141 N -6.90 0.88 -0.38 5.56 -1.52 -0.49 -4.94 119.66 111.88 2qky s GLN 141 Ca 0.74 -1.19 -0.23 0.00 -1.95 0.00 0.00 55.36 52.73 2qky s GLN 141 Cb -0.40 -0.57 0.01 0.00 -0.22 0.00 0.00 33.01 31.83 2qky s GLN 141 CO 0.92 0.09 0.75 -1.17 -0.25 0.00 0.00 175.29 175.63 2qky s LEU 142 N -2.52 4.17 -0.56 2.90 2.96 -1.26 -1.48 118.68 122.89 2qky s LEU 142 Ca 0.07 0.24 -0.29 0.00 -0.22 0.00 0.00 54.13 53.93 2qky s LEU 142 Cb -0.02 -2.97 -0.11 0.00 0.50 0.00 0.00 46.19 43.59 2qky s LEU 142 CO 0.00 -0.73 2.43 -0.38 -1.32 0.00 0.00 176.35 176.35 2qky n ILE 143 N 5.80 0.01 0.79 6.68 5.41 -1.24 -4.83 119.36 131.99 2qky n ILE 143 Ca 0.02 -0.51 0.12 0.00 1.00 0.00 0.00 62.75 63.38 2qky n ILE 143 Cb 0.48 -2.10 0.31 0.00 -0.71 0.00 0.00 39.64 37.63 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 7.75 0.21 -4.41 1.39 -2.24 -1.26 -4.78 114.28 110.94 2qky n THR 144 Ca 0.44 -0.14 -0.30 0.00 -2.27 0.00 0.00 64.05 61.78 2qky n THR 144 Cb 0.37 -0.14 -0.12 0.00 -2.10 0.00 0.00 70.33 68.35 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 -3.08 1.81 -0.95 -0.78 -1.05 -1.26 -4.69 118.70 108.70 2qky s GLU 145 Ca 0.10 -1.15 -0.08 0.00 -0.15 0.00 0.00 54.97 53.69 2qky s GLU 145 Cb 0.16 -2.10 -0.02 0.00 -0.44 0.00 0.00 34.13 31.72 2qky s GLU 145 CO 0.66 0.49 0.77 0.39 0.95 0.00 0.00 175.26 178.53 2qky n GLU 146 N 1.01 -1.56 -3.03 -4.83 -0.58 -1.25 -4.45 120.64 105.94 2qky n GLU 146 Ca -0.16 0.94 -0.28 0.00 -0.42 0.00 0.00 57.16 57.24 2qky n GLU 146 Cb 0.53 -4.88 -0.02 0.00 -0.57 0.00 0.00 31.44 26.49 2qky n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2qky s ARG 147 N -4.47 3.63 -0.21 3.49 0.52 -1.26 -4.40 118.95 116.25 2qky s ARG 147 Ca 0.26 0.14 -0.28 0.00 -0.52 0.00 0.00 55.73 55.32 2qky s ARG 147 Cb -0.07 -2.51 -0.05 0.00 0.52 0.00 0.00 34.95 32.84 2qky s ARG 147 CO 0.80 0.03 2.19 0.42 0.02 0.00 0.00 175.30 178.76 2qky s ILE 148 N -2.36 3.03 0.30 1.52 1.01 -1.26 -4.86 121.20 118.58 2qky s ILE 148 Ca 0.46 0.03 -0.10 0.00 0.00 0.00 0.00 60.65 61.05 2qky s ILE 148 Cb -0.10 -3.04 -0.08 0.00 0.01 0.00 0.00 42.46 39.24 2qky s ILE 148 CO 0.35 -0.02 -0.10 -0.81 0.00 0.00 0.00 174.94 174.35 2qky n PRO 149 N 8.68 0.00 -1.33 2.79 -0.04 -1.26 -4.72 135.00 139.12 2qky n PRO 149 Ca 0.29 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.42 2qky n PRO 149 Cb 0.45 -0.55 0.10 0.00 -0.04 0.00 0.00 33.50 33.46 2qky n PRO 149 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2qky s ASN 150 N -0.55 4.10 -1.17 3.54 2.47 -1.26 -3.43 114.94 118.65 2qky s ASN 150 Ca 0.30 2.25 -0.03 0.00 0.42 0.00 0.00 52.86 55.80 2qky s ASN 150 Cb -0.26 -2.58 -0.02 0.00 -1.45 0.00 0.00 41.25 36.94 2qky s ASN 150 CO 0.37 -2.32 0.92 0.59 -3.72 0.00 0.00 177.10 172.94 2qky n ASN 151 N -3.00 -3.49 -4.54 -4.21 3.02 -1.26 -4.93 115.26 96.84 2qky n ASN 151 Ca 0.12 -0.70 -0.43 0.00 -0.03 0.00 0.00 54.58 53.55 2qky n ASN 151 Cb 0.51 -4.91 -0.06 0.00 -0.61 0.00 0.00 39.78 34.71 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 -3.42 4.78 0.14 3.41 2.01 -1.22 -4.54 115.64 116.79 2qky s THR 152 Ca 0.17 0.40 -0.29 0.00 0.31 0.00 0.00 61.69 62.27 2qky s THR 152 Cb -0.03 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 2qky s THR 152 CO 0.75 -0.55 1.57 1.56 -0.69 0.00 0.00 174.62 177.27 2qky h GLN 153 N 8.77 -0.44 -2.78 4.92 4.20 -1.52 -3.39 115.11 124.87 2qky h GLN 153 Ca -0.25 0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.38 2qky h GLN 153 Cb 1.10 0.10 -0.21 0.00 0.30 0.00 0.00 27.48 28.77 2qky h GLN 153 CO 0.90 -0.29 -0.18 -0.46 -0.67 0.00 0.00 178.83 178.12 2qky s TRP 154 N -5.83 -0.33 0.08 2.96 -0.11 -1.13 -4.74 118.94 109.82 2qky s TRP 154 Ca -0.15 0.64 0.06 0.00 1.22 0.00 0.00 56.10 57.87 2qky s TRP 154 Cb 0.10 0.16 -0.03 0.00 -1.50 0.00 0.00 33.47 32.20 2qky s TRP 154 CO 0.64 -0.38 -0.16 0.08 -4.62 0.00 0.00 176.95 172.50 2qky s VAL 155 N -0.89 1.31 -0.27 5.86 1.01 -1.26 0.11 120.40 126.26 2qky s VAL 155 Ca -0.10 -1.35 -0.12 0.00 0.00 0.00 0.00 61.98 60.41 2qky s VAL 155 Cb -0.04 -1.22 0.10 0.00 0.00 0.00 0.00 36.38 35.22 2qky s VAL 155 CO 0.04 -0.14 0.63 0.28 0.00 0.00 0.00 175.10 175.91 2qky s THR 156 N -1.19 -0.46 0.80 3.92 -1.32 0.12 -4.96 115.64 112.55 2qky s THR 156 Ca 0.01 0.02 -0.12 0.00 -1.21 0.00 0.00 61.69 60.39 2qky s THR 156 Cb -0.10 -0.95 0.08 0.00 -1.51 0.00 0.00 72.50 70.02 2qky s THR 156 CO 0.03 0.01 1.13 0.26 -2.21 0.00 0.00 174.62 173.84 2qky s TRP 157 N 2.21 2.17 0.98 9.09 0.23 -1.26 -1.45 118.94 130.91 2qky s TRP 157 Ca -0.08 1.65 -0.12 0.00 -2.03 0.00 0.00 56.10 55.52 2qky s TRP 157 Cb -0.09 -3.23 0.18 0.00 0.03 0.00 0.00 33.47 30.36 2qky s TRP 157 CO -0.19 -2.26 1.10 -1.54 0.96 0.00 0.00 176.95 175.02 2qky s SER 158 N -2.84 2.77 0.40 2.95 1.04 0.54 -4.83 113.70 113.74 2qky s SER 158 Ca 0.66 1.17 0.21 0.00 0.48 0.00 0.00 55.95 58.47 2qky s SER 158 Cb -0.21 -1.83 0.74 0.00 0.10 0.00 0.00 66.02 64.82 2qky s SER 158 CO 0.53 -3.04 1.75 1.55 0.98 0.00 0.00 173.24 175.02 2qky h PRO 159 N -1.83 0.00 -4.45 4.02 0.13 -1.85 -3.45 132.00 124.57 2qky h PRO 159 Ca -0.54 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.31 2qky h PRO 159 Cb 1.33 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.23 2qky h PRO 159 CO 0.58 0.30 -0.74 0.08 -0.23 0.00 0.00 178.00 177.99 2qky s VAL 160 N -3.55 0.47 0.00 1.56 1.01 -1.26 -4.78 120.40 113.85 2qky s VAL 160 Ca 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2qky s VAL 160 Cb 0.10 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.97 2qky s VAL 160 CO 0.66 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.11 2qky n GLY 161 N 1.86 1.71 0.22 4.51 0.00 -1.26 -4.31 105.19 107.92 2qky n GLY 161 Ca -0.20 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 4.73 0.00 -2.00 1.61 1.44 -1.26 -2.20 115.22 117.54 2qky n HIS 162 Ca 0.00 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.33 2qky n HIS 162 Cb 0.00 0.10 0.02 0.00 0.12 0.00 0.00 29.99 30.23 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 0.00 3.37 -0.10 -1.40 1.02 -1.26 -4.69 119.74 116.68 2qky s LYS 163 Ca 0.00 2.00 0.04 0.00 0.02 0.00 0.00 55.97 58.03 2qky s LYS 163 Cb 0.00 -2.28 -0.00 0.00 -0.52 0.00 0.00 37.83 35.03 2qky s LYS 163 CO 0.00 -0.93 -0.23 -0.51 -0.92 0.00 0.00 175.35 172.76 2qky s LEU 164 N -3.38 2.18 -0.19 3.17 1.43 0.17 -0.34 118.68 121.71 2qky s LEU 164 Ca 0.69 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2qky s LEU 164 Cb -0.34 -1.43 0.05 0.00 0.03 0.00 0.00 46.19 44.49 2qky s LEU 164 CO 0.41 0.17 -0.05 0.00 0.23 0.00 0.00 176.35 177.11 2qky s ALA 165 N 0.27 1.60 0.14 4.21 0.00 -0.53 -0.72 121.76 126.73 2qky s ALA 165 Ca -0.16 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.83 2qky s ALA 165 Cb -0.17 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 2qky s ALA 165 CO 0.08 -0.93 -0.02 1.52 0.00 0.00 0.00 175.76 176.41 2qky s TYR 166 N 1.58 1.04 -0.05 0.00 1.13 -1.17 0.15 117.35 120.04 2qky s TYR 166 Ca -0.01 -1.01 0.05 0.00 -1.41 0.00 0.00 57.07 54.69 2qky s TYR 166 Cb -0.16 -0.60 -0.02 0.00 -1.10 0.00 0.00 41.96 40.08 2qky s TYR 166 CO -0.07 -0.23 -0.19 0.08 -2.51 0.00 0.00 175.55 172.63 2qky s VAL 167 N -3.70 2.63 -0.08 -3.49 1.01 0.12 -1.91 120.40 114.99 2qky s VAL 167 Ca 0.19 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 2qky s VAL 167 Cb 0.06 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.49 2qky s VAL 167 CO 0.00 0.58 0.17 0.86 0.00 0.00 0.00 175.10 176.71 2qky s TRP 168 N -0.56 -0.20 -1.89 5.22 -0.00 -0.54 -1.28 118.94 119.69 2qky s TRP 168 Ca 0.08 0.58 0.00 0.00 -0.00 0.00 0.00 56.10 56.76 2qky s TRP 168 Cb -0.11 -0.13 0.00 0.00 -0.00 0.00 0.00 33.47 33.23 2qky s TRP 168 CO 0.01 -0.22 0.00 0.09 -0.00 0.00 0.00 176.95 176.83 2qky n ASN 169 N 4.66 -5.74 -0.36 5.86 5.03 -1.26 -2.32 115.26 121.13 2qky n ASN 169 Ca -0.18 0.14 -0.03 0.00 0.87 0.00 0.00 54.58 55.37 2qky n ASN 169 Cb 0.51 -4.86 -0.01 0.00 -1.02 0.00 0.00 39.78 34.41 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 -1.82 -2.30 -4.28 6.41 4.13 -1.26 -4.28 115.26 111.85 2qky n ASN 170 Ca -0.23 0.02 -0.15 0.00 1.68 0.00 0.00 54.58 55.90 2qky n ASN 170 Cb 0.68 -1.23 -0.10 0.00 -1.54 0.00 0.00 39.78 37.59 2qky n ASN 170 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2qky s ASP 171 N -2.88 1.85 -0.12 6.41 1.11 -0.98 -1.94 116.67 120.11 2qky s ASP 171 Ca 0.00 -1.08 -0.04 0.00 0.18 0.00 0.00 52.55 51.62 2qky s ASP 171 Cb 0.00 -0.01 -0.03 0.00 1.07 0.00 0.00 42.92 43.94 2qky s ASP 171 CO 0.00 -0.38 0.02 -0.63 1.18 0.00 0.00 175.17 175.37 2qky s ILE 172 N -3.34 4.49 -0.01 0.77 1.01 -1.26 -1.47 121.20 121.39 2qky s ILE 172 Ca 0.21 -0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.74 2qky s ILE 172 Cb 0.03 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 2qky s ILE 172 CO 0.03 0.56 -0.16 -0.31 0.00 0.00 0.00 174.94 175.07 2qky s TYR 173 N -0.45 1.42 -0.05 3.97 1.51 -0.80 0.69 117.35 123.64 2qky s TYR 173 Ca 0.09 -0.28 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 2qky s TYR 173 Cb -0.12 -0.92 -0.03 0.00 -0.11 0.00 0.00 41.96 40.78 2qky s TYR 173 CO 0.02 -0.04 -0.14 0.08 -1.11 0.00 0.00 175.55 174.36 2qky s VAL 174 N -0.32 3.09 -0.22 0.71 1.01 0.01 -3.02 120.40 121.65 2qky s VAL 174 Ca 0.05 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 2qky s VAL 174 Cb -0.07 -2.21 0.08 0.00 0.00 0.00 0.00 36.38 34.18 2qky s VAL 174 CO -0.00 0.58 0.09 -0.75 0.00 0.00 0.00 175.10 175.02 2qky s LYS 175 N -0.77 0.26 0.40 2.72 2.20 0.10 -1.11 119.74 123.55 2qky s LYS 175 Ca 0.12 -0.37 0.25 0.00 -0.36 0.00 0.00 55.97 55.61 2qky s LYS 175 Cb -0.11 -1.68 0.61 0.00 -1.51 0.00 0.00 37.83 35.14 2qky s LYS 175 CO 0.01 -0.80 1.70 0.82 -0.36 0.00 0.00 175.35 176.71 2qky h ILE 176 N 6.44 0.00 -3.00 5.43 2.04 -1.88 0.48 117.51 127.02 2qky h ILE 176 Ca -0.17 -0.79 -0.30 0.00 1.00 0.00 0.00 64.86 64.60 2qky h ILE 176 Cb 1.09 1.78 -0.36 0.00 -0.74 0.00 0.00 36.82 38.59 2qky h ILE 176 CO 0.36 0.00 -0.63 -1.61 0.00 0.00 0.00 178.15 176.27 2qky s GLU 177 N -3.25 0.06 0.00 2.37 8.01 -1.26 -4.47 118.70 120.16 2qky s GLU 177 Ca 0.07 0.49 0.00 0.00 0.01 0.00 0.00 54.97 55.54 2qky s GLU 177 Cb 0.07 -0.46 0.00 0.00 -4.31 0.00 0.00 34.13 29.43 2qky s GLU 177 CO 0.62 -0.37 0.14 -0.35 0.01 0.00 0.00 175.26 175.32 2qky n PRO 178 N 5.32 0.00 -0.01 0.39 -0.04 -1.26 -3.47 135.00 135.94 2qky n PRO 178 Ca -0.05 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.49 2qky n PRO 178 Cb 0.50 -1.23 -0.12 0.00 -0.04 0.00 0.00 33.50 32.61 2qky n PRO 178 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2qky n ASN 179 N -0.54 1.01 -4.92 3.54 3.02 -1.26 -4.79 115.26 111.31 2qky n ASN 179 Ca 0.00 -0.30 -0.24 0.00 -0.03 0.00 0.00 54.58 54.00 2qky n ASN 179 Cb 0.00 1.51 0.00 0.00 -0.61 0.00 0.00 39.78 40.68 2qky n ASN 179 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 2qky s LEU 180 N -3.70 2.86 0.00 3.41 2.34 -1.23 -3.92 118.68 118.44 2qky s LEU 180 Ca -0.02 -1.11 -0.18 0.00 0.06 0.00 0.00 54.13 52.88 2qky s LEU 180 Cb 0.11 -1.37 0.28 0.00 -0.56 0.00 0.00 46.19 44.65 2qky s LEU 180 CO 0.69 -1.09 0.64 -0.81 -1.06 0.00 0.00 176.35 174.72 2qky n PRO 181 N -1.82 -3.61 -4.37 1.48 -0.04 -1.26 -4.75 135.00 120.62 2qky n PRO 181 Ca 0.02 -1.07 -0.26 0.00 -0.04 0.00 0.00 63.50 62.15 2qky n PRO 181 Cb 0.63 -1.51 -0.09 0.00 -0.04 0.00 0.00 33.50 32.50 2qky n PRO 181 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2qky s SER 182 N -2.67 4.15 -0.40 3.54 0.01 -1.26 -4.94 113.70 112.14 2qky s SER 182 Ca 0.49 -1.19 -0.15 0.00 1.31 0.00 0.00 55.95 56.41 2qky s SER 182 Cb -0.09 -0.45 0.01 0.00 0.21 0.00 0.00 66.02 65.71 2qky s SER 182 CO 0.41 -0.46 0.32 -0.31 0.41 0.00 0.00 173.24 173.61 2qky s TYR 183 N -2.64 3.22 -0.16 2.43 2.02 -0.27 -4.92 117.35 117.03 2qky s TYR 183 Ca 0.38 -0.46 -0.29 0.00 -0.37 0.00 0.00 57.07 56.32 2qky s TYR 183 Cb 0.06 -2.64 -0.04 0.00 -0.40 0.00 0.00 41.96 38.94 2qky s TYR 183 CO 0.20 -0.57 1.74 1.03 -1.57 0.00 0.00 175.55 176.38 2qky s ARG 184 N 1.80 3.81 -0.15 -0.62 1.81 -1.26 -0.81 118.95 123.52 2qky s ARG 184 Ca 0.07 1.90 -0.19 0.00 -1.72 0.00 0.00 55.73 55.78 2qky s ARG 184 Cb -0.18 -4.09 -0.24 0.00 -0.45 0.00 0.00 34.95 30.00 2qky s ARG 184 CO 0.11 -1.29 0.43 0.82 -0.68 0.00 0.00 175.30 174.68 2qky h ILE 185 N 6.13 1.06 -3.76 1.52 1.08 -0.10 -3.45 117.51 119.98 2qky h ILE 185 Ca -0.37 -2.29 -0.68 0.00 -0.39 0.00 0.00 64.86 61.12 2qky h ILE 185 Cb 1.18 2.59 -0.19 0.00 -3.07 0.00 0.00 36.82 37.32 2qky h ILE 185 CO 0.98 0.54 -0.81 0.42 -0.69 0.00 0.00 178.15 178.59 2qky s THR 186 N -2.40 2.75 -0.01 -0.27 -4.23 -1.08 -4.95 115.64 105.46 2qky s THR 186 Ca -0.24 -1.54 0.01 0.00 -1.18 0.00 0.00 61.69 58.75 2qky s THR 186 Cb 0.04 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.62 2qky s THR 186 CO 0.68 0.10 0.00 0.79 -0.54 0.00 0.00 174.62 175.66 2qky n TRP 187 N 0.83 0.00 0.00 3.99 8.01 -1.26 -4.54 117.44 124.48 2qky n TRP 187 Ca -0.16 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.03 2qky n TRP 187 Cb 0.53 -0.04 0.00 0.00 -2.01 0.00 0.00 31.31 29.79 2qky n TRP 187 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 2qky n THR 188 N -1.99 0.00 -1.67 -0.99 -2.24 -1.26 -4.82 114.28 101.31 2qky n THR 188 Ca -0.01 0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.29 2qky n THR 188 Cb 0.49 -0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 67.75 2qky n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qky n GLY 189 N -0.91 1.26 2.89 3.38 0.00 -1.26 -4.70 105.19 105.85 2qky n GLY 189 Ca 0.00 0.75 -0.14 0.00 0.00 0.00 0.00 46.02 46.63 2qky n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qky s LYS 190 N 2.35 0.06 -0.40 1.61 2.20 -1.17 -4.95 119.74 119.45 2qky s LYS 190 Ca 0.85 0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 56.49 2qky s LYS 190 Cb -0.70 -0.19 -0.09 0.00 -1.51 0.00 0.00 37.83 35.34 2qky s LYS 190 CO 0.45 -0.16 2.31 0.39 -0.36 0.00 0.00 175.35 177.97 2qky n GLU 191 N 4.17 1.27 -1.08 4.03 1.02 -1.26 -1.28 120.64 127.51 2qky n GLU 191 Ca -0.27 0.26 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 2qky n GLU 191 Cb 0.51 -2.94 -0.01 0.00 -0.02 0.00 0.00 31.44 28.98 2qky n GLU 191 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2qky n ASP 192 N 12.35 -3.53 0.03 1.62 8.00 -1.26 -4.87 116.55 128.90 2qky n ASP 192 Ca 0.38 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.95 2qky n ASP 192 Cb 0.38 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 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 -2.85 0.36 -3.76 0.53 2.08 -0.40 -4.67 119.36 110.63 2qky n ILE 193 Ca -0.03 0.12 -0.36 0.00 0.56 0.00 0.00 62.75 63.04 2qky n ILE 193 Cb 0.12 -0.92 -0.13 0.00 -0.75 0.00 0.00 39.64 37.97 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 -1.42 4.24 -0.41 1.39 -1.09 -0.63 0.12 121.20 123.39 2qky s ILE 194 Ca 0.00 -0.22 -0.07 0.00 -2.23 0.00 0.00 60.65 58.14 2qky s ILE 194 Cb 0.00 -2.99 0.09 0.00 -1.58 0.00 0.00 42.46 37.98 2qky s ILE 194 CO 0.00 0.33 0.22 -0.31 -1.23 0.00 0.00 174.94 173.96 2qky s TYR 195 N 1.60 3.41 -0.34 3.97 1.51 0.54 -3.02 117.35 125.03 2qky s TYR 195 Ca 0.06 -1.86 -0.11 0.00 -1.01 0.00 0.00 57.07 54.16 2qky s TYR 195 Cb -0.15 -3.00 0.00 0.00 -0.11 0.00 0.00 41.96 38.70 2qky s TYR 195 CO 0.03 -0.90 0.19 -0.80 -1.11 0.00 0.00 175.55 172.96 2qky s ASN 196 N 2.01 5.71 0.00 2.29 0.01 -0.82 -0.15 114.94 123.99 2qky s ASN 196 Ca 0.04 -0.65 0.00 0.00 -0.71 0.00 0.00 52.86 51.54 2qky s ASN 196 Cb -0.23 -2.04 0.00 0.00 0.41 0.00 0.00 41.25 39.39 2qky s ASN 196 CO -0.00 -0.27 0.00 0.61 -1.51 0.00 0.00 177.10 175.93 2qky n GLY 197 N 5.02 1.38 3.07 0.66 0.00 -0.71 -3.77 105.19 110.83 2qky n GLY 197 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.68 0.32 0.51 -0.61 -4.36 -1.26 -1.77 121.20 111.34 2qky s ILE 198 Ca 0.00 -1.45 -0.07 0.00 -0.26 0.00 0.00 60.65 58.87 2qky s ILE 198 Cb 0.00 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.64 2qky s ILE 198 CO 0.00 -0.74 0.84 0.42 0.24 0.00 0.00 174.94 175.71 2qky s THR 199 N -2.75 4.85 0.00 8.37 -4.23 -0.69 -4.59 115.64 116.61 2qky s THR 199 Ca -0.02 0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 2qky s THR 199 Cb -0.01 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.98 2qky s THR 199 CO -0.05 -0.89 0.00 -0.90 -0.54 0.00 0.00 174.62 172.24 2qky n ASP 200 N -2.30 0.00 0.02 3.99 5.75 -1.26 -4.83 116.55 117.93 2qky n ASP 200 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.68 2qky n ASP 200 Cb 0.55 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.55 2qky n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 2qky h TRP 201 N 0.00 -0.11 -0.16 2.11 7.01 -2.00 -3.13 115.95 119.67 2qky h TRP 201 Ca 0.00 -0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 2qky h TRP 201 Cb 0.00 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 2qky h TRP 201 CO 0.00 0.39 -0.24 -0.24 -2.79 0.00 0.00 178.44 175.57 2qky h VAL 202 N -0.72 1.24 0.00 2.65 3.04 -1.95 -2.66 116.25 117.85 2qky h VAL 202 Ca -0.01 -1.11 -0.13 0.00 -1.01 0.00 0.00 66.70 64.43 2qky h VAL 202 Cb 0.56 1.38 -0.02 0.00 -2.01 0.00 0.00 31.29 31.20 2qky h VAL 202 CO 0.02 0.34 -0.62 1.88 -1.01 0.00 0.00 177.57 178.18 2qky h TYR 203 N 0.26 0.00 -0.03 3.17 -1.99 -1.94 -1.37 116.97 115.07 2qky h TYR 203 Ca 0.04 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.65 2qky h TYR 203 Cb 0.57 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.31 2qky h TYR 203 CO 0.01 0.62 -0.46 1.49 -0.00 0.00 0.00 178.16 179.82 2qky h GLU 204 N 0.00 0.37 0.16 4.88 4.81 -1.46 0.45 114.58 123.79 2qky h GLU 204 Ca -0.01 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 2qky h GLU 204 Cb 1.28 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.76 2qky h GLU 204 CO 0.08 1.02 -0.08 1.49 -0.73 0.00 0.00 179.01 180.79 2qky h GLU 205 N -0.15 -0.21 0.06 1.92 4.57 -1.54 -2.15 114.58 117.09 2qky h GLU 205 Ca -0.05 0.01 -0.22 0.00 -1.18 0.00 0.00 59.36 57.93 2qky h GLU 205 Cb 1.15 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 2qky h GLU 205 CO 0.09 -0.14 -1.14 0.93 -1.18 0.00 0.00 179.01 177.57 2qky h GLU 206 N -1.01 0.13 0.00 1.92 4.39 -1.44 -3.38 114.58 115.19 2qky h GLU 206 Ca -0.02 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2qky h GLU 206 Cb 0.17 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2qky h GLU 206 CO 0.04 1.11 0.00 0.28 -1.16 0.00 0.00 179.01 179.27 2qky n VAL 207 N -4.18 0.00 -0.09 3.13 0.31 -1.17 -4.64 118.33 111.70 2qky n VAL 207 Ca -0.25 0.15 -0.13 0.00 -0.01 0.00 0.00 64.34 64.10 2qky n VAL 207 Cb 0.77 -0.44 -0.04 0.00 -0.91 0.00 0.00 33.84 33.21 2qky n VAL 207 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2qky h PHE 208 N 0.00 0.80 -0.01 3.52 0.04 -0.35 -3.48 116.94 117.46 2qky h PHE 208 Ca 0.00 -0.24 -0.00 0.00 2.80 0.00 0.00 57.97 60.53 2qky h PHE 208 Cb 0.00 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 37.98 2qky h PHE 208 CO 0.00 0.97 -0.00 0.45 -0.60 0.00 0.00 178.31 179.13 2qky n SER 209 N -4.30 -1.39 -3.60 2.17 2.88 -0.86 -5.03 113.62 103.49 2qky n SER 209 Ca -0.04 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.39 2qky n SER 209 Cb 0.46 -0.52 -0.06 0.00 -0.75 0.00 0.00 64.21 63.33 2qky n SER 209 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qky s ALA 210 N -2.00 -1.91 0.06 -1.46 0.00 -0.89 -4.96 121.76 110.59 2qky s ALA 210 Ca 0.00 1.69 -0.30 0.00 0.00 0.00 0.00 51.96 53.36 2qky s ALA 210 Cb 0.00 -0.93 -0.18 0.00 0.00 0.00 0.00 23.12 22.02 2qky s ALA 210 CO 0.00 -0.29 1.57 -0.92 0.00 0.00 0.00 175.76 176.12 2qky h TYR 211 N 3.42 -0.63 -1.95 0.00 3.20 -1.85 -3.42 116.97 115.75 2qky h TYR 211 Ca -0.24 -0.01 -0.64 0.00 3.14 0.00 0.00 58.73 60.97 2qky h TYR 211 Cb 1.16 0.21 0.06 0.00 1.54 0.00 0.00 36.73 39.70 2qky h TYR 211 CO 0.32 -0.36 0.53 0.45 -1.64 0.00 0.00 178.16 177.46 2qky n SER 212 N -5.36 2.06 -0.58 -2.11 2.88 -1.26 -1.70 113.62 107.55 2qky n SER 212 Ca -0.12 1.11 0.06 0.00 -1.33 0.00 0.00 58.87 58.60 2qky n SER 212 Cb 0.29 -1.27 0.17 0.00 -0.75 0.00 0.00 64.21 62.66 2qky n SER 212 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qky n ALA 213 N 2.56 3.23 -2.39 -1.46 0.00 -0.73 -4.75 120.51 116.97 2qky n ALA 213 Ca 0.17 -3.03 -0.20 0.00 0.00 0.00 0.00 53.44 50.38 2qky n ALA 213 Cb 0.23 -0.40 -0.10 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 -2.78 2.53 -0.21 0.00 2.34 -1.25 -2.26 118.68 117.06 2qky s LEU 214 Ca 0.35 -0.98 -0.04 0.00 0.06 0.00 0.00 54.13 53.52 2qky s LEU 214 Cb 0.34 -0.78 0.10 0.00 -0.56 0.00 0.00 46.19 45.29 2qky s LEU 214 CO -0.06 -0.10 0.24 0.26 -1.06 0.00 0.00 176.35 175.63 2qky s TRP 215 N -2.68 -0.35 0.66 3.48 0.51 0.11 -4.96 118.94 115.73 2qky s TRP 215 Ca 0.22 0.31 -0.15 0.00 -2.12 0.00 0.00 56.10 54.36 2qky s TRP 215 Cb -0.03 -0.31 0.00 0.00 -0.81 0.00 0.00 33.47 32.33 2qky s TRP 215 CO 0.08 -0.61 1.12 -1.58 -0.51 0.00 0.00 176.95 175.44 2qky s TRP 216 N 2.36 2.59 0.68 -1.98 0.52 -1.26 -1.65 118.94 120.19 2qky s TRP 216 Ca 0.08 1.55 -0.11 0.00 0.02 0.00 0.00 56.10 57.64 2qky s TRP 216 Cb -0.16 -3.19 0.00 0.00 -1.15 0.00 0.00 33.47 28.98 2qky s TRP 216 CO -0.12 -1.74 1.06 0.45 0.02 0.00 0.00 176.95 176.61 2qky s SER 217 N -2.55 5.52 0.20 2.95 0.15 0.21 -4.88 113.70 115.30 2qky s SER 217 Ca 0.67 1.56 -0.12 0.00 0.70 0.00 0.00 55.95 58.76 2qky s SER 217 Cb -0.21 -2.47 0.25 0.00 -1.71 0.00 0.00 66.02 61.89 2qky s SER 217 CO 0.42 -1.34 1.68 -0.65 1.20 0.00 0.00 173.24 174.54 2qky h PRO 218 N -0.65 0.14 -0.62 5.44 0.11 -1.89 0.19 132.00 134.72 2qky h PRO 218 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qky h PRO 218 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2qky h PRO 218 CO 0.58 0.09 0.00 0.27 -0.21 0.00 0.00 178.00 178.73 2qky n ASN 219 N -5.23 3.65 0.00 -2.05 0.23 -1.26 -4.49 115.26 106.11 2qky n ASN 219 Ca 0.08 -2.34 0.00 0.00 -0.53 0.00 0.00 54.58 51.78 2qky n ASN 219 Cb 0.31 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 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 0.88 0.31 0.15 4.83 0.00 0.68 -4.80 105.19 107.24 2qky n GLY 220 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 0.70 -2.97 2.61 2.02 -1.91 -3.43 112.91 109.93 2qky h THR 221 Ca 0.00 0.00 -0.61 0.00 0.77 0.00 0.00 66.41 66.57 2qky h THR 221 Cb 0.02 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 2qky h THR 221 CO 0.00 0.00 -0.45 -0.36 0.37 0.00 0.00 175.52 175.08 2qky s PHE 222 N -6.17 3.51 -0.12 3.16 0.08 -1.26 -1.78 117.98 115.40 2qky s PHE 222 Ca -0.14 0.33 -0.02 0.00 0.12 0.00 0.00 56.93 57.22 2qky s PHE 222 Cb 0.10 -1.82 0.04 0.00 -0.57 0.00 0.00 43.02 40.77 2qky s PHE 222 CO 0.68 0.56 0.01 -1.17 -0.10 0.00 0.00 175.22 175.19 2qky s LEU 223 N -2.51 0.84 0.21 -0.37 2.96 -0.88 0.64 118.68 119.57 2qky s LEU 223 Ca 0.36 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 53.98 2qky s LEU 223 Cb -0.13 -0.52 -0.04 0.00 0.50 0.00 0.00 46.19 46.00 2qky s LEU 223 CO 0.27 -0.23 0.11 0.00 -1.32 0.00 0.00 176.35 175.18 2qky s ALA 224 N 1.91 3.45 0.31 5.97 0.00 -0.66 -1.14 121.76 131.60 2qky s ALA 224 Ca 0.03 -1.38 -0.09 0.00 0.00 0.00 0.00 51.96 50.51 2qky s ALA 224 Cb -0.14 -1.19 0.04 0.00 0.00 0.00 0.00 23.12 21.83 2qky s ALA 224 CO -0.06 0.37 0.57 2.48 0.00 0.00 0.00 175.76 179.12 2qky n TYR 225 N -0.70 -1.90 -4.27 0.00 4.11 0.01 0.10 117.16 114.51 2qky n TYR 225 Ca -0.08 -1.56 -0.15 0.00 -0.00 0.00 0.00 57.90 56.11 2qky n TYR 225 Cb 0.57 0.67 -0.10 0.00 -0.00 0.00 0.00 39.34 40.47 2qky n TYR 225 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2qky s ALA 226 N -2.00 1.50 -0.11 -3.48 0.00 -0.96 -1.24 121.76 115.47 2qky s ALA 226 Ca 0.15 -1.66 -0.03 0.00 0.00 0.00 0.00 51.96 50.43 2qky s ALA 226 Cb -0.03 0.57 0.04 0.00 0.00 0.00 0.00 23.12 23.70 2qky s ALA 226 CO 0.11 -0.31 0.05 -1.14 0.00 0.00 0.00 175.76 174.47 2qky s GLN 227 N -3.91 0.29 -0.21 0.00 0.74 -0.44 -1.74 119.66 114.39 2qky s GLN 227 Ca 0.26 0.03 -0.12 0.00 0.05 0.00 0.00 55.36 55.58 2qky s GLN 227 Cb 0.06 -1.30 -0.05 0.00 1.10 0.00 0.00 33.01 32.83 2qky s GLN 227 CO 0.06 -0.47 0.23 -0.06 -0.55 0.00 0.00 175.29 174.50 2qky s PHE 228 N 2.05 3.38 -0.54 1.67 0.08 0.79 -2.82 117.98 122.59 2qky s PHE 228 Ca 0.03 0.41 -0.16 0.00 0.12 0.00 0.00 56.93 57.33 2qky s PHE 228 Cb -0.14 -2.32 0.13 0.00 -0.57 0.00 0.00 43.02 40.12 2qky s PHE 228 CO -0.06 0.13 0.49 1.21 -0.10 0.00 0.00 175.22 176.89 2qky s ASN 229 N 0.79 6.19 -0.30 1.36 3.84 -0.56 -0.34 114.94 125.92 2qky s ASN 229 Ca 0.12 -1.76 0.07 0.00 0.21 0.00 0.00 52.86 51.51 2qky s ASN 229 Cb -0.13 -2.21 0.62 0.00 -0.55 0.00 0.00 41.25 38.98 2qky s ASN 229 CO 0.04 -0.85 1.67 0.47 -2.79 0.00 0.00 177.10 175.64 2qky n ASP 230 N 5.25 4.24 -0.06 -4.21 9.92 0.32 -3.10 116.55 128.92 2qky n ASP 230 Ca -0.14 -3.10 -0.02 0.00 -0.53 0.00 0.00 54.79 51.00 2qky n ASP 230 Cb 0.40 -0.73 -0.02 0.00 -0.64 0.00 0.00 41.12 40.13 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 1.96 0.00 -0.29 -3.53 2.02 -1.84 -2.01 112.91 109.21 2qky h THR 231 Ca 0.30 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.48 2qky h THR 231 Cb 2.21 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2qky h THR 231 CO 0.70 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.97 2qky n GLU 232 N -3.35 2.00 -2.40 6.66 1.02 -1.26 -4.88 120.64 118.43 2qky n GLU 232 Ca -0.00 -1.18 -0.41 0.00 -0.02 0.00 0.00 57.16 55.55 2qky n GLU 232 Cb 0.06 -1.42 -0.04 0.00 -0.02 0.00 0.00 31.44 30.02 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 -1.63 3.53 0.69 2.62 1.01 -0.76 -4.80 120.40 121.06 2qky s VAL 233 Ca 0.21 1.36 -0.11 0.00 0.00 0.00 0.00 61.98 63.44 2qky s VAL 233 Cb 0.13 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2qky s VAL 233 CO 0.12 0.25 1.06 -2.16 0.00 0.00 0.00 175.10 174.37 2qky s PRO 234 N -0.65 2.99 -0.02 2.72 0.04 -1.26 -4.81 135.00 134.01 2qky s PRO 234 Ca 0.50 0.80 0.03 0.00 0.04 0.00 0.00 61.00 62.37 2qky s PRO 234 Cb -0.33 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 2qky s PRO 234 CO 0.38 -1.02 -0.09 -0.51 0.04 0.00 0.00 177.00 175.80 2qky s LEU 235 N -5.46 3.02 -0.19 -3.56 1.43 -1.26 -0.64 118.68 112.02 2qky s LEU 235 Ca 0.58 -0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 53.37 2qky s LEU 235 Cb -0.13 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2qky s LEU 235 CO 0.54 0.32 0.41 -0.51 0.23 0.00 0.00 176.35 177.34 2qky s ILE 236 N -0.88 5.19 -0.25 -0.59 1.10 0.15 -4.89 121.20 121.03 2qky s ILE 236 Ca 0.14 0.75 -0.00 0.00 -0.51 0.00 0.00 60.65 61.03 2qky s ILE 236 Cb -0.11 -3.74 0.04 0.00 0.15 0.00 0.00 42.46 38.79 2qky s ILE 236 CO 0.04 0.25 -0.08 -1.61 -2.11 0.00 0.00 174.94 171.43 2qky s GLU 237 N 1.26 2.64 0.35 3.50 2.02 -1.26 -2.51 118.70 124.70 2qky s GLU 237 Ca 0.20 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 54.10 2qky s GLU 237 Cb -0.15 -2.94 -0.00 0.00 0.10 0.00 0.00 34.13 31.14 2qky s GLU 237 CO 0.08 -0.45 0.02 2.48 0.02 0.00 0.00 175.26 177.41 2qky n TYR 238 N 4.60 0.69 -4.88 1.61 4.11 -0.72 -4.96 117.16 117.61 2qky n TYR 238 Ca -0.16 -1.81 -0.33 0.00 -0.00 0.00 0.00 57.90 55.61 2qky n TYR 238 Cb 0.46 -0.19 -0.14 0.00 -0.00 0.00 0.00 39.34 39.47 2qky n TYR 238 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 2qky s SER 239 N -2.96 3.96 -0.17 9.48 0.01 -1.26 -0.97 113.70 121.80 2qky s SER 239 Ca 0.03 -0.25 -0.02 0.00 1.31 0.00 0.00 55.95 57.02 2qky s SER 239 Cb 0.00 -1.07 -0.01 0.00 0.21 0.00 0.00 66.02 65.15 2qky s SER 239 CO 0.02 0.29 -0.09 0.12 0.41 0.00 0.00 173.24 173.98 2qky s PHE 240 N -0.38 2.88 -0.16 2.43 5.36 0.30 -4.75 117.98 123.66 2qky s PHE 240 Ca 0.04 -0.79 -0.25 0.00 -0.96 0.00 0.00 56.93 54.97 2qky s PHE 240 Cb -0.12 -1.95 -0.22 0.00 -0.34 0.00 0.00 43.02 40.38 2qky s PHE 240 CO 0.02 -0.36 0.52 1.88 -1.46 0.00 0.00 175.22 175.83 2qky h TYR 241 N 7.30 0.00 0.00 10.12 -1.99 -1.96 0.21 116.97 130.65 2qky h TYR 241 Ca -0.33 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.40 2qky h TYR 241 Cb 1.19 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.92 2qky h TYR 241 CO 0.53 1.11 0.00 0.45 -0.00 0.00 0.00 178.16 180.26 2qky n SER 242 N -4.55 0.00 -4.48 3.88 2.88 -1.26 -4.63 113.62 105.46 2qky n SER 242 Ca -0.17 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 56.98 2qky n SER 242 Cb 0.53 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.02 2qky n SER 242 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2qky n ASP 243 N -1.03 -0.88 0.33 -3.46 8.00 -1.26 -4.76 116.55 113.50 2qky n ASP 243 Ca 0.00 0.76 0.22 0.00 0.71 0.00 0.00 54.79 56.47 2qky n ASP 243 Cb 0.00 -1.19 1.18 0.00 -0.02 0.00 0.00 41.12 41.09 2qky n ASP 243 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2qky h GLU 244 N 0.31 0.00 0.00 -1.24 4.11 -2.04 -0.02 114.58 115.70 2qky h GLU 244 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2qky h GLU 244 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2qky h GLU 244 CO 0.48 0.00 0.01 -1.13 0.07 0.00 0.00 179.01 178.44 2qky n SER 245 N -3.19 0.00 -4.46 3.06 3.41 -1.26 -4.35 113.62 106.83 2qky n SER 245 Ca -0.03 0.15 -0.41 0.00 -0.26 0.00 0.00 58.87 58.33 2qky n SER 245 Cb 0.08 -0.15 -0.11 0.00 -0.26 0.00 0.00 64.21 63.76 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 -2.27 4.66 0.06 1.04 2.96 -0.02 -5.00 118.68 120.12 2qky s LEU 246 Ca 0.00 -0.71 -0.36 0.00 -0.22 0.00 0.00 54.13 52.85 2qky s LEU 246 Cb 0.00 -2.09 -0.20 0.00 0.50 0.00 0.00 46.19 44.40 2qky s LEU 246 CO 0.00 -0.32 1.58 -0.61 -1.32 0.00 0.00 176.35 175.68 2qky h GLN 247 N 8.49 -1.13 -5.21 1.98 4.15 -1.89 -3.42 115.11 118.08 2qky h GLN 247 Ca -0.29 0.08 -0.61 0.00 0.77 0.00 0.00 58.65 58.60 2qky h GLN 247 Cb 1.13 0.26 -0.14 0.00 0.21 0.00 0.00 27.48 28.94 2qky h GLN 247 CO 0.67 -0.76 -0.52 0.71 -1.93 0.00 0.00 178.83 177.00 2qky s TYR 248 N -5.98 3.33 0.94 3.99 2.02 -1.26 -5.08 117.35 115.32 2qky s TYR 248 Ca -0.19 0.21 -0.12 0.00 -0.37 0.00 0.00 57.07 56.60 2qky s TYR 248 Cb 0.03 -2.18 0.06 0.00 -0.40 0.00 0.00 41.96 39.47 2qky s TYR 248 CO 0.60 0.17 0.56 -2.30 -1.57 0.00 0.00 175.55 173.02 2qky n PRO 249 N 3.80 -0.32 -4.18 -1.71 -0.02 -1.26 -5.00 135.00 126.30 2qky n PRO 249 Ca -0.16 -0.05 -0.32 0.00 -2.02 0.00 0.00 63.50 60.95 2qky n PRO 249 Cb 0.52 -1.97 -0.08 0.00 -0.02 0.00 0.00 33.50 31.96 2qky n PRO 249 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2qky s LYS 250 N -3.84 2.89 -0.44 -0.52 2.20 0.75 -4.94 119.74 115.84 2qky s LYS 250 Ca 0.59 -0.58 -0.07 0.00 -0.36 0.00 0.00 55.97 55.55 2qky s LYS 250 Cb -0.22 -2.74 0.11 0.00 -1.51 0.00 0.00 37.83 33.47 2qky s LYS 250 CO 0.65 0.62 0.28 0.99 -0.36 0.00 0.00 175.35 177.54 2qky s THR 251 N -1.17 3.86 0.33 3.43 2.01 -1.26 0.11 115.64 122.95 2qky s THR 251 Ca 0.22 -1.83 -0.29 0.00 0.31 0.00 0.00 61.69 60.11 2qky s THR 251 Cb -0.12 -3.55 -0.10 0.00 0.01 0.00 0.00 72.50 68.74 2qky s THR 251 CO 0.13 -0.70 1.34 -0.69 -0.69 0.00 0.00 174.62 174.01 2qky s VAL 252 N 1.29 2.64 -0.14 3.82 1.01 -0.14 -4.86 120.40 124.03 2qky s VAL 252 Ca 0.06 0.63 -0.04 0.00 0.00 0.00 0.00 61.98 62.63 2qky s VAL 252 Cb -0.24 -3.40 0.06 0.00 0.00 0.00 0.00 36.38 32.79 2qky s VAL 252 CO -0.02 0.15 0.11 -0.13 0.00 0.00 0.00 175.10 175.21 2qky s ARG 253 N -1.65 0.05 -0.01 2.72 0.52 -1.26 -1.75 118.95 117.57 2qky s ARG 253 Ca 0.51 0.13 0.04 0.00 -0.52 0.00 0.00 55.73 55.88 2qky s ARG 253 Cb -0.41 -1.30 -0.01 0.00 0.52 0.00 0.00 34.95 33.75 2qky s ARG 253 CO 0.53 -0.56 -0.13 0.54 0.02 0.00 0.00 175.30 175.70 2qky s VAL 254 N 2.19 1.02 -0.00 3.52 0.11 -1.04 -4.95 120.40 121.24 2qky s VAL 254 Ca 0.04 -0.54 -0.30 0.00 -2.93 0.00 0.00 61.98 58.24 2qky s VAL 254 Cb -0.15 -0.86 -0.06 0.00 -1.53 0.00 0.00 36.38 33.78 2qky s VAL 254 CO -0.08 0.29 1.56 -2.84 -3.33 0.00 0.00 175.10 170.70 2qky s PRO 255 N -0.21 4.22 -0.16 1.54 0.02 -1.26 -0.68 135.00 138.47 2qky s PRO 255 Ca 0.03 2.14 -0.06 0.00 0.02 0.00 0.00 61.00 63.14 2qky s PRO 255 Cb -0.06 -3.73 0.08 0.00 0.02 0.00 0.00 34.50 30.81 2qky s PRO 255 CO -0.00 -0.72 0.34 -0.47 -0.33 0.00 0.00 177.00 175.81 2qky s TYR 256 N 3.09 -0.61 -0.10 6.54 6.14 0.19 -4.40 117.35 128.20 2qky s TYR 256 Ca 0.70 1.24 -0.26 0.00 0.64 0.00 0.00 57.07 59.39 2qky s TYR 256 Cb -0.34 0.13 -0.02 0.00 0.42 0.00 0.00 41.96 42.14 2qky s TYR 256 CO 0.29 -0.42 0.84 -2.14 0.64 0.00 0.00 175.55 174.76 2qky s PRO 257 N 2.51 4.40 0.09 4.97 0.02 -1.26 -4.55 135.00 141.17 2qky s PRO 257 Ca -0.00 1.08 0.02 0.00 0.02 0.00 0.00 61.00 62.12 2qky s PRO 257 Cb -0.12 -3.51 -0.04 0.00 0.02 0.00 0.00 34.50 30.85 2qky s PRO 257 CO -0.11 -0.16 0.14 0.15 -0.33 0.00 0.00 177.00 176.69 2qky s LYS 258 N 1.53 3.08 -0.18 5.54 1.02 -1.26 0.47 119.74 129.94 2qky s LYS 258 Ca 0.41 -0.64 -0.16 0.00 0.02 0.00 0.00 55.97 55.61 2qky s LYS 258 Cb -0.18 -2.82 -0.07 0.00 -0.52 0.00 0.00 37.83 34.24 2qky s LYS 258 CO 0.17 0.56 0.73 0.00 -0.92 0.00 0.00 175.35 175.90 2qky n ALA 259 N 0.23 -0.03 -0.04 5.17 0.00 -0.29 0.47 120.51 126.01 2qky n ALA 259 Ca -0.07 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2qky n ALA 259 Cb 0.52 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.24 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 2.44 1.28 1.26 0.00 0.00 -1.26 -4.78 105.19 104.13 2qky n GLY 260 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.07 -0.77 -2.35 4.61 0.00 0.18 -4.95 120.51 116.16 2qky n ALA 261 Ca 0.00 -0.57 -0.43 0.00 0.00 0.00 0.00 53.44 52.44 2qky n ALA 261 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.86 3.86 0.81 0.00 1.01 -1.26 -4.92 120.40 118.03 2qky s VAL 262 Ca 0.25 0.84 -0.11 0.00 0.00 0.00 0.00 61.98 62.95 2qky s VAL 262 Cb -0.01 -4.26 0.08 0.00 0.00 0.00 0.00 36.38 32.19 2qky s VAL 262 CO 0.18 -0.86 1.09 0.20 0.00 0.00 0.00 175.10 175.71 2qky s ASN 263 N 4.17 4.30 0.10 3.32 0.01 -1.26 -4.55 114.94 121.03 2qky s ASN 263 Ca 0.59 1.48 -0.12 0.00 -0.71 0.00 0.00 52.86 54.10 2qky s ASN 263 Cb -0.13 -2.21 -0.06 0.00 0.41 0.00 0.00 41.25 39.26 2qky s ASN 263 CO 0.31 -2.11 0.46 -2.16 -1.51 0.00 0.00 177.10 172.08 2qky s PRO 264 N -5.04 3.86 0.46 -0.60 0.04 -1.26 -4.87 135.00 127.59 2qky s PRO 264 Ca 0.61 0.31 -0.14 0.00 0.04 0.00 0.00 61.00 61.82 2qky s PRO 264 Cb -0.16 -2.99 -0.07 0.00 0.04 0.00 0.00 34.50 31.32 2qky s PRO 264 CO 0.55 0.54 0.89 0.95 0.04 0.00 0.00 177.00 179.97 2qky s THR 265 N -1.40 4.63 0.12 1.26 -4.23 -1.18 -4.89 115.64 109.95 2qky s THR 265 Ca 0.34 0.98 0.06 0.00 -1.18 0.00 0.00 61.69 61.89 2qky s THR 265 Cb -0.15 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 2qky s THR 265 CO 0.18 -0.59 -0.14 0.54 -0.54 0.00 0.00 174.62 174.08 2qky s VAL 266 N -2.48 1.30 -0.13 2.29 0.11 -1.26 -1.50 120.40 118.72 2qky s VAL 266 Ca 0.56 -1.70 -0.07 0.00 -2.93 0.00 0.00 61.98 57.83 2qky s VAL 266 Cb -0.10 -1.51 0.05 0.00 -1.53 0.00 0.00 36.38 33.29 2qky s VAL 266 CO 0.30 -0.42 0.31 -0.54 -3.33 0.00 0.00 175.10 171.42 2qky s LYS 267 N -2.66 0.28 -0.20 1.54 1.02 -1.13 -4.99 119.74 113.60 2qky s LYS 267 Ca 0.08 0.64 -0.06 0.00 0.02 0.00 0.00 55.97 56.66 2qky s LYS 267 Cb -0.05 -0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.15 2qky s LYS 267 CO 0.03 -0.16 0.02 0.12 -0.92 0.00 0.00 175.35 174.44 2qky s PHE 268 N 1.35 3.09 0.24 3.18 5.36 -1.26 -1.32 117.98 128.63 2qky s PHE 268 Ca -0.09 -0.29 0.08 0.00 -0.96 0.00 0.00 56.93 55.67 2qky s PHE 268 Cb -0.10 -2.09 -0.05 0.00 -0.34 0.00 0.00 43.02 40.44 2qky s PHE 268 CO -0.10 -0.14 -0.13 -0.06 -1.46 0.00 0.00 175.22 173.34 2qky s PHE 269 N 0.87 1.87 -0.22 10.12 0.40 -0.37 -0.56 117.98 130.10 2qky s PHE 269 Ca 0.02 -0.57 -0.04 0.00 -0.60 0.00 0.00 56.93 55.73 2qky s PHE 269 Cb -0.14 -0.92 0.08 0.00 0.51 0.00 0.00 43.02 42.55 2qky s PHE 269 CO 0.02 0.39 0.15 0.08 0.70 0.00 0.00 175.22 176.56 2qky s VAL 270 N -2.92 -0.16 -0.10 -0.44 1.01 0.28 -0.81 120.40 117.26 2qky s VAL 270 Ca 0.26 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 2qky s VAL 270 Cb 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2qky s VAL 270 CO 0.10 -0.39 0.18 0.54 0.00 0.00 0.00 175.10 175.52 2qky s VAL 271 N 2.19 5.45 -0.39 2.92 0.11 -0.29 -2.62 120.40 127.77 2qky s VAL 271 Ca 0.05 0.25 -0.25 0.00 -2.93 0.00 0.00 61.98 59.10 2qky s VAL 271 Cb -0.16 -3.45 0.02 0.00 -1.53 0.00 0.00 36.38 31.26 2qky s VAL 271 CO -0.19 0.59 0.89 0.21 -3.33 0.00 0.00 175.10 173.27 2qky s ASN 272 N -1.12 6.61 0.43 3.54 3.04 -1.26 -2.07 114.94 124.10 2qky s ASN 272 Ca 0.17 0.41 0.23 0.00 0.04 0.00 0.00 52.86 53.71 2qky s ASN 272 Cb -0.13 -2.44 0.32 0.00 -1.54 0.00 0.00 41.25 37.46 2qky s ASN 272 CO 0.06 -0.88 1.58 0.71 -3.04 0.00 0.00 177.10 175.54 2qky h THR 273 N 5.87 0.01 -0.26 -5.21 1.35 -1.67 -3.23 112.91 109.76 2qky h THR 273 Ca -0.24 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 2qky h THR 273 Cb 1.08 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2qky h THR 273 CO 0.98 0.01 0.00 0.47 -0.25 0.00 0.00 175.52 176.72 2qky n ASP 274 N -3.08 1.64 -2.72 5.36 8.00 -1.25 -3.91 116.55 120.60 2qky n ASP 274 Ca 0.04 -2.05 -0.12 0.00 0.71 0.00 0.00 54.79 53.37 2qky n ASP 274 Cb 0.53 -0.24 0.02 0.00 -0.02 0.00 0.00 41.12 41.41 2qky n ASP 274 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2qky n SER 275 N 0.29 1.74 -0.10 -2.24 3.41 -1.22 -4.88 113.62 110.61 2qky n SER 275 Ca 0.09 -2.87 -0.20 0.00 -0.26 0.00 0.00 58.87 55.64 2qky n SER 275 Cb 0.28 -0.54 -0.07 0.00 -0.26 0.00 0.00 64.21 63.63 2qky n SER 275 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qky n LEU 276 N -0.06 1.68 0.00 1.04 4.77 -1.25 -4.31 117.00 118.87 2qky n LEU 276 Ca 0.14 0.29 0.04 0.00 -0.03 0.00 0.00 56.01 56.45 2qky n LEU 276 Cb 0.78 -0.68 0.21 0.00 -2.33 0.00 0.00 43.42 41.40 2qky n LEU 276 CO 0.27 0.23 0.55 -1.54 -1.33 0.00 0.00 177.39 175.57 2qky n SER 277 N -4.11 0.00 -0.01 -1.43 3.41 -1.26 -1.93 113.62 108.29 2qky n SER 277 Ca -0.35 -1.39 0.08 0.00 -0.26 0.00 0.00 58.87 56.94 2qky n SER 277 Cb 0.70 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.54 2qky n SER 277 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2qky n SER 278 N -0.64 1.20 -4.17 4.04 2.88 -1.26 -5.01 113.62 110.67 2qky n SER 278 Ca 0.05 -0.26 -0.27 0.00 -1.33 0.00 0.00 58.87 57.07 2qky n SER 278 Cb 0.02 1.50 -0.08 0.00 -0.75 0.00 0.00 64.21 64.91 2qky n SER 278 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2qky s VAL 279 N -2.89 0.64 0.00 2.46 -7.23 -0.81 -5.13 120.40 107.43 2qky s VAL 279 Ca -0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 2qky s VAL 279 Cb 0.10 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.75 2qky s VAL 279 CO 0.64 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 175.78 2qky n THR 280 N -0.97 0.00 -3.28 5.32 -2.24 -1.26 -4.85 114.28 106.99 2qky n THR 280 Ca -0.08 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.32 2qky n THR 280 Cb 0.65 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 2qky n THR 280 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2qky s ASN 281 N -1.00 6.86 0.28 3.42 0.01 -1.26 -4.94 114.94 118.31 2qky s ASN 281 Ca 0.00 1.02 -0.29 0.00 -0.71 0.00 0.00 52.86 52.88 2qky s ASN 281 Cb 0.00 -2.32 -0.10 0.00 0.41 0.00 0.00 41.25 39.24 2qky s ASN 281 CO 0.00 0.10 1.23 0.00 -1.51 0.00 0.00 177.10 176.92 2qky s ALA 282 N -0.04 3.47 -0.39 0.60 0.00 -1.26 -5.00 121.76 119.13 2qky s ALA 282 Ca 0.29 1.10 -0.19 0.00 0.00 0.00 0.00 51.96 53.15 2qky s ALA 282 Cb -0.17 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.53 2qky s ALA 282 CO 0.14 -0.45 0.55 0.99 0.00 0.00 0.00 175.76 177.00 2qky s THR 283 N -0.84 4.96 -0.08 0.00 2.01 -1.26 -5.05 115.64 115.38 2qky s THR 283 Ca 0.49 0.15 -0.24 0.00 0.31 0.00 0.00 61.69 62.40 2qky s THR 283 Cb -0.36 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.05 2qky s THR 283 CO 0.45 -0.39 0.76 -0.44 -0.69 0.00 0.00 174.62 174.31 2qky s SER 284 N 1.85 7.02 -0.11 3.53 0.01 -1.26 -4.54 113.70 120.20 2qky s SER 284 Ca 0.19 1.24 -0.18 0.00 1.31 0.00 0.00 55.95 58.51 2qky s SER 284 Cb -0.15 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 2qky s SER 284 CO 0.15 -0.19 0.46 -0.63 0.41 0.00 0.00 173.24 173.45 2qky s ILE 285 N 1.08 5.18 -0.19 1.44 -1.09 -1.08 -4.84 121.20 121.70 2qky s ILE 285 Ca 0.39 0.93 -0.08 0.00 -2.23 0.00 0.00 60.65 59.66 2qky s ILE 285 Cb -0.18 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 2qky s ILE 285 CO 0.18 0.35 0.09 -1.58 -1.23 0.00 0.00 174.94 172.75 2qky s GLN 286 N 0.47 4.03 -0.30 2.79 0.74 -1.26 0.99 119.66 127.12 2qky s GLN 286 Ca 0.25 -0.31 -0.10 0.00 0.05 0.00 0.00 55.36 55.26 2qky s GLN 286 Cb -0.15 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.64 2qky s GLN 286 CO 0.10 0.25 0.15 0.42 -0.55 0.00 0.00 175.29 175.66 2qky s ILE 287 N 0.47 4.72 0.69 -2.34 1.01 0.28 -4.98 121.20 121.05 2qky s ILE 287 Ca 0.05 -0.25 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 2qky s ILE 287 Cb -0.12 -3.34 0.02 0.00 0.01 0.00 0.00 42.46 39.02 2qky s ILE 287 CO 0.00 0.15 1.06 0.42 0.00 0.00 0.00 174.94 176.57 2qky s THR 288 N 1.65 3.42 0.25 2.92 -4.23 -1.26 -4.14 115.64 114.24 2qky s THR 288 Ca 0.05 0.34 -0.13 0.00 -1.18 0.00 0.00 61.69 60.78 2qky s THR 288 Cb -0.16 -3.44 -0.08 0.00 1.34 0.00 0.00 72.50 70.16 2qky s THR 288 CO 0.07 -0.55 0.62 0.00 -0.54 0.00 0.00 174.62 174.23 2qky s ALA 289 N -3.29 3.47 0.41 3.99 0.00 -1.26 -5.02 121.76 120.06 2qky s ALA 289 Ca 0.57 -0.12 -0.24 0.00 0.00 0.00 0.00 51.96 52.18 2qky s ALA 289 Cb -0.11 -2.59 -0.11 0.00 0.00 0.00 0.00 23.12 20.32 2qky s ALA 289 CO 0.50 0.43 0.94 -2.30 0.00 0.00 0.00 175.76 175.33 2qky n PRO 290 N -0.03 1.22 -0.29 0.00 -0.02 -1.26 -4.62 135.00 130.00 2qky n PRO 290 Ca 0.01 0.44 0.25 0.00 -2.02 0.00 0.00 63.50 62.17 2qky n PRO 290 Cb 0.52 -1.95 0.57 0.00 -0.02 0.00 0.00 33.50 32.63 2qky n PRO 290 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qky h ALA 291 N 1.43 2.44 0.00 3.55 0.00 -1.99 1.33 119.26 126.03 2qky h ALA 291 Ca -0.43 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2qky h ALA 291 Cb 1.35 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2qky h ALA 291 CO 0.56 -0.79 0.00 -1.13 0.00 0.00 0.00 179.25 177.89 2qky n SER 292 N -4.48 0.00 -0.00 0.00 3.41 -1.26 -1.00 113.62 110.28 2qky n SER 292 Ca 0.23 0.20 0.06 0.00 -0.26 0.00 0.00 58.87 59.10 2qky n SER 292 Cb 0.90 -0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 64.45 2qky n SER 292 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2qky n MET 293 N -1.32 1.03 0.05 4.33 2.00 0.45 -4.52 117.12 119.15 2qky n MET 293 Ca 0.04 -0.08 0.12 0.00 0.00 0.00 0.00 57.70 57.78 2qky n MET 293 Cb 0.08 -1.22 0.26 0.00 0.00 0.00 0.00 33.22 32.34 2qky n MET 293 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2qky n LEU 294 N -1.76 0.63 0.21 4.03 4.77 -0.17 -3.72 117.00 120.99 2qky n LEU 294 Ca -0.01 0.27 0.14 0.00 -0.03 0.00 0.00 56.01 56.38 2qky n LEU 294 Cb 0.28 -0.24 0.73 0.00 -2.33 0.00 0.00 43.42 41.85 2qky n LEU 294 CO 0.24 -0.04 0.92 0.16 -1.33 0.00 0.00 177.39 177.34 2qky h ILE 295 N 0.00 0.00 -0.22 -0.08 3.07 -1.75 -3.45 117.51 115.08 2qky h ILE 295 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2qky h ILE 295 Cb 0.68 0.59 0.00 0.00 -0.27 0.00 0.00 36.82 37.83 2qky h ILE 295 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 2qky n GLY 296 N -1.24 2.23 3.76 0.16 0.00 -1.24 -5.14 105.19 103.71 2qky n GLY 296 Ca -0.02 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 2.00 6.92 0.23 1.61 1.11 -1.26 -4.95 116.67 122.33 2qky s ASP 297 Ca 0.00 2.53 -0.15 0.00 0.18 0.00 0.00 52.55 55.11 2qky s ASP 297 Cb 0.00 -2.64 0.01 0.00 1.07 0.00 0.00 42.92 41.36 2qky s ASP 297 CO 0.00 -0.44 0.52 -1.38 1.18 0.00 0.00 175.17 175.06 2qky s HIS 298 N -0.90 0.12 0.38 4.23 -3.43 -1.26 -0.74 115.29 113.68 2qky s HIS 298 Ca 0.49 -0.50 0.04 0.00 -0.80 0.00 0.00 55.06 54.30 2qky s HIS 298 Cb -0.37 0.33 -0.06 0.00 -1.43 0.00 0.00 32.58 31.05 2qky s HIS 298 CO 0.47 -1.00 0.05 0.71 -2.00 0.00 0.00 174.74 172.98 2qky s TYR 299 N -3.95 2.05 -0.36 0.38 2.02 0.22 -4.81 117.35 112.90 2qky s TYR 299 Ca 0.16 -0.94 -0.03 0.00 -0.37 0.00 0.00 57.07 55.88 2qky s TYR 299 Cb -0.01 -1.41 0.08 0.00 -0.40 0.00 0.00 41.96 40.21 2qky s TYR 299 CO 0.05 0.08 0.12 -1.17 -1.57 0.00 0.00 175.55 173.06 2qky s LEU 300 N -3.59 4.62 0.00 -1.29 2.96 -1.26 -2.54 118.68 117.57 2qky s LEU 300 Ca 0.31 -1.59 0.20 0.00 -0.22 0.00 0.00 54.13 52.83 2qky s LEU 300 Cb 0.07 -1.80 -0.22 0.00 0.50 0.00 0.00 46.19 44.74 2qky s LEU 300 CO 0.15 -0.41 0.88 0.00 -1.32 0.00 0.00 176.35 175.65 2qky s ASP 302 N -2.94 -0.53 -0.11 0.00 -1.08 -1.24 -4.79 116.67 105.97 2qky s ASP 302 Ca 0.08 0.56 -0.03 0.00 -0.52 0.00 0.00 52.55 52.63 2qky s ASP 302 Cb 0.16 0.44 0.05 0.00 -1.46 0.00 0.00 42.92 42.11 2qky s ASP 302 CO 0.84 -0.51 0.10 -0.69 0.52 0.00 0.00 175.17 175.44 2qky s VAL 303 N -1.26 -0.15 -0.17 1.11 1.01 -1.26 -2.44 120.40 117.24 2qky s VAL 303 Ca -0.07 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 2qky s VAL 303 Cb -0.00 -0.37 0.05 0.00 0.00 0.00 0.00 36.38 36.05 2qky s VAL 303 CO 0.06 -0.03 0.01 -0.89 0.00 0.00 0.00 175.10 174.25 2qky s THR 304 N 2.19 0.64 0.30 3.92 2.01 -0.70 -5.00 115.64 119.00 2qky s THR 304 Ca 0.04 -0.46 -0.29 0.00 0.31 0.00 0.00 61.69 61.28 2qky s THR 304 Cb -0.14 -1.01 -0.10 0.00 0.01 0.00 0.00 72.50 71.26 2qky s THR 304 CO -0.06 -0.05 1.19 0.26 -0.69 0.00 0.00 174.62 175.27 2qky s TRP 305 N 1.82 3.35 -0.17 4.92 0.52 -1.26 -1.40 118.94 126.73 2qky s TRP 305 Ca 0.00 1.57 -0.04 0.00 0.02 0.00 0.00 56.10 57.65 2qky s TRP 305 Cb -0.16 -3.46 -0.09 0.00 -1.15 0.00 0.00 33.47 28.62 2qky s TRP 305 CO -0.07 -1.12 -0.19 0.00 0.02 0.00 0.00 176.95 175.59 2qky n ALA 306 N 1.08 1.80 -3.33 0.98 0.00 0.16 -4.90 120.51 116.29 2qky n ALA 306 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2qky n ALA 306 Cb 0.43 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2qky n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qky n THR 307 N -3.43 0.00 1.19 0.00 -2.24 -1.18 -4.54 114.28 104.08 2qky n THR 307 Ca -0.31 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.61 2qky n THR 307 Cb 0.76 0.00 0.63 0.00 -2.10 0.00 0.00 70.33 69.63 2qky n THR 307 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qky n GLN 308 N 0.00 0.22 0.00 -0.78 1.13 -1.26 -3.68 117.38 113.01 2qky n GLN 308 Ca 0.00 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 2qky n GLN 308 Cb 0.00 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.85 2qky n GLN 308 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2qky n GLU 309 N -1.37 0.43 -3.73 -1.09 1.02 -1.26 -4.89 120.64 109.75 2qky n GLU 309 Ca 0.10 -0.56 -0.30 0.00 -0.02 0.00 0.00 57.16 56.38 2qky n GLU 309 Cb 0.30 -0.70 -0.14 0.00 -0.02 0.00 0.00 31.44 30.88 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 -0.21 1.02 0.18 3.49 3.52 -1.24 -2.08 118.95 123.62 2qky s ARG 310 Ca 0.00 -1.57 -0.12 0.00 -0.13 0.00 0.00 55.73 53.91 2qky s ARG 310 Cb 0.00 -2.19 -0.07 0.00 -1.56 0.00 0.00 34.95 31.13 2qky s ARG 310 CO 0.00 -1.07 0.55 -1.50 -0.81 0.00 0.00 175.30 172.46 2qky s ILE 311 N 0.96 4.89 -0.07 4.11 2.07 -0.17 -0.67 121.20 132.32 2qky s ILE 311 Ca 0.14 0.69 0.04 0.00 -1.41 0.00 0.00 60.65 60.10 2qky s ILE 311 Cb -0.21 -3.69 -0.02 0.00 0.13 0.00 0.00 42.46 38.68 2qky s ILE 311 CO -0.11 0.12 -0.19 -0.94 -1.91 0.00 0.00 174.94 171.91 2qky s SER 312 N -1.97 3.56 0.00 4.50 1.04 -0.49 -0.18 113.70 120.16 2qky s SER 312 Ca 0.41 -0.38 0.07 0.00 0.48 0.00 0.00 55.95 56.53 2qky s SER 312 Cb -0.13 -1.02 -0.02 0.00 0.10 0.00 0.00 66.02 64.94 2qky s SER 312 CO 0.20 0.25 -0.21 -0.76 0.98 0.00 0.00 173.24 173.70 2qky s LEU 313 N -0.20 2.08 -0.17 2.42 1.43 -0.17 -1.73 118.68 122.35 2qky s LEU 313 Ca -0.01 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2qky s LEU 313 Cb -0.13 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 45.05 2qky s LEU 313 CO 0.03 0.23 -0.19 -1.10 0.23 0.00 0.00 176.35 175.56 2qky s GLN 314 N -0.71 2.84 -0.10 1.70 -0.21 -1.02 0.10 119.66 122.26 2qky s GLN 314 Ca 0.08 -0.77 -0.02 0.00 0.02 0.00 0.00 55.36 54.66 2qky s GLN 314 Cb -0.08 -2.46 -0.03 0.00 1.00 0.00 0.00 33.01 31.43 2qky s GLN 314 CO 0.00 -0.20 -0.00 -1.58 -2.12 0.00 0.00 175.29 171.38 2qky s TRP 315 N 1.30 3.14 -0.07 0.91 0.52 0.47 -2.60 118.94 122.62 2qky s TRP 315 Ca 0.04 0.11 0.04 0.00 0.02 0.00 0.00 56.10 56.31 2qky s TRP 315 Cb -0.13 -1.83 0.00 0.00 -1.15 0.00 0.00 33.47 30.36 2qky s TRP 315 CO -0.12 0.36 -0.19 -1.17 0.02 0.00 0.00 176.95 175.85 2qky s LEU 316 N -0.60 1.93 0.67 2.99 2.96 -1.05 0.82 118.68 126.40 2qky s LEU 316 Ca 0.10 -0.43 -0.13 0.00 -0.22 0.00 0.00 54.13 53.45 2qky s LEU 316 Cb -0.12 -1.14 0.00 0.00 0.50 0.00 0.00 46.19 45.43 2qky s LEU 316 CO 0.02 0.14 1.07 -0.13 -1.32 0.00 0.00 176.35 176.13 2qky s ARG 317 N 0.27 2.91 0.64 1.98 0.52 -0.87 0.72 118.95 125.12 2qky s ARG 317 Ca -0.12 1.13 0.33 0.00 -0.52 0.00 0.00 55.73 56.55 2qky s ARG 317 Cb -0.15 -1.98 1.83 0.00 0.52 0.00 0.00 34.95 35.16 2qky s ARG 317 CO 0.05 -1.13 2.08 -0.09 0.02 0.00 0.00 175.30 176.23 2qky h ARG 318 N -0.35 0.00 -3.49 3.54 2.43 -1.25 -2.59 114.38 112.66 2qky h ARG 318 Ca -0.45 0.00 -0.78 0.00 -0.81 0.00 0.00 59.98 57.94 2qky h ARG 318 Cb 1.22 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 30.53 2qky h ARG 318 CO 0.56 0.00 1.06 -0.89 -1.51 0.00 0.00 179.97 179.18 2qky n ILE 319 N -3.27 4.77 -0.37 1.20 2.08 -1.26 -4.92 119.36 117.58 2qky n ILE 319 Ca -0.00 -5.28 0.00 0.00 0.56 0.00 0.00 62.75 58.03 2qky n ILE 319 Cb 0.31 -2.33 0.00 0.00 -0.75 0.00 0.00 39.64 36.87 2qky n ILE 319 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2qky n GLN 320 N 2.88 0.00 0.00 0.38 6.02 -0.98 -3.42 117.38 122.27 2qky n GLN 320 Ca 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 2qky n GLN 320 Cb 0.37 -0.86 0.00 0.00 1.02 0.00 0.00 30.24 30.77 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 2.20 0.00 -3.67 1.08 6.94 -1.26 -1.40 115.26 119.15 2qky n ASN 321 Ca 0.00 -1.00 -0.14 0.00 -0.02 0.00 0.00 54.58 53.42 2qky n ASN 321 Cb 0.00 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 2qky n ASN 321 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 2qky s TYR 322 N 0.00 -0.39 0.11 -2.53 6.14 -1.22 -2.59 117.35 116.86 2qky s TYR 322 Ca 0.00 0.93 0.05 0.00 0.64 0.00 0.00 57.07 58.69 2qky s TYR 322 Cb 0.00 -0.06 -0.04 0.00 0.42 0.00 0.00 41.96 42.29 2qky s TYR 322 CO 0.00 -0.34 -0.13 -1.54 0.64 0.00 0.00 175.55 174.18 2qky s SER 323 N 2.35 1.81 0.01 4.32 1.04 0.17 -2.05 113.70 121.35 2qky s SER 323 Ca 0.01 -0.79 0.04 0.00 0.48 0.00 0.00 55.95 55.69 2qky s SER 323 Cb -0.12 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 2qky s SER 323 CO -0.08 -0.17 -0.13 -0.69 0.98 0.00 0.00 173.24 173.15 2qky s VAL 324 N -2.15 0.99 -0.19 5.02 1.01 0.24 -1.81 120.40 123.51 2qky s VAL 324 Ca 0.07 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 2qky s VAL 324 Cb -0.05 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 2qky s VAL 324 CO 0.02 0.17 -0.11 -0.32 0.00 0.00 0.00 175.10 174.86 2qky s MET 325 N -0.58 3.27 0.06 2.72 1.75 0.37 0.18 119.30 127.07 2qky s MET 325 Ca 0.03 -0.70 -0.05 0.00 -1.25 0.00 0.00 55.69 53.73 2qky s MET 325 Cb -0.06 -2.80 -0.05 0.00 2.84 0.00 0.00 34.83 34.77 2qky s MET 325 CO 0.00 -0.11 0.29 -0.51 -0.65 0.00 0.00 175.02 174.04 2qky s ASP 326 N 1.17 6.47 -0.25 1.11 1.01 0.29 -0.33 116.67 126.14 2qky s ASP 326 Ca 0.02 0.51 0.02 0.00 0.71 0.00 0.00 52.55 53.81 2qky s ASP 326 Cb -0.14 -2.07 0.06 0.00 1.01 0.00 0.00 42.92 41.78 2qky s ASP 326 CO -0.04 0.17 -0.08 -0.63 0.21 0.00 0.00 175.17 174.81 2qky s ILE 327 N -1.45 1.87 -0.13 0.77 1.01 -1.26 -1.00 121.20 121.01 2qky s ILE 327 Ca 0.33 -1.45 -0.04 0.00 0.00 0.00 0.00 60.65 59.49 2qky s ILE 327 Cb -0.13 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 2qky s ILE 327 CO 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 174.94 175.08 2qky s ASP 329 N -0.24 5.02 -0.11 0.00 1.11 0.20 -1.00 116.67 121.65 2qky s ASP 329 Ca 0.06 -0.88 -0.02 0.00 0.18 0.00 0.00 52.55 51.89 2qky s ASP 329 Cb -0.12 -0.07 -0.03 0.00 1.07 0.00 0.00 42.92 43.77 2qky s ASP 329 CO 0.02 -0.98 -0.03 -0.47 1.18 0.00 0.00 175.17 174.89 2qky s TYR 330 N -2.59 3.06 -0.41 4.23 5.04 -0.89 -1.54 117.35 124.26 2qky s TYR 330 Ca 0.49 -0.01 -0.07 0.00 -2.44 0.00 0.00 57.07 55.04 2qky s TYR 330 Cb -0.04 -1.83 0.08 0.00 0.35 0.00 0.00 41.96 40.52 2qky s TYR 330 CO 0.30 0.27 0.22 0.34 -1.34 0.00 0.00 175.55 175.34 2qky s ASP 331 N -0.44 5.50 0.53 4.32 -1.08 -0.62 -4.94 116.67 119.93 2qky s ASP 331 Ca 0.07 -1.58 0.24 0.00 -0.52 0.00 0.00 52.55 50.77 2qky s ASP 331 Cb -0.12 -1.93 1.45 0.00 -1.46 0.00 0.00 42.92 40.85 2qky s ASP 331 CO 0.02 -0.51 2.12 -0.08 0.52 0.00 0.00 175.17 177.24 2qky h GLU 332 N 8.30 0.00 -0.04 4.34 4.81 -1.94 2.85 114.58 132.91 2qky h GLU 332 Ca -0.21 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2qky h GLU 332 Cb 1.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 2qky h GLU 332 CO 0.73 0.09 0.00 0.66 -0.73 0.00 0.00 179.01 179.76 2qky h SER 333 N 0.00 0.06 0.13 1.04 4.64 -1.96 -3.32 113.55 114.15 2qky h SER 333 Ca -0.00 -0.27 -0.35 0.00 -0.47 0.00 0.00 61.79 60.70 2qky h SER 333 Cb 0.20 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2qky h SER 333 CO 0.01 0.32 -1.84 0.77 -0.87 0.00 0.00 176.83 175.22 2qky h SER 334 N -0.20 0.44 0.00 4.97 4.64 -1.92 -3.47 113.55 118.01 2qky h SER 334 Ca 0.01 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.42 2qky h SER 334 Cb 0.28 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2qky h SER 334 CO 0.00 1.80 0.00 0.61 -0.87 0.00 0.00 176.83 178.37 2qky n GLY 335 N 1.91 0.67 3.66 -0.77 0.00 0.95 -5.04 105.19 106.57 2qky n GLY 335 Ca -0.30 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 2qky n GLY 335 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qky n ARG 336 N -2.66 -0.12 -4.78 1.61 0.63 -1.17 -4.84 116.66 105.33 2qky n ARG 336 Ca 0.00 -2.54 -0.28 0.00 -0.92 0.00 0.00 57.85 54.11 2qky n ARG 336 Cb 0.00 -0.66 -0.17 0.00 0.45 0.00 0.00 32.46 32.09 2qky n ARG 336 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2qky s TRP 337 N -2.94 2.02 -0.02 -0.14 0.52 -1.26 -1.59 118.94 115.54 2qky s TRP 337 Ca 0.63 -0.85 0.07 0.00 0.02 0.00 0.00 56.10 55.97 2qky s TRP 337 Cb -0.03 -1.41 -0.02 0.00 -1.15 0.00 0.00 33.47 30.85 2qky s TRP 337 CO 0.42 -0.39 -0.23 -0.80 0.02 0.00 0.00 176.95 175.96 2qky s ASN 338 N 0.64 3.29 -0.13 2.95 0.01 -0.59 -4.93 114.94 116.18 2qky s ASN 338 Ca -0.14 -0.43 0.02 0.00 -0.71 0.00 0.00 52.86 51.61 2qky s ASN 338 Cb -0.16 -0.45 0.01 0.00 0.41 0.00 0.00 41.25 41.06 2qky s ASN 338 CO 0.04 0.32 -0.19 0.00 -1.51 0.00 0.00 177.10 175.75 2qky s LEU 340 N 0.89 4.46 0.27 0.00 1.43 -1.25 -4.97 118.68 119.51 2qky s LEU 340 Ca -0.07 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 2qky s LEU 340 Cb -0.15 -3.29 0.38 0.00 0.03 0.00 0.00 46.19 43.16 2qky s LEU 340 CO -0.02 -0.00 1.75 1.62 0.23 0.00 0.00 176.35 179.93 2qky h VAL 341 N 4.11 1.24 -0.49 -1.59 3.04 -1.99 -2.52 116.25 118.05 2qky h VAL 341 Ca -0.44 -1.08 0.14 0.00 -1.01 0.00 0.00 66.70 64.32 2qky h VAL 341 Cb 1.21 1.06 -0.02 0.00 -2.01 0.00 0.00 31.29 31.53 2qky h VAL 341 CO 0.71 0.36 0.39 0.00 -1.01 0.00 0.00 177.57 178.02 2qky h ALA 342 N 1.29 2.38 0.00 3.17 0.00 -1.94 -0.51 119.26 123.65 2qky h ALA 342 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qky h ALA 342 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2qky h ALA 342 CO 0.03 -0.64 -0.48 0.00 0.00 0.00 0.00 179.25 178.16 2qky h ARG 343 N 0.00 0.00 -6.06 0.00 3.08 -1.58 -3.43 114.38 106.40 2qky h ARG 343 Ca 0.23 0.00 -0.82 0.00 0.07 0.00 0.00 59.98 59.47 2qky h ARG 343 Cb 1.01 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.08 2qky h ARG 343 CO -0.00 0.00 0.67 1.04 -1.07 0.00 0.00 179.97 180.61 2qky n GLN 344 N -2.88 0.41 -4.26 0.04 6.02 -0.20 -4.71 117.38 111.80 2qky n GLN 344 Ca 0.02 0.15 -0.26 0.00 -0.01 0.00 0.00 57.00 56.90 2qky n GLN 344 Cb 0.54 -1.71 -0.08 0.00 1.02 0.00 0.00 30.24 30.00 2qky n GLN 344 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2qky s HIS 345 N 2.68 2.72 0.11 1.08 3.76 0.55 -4.90 115.29 121.30 2qky s HIS 345 Ca 1.00 -0.19 0.07 0.00 -0.15 0.00 0.00 55.06 55.80 2qky s HIS 345 Cb -1.32 -1.30 -0.04 0.00 1.11 0.00 0.00 32.58 31.04 2qky s HIS 345 CO 0.72 0.54 -0.19 0.42 -0.85 0.00 0.00 174.74 175.39 2qky s ILE 346 N -1.85 1.59 -0.13 0.60 1.01 -1.26 0.14 121.20 121.30 2qky s ILE 346 Ca 0.27 -1.59 -0.06 0.00 0.00 0.00 0.00 60.65 59.26 2qky s ILE 346 Cb -0.08 -1.53 0.05 0.00 0.01 0.00 0.00 42.46 40.91 2qky s ILE 346 CO 0.17 -0.18 0.30 -0.70 0.00 0.00 0.00 174.94 174.53 2qky s GLU 347 N -2.13 0.26 0.25 2.79 2.12 -0.75 -4.98 118.70 116.25 2qky s GLU 347 Ca 0.07 0.62 -0.06 0.00 0.36 0.00 0.00 54.97 55.96 2qky s GLU 347 Cb -0.09 -0.08 0.03 0.00 0.26 0.00 0.00 34.13 34.25 2qky s GLU 347 CO 0.04 -0.17 0.44 0.00 -0.54 0.00 0.00 175.26 175.03 2qky n MET 348 N 4.33 0.64 -3.65 4.30 0.00 -1.26 0.45 117.12 121.93 2qky n MET 348 Ca -0.23 -1.62 -0.13 0.00 0.00 0.00 0.00 57.70 55.71 2qky n MET 348 Cb 0.53 1.81 -0.06 0.00 0.00 0.00 0.00 33.22 35.50 2qky n MET 348 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2qky s SER 349 N -2.39 -0.33 -0.00 3.17 0.15 -1.07 -4.92 113.70 108.31 2qky s SER 349 Ca 0.14 0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.92 2qky s SER 349 Cb -0.02 0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 64.68 2qky s SER 349 CO 0.10 -0.64 0.14 0.35 1.20 0.00 0.00 173.24 174.39 2qky n THR 350 N 0.61 0.00 -0.02 6.45 -2.24 -1.26 -4.62 114.28 113.20 2qky n THR 350 Ca -0.19 -0.38 0.08 0.00 -2.27 0.00 0.00 64.05 61.29 2qky n THR 350 Cb 0.59 0.94 -0.16 0.00 -2.10 0.00 0.00 70.33 69.60 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 -1.14 0.17 0.00 4.28 -2.24 -1.26 -5.06 114.28 109.03 2qky n THR 351 Ca 0.01 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2qky n THR 351 Cb 0.06 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 1.38 4.13 3.97 3.38 0.00 -1.26 -4.82 105.19 111.97 2qky n GLY 352 Ca -0.07 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 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 0.66 2.03 -0.17 1.61 -2.14 -1.26 -4.70 118.94 114.97 2qky s TRP 353 Ca 0.00 -0.63 -0.22 0.00 2.66 0.00 0.00 56.10 57.92 2qky s TRP 353 Cb 0.00 -2.18 -0.03 0.00 -3.10 0.00 0.00 33.47 28.16 2qky s TRP 353 CO 0.00 -0.65 0.66 0.08 -2.66 0.00 0.00 176.95 174.39 2qky s VAL 354 N -2.58 5.01 0.00 -0.66 1.01 -0.49 -4.70 120.40 117.99 2qky s VAL 354 Ca 0.52 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.78 2qky s VAL 354 Cb -0.05 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.34 2qky s VAL 354 CO 0.32 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2qky n GLY 355 N 3.60 -2.04 0.12 4.51 0.00 -1.26 -3.63 105.19 106.49 2qky n GLY 355 Ca -0.01 -1.48 -0.19 0.00 0.00 0.00 0.00 46.02 44.35 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 0.00 0.28 0.00 1.61 3.08 -1.95 -3.43 114.38 113.97 2qky h ARG 356 Ca 0.00 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2qky h ARG 356 Cb 0.00 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2qky h ARG 356 CO 0.00 1.15 0.00 1.19 -1.07 0.00 0.00 179.97 181.24 2qky n PHE 357 N -3.47 0.00 -3.60 3.04 3.01 -1.26 -4.87 117.46 110.31 2qky n PHE 357 Ca -0.20 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.16 2qky n PHE 357 Cb 1.05 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.47 2qky n PHE 357 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 2qky s ARG 358 N -0.57 0.56 0.13 -1.08 1.70 -1.25 -5.00 118.95 113.44 2qky s ARG 358 Ca 0.00 0.31 -0.32 0.00 -0.47 0.00 0.00 55.73 55.26 2qky s ARG 358 Cb 0.00 0.27 -0.18 0.00 -0.57 0.00 0.00 34.95 34.47 2qky s ARG 358 CO 0.00 -0.14 0.70 -2.30 -1.08 0.00 0.00 175.30 172.48 2qky n PRO 359 N 1.29 0.00 -1.32 3.89 -0.02 -1.24 -4.66 135.00 132.95 2qky n PRO 359 Ca -0.11 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.05 2qky n PRO 359 Cb 0.57 -1.15 0.09 0.00 -0.02 0.00 0.00 33.50 32.99 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 -0.66 4.43 -0.02 2.55 1.04 -1.26 -4.96 113.70 114.82 2qky s SER 360 Ca 0.72 1.95 -0.18 0.00 0.48 0.00 0.00 55.95 58.92 2qky s SER 360 Cb -1.03 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 62.50 2qky s SER 360 CO 0.56 -2.09 0.50 -1.83 0.98 0.00 0.00 173.24 171.36 2qky s GLU 361 N -4.61 4.19 1.24 4.02 1.03 -1.26 -4.90 118.70 118.41 2qky s GLU 361 Ca 0.64 0.56 -0.15 0.00 0.03 0.00 0.00 54.97 56.06 2qky s GLU 361 Cb -0.19 -3.32 0.31 0.00 -0.80 0.00 0.00 34.13 30.13 2qky s GLU 361 CO 0.52 0.45 1.00 -1.25 -1.33 0.00 0.00 175.26 174.65 2qky s PRO 362 N -0.37 -1.52 -0.33 -4.83 0.04 -1.26 -4.72 135.00 122.01 2qky s PRO 362 Ca 0.27 0.68 0.02 0.00 0.04 0.00 0.00 61.00 62.01 2qky s PRO 362 Cb -0.17 -1.50 0.15 0.00 0.04 0.00 0.00 34.50 33.02 2qky s PRO 362 CO 0.14 -4.08 0.35 -1.01 0.04 0.00 0.00 177.00 172.44 2qky s HIS 363 N -2.39 -0.46 0.57 0.56 3.76 0.06 -4.91 115.29 112.48 2qky s HIS 363 Ca 0.69 -0.40 -0.16 0.00 -0.15 0.00 0.00 55.06 55.03 2qky s HIS 363 Cb -0.23 -0.40 -0.05 0.00 1.11 0.00 0.00 32.58 33.01 2qky s HIS 363 CO 0.64 -0.95 1.03 -0.06 -0.85 0.00 0.00 174.74 174.55 2qky s PHE 364 N 1.96 3.17 -0.01 1.40 0.40 -1.26 0.35 117.98 123.99 2qky s PHE 364 Ca 0.13 1.49 -0.16 0.00 -0.60 0.00 0.00 56.93 57.79 2qky s PHE 364 Cb -0.14 -2.92 -0.06 0.00 0.51 0.00 0.00 43.02 40.41 2qky s PHE 364 CO -0.19 -0.85 0.43 0.95 0.70 0.00 0.00 175.22 176.26 2qky s THR 365 N -2.54 5.02 0.00 0.64 -4.23 0.40 -4.90 115.64 110.03 2qky s THR 365 Ca 0.62 0.89 0.00 0.00 -1.18 0.00 0.00 61.69 62.02 2qky s THR 365 Cb -0.14 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.96 2qky s THR 365 CO 0.36 0.54 0.00 -0.11 -0.54 0.00 0.00 174.62 174.86 2qky n LEU 366 N 2.11 0.00 0.00 4.79 7.94 -1.26 0.47 117.00 131.05 2qky n LEU 366 Ca -0.13 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.82 2qky n LEU 366 Cb 0.52 0.00 0.23 0.00 0.53 0.00 0.00 43.42 44.70 2qky n LEU 366 CO 0.39 0.00 0.51 -0.90 -1.11 0.00 0.00 177.39 176.28 2qky n ASP 367 N -3.10 0.00 -2.50 1.96 5.75 -1.26 -4.79 116.55 112.61 2qky n ASP 367 Ca 0.00 -0.09 -0.16 0.00 -0.01 0.00 0.00 54.79 54.52 2qky n ASP 367 Cb 0.00 -0.11 -0.01 0.00 -1.03 0.00 0.00 41.12 39.97 2qky n ASP 367 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qky n GLY 368 N -0.52 -0.50 0.09 6.12 0.00 1.72 -4.85 105.19 107.25 2qky n GLY 368 Ca 0.05 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.93 0.92 -4.29 1.61 3.02 -1.26 -4.90 115.26 108.44 2qky n ASN 369 Ca -0.17 0.30 -0.16 0.00 -0.03 0.00 0.00 54.58 54.52 2qky n ASN 369 Cb 0.64 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.71 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 -6.12 1.79 0.26 6.41 1.04 -1.26 -1.04 113.70 114.77 2qky s SER 370 Ca -0.09 -1.12 -0.07 0.00 0.48 0.00 0.00 55.95 55.15 2qky s SER 370 Cb 0.07 0.00 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 2qky s SER 370 CO 0.81 -0.43 0.38 0.72 0.98 0.00 0.00 173.24 175.70 2qky s PHE 371 N -3.38 0.78 -0.01 5.02 -0.12 -0.96 -0.46 117.98 118.85 2qky s PHE 371 Ca 0.23 -1.06 0.07 0.00 -0.05 0.00 0.00 56.93 56.12 2qky s PHE 371 Cb 0.04 -0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.32 2qky s PHE 371 CO 0.05 -0.93 -0.23 0.71 -0.05 0.00 0.00 175.22 174.77 2qky s TYR 372 N -3.81 2.05 -0.07 3.49 1.51 0.16 -1.60 117.35 119.08 2qky s TYR 372 Ca 0.29 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.90 2qky s TYR 372 Cb 0.02 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.58 2qky s TYR 372 CO 0.13 -0.01 0.19 0.21 -1.11 0.00 0.00 175.55 174.96 2qky s LYS 373 N -0.65 0.23 -0.20 -0.62 2.20 -0.69 -0.76 119.74 119.25 2qky s LYS 373 Ca 0.09 0.25 -0.25 0.00 -0.36 0.00 0.00 55.97 55.69 2qky s LYS 373 Cb -0.09 0.11 -0.01 0.00 -1.51 0.00 0.00 37.83 36.33 2qky s LYS 373 CO -0.00 -0.03 0.85 0.42 -0.36 0.00 0.00 175.35 176.23 2qky s ILE 374 N 0.06 4.84 0.20 5.43 1.01 -1.26 0.05 121.20 131.54 2qky s ILE 374 Ca -0.00 1.65 -0.04 0.00 0.00 0.00 0.00 60.65 62.26 2qky s ILE 374 Cb -0.01 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 2qky s ILE 374 CO 0.00 -0.03 0.20 0.27 0.00 0.00 0.00 174.94 175.38 2qky s ILE 375 N 2.50 0.01 0.14 2.92 -4.36 0.12 -4.55 121.20 117.98 2qky s ILE 375 Ca 0.38 -1.84 -0.30 0.00 -0.26 0.00 0.00 60.65 58.63 2qky s ILE 375 Cb -0.16 -2.36 -0.07 0.00 1.25 0.00 0.00 42.46 41.13 2qky s ILE 375 CO 0.10 -0.07 1.01 -0.55 0.24 0.00 0.00 174.94 175.68 2qky s SER 376 N -3.11 7.42 0.20 4.36 0.15 -1.26 -0.29 113.70 121.17 2qky s SER 376 Ca 0.33 1.91 0.00 0.00 0.70 0.00 0.00 55.95 58.89 2qky s SER 376 Cb 0.05 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2qky s SER 376 CO 0.10 -0.12 0.00 -0.46 1.20 0.00 0.00 173.24 173.96 2qky n ASN 377 N 2.62 0.00 -0.03 5.45 0.23 0.41 -4.81 115.26 119.12 2qky n ASN 377 Ca 0.02 -0.33 0.13 0.00 -0.53 0.00 0.00 54.58 53.88 2qky n ASN 377 Cb 0.48 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.73 2qky n ASN 377 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2qky h GLU 378 N 0.00 0.28 -0.03 -3.83 9.09 -1.97 -0.31 114.58 117.81 2qky h GLU 378 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.39 2qky h GLU 378 Cb 0.00 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.04 2qky h GLU 378 CO 0.00 0.18 -0.03 0.39 0.05 0.00 0.00 179.01 179.60 2qky n GLU 379 N -4.46 2.09 -0.43 1.06 -0.58 -1.26 -4.97 120.64 112.08 2qky n GLU 379 Ca 0.08 -1.79 0.00 0.00 -0.42 0.00 0.00 57.16 55.04 2qky n GLU 379 Cb 0.38 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 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 1.29 0.74 3.83 0.62 0.00 -0.13 -4.57 105.19 106.98 2qky n GLY 380 Ca 0.13 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 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 3.57 0.07 1.61 1.51 -1.26 0.00 117.35 120.85 2qky s TYR 381 Ca 0.00 0.56 -0.30 0.00 -1.01 0.00 0.00 57.07 56.32 2qky s TYR 381 Cb 0.00 -2.06 -0.06 0.00 -0.11 0.00 0.00 41.96 39.74 2qky s TYR 381 CO 0.00 0.60 1.13 1.03 -1.11 0.00 0.00 175.55 177.21 2qky s ARG 382 N -0.66 4.49 0.33 -0.62 0.52 -1.26 -0.45 118.95 121.31 2qky s ARG 382 Ca 0.15 1.69 0.02 0.00 -0.52 0.00 0.00 55.73 57.07 2qky s ARG 382 Cb -0.13 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 31.98 2qky s ARG 382 CO 0.04 -0.14 0.37 -1.01 0.02 0.00 0.00 175.30 174.58 2qky s HIS 383 N 0.77 1.37 -0.28 -0.53 3.76 0.61 -1.33 115.29 119.67 2qky s HIS 383 Ca 0.55 -1.46 -0.18 0.00 -0.15 0.00 0.00 55.06 53.82 2qky s HIS 383 Cb -0.28 -0.38 -0.02 0.00 1.11 0.00 0.00 32.58 33.01 2qky s HIS 383 CO 0.30 -1.00 0.51 0.42 -0.85 0.00 0.00 174.74 174.12 2qky s ILE 384 N -3.27 5.06 0.11 0.60 1.01 -1.26 0.16 121.20 123.61 2qky s ILE 384 Ca 0.35 0.77 0.03 0.00 0.00 0.00 0.00 60.65 61.80 2qky s ILE 384 Cb 0.01 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2qky s ILE 384 CO 0.23 0.03 0.18 0.00 0.00 0.00 0.00 174.94 175.38 2qky s TYR 386 N -1.60 2.88 0.15 0.00 5.04 0.19 -1.70 117.35 122.31 2qky s TYR 386 Ca 0.32 -0.39 0.07 0.00 -2.44 0.00 0.00 57.07 54.63 2qky s TYR 386 Cb -0.12 -1.83 -0.04 0.00 0.35 0.00 0.00 41.96 40.32 2qky s TYR 386 CO 0.25 -0.04 -0.15 -0.06 -1.34 0.00 0.00 175.55 174.22 2qky s PHE 387 N 0.06 1.57 -0.19 4.97 0.08 -0.62 -0.63 117.98 123.22 2qky s PHE 387 Ca -0.03 -0.55 -0.03 0.00 0.12 0.00 0.00 56.93 56.44 2qky s PHE 387 Cb -0.14 -0.79 -0.01 0.00 -0.57 0.00 0.00 43.02 41.51 2qky s PHE 387 CO 0.04 0.23 -0.06 -0.65 -0.10 0.00 0.00 175.22 174.68 2qky s GLN 388 N -2.95 3.45 0.60 0.44 -1.52 -1.26 -2.25 119.66 116.16 2qky s GLN 388 Ca 0.14 -0.61 0.14 0.00 -1.95 0.00 0.00 55.36 53.08 2qky s GLN 388 Cb -0.04 -2.92 0.78 0.00 -0.22 0.00 0.00 33.01 30.62 2qky s GLN 388 CO 0.05 -0.02 1.41 -0.84 -0.25 0.00 0.00 175.29 175.64 2qky h ILE 389 N 5.52 0.00 0.00 1.08 3.07 -1.45 0.15 117.51 125.88 2qky h ILE 389 Ca -0.36 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.05 2qky h ILE 389 Cb 1.18 0.32 -0.00 0.00 -0.27 0.00 0.00 36.82 38.04 2qky h ILE 389 CO 0.60 0.00 -0.09 -0.90 -1.05 0.00 0.00 178.15 176.71 2qky n ASP 390 N -2.55 2.13 -3.83 2.16 5.75 -1.26 -3.97 116.55 114.98 2qky n ASP 390 Ca -0.01 -3.10 -0.27 0.00 -0.01 0.00 0.00 54.79 51.39 2qky n ASP 390 Cb 0.63 -0.43 -0.17 0.00 -1.03 0.00 0.00 41.12 40.13 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 -2.72 1.10 0.63 0.11 1.02 0.53 -4.89 119.74 115.52 2qky s LYS 391 Ca 0.31 -0.43 0.31 0.00 0.02 0.00 0.00 55.97 56.17 2qky s LYS 391 Cb 0.27 -1.93 1.68 0.00 -0.52 0.00 0.00 37.83 37.34 2qky s LYS 391 CO 0.02 -0.49 2.00 0.87 -0.92 0.00 0.00 175.35 176.82 2qky h LYS 392 N 8.17 0.00 -6.65 1.68 1.79 -1.88 -3.37 116.57 116.31 2qky h LYS 392 Ca -0.21 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.76 2qky h LYS 392 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2qky h LYS 392 CO 0.36 0.00 -0.05 -0.51 -1.08 0.00 0.00 179.45 178.18 2qky s ASP 393 N -4.94 6.40 -0.01 0.86 1.01 -1.26 -5.02 116.67 113.72 2qky s ASP 393 Ca -0.04 0.80 0.03 0.00 0.71 0.00 0.00 52.55 54.05 2qky s ASP 393 Cb 0.12 -2.18 -0.01 0.00 1.01 0.00 0.00 42.92 41.86 2qky s ASP 393 CO 0.40 -0.33 -0.09 0.00 0.21 0.00 0.00 175.17 175.37 2qky s THR 395 N -0.16 5.20 -0.22 0.00 2.01 0.20 -4.71 115.64 117.95 2qky s THR 395 Ca 0.03 0.52 -0.29 0.00 0.31 0.00 0.00 61.69 62.26 2qky s THR 395 Cb -0.04 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 2qky s THR 395 CO -0.00 0.18 1.39 -0.36 -0.69 0.00 0.00 174.62 175.14 2qky s PHE 396 N 1.96 2.54 -1.47 4.92 0.08 -1.26 -0.64 117.98 124.11 2qky s PHE 396 Ca 0.14 0.78 0.28 0.00 0.12 0.00 0.00 56.93 58.25 2qky s PHE 396 Cb -0.16 -3.81 1.16 0.00 -0.57 0.00 0.00 43.02 39.64 2qky s PHE 396 CO 0.10 -2.17 1.83 0.44 -0.10 0.00 0.00 175.22 175.31 2qky n ILE 397 N 5.96 0.00 -3.94 0.64 -5.35 -0.89 -4.89 119.36 110.89 2qky n ILE 397 Ca 0.16 -0.04 -0.09 0.00 -0.27 0.00 0.00 62.75 62.50 2qky n ILE 397 Cb 0.45 -0.13 -0.06 0.00 -1.74 0.00 0.00 39.64 38.17 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 -2.61 0.03 -0.07 7.28 -4.23 -1.25 -4.94 115.64 109.84 2qky s THR 398 Ca 0.25 -1.30 -0.32 0.00 -1.18 0.00 0.00 61.69 59.14 2qky s THR 398 Cb 0.20 -1.94 0.14 0.00 1.34 0.00 0.00 72.50 72.23 2qky s THR 398 CO 0.51 -0.15 1.39 -1.59 -0.54 0.00 0.00 174.62 174.24 2qky s LYS 399 N -3.97 0.15 0.00 3.99 -2.85 -1.26 -4.63 119.74 111.16 2qky s LYS 399 Ca 0.18 -0.08 0.00 0.00 -1.00 0.00 0.00 55.97 55.07 2qky s LYS 399 Cb 0.01 0.05 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 2qky s LYS 399 CO 0.03 -0.07 0.00 0.41 0.10 0.00 0.00 175.35 175.82 2qky n GLY 400 N -0.55 0.83 2.77 0.59 0.00 -1.26 -4.92 105.19 102.65 2qky n GLY 400 Ca -0.08 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.10 5.61 -3.75 2.61 -2.24 -1.26 -4.81 114.28 110.34 2qky n THR 401 Ca 0.00 -5.66 -0.08 0.00 -2.27 0.00 0.00 64.05 56.04 2qky n THR 401 Cb 0.00 -1.86 -0.02 0.00 -2.10 0.00 0.00 70.33 66.35 2qky n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2qky s TRP 402 N -3.06 -0.28 0.09 4.78 1.48 -1.26 -5.01 118.94 115.69 2qky s TRP 402 Ca 0.38 -0.12 0.10 0.00 -1.06 0.00 0.00 56.10 55.40 2qky s TRP 402 Cb 0.13 0.67 -0.03 0.00 -1.16 0.00 0.00 33.47 33.07 2qky s TRP 402 CO -0.03 -1.14 -0.26 -1.21 -4.06 0.00 0.00 176.95 170.25 2qky s GLU 403 N -3.88 1.53 -0.19 3.25 2.02 -1.26 -4.50 118.70 115.67 2qky s GLU 403 Ca 0.09 -1.23 -0.26 0.00 0.02 0.00 0.00 54.97 53.58 2qky s GLU 403 Cb -0.05 -1.88 -0.01 0.00 0.10 0.00 0.00 34.13 32.30 2qky s GLU 403 CO 0.02 0.46 0.90 0.08 0.02 0.00 0.00 175.26 176.74 2qky s VAL 404 N -0.96 4.81 -0.09 2.63 1.01 -0.44 -3.01 120.40 124.35 2qky s VAL 404 Ca 0.12 1.76 -0.28 0.00 0.00 0.00 0.00 61.98 63.59 2qky s VAL 404 Cb -0.10 -4.19 -0.24 0.00 0.00 0.00 0.00 36.38 31.85 2qky s VAL 404 CO 0.04 -0.05 0.98 0.40 0.00 0.00 0.00 175.10 176.47 2qky h ILE 405 N 5.30 1.63 -2.18 2.22 1.08 -0.39 -3.44 117.51 121.72 2qky h ILE 405 Ca -0.26 -1.85 0.15 0.00 -0.39 0.00 0.00 64.86 62.51 2qky h ILE 405 Cb 1.11 2.89 -0.14 0.00 -3.07 0.00 0.00 36.82 37.61 2qky h ILE 405 CO 0.88 0.48 0.54 -0.83 -0.69 0.00 0.00 178.15 178.53 2qky s GLY 406 N -3.79 -0.39 -0.24 5.37 0.00 -1.19 -5.00 107.32 102.08 2qky s GLY 406 Ca -0.18 0.84 -0.12 0.00 0.00 0.00 0.00 44.72 45.27 2qky s GLY 406 CO 0.68 0.27 0.23 -0.42 0.00 0.00 0.00 173.10 173.86 2qky s ILE 407 N -3.06 5.30 -0.19 0.90 1.01 -1.26 -1.61 121.20 122.29 2qky s ILE 407 Ca 0.08 0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.96 2qky s ILE 407 Cb -0.01 -3.57 -0.21 0.00 0.01 0.00 0.00 42.46 38.68 2qky s ILE 407 CO -0.06 0.30 0.13 -0.62 0.00 0.00 0.00 174.94 174.69 2qky n GLU 408 N 4.51 0.68 -3.70 2.79 -0.58 0.19 -5.00 120.64 119.53 2qky n GLU 408 Ca -0.13 0.31 -0.13 0.00 -0.42 0.00 0.00 57.16 56.80 2qky n GLU 408 Cb 0.52 -1.66 -0.07 0.00 -0.57 0.00 0.00 31.44 29.66 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 -2.50 -0.90 -0.20 0.62 0.00 -1.20 -4.98 121.76 112.60 2qky s ALA 409 Ca -0.28 0.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.87 2qky s ALA 409 Cb 0.08 0.31 0.07 0.00 0.00 0.00 0.00 23.12 23.58 2qky s ALA 409 CO 0.66 -0.43 0.09 -1.17 0.00 0.00 0.00 175.76 174.92 2qky s LEU 410 N -1.95 0.54 0.28 0.00 2.96 -1.26 -0.89 118.68 118.36 2qky s LEU 410 Ca -0.06 -0.79 0.06 0.00 -0.22 0.00 0.00 54.13 53.13 2qky s LEU 410 Cb -0.01 -0.32 -0.03 0.00 0.50 0.00 0.00 46.19 46.33 2qky s LEU 410 CO -0.02 -0.36 0.32 0.42 -1.32 0.00 0.00 176.35 175.39 2qky s THR 411 N 2.08 4.40 0.59 3.68 -4.23 0.84 -4.95 115.64 118.05 2qky s THR 411 Ca 0.03 -1.20 0.29 0.00 -1.18 0.00 0.00 61.69 59.62 2qky s THR 411 Cb -0.16 -3.48 0.38 0.00 1.34 0.00 0.00 72.50 70.57 2qky s THR 411 CO -0.14 -0.27 1.96 0.77 -0.54 0.00 0.00 174.62 176.40 2qky h SER 412 N 1.23 0.00 0.00 3.99 4.64 -2.00 -2.59 113.55 118.82 2qky h SER 412 Ca -0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 2qky h SER 412 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2qky h SER 412 CO 0.59 0.00 -1.52 0.47 -0.87 0.00 0.00 176.83 175.50 2qky n ASP 413 N -3.77 2.46 -4.19 4.97 8.00 -1.26 -4.87 116.55 117.90 2qky n ASP 413 Ca 0.06 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.45 2qky n ASP 413 Cb 0.56 1.46 -0.10 0.00 -0.02 0.00 0.00 41.12 43.03 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 -2.74 0.98 -0.07 1.24 1.51 -0.98 -2.32 117.35 114.97 2qky s TYR 414 Ca -0.04 -0.99 0.01 0.00 -1.01 0.00 0.00 57.07 55.04 2qky s TYR 414 Cb 0.07 -0.57 0.02 0.00 -0.11 0.00 0.00 41.96 41.37 2qky s TYR 414 CO 0.46 -0.22 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.44 2qky s LEU 415 N -3.08 1.32 -0.12 -1.29 0.20 -0.96 -0.11 118.68 114.63 2qky s LEU 415 Ca 0.17 -0.21 -0.02 0.00 0.69 0.00 0.00 54.13 54.76 2qky s LEU 415 Cb 0.06 -0.65 -0.03 0.00 -0.43 0.00 0.00 46.19 45.14 2qky s LEU 415 CO -0.01 -0.06 -0.04 -0.31 -0.29 0.00 0.00 176.35 175.64 2qky s TYR 416 N 1.11 3.03 0.17 5.38 1.51 -0.07 -1.73 117.35 126.76 2qky s TYR 416 Ca -0.07 -0.11 -0.06 0.00 -1.01 0.00 0.00 57.07 55.82 2qky s TYR 416 Cb -0.14 -1.85 -0.02 0.00 -0.11 0.00 0.00 41.96 39.83 2qky s TYR 416 CO -0.01 0.17 0.22 1.52 -1.11 0.00 0.00 175.55 176.34 2qky s TYR 417 N -0.22 0.65 -0.05 2.71 -0.85 -0.34 -0.64 117.35 118.60 2qky s TYR 417 Ca 0.04 -0.99 0.06 0.00 -0.52 0.00 0.00 57.07 55.66 2qky s TYR 417 Cb -0.13 -0.23 -0.01 0.00 0.38 0.00 0.00 41.96 41.97 2qky s TYR 417 CO 0.02 -0.68 -0.23 0.42 -1.52 0.00 0.00 175.55 173.56 2qky s ILE 418 N -4.03 2.23 0.11 -3.49 1.01 -0.64 0.34 121.20 116.73 2qky s ILE 418 Ca 0.23 -1.01 -0.08 0.00 0.00 0.00 0.00 60.65 59.79 2qky s ILE 418 Cb 0.05 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 2qky s ILE 418 CO 0.03 0.57 0.19 -0.94 0.00 0.00 0.00 174.94 174.80 2qky s SER 419 N -0.28 0.13 -0.17 3.58 1.04 -1.12 0.40 113.70 117.28 2qky s SER 419 Ca 0.00 -0.74 0.12 0.00 0.48 0.00 0.00 55.95 55.81 2qky s SER 419 Cb -0.13 0.35 0.65 0.00 0.10 0.00 0.00 66.02 66.99 2qky s SER 419 CO 0.03 -0.76 1.50 -0.46 0.98 0.00 0.00 173.24 174.53 2qky n ASN 420 N -0.09 4.67 0.06 7.02 0.23 -1.16 -2.91 115.26 123.08 2qky n ASN 420 Ca -0.13 -2.68 -0.13 0.00 -0.53 0.00 0.00 54.58 51.11 2qky n ASN 420 Cb 0.62 -0.63 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 2qky n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2qky h GLU 421 N 3.25 -0.54 -6.18 -3.83 4.81 -1.81 -3.22 114.58 107.05 2qky h GLU 421 Ca 0.00 0.04 -0.66 0.00 -0.13 0.00 0.00 59.36 58.61 2qky h GLU 421 Cb 1.61 0.12 0.10 0.00 0.63 0.00 0.00 28.75 31.22 2qky h GLU 421 CO 0.36 -0.36 -0.20 0.98 -0.73 0.00 0.00 179.01 179.06 2qky n TYR 422 N -5.45 0.32 -0.65 0.92 9.36 -1.26 -0.21 117.16 120.19 2qky n TYR 422 Ca -0.06 0.86 -0.03 0.00 3.32 0.00 0.00 57.90 62.00 2qky n TYR 422 Cb 0.36 -2.09 -0.01 0.00 -0.63 0.00 0.00 39.34 36.97 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 1.02 -1.71 -3.83 2.98 5.02 -1.26 -2.20 118.16 118.19 2qky n LYS 423 Ca 0.15 0.27 -0.24 0.00 -2.02 0.00 0.00 58.31 56.47 2qky n LYS 423 Cb 0.26 -3.80 0.01 0.00 -0.02 0.00 0.00 35.03 31.48 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 0.18 -0.27 3.11 0.72 0.00 0.70 -4.96 105.19 104.67 2qky n GLY 424 Ca -0.03 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -6.28 2.33 0.30 1.61 -1.94 -0.93 -5.01 119.30 109.38 2qky s MET 425 Ca 0.05 -1.31 0.00 0.00 -1.71 0.00 0.00 55.69 52.73 2qky s MET 425 Cb -0.03 -3.00 0.52 0.00 2.01 0.00 0.00 34.83 34.33 2qky s MET 425 CO 0.85 -0.58 1.92 -1.35 -0.01 0.00 0.00 175.02 175.85 2qky h PRO 426 N 7.86 1.01 -1.93 2.03 0.11 -1.89 -2.96 132.00 136.23 2qky h PRO 426 Ca -0.20 -0.06 -0.33 0.00 0.11 0.00 0.00 66.00 65.52 2qky h PRO 426 Cb 1.05 -0.23 -0.12 0.00 0.11 0.00 0.00 31.00 31.81 2qky h PRO 426 CO 0.49 0.67 0.11 0.41 -0.21 0.00 0.00 178.00 179.47 2qky n GLY 427 N -1.40 3.72 3.20 -0.55 0.00 -1.26 -4.80 105.19 104.10 2qky n GLY 427 Ca 0.13 -1.39 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 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 0.99 0.74 -0.06 -0.02 0.00 -1.12 -1.17 107.32 106.68 2qky s GLY 428 Ca 0.52 -1.23 -0.11 0.00 0.00 0.00 0.00 44.72 43.91 2qky s GLY 428 CO -0.10 -1.18 0.26 0.50 0.00 0.00 0.00 173.10 172.58 2qky s ARG 429 N -4.00 0.45 -0.16 2.90 1.81 -0.13 -4.03 118.95 115.78 2qky s ARG 429 Ca 0.19 0.07 -0.23 0.00 -1.72 0.00 0.00 55.73 54.04 2qky s ARG 429 Cb 0.06 0.20 0.06 0.00 -0.45 0.00 0.00 34.95 34.82 2qky s ARG 429 CO -0.01 -0.09 0.60 -0.80 -0.68 0.00 0.00 175.30 174.32 2qky s ASN 430 N -0.57 -0.60 0.09 0.23 0.01 -1.15 -1.37 114.94 111.59 2qky s ASN 430 Ca -0.07 1.00 -0.29 0.00 -0.71 0.00 0.00 52.86 52.79 2qky s ASN 430 Cb -0.04 0.98 -0.06 0.00 0.41 0.00 0.00 41.25 42.55 2qky s ASN 430 CO 0.02 -0.34 0.94 -0.22 -1.51 0.00 0.00 177.10 175.98 2qky s LEU 431 N -0.22 4.48 0.13 0.60 2.96 -1.26 -2.79 118.68 122.57 2qky s LEU 431 Ca -0.04 1.74 0.08 0.00 -0.22 0.00 0.00 54.13 55.69 2qky s LEU 431 Cb -0.03 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 2qky s LEU 431 CO 0.04 -0.07 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.48 2qky s TYR 432 N 0.07 1.83 -0.10 5.38 1.51 0.15 0.69 117.35 126.88 2qky s TYR 432 Ca 0.46 -0.44 0.03 0.00 -1.01 0.00 0.00 57.07 56.11 2qky s TYR 432 Cb -0.23 -0.96 0.01 0.00 -0.11 0.00 0.00 41.96 40.67 2qky s TYR 432 CO 0.29 0.27 -0.18 0.21 -1.11 0.00 0.00 175.55 175.02 2qky s LYS 433 N -2.28 2.49 -0.07 -0.62 2.20 -0.17 -1.20 119.74 120.10 2qky s LYS 433 Ca 0.11 -0.67 0.03 0.00 -0.36 0.00 0.00 55.97 55.07 2qky s LYS 433 Cb -0.08 -2.00 0.01 0.00 -1.51 0.00 0.00 37.83 34.25 2qky s LYS 433 CO 0.05 0.04 -0.14 -1.50 -0.36 0.00 0.00 175.35 173.44 2qky s ILE 434 N 0.69 1.27 -0.36 5.43 2.07 -0.70 -0.11 121.20 129.49 2qky s ILE 434 Ca -0.12 -0.57 -0.29 0.00 -1.41 0.00 0.00 60.65 58.26 2qky s ILE 434 Cb -0.16 -1.14 0.01 0.00 0.13 0.00 0.00 42.46 41.29 2qky s ILE 434 CO 0.03 0.38 1.36 -1.58 -1.91 0.00 0.00 174.94 173.22 2qky s GLN 435 N 0.53 3.73 0.65 3.50 0.74 -0.80 -2.27 119.66 125.74 2qky s GLN 435 Ca -0.13 1.08 0.42 0.00 0.05 0.00 0.00 55.36 56.77 2qky s GLN 435 Cb -0.15 -3.96 2.27 0.00 1.10 0.00 0.00 33.01 32.27 2qky s GLN 435 CO 0.04 -1.36 2.33 -0.07 -0.55 0.00 0.00 175.29 175.67 2qky h LEU 436 N 11.59 0.00 -0.47 3.68 3.38 -1.80 0.14 115.31 131.84 2qky h LEU 436 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2qky h LEU 436 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2qky h LEU 436 CO 1.06 0.00 -0.17 -1.54 0.09 0.00 0.00 178.44 177.89 2qky n SER 437 N -3.18 0.90 -3.15 -0.43 3.41 -1.26 -4.75 113.62 105.15 2qky n SER 437 Ca -0.03 -0.88 0.06 0.00 -0.26 0.00 0.00 58.87 57.76 2qky n SER 437 Cb 0.09 0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 2qky n SER 437 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2qky s ASP 438 N -2.41 -0.32 0.00 4.04 2.15 0.47 -5.03 116.67 115.57 2qky s ASP 438 Ca 0.28 0.09 0.10 0.00 0.43 0.00 0.00 52.55 53.46 2qky s ASP 438 Cb 0.20 1.22 0.62 0.00 -0.30 0.00 0.00 42.92 44.66 2qky s ASP 438 CO 0.48 -0.06 1.05 -1.22 -0.17 0.00 0.00 175.17 175.25 2qky n TYR 439 N 5.24 0.00 0.07 -5.34 4.01 -1.14 -2.04 117.16 117.97 2qky n TYR 439 Ca 0.03 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.83 2qky n TYR 439 Cb 0.56 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.56 2qky n TYR 439 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2qky h THR 440 N 0.00 0.24 -1.89 -0.72 1.35 -1.92 -3.42 112.91 106.55 2qky h THR 440 Ca 0.00 -1.48 -0.69 0.00 -0.55 0.00 0.00 66.41 63.69 2qky h THR 440 Cb 0.00 1.76 -0.15 0.00 -1.73 0.00 0.00 68.15 68.03 2qky h THR 440 CO 0.00 0.14 1.31 -0.54 -0.25 0.00 0.00 175.52 176.18 2qky s LYS 441 N -3.15 3.81 -0.18 4.72 -0.14 -0.86 -4.98 119.74 118.96 2qky s LYS 441 Ca -0.02 -1.96 -0.02 0.00 -1.36 0.00 0.00 55.97 52.62 2qky s LYS 441 Cb 0.09 -5.13 -0.01 0.00 -1.68 0.00 0.00 37.83 31.10 2qky s LYS 441 CO 0.80 -1.91 -0.09 0.08 -0.76 0.00 0.00 175.35 173.46 2qky s VAL 442 N 2.93 3.14 0.14 3.17 1.01 -1.26 -1.90 120.40 127.64 2qky s VAL 442 Ca 0.41 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.87 2qky s VAL 442 Cb -0.02 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2qky s VAL 442 CO -0.04 0.48 -0.04 -0.89 0.00 0.00 0.00 175.10 174.61 2qky s THR 443 N 0.95 3.60 -0.27 3.92 2.01 0.85 -4.96 115.64 121.74 2qky s THR 443 Ca -0.01 -1.34 -0.06 0.00 0.31 0.00 0.00 61.69 60.59 2qky s THR 443 Cb -0.15 -2.76 -0.00 0.00 0.01 0.00 0.00 72.50 69.60 2qky s THR 443 CO -0.00 -0.01 0.05 0.00 -0.69 0.00 0.00 174.62 173.96 2qky n LEU 445 N 4.86 0.66 0.00 0.00 4.77 0.22 -4.30 117.00 123.21 2qky n LEU 445 Ca -0.16 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 2qky n LEU 445 Cb 0.49 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2qky n LEU 445 CO 0.31 0.12 0.06 -1.54 -1.33 0.00 0.00 177.39 175.00 2qky n SER 446 N -0.71 0.00 0.13 -1.43 3.41 -1.20 -4.85 113.62 108.96 2qky n SER 446 Ca 0.16 -1.00 -0.14 0.00 -0.26 0.00 0.00 58.87 57.64 2qky n SER 446 Cb 0.28 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.15 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 -5.17 1.52 -0.29 0.00 -0.58 -1.26 -4.00 120.64 110.85 2qky n GLU 448 Ca -0.09 -1.08 0.04 0.00 -0.42 0.00 0.00 57.16 55.61 2qky n GLU 448 Cb 0.16 -1.48 0.12 0.00 -0.57 0.00 0.00 31.44 29.68 2qky n GLU 448 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2qky h LEU 449 N 2.63 -0.70 -5.65 -4.62 3.38 -1.89 -3.35 115.31 105.12 2qky h LEU 449 Ca 0.00 0.24 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 2qky h LEU 449 Cb 0.67 0.49 -0.18 0.00 0.09 0.00 0.00 40.66 41.73 2qky h LEU 449 CO 0.00 -0.27 -0.42 0.21 0.09 0.00 0.00 178.44 178.05 2qky s ASN 450 N -5.22 -1.37 0.40 -0.43 3.84 -1.26 -5.03 114.94 105.86 2qky s ASN 450 Ca -0.14 -0.95 0.28 0.00 0.21 0.00 0.00 52.86 52.26 2qky s ASN 450 Cb 0.24 1.77 1.35 0.00 -0.55 0.00 0.00 41.25 44.06 2qky s ASN 450 CO 0.76 -0.12 1.86 1.55 -2.79 0.00 0.00 177.10 178.35 2qky h PRO 451 N 6.28 0.00 0.00 0.43 0.13 -1.70 0.41 132.00 137.54 2qky h PRO 451 Ca 0.04 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 2qky h PRO 451 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2qky h PRO 451 CO 0.06 0.00 -0.63 0.39 -0.23 0.00 0.00 178.00 177.59 2qky n GLU 452 N -2.54 0.47 0.22 0.86 1.02 -1.26 -4.45 120.64 114.96 2qky n GLU 452 Ca -0.00 0.53 0.10 0.00 -0.02 0.00 0.00 57.16 57.77 2qky n GLU 452 Cb 0.16 -1.70 0.45 0.00 -0.02 0.00 0.00 31.44 30.33 2qky n GLU 452 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2qky h ARG 453 N -1.00 0.00 -3.68 3.49 2.43 -1.95 -3.40 114.38 110.27 2qky h ARG 453 Ca -0.05 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.64 2qky h ARG 453 Cb 0.63 0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 29.79 2qky h ARG 453 CO -0.03 0.21 -0.77 0.00 -1.51 0.00 0.00 179.97 177.87 2qky n GLN 455 N 5.08 0.58 -3.62 0.00 6.02 -0.85 -4.41 117.38 120.18 2qky n GLN 455 Ca -0.08 -0.63 -0.29 0.00 -0.01 0.00 0.00 57.00 55.99 2qky n GLN 455 Cb 0.49 -0.69 -0.15 0.00 1.02 0.00 0.00 30.24 30.91 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 -0.24 0.97 0.23 1.08 6.14 -1.03 -0.95 117.35 123.54 2qky s TYR 456 Ca 0.00 -1.33 0.09 0.00 0.64 0.00 0.00 57.07 56.47 2qky s TYR 456 Cb 0.00 -1.27 -0.04 0.00 0.42 0.00 0.00 41.96 41.07 2qky s TYR 456 CO 0.00 -0.85 0.00 0.71 0.64 0.00 0.00 175.55 176.05 2qky s TYR 457 N 1.77 2.76 0.12 4.97 2.02 -0.47 -1.95 117.35 126.57 2qky s TYR 457 Ca 0.10 -0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.62 2qky s TYR 457 Cb -0.17 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.08 2qky s TYR 457 CO -0.28 0.58 -0.03 0.45 -1.57 0.00 0.00 175.55 174.69 2qky s SER 458 N -3.41 1.09 0.01 2.29 0.15 -1.20 -4.43 113.70 108.20 2qky s SER 458 Ca 0.30 -1.08 -0.05 0.00 0.70 0.00 0.00 55.95 55.82 2qky s SER 458 Cb -0.07 0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.35 2qky s SER 458 CO 0.19 -0.52 0.08 0.54 1.20 0.00 0.00 173.24 174.73 2qky s VAL 459 N -3.67 0.10 -0.18 4.45 0.11 -1.26 -1.16 120.40 118.79 2qky s VAL 459 Ca 0.17 -0.80 -0.02 0.00 -2.93 0.00 0.00 61.98 58.40 2qky s VAL 459 Cb 0.06 -0.41 0.05 0.00 -1.53 0.00 0.00 36.38 34.55 2qky s VAL 459 CO -0.01 -0.44 0.01 -0.55 -3.33 0.00 0.00 175.10 170.77 2qky s SER 460 N -1.48 2.86 0.49 3.54 0.15 0.32 -4.94 113.70 114.65 2qky s SER 460 Ca -0.14 -0.75 -0.02 0.00 0.70 0.00 0.00 55.95 55.74 2qky s SER 460 Cb -0.08 -0.70 -0.00 0.00 -1.71 0.00 0.00 66.02 63.53 2qky s SER 460 CO 0.00 -0.26 0.74 -0.36 1.20 0.00 0.00 173.24 174.56 2qky s PHE 461 N 1.78 3.24 0.61 3.44 0.40 -1.26 0.24 117.98 126.44 2qky s PHE 461 Ca -0.01 0.37 -0.06 0.00 -0.60 0.00 0.00 56.93 56.63 2qky s PHE 461 Cb -0.16 -2.43 0.13 0.00 0.51 0.00 0.00 43.02 41.07 2qky s PHE 461 CO -0.07 -0.48 0.84 -1.13 0.70 0.00 0.00 175.22 175.08 2qky n SER 462 N -2.22 0.50 -0.19 1.36 3.41 -0.09 -4.82 113.62 111.56 2qky n SER 462 Ca 0.02 -1.57 0.10 0.00 -0.26 0.00 0.00 58.87 57.17 2qky n SER 462 Cb 0.58 -0.60 0.40 0.00 -0.26 0.00 0.00 64.21 64.33 2qky n SER 462 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2qky h LYS 463 N 0.00 0.62 -0.03 4.33 1.79 -1.79 -2.82 116.57 118.67 2qky h LYS 463 Ca -0.27 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.15 2qky h LYS 463 Cb 0.86 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2qky h LYS 463 CO 0.23 0.41 -0.15 0.39 -1.08 0.00 0.00 179.45 179.26 2qky n GLU 464 N -4.50 1.51 -3.57 3.15 -0.58 -1.26 -4.95 120.64 110.43 2qky n GLU 464 Ca 0.13 -2.84 -0.23 0.00 -0.42 0.00 0.00 57.16 53.81 2qky n GLU 464 Cb 0.37 -1.57 0.08 0.00 -0.57 0.00 0.00 31.44 29.75 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 -1.27 -1.43 0.00 0.62 0.00 -1.07 -4.91 120.51 112.46 2qky n ALA 465 Ca 0.18 0.33 -0.07 0.00 0.00 0.00 0.00 53.44 53.88 2qky n ALA 465 Cb 0.69 -5.04 -0.13 0.00 0.00 0.00 0.00 19.45 14.98 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 -2.59 0.00 -4.23 0.00 3.64 -1.82 -3.45 116.57 108.12 2qky h LYS 466 Ca -0.57 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 58.62 2qky h LYS 466 Cb 1.37 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 33.06 2qky h LYS 466 CO 0.55 0.55 -0.40 0.71 -2.27 0.00 0.00 179.45 178.58 2qky s TYR 467 N -2.66 0.89 -0.18 1.91 2.02 -1.26 -1.49 117.35 116.57 2qky s TYR 467 Ca -0.03 -1.15 -0.28 0.00 -0.37 0.00 0.00 57.07 55.24 2qky s TYR 467 Cb 0.08 -0.26 0.09 0.00 -0.40 0.00 0.00 41.96 41.47 2qky s TYR 467 CO 0.82 -0.81 0.82 1.52 -1.57 0.00 0.00 175.55 176.33 2qky s TYR 468 N -4.00 -0.61 -0.36 2.71 1.13 -0.83 -0.91 117.35 114.48 2qky s TYR 468 Ca 0.32 1.29 -0.11 0.00 -1.41 0.00 0.00 57.07 57.16 2qky s TYR 468 Cb 0.03 0.37 0.02 0.00 -1.10 0.00 0.00 41.96 41.28 2qky s TYR 468 CO 0.12 -0.42 0.20 -1.14 -2.51 0.00 0.00 175.55 171.81 2qky s GLN 469 N -0.42 2.94 0.51 -3.49 0.74 0.67 -2.12 119.66 118.50 2qky s GLN 469 Ca -0.03 -1.00 -0.18 0.00 0.05 0.00 0.00 55.36 54.20 2qky s GLN 469 Cb -0.03 -3.71 -0.08 0.00 1.10 0.00 0.00 33.01 30.30 2qky s GLN 469 CO 0.03 -0.64 1.00 -0.51 -0.55 0.00 0.00 175.29 174.62 2qky s LEU 470 N 1.57 3.70 -0.39 3.68 1.43 -1.04 -0.52 118.68 127.12 2qky s LEU 470 Ca 0.03 1.71 0.01 0.00 -1.03 0.00 0.00 54.13 54.85 2qky s LEU 470 Cb -0.19 -4.53 0.15 0.00 0.03 0.00 0.00 46.19 41.65 2qky s LEU 470 CO 0.07 -0.71 0.25 -0.13 0.23 0.00 0.00 176.35 176.06 2qky s ARG 471 N -3.75 0.82 0.03 1.70 0.52 -0.31 -3.29 118.95 114.68 2qky s ARG 471 Ca 0.62 -1.68 -0.30 0.00 -0.52 0.00 0.00 55.73 53.85 2qky s ARG 471 Cb -0.12 -1.59 -0.06 0.00 0.52 0.00 0.00 34.95 33.70 2qky s ARG 471 CO 0.27 -1.24 1.47 0.00 0.02 0.00 0.00 175.30 175.82 2qky n SER 473 N 5.27 3.30 0.00 0.00 3.41 -0.82 -0.31 113.62 124.47 2qky n SER 473 Ca 0.14 -2.96 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 2qky n SER 473 Cb 0.43 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2qky n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qky n GLY 474 N -0.61 3.42 0.23 5.00 0.00 -1.26 -2.11 105.19 109.86 2qky n GLY 474 Ca 0.26 -1.86 0.07 0.00 0.00 0.00 0.00 46.02 44.49 2qky n GLY 474 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qky h PRO 475 N 0.00 0.00 0.00 1.61 0.13 0.12 -2.18 132.00 131.68 2qky h PRO 475 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 2qky h PRO 475 Cb 0.00 0.00 0.16 0.00 0.13 0.00 0.00 31.00 31.29 2qky h PRO 475 CO 0.00 0.18 0.20 0.41 -0.23 0.00 0.00 178.00 178.56 2qky n GLY 476 N -0.90 -2.23 3.67 1.56 0.00 -0.10 -4.49 105.19 102.70 2qky n GLY 476 Ca -0.02 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 2qky n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qky s LEU 477 N 0.00 2.75 0.33 0.99 1.43 -1.26 -4.64 118.68 118.28 2qky s LEU 477 Ca 0.61 2.13 -0.29 0.00 -1.03 0.00 0.00 54.13 55.56 2qky s LEU 477 Cb -0.04 -4.50 -0.11 0.00 0.03 0.00 0.00 46.19 41.57 2qky s LEU 477 CO 0.45 -3.11 1.46 -2.84 0.23 0.00 0.00 176.35 172.54 2qky s PRO 478 N -4.66 4.19 -0.05 1.29 0.02 -1.26 -4.38 135.00 130.16 2qky s PRO 478 Ca 0.66 2.45 0.01 0.00 0.02 0.00 0.00 61.00 64.14 2qky s PRO 478 Cb -0.23 -3.02 0.02 0.00 0.02 0.00 0.00 34.50 31.29 2qky s PRO 478 CO 0.58 -0.45 -0.05 -1.17 -0.33 0.00 0.00 177.00 175.58 2qky s LEU 479 N -1.47 1.31 -0.05 -5.54 2.96 0.57 -4.11 118.68 112.34 2qky s LEU 479 Ca 0.55 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 54.36 2qky s LEU 479 Cb -0.44 -0.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.74 2qky s LEU 479 CO 0.55 -0.06 -0.19 -0.31 -1.32 0.00 0.00 176.35 175.02 2qky s TYR 480 N 0.98 2.57 -0.05 5.38 1.51 0.72 -0.57 117.35 127.89 2qky s TYR 480 Ca -0.10 -0.38 -0.18 0.00 -1.01 0.00 0.00 57.07 55.40 2qky s TYR 480 Cb -0.14 -1.61 0.04 0.00 -0.11 0.00 0.00 41.96 40.13 2qky s TYR 480 CO -0.00 0.02 0.42 0.95 -1.11 0.00 0.00 175.55 175.82 2qky s THR 481 N -0.49 0.03 0.02 -0.71 -4.23 -1.21 -0.77 115.64 108.29 2qky s THR 481 Ca 0.06 -0.27 -0.08 0.00 -1.18 0.00 0.00 61.69 60.22 2qky s THR 481 Cb -0.12 -0.70 -0.05 0.00 1.34 0.00 0.00 72.50 72.98 2qky s THR 481 CO 0.01 -0.15 0.30 -0.22 -0.54 0.00 0.00 174.62 174.03 2qky s LEU 482 N -0.96 4.37 -0.00 4.79 2.96 -0.57 -2.48 118.68 126.78 2qky s LEU 482 Ca -0.10 0.63 -0.00 0.00 -0.22 0.00 0.00 54.13 54.44 2qky s LEU 482 Cb -0.04 -2.74 0.00 0.00 0.50 0.00 0.00 46.19 43.92 2qky s LEU 482 CO 0.05 0.24 0.01 -1.00 -1.32 0.00 0.00 176.35 174.32 2qky s HIS 483 N -1.31 0.00 -0.22 5.38 3.76 -0.90 -0.78 115.29 121.22 2qky s HIS 483 Ca 0.29 0.03 -0.23 0.00 -0.15 0.00 0.00 55.06 55.00 2qky s HIS 483 Cb -0.13 -0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.50 2qky s HIS 483 CO 0.16 -0.02 0.73 0.45 -0.85 0.00 0.00 174.74 175.22 2qky s SER 484 N 0.17 6.75 0.08 1.40 0.15 -0.92 -1.96 113.70 119.38 2qky s SER 484 Ca -0.01 0.92 -0.18 0.00 0.70 0.00 0.00 55.95 57.38 2qky s SER 484 Cb -0.02 -2.39 -0.08 0.00 -1.71 0.00 0.00 66.02 61.81 2qky s SER 484 CO -0.00 -0.40 1.48 0.28 1.20 0.00 0.00 173.24 175.79 2qky h SER 485 N 7.63 0.51 -0.73 5.45 0.02 -1.57 0.85 113.55 125.70 2qky h SER 485 Ca -0.27 -0.37 0.16 0.00 -0.84 0.00 0.00 61.79 60.47 2qky h SER 485 Cb 1.12 -0.14 -0.13 0.00 0.14 0.00 0.00 62.40 63.39 2qky h SER 485 CO 0.82 0.76 -0.11 1.62 -1.14 0.00 0.00 176.83 178.78 2qky h VAL 486 N 0.25 0.30 -0.14 2.27 3.04 -1.89 -2.69 116.25 117.40 2qky h VAL 486 Ca 0.07 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 2qky h VAL 486 Cb 0.54 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.08 2qky h VAL 486 CO 0.03 0.01 0.00 -0.46 -1.01 0.00 0.00 177.57 176.13 2qky n ASN 487 N -5.43 2.20 -3.92 3.17 2.04 -1.23 -5.00 115.26 107.09 2qky n ASN 487 Ca 0.11 -1.71 -0.25 0.00 -0.44 0.00 0.00 54.58 52.29 2qky n ASN 487 Cb 0.41 -0.09 -0.01 0.00 -2.53 0.00 0.00 39.78 37.56 2qky n ASN 487 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2qky n ASP 488 N 0.27 -0.83 -4.95 0.53 10.43 0.29 -4.96 116.55 117.34 2qky n ASP 488 Ca 0.06 -0.96 -0.23 0.00 2.57 0.00 0.00 54.79 56.23 2qky n ASP 488 Cb 0.29 -3.26 -0.02 0.00 1.84 0.00 0.00 41.12 39.97 2qky n ASP 488 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2qky s LYS 489 N -6.47 3.47 -0.58 -1.24 -0.14 -0.80 -4.89 119.74 109.09 2qky s LYS 489 Ca 0.08 -0.49 -0.20 0.00 -1.36 0.00 0.00 55.97 54.00 2qky s LYS 489 Cb -0.04 -2.77 0.09 0.00 -1.68 0.00 0.00 37.83 33.42 2qky s LYS 489 CO 0.87 0.29 0.74 0.20 -0.76 0.00 0.00 175.35 176.69 2qky s GLY 490 N -3.88 1.69 0.03 -3.33 0.00 -1.26 -2.16 107.32 98.41 2qky s GLY 490 Ca 0.38 -2.03 -0.24 0.00 0.00 0.00 0.00 44.72 42.82 2qky s GLY 490 CO 0.32 1.65 1.24 1.41 0.00 0.00 0.00 173.10 177.73 2qky h LEU 491 N 10.18 -0.74 0.00 0.66 3.38 -1.31 -3.49 115.31 123.98 2qky h LEU 491 Ca -0.29 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2qky h LEU 491 Cb 1.09 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2qky h LEU 491 CO 1.09 -0.49 0.11 -2.11 0.09 0.00 0.00 178.44 177.13 2qky n ARG 492 N -4.61 0.42 -4.06 1.13 1.85 -1.18 -5.00 116.66 105.20 2qky n ARG 492 Ca -0.11 -0.82 -0.35 0.00 -1.00 0.00 0.00 57.85 55.57 2qky n ARG 492 Cb 0.35 1.03 -0.13 0.00 -1.05 0.00 0.00 32.46 32.66 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 -2.64 3.78 -0.42 8.89 1.01 -1.26 -1.51 120.40 128.25 2qky s VAL 493 Ca 0.06 -0.37 0.23 0.00 0.00 0.00 0.00 61.98 61.90 2qky s VAL 493 Cb -0.02 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 2qky s VAL 493 CO 0.04 0.43 1.09 0.18 0.00 0.00 0.00 175.10 176.85 2qky n LEU 494 N 4.36 0.72 -3.17 3.92 4.77 0.05 -4.90 117.00 122.77 2qky n LEU 494 Ca -0.17 0.22 0.05 0.00 -0.03 0.00 0.00 56.01 56.07 2qky n LEU 494 Cb 0.52 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2qky n LEU 494 CO 0.31 -0.10 0.86 -0.70 -1.33 0.00 0.00 177.39 176.44 2qky s GLU 495 N -3.28 0.03 -0.04 3.23 2.56 -1.16 -4.94 118.70 115.10 2qky s GLU 495 Ca 0.02 0.07 0.13 0.00 0.00 0.00 0.00 54.97 55.18 2qky s GLU 495 Cb 0.12 0.04 0.39 0.00 2.00 0.00 0.00 34.13 36.68 2qky s GLU 495 CO 0.78 -0.02 1.33 -0.40 -0.56 0.00 0.00 175.26 176.38 2qky n ASP 496 N 4.91 3.28 -3.13 -1.70 5.75 -1.26 -0.20 116.55 124.20 2qky n ASP 496 Ca -0.08 -2.22 -0.16 0.00 -0.01 0.00 0.00 54.79 52.33 2qky n ASP 496 Cb 0.55 -0.33 -0.02 0.00 -1.03 0.00 0.00 41.12 40.30 2qky n ASP 496 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2qky n ASN 497 N 0.42 -2.08 0.11 -1.12 3.02 -1.26 -4.79 115.26 109.56 2qky n ASN 497 Ca 0.15 -0.11 0.02 0.00 -0.03 0.00 0.00 54.58 54.62 2qky n ASN 497 Cb 0.55 -1.83 0.39 0.00 -0.61 0.00 0.00 39.78 38.28 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 -0.40 0.24 0.29 6.41 4.64 -1.93 -2.43 113.55 120.38 2qky h SER 498 Ca -0.26 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 2qky h SER 498 Cb 1.17 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2qky h SER 498 CO 0.35 0.39 -0.14 0.00 -0.87 0.00 0.00 176.83 176.56 2qky h ALA 499 N 1.64 -0.39 -0.78 5.18 0.00 -2.00 -1.53 119.26 121.37 2qky h ALA 499 Ca 0.05 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2qky h ALA 499 Cb 0.36 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2qky h ALA 499 CO 0.02 -0.69 0.51 1.25 0.00 0.00 0.00 179.25 180.34 2qky h LEU 500 N -0.45 0.74 -0.59 0.00 5.85 -1.87 -1.48 115.31 117.51 2qky h LEU 500 Ca -0.04 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 2qky h LEU 500 Cb 0.34 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2qky h LEU 500 CO 0.07 0.48 0.19 -0.78 -0.34 0.00 0.00 178.44 178.05 2qky h ASP 501 N 0.84 0.86 -0.21 1.25 3.58 -0.98 0.24 116.42 121.99 2qky h ASP 501 Ca 0.34 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 2qky h ASP 501 Cb 0.24 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2qky h ASP 501 CO -0.12 0.83 0.13 0.50 -2.88 0.00 0.00 179.24 177.70 2qky h LYS 502 N 0.83 0.28 -0.34 0.28 3.64 -0.29 -2.56 116.57 118.42 2qky h LYS 502 Ca 0.19 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 2qky h LYS 502 Cb 0.28 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2qky h LYS 502 CO -0.01 0.22 0.07 0.52 -2.27 0.00 0.00 179.45 177.98 2qky h MET 503 N 0.26 0.55 0.00 1.90 2.86 -1.16 -2.79 114.93 116.54 2qky h MET 503 Ca 0.08 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2qky h MET 503 Cb 0.01 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.60 2qky h MET 503 CO -0.01 0.62 0.00 -0.07 1.06 0.00 0.00 176.91 178.51 2qky h LEU 504 N 0.39 0.00 -1.34 1.22 3.38 -0.80 -1.45 115.31 116.71 2qky h LEU 504 Ca 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2qky h LEU 504 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2qky h LEU 504 CO 0.00 0.00 -0.32 1.56 0.09 0.00 0.00 178.44 179.77 2qky h GLN 505 N 0.00 0.00 -0.12 1.13 1.08 -1.17 -2.87 115.11 113.16 2qky h GLN 505 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2qky h GLN 505 Cb 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2qky h GLN 505 CO 0.00 0.32 0.00 -1.71 -0.95 0.00 0.00 178.83 176.49 2qky n ASN 506 N -3.94 1.46 -4.39 1.46 4.05 -0.54 -4.89 115.26 108.46 2qky n ASN 506 Ca -0.02 -1.62 -0.26 0.00 0.45 0.00 0.00 54.58 53.13 2qky n ASN 506 Cb 0.39 -0.07 -0.12 0.00 1.23 0.00 0.00 39.78 41.21 2qky n ASN 506 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2qky s VAL 507 N -1.86 2.19 -0.68 3.44 0.11 -1.09 -3.01 120.40 119.51 2qky s VAL 507 Ca 0.34 -1.95 -0.23 0.00 -2.93 0.00 0.00 61.98 57.21 2qky s VAL 507 Cb 0.18 -2.02 0.07 0.00 -1.53 0.00 0.00 36.38 33.08 2qky s VAL 507 CO 0.28 -0.13 0.99 -1.10 -3.33 0.00 0.00 175.10 171.80 2qky s GLN 508 N -2.59 3.14 0.22 1.54 -0.21 0.51 -4.93 119.66 117.34 2qky s GLN 508 Ca 0.18 -0.85 -0.06 0.00 0.02 0.00 0.00 55.36 54.66 2qky s GLN 508 Cb -0.08 -4.26 -0.06 0.00 1.00 0.00 0.00 33.01 29.61 2qky s GLN 508 CO 0.08 -1.83 0.48 -1.64 -2.12 0.00 0.00 175.29 170.26 2qky s MET 509 N 4.09 3.66 0.54 2.91 -1.94 -1.26 -4.00 119.30 123.31 2qky s MET 509 Ca 0.23 0.01 -0.07 0.00 -1.71 0.00 0.00 55.69 54.16 2qky s MET 509 Cb -0.16 -2.72 -0.03 0.00 2.01 0.00 0.00 34.83 33.93 2qky s MET 509 CO 0.09 0.33 0.88 -1.25 -0.01 0.00 0.00 175.02 175.06 2qky s PRO 510 N -3.07 3.41 0.56 2.03 0.04 -1.26 -3.98 135.00 132.73 2qky s PRO 510 Ca 0.43 0.30 0.07 0.00 0.04 0.00 0.00 61.00 61.85 2qky s PRO 510 Cb -0.11 -2.27 0.07 0.00 0.04 0.00 0.00 34.50 32.23 2qky s PRO 510 CO 0.26 -0.41 0.77 -1.54 0.04 0.00 0.00 177.00 176.12 2qky s SER 511 N -4.17 5.13 -0.05 6.66 1.04 0.12 -4.89 113.70 117.54 2qky s SER 511 Ca 0.51 -0.64 -0.02 0.00 0.48 0.00 0.00 55.95 56.28 2qky s SER 511 Cb -0.11 -0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.02 2qky s SER 511 CO 0.47 -1.28 0.10 -0.75 0.98 0.00 0.00 173.24 172.77 2qky s LYS 512 N -4.67 0.06 -0.10 4.02 2.20 -1.26 -0.48 119.74 119.51 2qky s LYS 512 Ca 0.61 0.28 -0.01 0.00 -0.36 0.00 0.00 55.97 56.49 2qky s LYS 512 Cb -0.07 -0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 36.06 2qky s LYS 512 CO 0.38 -0.14 -0.06 0.21 -0.36 0.00 0.00 175.35 175.38 2qky s LYS 513 N 0.98 3.08 -0.40 4.03 2.20 -0.51 -4.93 119.74 124.19 2qky s LYS 513 Ca -0.08 -0.54 0.02 0.00 -0.36 0.00 0.00 55.97 55.01 2qky s LYS 513 Cb -0.10 -2.70 0.12 0.00 -1.51 0.00 0.00 37.83 33.63 2qky s LYS 513 CO -0.04 0.52 0.19 -1.17 -0.36 0.00 0.00 175.35 174.48 2qky s LEU 514 N -0.40 2.85 0.13 5.43 2.96 -1.26 -1.87 118.68 126.51 2qky s LEU 514 Ca 0.06 -2.36 -0.06 0.00 -0.22 0.00 0.00 54.13 51.55 2qky s LEU 514 Cb -0.12 -1.08 -0.02 0.00 0.50 0.00 0.00 46.19 45.47 2qky s LEU 514 CO 0.02 -0.31 0.18 -0.62 -1.32 0.00 0.00 176.35 174.30 2qky s ASP 515 N 0.68 0.16 0.35 3.68 3.68 -1.14 -4.98 116.67 119.11 2qky s ASP 515 Ca 0.15 -0.94 0.08 0.00 2.13 0.00 0.00 52.55 53.97 2qky s ASP 515 Cb -0.22 0.36 -0.05 0.00 -1.45 0.00 0.00 42.92 41.56 2qky s ASP 515 CO -0.07 -0.80 0.09 0.72 0.13 0.00 0.00 175.17 175.24 2qky s PHE 516 N -3.97 2.61 0.20 -5.34 -0.71 -1.26 -2.00 117.98 107.50 2qky s PHE 516 Ca 0.17 -0.45 0.10 0.00 -1.04 0.00 0.00 56.93 55.71 2qky s PHE 516 Cb 0.05 -1.63 -0.04 0.00 -1.21 0.00 0.00 43.02 40.19 2qky s PHE 516 CO -0.02 0.38 -0.20 0.96 -1.34 0.00 0.00 175.22 175.00 2qky s ILE 517 N -2.50 2.08 -0.29 -4.49 -4.36 0.16 -4.97 121.20 106.82 2qky s ILE 517 Ca 0.37 -2.06 -0.05 0.00 -0.26 0.00 0.00 60.65 58.65 2qky s ILE 517 Cb -0.00 -2.02 0.02 0.00 1.25 0.00 0.00 42.46 41.72 2qky s ILE 517 CO 0.21 -0.29 0.04 -0.63 0.24 0.00 0.00 174.94 174.51 2qky s ILE 518 N -2.09 3.57 -0.15 8.37 1.01 -1.26 -0.84 121.20 129.81 2qky s ILE 518 Ca 0.20 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 2qky s ILE 518 Cb -0.06 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 2qky s ILE 518 CO 0.09 0.03 -0.12 -0.76 0.00 0.00 0.00 174.94 174.18 2qky s LEU 519 N 1.41 2.75 -1.18 2.97 1.43 -0.75 -4.74 118.68 120.56 2qky s LEU 519 Ca 0.00 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 2qky s LEU 519 Cb -0.18 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 2qky s LEU 519 CO 0.01 0.13 0.89 -3.20 0.23 0.00 0.00 176.35 174.41 2qky n ASN 520 N 3.75 -3.18 0.00 2.29 5.15 -1.26 -2.34 115.26 119.67 2qky n ASN 520 Ca -0.18 -0.72 0.00 0.00 -0.60 0.00 0.00 54.58 53.08 2qky n ASN 520 Cb 0.52 -4.77 0.00 0.00 -0.53 0.00 0.00 39.78 35.00 2qky n ASN 520 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2qky n GLU 521 N -3.95 0.00 -4.81 1.20 1.02 -1.26 -4.86 120.64 107.98 2qky n GLU 521 Ca -0.23 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.60 2qky n GLU 521 Cb 0.65 -3.38 -0.13 0.00 -0.02 0.00 0.00 31.44 28.56 2qky n GLU 521 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2qky s THR 522 N -0.68 2.91 -0.20 2.62 -4.23 -0.99 -5.11 115.64 109.96 2qky s THR 522 Ca 0.00 -0.94 -0.10 0.00 -1.18 0.00 0.00 61.69 59.47 2qky s THR 522 Cb 0.00 -2.17 -0.05 0.00 1.34 0.00 0.00 72.50 71.62 2qky s THR 522 CO 0.00 0.48 0.14 -1.59 -0.54 0.00 0.00 174.62 173.11 2qky s LYS 523 N -1.04 4.19 -0.11 3.99 -2.85 -1.26 -1.81 119.74 120.85 2qky s LYS 523 Ca 0.13 -0.20 -0.00 0.00 -1.00 0.00 0.00 55.97 54.90 2qky s LYS 523 Cb -0.11 -3.43 -0.02 0.00 -2.06 0.00 0.00 37.83 32.21 2qky s LYS 523 CO 0.03 0.28 -0.09 -0.06 0.10 0.00 0.00 175.35 175.61 2qky s PHE 524 N 0.42 2.89 0.45 1.78 0.40 -0.02 -4.96 117.98 118.93 2qky s PHE 524 Ca 0.09 -0.30 -0.02 0.00 -0.60 0.00 0.00 56.93 56.10 2qky s PHE 524 Cb -0.11 -1.81 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 2qky s PHE 524 CO -0.01 0.04 0.69 -1.58 0.70 0.00 0.00 175.22 175.06 2qky s TRP 525 N -0.11 3.38 0.36 0.36 0.52 -1.26 -0.67 118.94 121.52 2qky s TRP 525 Ca 0.00 0.44 -0.11 0.00 0.02 0.00 0.00 56.10 56.45 2qky s TRP 525 Cb -0.13 -2.25 0.04 0.00 -1.15 0.00 0.00 33.47 29.98 2qky s TRP 525 CO 0.03 -0.26 0.67 2.48 0.02 0.00 0.00 176.95 179.89 2qky n TYR 526 N -2.10 -2.06 -3.64 -1.98 0.18 -0.85 -1.88 117.16 104.84 2qky n TYR 526 Ca -0.00 -1.89 -0.15 0.00 1.88 0.00 0.00 57.90 57.74 2qky n TYR 526 Cb 0.57 0.78 -0.08 0.00 -0.38 0.00 0.00 39.34 40.24 2qky n TYR 526 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 2qky s GLN 527 N -2.27 0.80 -0.01 -3.48 -2.07 -1.01 -2.87 119.66 108.75 2qky s GLN 527 Ca 0.18 0.66 0.05 0.00 -1.82 0.00 0.00 55.36 54.43 2qky s GLN 527 Cb -0.04 0.39 -0.01 0.00 -1.09 0.00 0.00 33.01 32.26 2qky s GLN 527 CO 0.14 -0.15 -0.17 -1.64 -1.32 0.00 0.00 175.29 172.14 2qky s MET 528 N -0.13 1.42 -0.67 9.60 -1.94 -0.78 -0.67 119.30 126.13 2qky s MET 528 Ca -0.03 -0.62 -0.15 0.00 -1.71 0.00 0.00 55.69 53.18 2qky s MET 528 Cb -0.03 -1.37 0.17 0.00 2.01 0.00 0.00 34.83 35.61 2qky s MET 528 CO 0.03 0.37 0.62 0.42 -0.01 0.00 0.00 175.02 176.45 2qky s ILE 529 N -0.39 5.37 0.15 2.53 -1.09 0.90 -1.42 121.20 127.25 2qky s ILE 529 Ca 0.06 -1.97 -0.29 0.00 -2.23 0.00 0.00 60.65 56.22 2qky s ILE 529 Cb -0.07 -4.38 -0.07 0.00 -1.58 0.00 0.00 42.46 36.36 2qky s ILE 529 CO -0.01 -0.94 0.91 -0.76 -1.23 0.00 0.00 174.94 172.91 2qky s LEU 530 N 0.91 4.56 0.63 2.97 1.43 0.37 -2.55 118.68 127.00 2qky s LEU 530 Ca 0.10 1.79 -0.17 0.00 -1.03 0.00 0.00 54.13 54.82 2qky s LEU 530 Cb -0.21 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 2qky s LEU 530 CO -0.03 0.05 1.17 -2.84 0.23 0.00 0.00 176.35 174.94 2qky s PRO 531 N -0.54 2.82 1.04 1.29 0.02 -1.26 0.16 135.00 138.53 2qky s PRO 531 Ca 0.43 1.67 -0.17 0.00 0.02 0.00 0.00 61.00 62.95 2qky s PRO 531 Cb -0.24 -1.93 0.03 0.00 0.02 0.00 0.00 34.50 32.39 2qky s PRO 531 CO 0.29 -1.29 -0.05 -2.30 -0.33 0.00 0.00 177.00 173.33 2qky n PRO 532 N -1.97 -0.86 -4.24 5.54 -0.02 -1.26 -2.12 135.00 130.07 2qky n PRO 532 Ca 0.12 -0.23 -0.36 0.00 -2.02 0.00 0.00 63.50 61.02 2qky n PRO 532 Cb 0.50 -1.64 -0.08 0.00 -0.02 0.00 0.00 33.50 32.27 2qky n PRO 532 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2qky n HIS 533 N -3.89 -1.09 -1.73 6.00 8.25 -1.26 -4.75 115.22 116.76 2qky n HIS 533 Ca 0.02 0.61 -0.42 0.00 -0.26 0.00 0.00 57.72 57.67 2qky n HIS 533 Cb 0.60 -1.98 -0.00 0.00 1.12 0.00 0.00 29.99 29.72 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 -3.92 2.54 -3.76 4.41 7.35 -0.90 -4.96 117.46 118.21 2qky n PHE 534 Ca -0.03 0.51 -0.29 0.00 -0.76 0.00 0.00 57.45 56.89 2qky n PHE 534 Cb 0.49 -2.46 -0.16 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 -0.23 3.48 0.19 -2.13 3.68 -1.26 -4.99 116.67 115.42 2qky s ASP 535 Ca 0.55 -1.19 0.16 0.00 2.13 0.00 0.00 52.55 54.20 2qky s ASP 535 Cb -0.54 -0.78 0.78 0.00 -1.45 0.00 0.00 42.92 40.93 2qky s ASP 535 CO 0.63 -0.34 1.48 2.29 0.13 0.00 0.00 175.17 179.36 2qky n LYS 536 N 4.92 0.10 0.21 4.34 2.85 -1.26 -2.21 118.16 127.11 2qky n LYS 536 Ca -0.07 0.52 0.09 0.00 -1.05 0.00 0.00 58.31 57.80 2qky n LYS 536 Cb 0.45 -1.78 0.39 0.00 -0.65 0.00 0.00 35.03 33.44 2qky n LYS 536 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2qky h SER 537 N 0.00 0.00 -6.23 -5.58 4.64 -1.94 -3.38 113.55 101.06 2qky h SER 537 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 2qky h SER 537 Cb 0.10 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.23 2qky h SER 537 CO 0.00 0.26 -0.01 0.29 -0.87 0.00 0.00 176.83 176.50 2qky n LYS 538 N -3.37 0.40 -3.94 4.77 5.02 -0.94 -4.99 118.16 115.11 2qky n LYS 538 Ca 0.00 -2.95 -0.35 0.00 -2.02 0.00 0.00 58.31 53.00 2qky n LYS 538 Cb 0.48 -0.36 -0.14 0.00 -0.02 0.00 0.00 35.03 34.98 2qky n LYS 538 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2qky s LYS 539 N -4.72 2.54 0.14 1.97 -0.14 -1.26 -4.17 119.74 114.10 2qky s LYS 539 Ca 0.61 -1.18 -0.05 0.00 -1.36 0.00 0.00 55.97 53.99 2qky s LYS 539 Cb -0.04 -3.09 -0.06 0.00 -1.68 0.00 0.00 37.83 32.96 2qky s LYS 539 CO 0.39 -0.54 0.38 0.71 -0.76 0.00 0.00 175.35 175.53 2qky s TYR 540 N 1.26 3.48 0.52 3.18 4.12 0.74 -4.49 117.35 126.17 2qky s TYR 540 Ca -0.04 0.58 -0.18 0.00 0.02 0.00 0.00 57.07 57.45 2qky s TYR 540 Cb -0.19 -2.02 -0.07 0.00 -1.52 0.00 0.00 41.96 38.16 2qky s TYR 540 CO -0.02 0.44 1.03 -1.25 0.02 0.00 0.00 175.55 175.77 2qky s PRO 541 N -2.57 3.67 -0.04 -1.71 0.04 -1.26 -0.16 135.00 132.97 2qky s PRO 541 Ca 0.40 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.72 2qky s PRO 541 Cb -0.12 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2qky s PRO 541 CO 0.24 -0.53 -0.12 -1.17 0.04 0.00 0.00 177.00 175.46 2qky s LEU 542 N -3.90 1.80 -0.31 -3.56 0.20 -0.85 -0.73 118.68 111.33 2qky s LEU 542 Ca 0.65 -0.25 0.02 0.00 0.69 0.00 0.00 54.13 55.23 2qky s LEU 542 Cb -0.15 -0.72 0.08 0.00 -0.43 0.00 0.00 46.19 44.97 2qky s LEU 542 CO 0.27 0.09 0.00 -0.22 -0.29 0.00 0.00 176.35 176.20 2qky s LEU 543 N 0.22 4.17 -0.60 -0.68 2.96 -0.72 -1.10 118.68 122.93 2qky s LEU 543 Ca -0.05 -1.68 -0.28 0.00 -0.22 0.00 0.00 54.13 51.90 2qky s LEU 543 Cb -0.11 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.96 2qky s LEU 543 CO 0.01 -0.31 1.41 -0.22 -1.32 0.00 0.00 176.35 175.93 2qky s LEU 544 N 1.08 3.35 0.02 -0.68 2.96 -0.55 -2.00 118.68 122.85 2qky s LEU 544 Ca -0.00 0.14 -0.30 0.00 -0.22 0.00 0.00 54.13 53.75 2qky s LEU 544 Cb -0.20 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 2qky s LEU 544 CO -0.05 -1.77 1.05 -0.62 -1.32 0.00 0.00 176.35 173.63 2qky s ASP 545 N 4.51 7.28 -0.12 3.68 -1.08 0.11 -2.52 116.67 128.53 2qky s ASP 545 Ca 0.50 1.77 -0.07 0.00 -0.52 0.00 0.00 52.55 54.23 2qky s ASP 545 Cb -0.10 -2.57 0.05 0.00 -1.46 0.00 0.00 42.92 38.83 2qky s ASP 545 CO 0.23 -0.32 0.29 0.54 0.52 0.00 0.00 175.17 176.43 2qky s VAL 546 N 1.01 -0.03 -0.04 1.11 0.11 -0.93 -4.12 120.40 117.51 2qky s VAL 546 Ca 0.54 0.10 -0.09 0.00 -2.93 0.00 0.00 61.98 59.61 2qky s VAL 546 Cb -0.24 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 2qky s VAL 546 CO 0.28 0.04 -0.17 0.00 -3.33 0.00 0.00 175.10 171.93 2qky n TYR 547 N 3.96 0.00 -0.05 1.54 4.19 -1.26 -4.36 117.16 121.18 2qky n TYR 547 Ca -0.22 0.00 0.00 0.00 3.31 0.00 0.00 57.90 60.99 2qky n TYR 547 Cb 0.55 -0.26 0.00 0.00 0.49 0.00 0.00 39.34 40.12 2qky n TYR 547 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2qky n ALA 548 N -3.94 0.00 -1.37 2.98 0.00 -1.26 -3.14 120.51 113.78 2qky n ALA 548 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.00 2qky n ALA 548 Cb 0.28 -0.24 0.08 0.00 0.00 0.00 0.00 19.45 19.57 2qky n ALA 548 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qky n GLY 549 N -2.00 -0.62 3.49 0.00 0.00 -1.26 -4.75 105.19 100.05 2qky n GLY 549 Ca 0.00 -0.32 -0.46 0.00 0.00 0.00 0.00 46.02 45.24 2qky n GLY 549 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qky n PRO 550 N -1.56 0.66 -3.72 1.61 -0.02 -1.26 -1.78 135.00 128.94 2qky n PRO 550 Ca 0.13 0.23 -0.22 0.00 -2.02 0.00 0.00 63.50 61.62 2qky n PRO 550 Cb 0.49 -1.42 0.03 0.00 -0.02 0.00 0.00 33.50 32.59 2qky n PRO 550 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qky s SER 552 N -4.27 4.55 -0.10 0.00 1.04 -0.73 -4.29 113.70 109.89 2qky s SER 552 Ca 0.06 -0.51 -0.03 0.00 0.48 0.00 0.00 55.95 55.94 2qky s SER 552 Cb -0.03 -0.88 0.05 0.00 0.10 0.00 0.00 66.02 65.26 2qky s SER 552 CO 0.81 0.07 0.12 -1.58 0.98 0.00 0.00 173.24 173.65 2qky s GLN 553 N -3.09 0.02 0.00 4.02 0.74 -1.26 -1.15 119.66 118.95 2qky s GLN 553 Ca 0.28 0.34 0.06 0.00 0.05 0.00 0.00 55.36 56.08 2qky s GLN 553 Cb -0.08 -0.76 -0.03 0.00 1.10 0.00 0.00 33.01 33.24 2qky s GLN 553 CO 0.18 -0.42 0.36 1.63 -0.55 0.00 0.00 175.29 176.48 2qky n LYS 554 N 5.31 3.77 -3.80 1.67 4.76 -1.26 -4.88 118.16 123.73 2qky n LYS 554 Ca -0.05 -0.23 -0.36 0.00 -2.87 0.00 0.00 58.31 54.80 2qky n LYS 554 Cb 0.50 -0.85 -0.13 0.00 -1.84 0.00 0.00 35.03 32.70 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 -1.24 3.01 0.08 7.82 0.00 -1.26 -4.79 121.76 125.36 2qky s ALA 555 Ca 0.03 -1.36 -0.24 0.00 0.00 0.00 0.00 51.96 50.40 2qky s ALA 555 Cb 0.04 -2.03 0.06 0.00 0.00 0.00 0.00 23.12 21.20 2qky s ALA 555 CO 0.18 -0.77 0.57 0.16 0.00 0.00 0.00 175.76 175.90 2qky s ASP 556 N 1.50 -0.51 0.00 0.00 1.47 -1.26 -4.37 116.67 113.50 2qky s ASP 556 Ca 0.03 0.17 0.00 0.00 1.18 0.00 0.00 52.55 53.93 2qky s ASP 556 Cb -0.16 0.54 0.00 0.00 -0.34 0.00 0.00 42.92 42.95 2qky s ASP 556 CO 0.01 -0.80 0.70 0.35 0.68 0.00 0.00 175.17 176.11 2qky n THR 557 N 0.17 0.00 -2.50 2.11 -2.24 -0.32 -4.88 114.28 106.62 2qky n THR 557 Ca -0.18 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 2qky n THR 557 Cb 0.62 -0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.72 3.91 -0.19 2.28 1.01 -1.26 0.60 120.40 125.03 2qky s VAL 558 Ca 0.00 1.59 -0.22 0.00 0.00 0.00 0.00 61.98 63.35 2qky s VAL 558 Cb 0.00 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2qky s VAL 558 CO 0.00 0.25 0.69 0.12 0.00 0.00 0.00 175.10 176.15 2qky s PHE 559 N 0.01 3.38 -0.01 5.22 5.36 -0.90 -4.88 117.98 126.16 2qky s PHE 559 Ca 0.51 1.01 0.03 0.00 -0.96 0.00 0.00 56.93 57.52 2qky s PHE 559 Cb -0.29 -2.86 -0.01 0.00 -0.34 0.00 0.00 43.02 39.52 2qky s PHE 559 CO 0.34 -0.20 -0.10 1.03 -1.46 0.00 0.00 175.22 174.83 2qky s ARG 560 N 2.02 0.82 -0.49 10.12 0.52 -1.26 -4.88 118.95 125.79 2qky s ARG 560 Ca 0.31 -0.34 -0.02 0.00 -0.52 0.00 0.00 55.73 55.15 2qky s ARG 560 Cb -0.16 -0.79 0.13 0.00 0.52 0.00 0.00 34.95 34.65 2qky s ARG 560 CO 0.11 0.20 0.29 -0.51 0.02 0.00 0.00 175.30 175.40 2qky s LEU 561 N -0.17 5.19 0.00 2.53 1.43 -1.26 -4.81 118.68 121.59 2qky s LEU 561 Ca 0.03 -2.39 0.00 0.00 -1.03 0.00 0.00 54.13 50.74 2qky s LEU 561 Cb -0.05 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.35 2qky s LEU 561 CO -0.00 -0.46 0.00 -0.46 0.23 0.00 0.00 176.35 175.66 2qky n ASN 562 N 4.11 0.00 -0.30 2.29 0.23 -1.26 -4.98 115.26 115.35 2qky n ASN 562 Ca 0.02 -0.37 0.15 0.00 -0.53 0.00 0.00 54.58 53.86 2qky n ASN 562 Cb 0.40 0.00 0.41 0.00 -2.08 0.00 0.00 39.78 38.51 2qky n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2qky h TRP 563 N 0.37 0.81 -0.28 -2.53 7.01 -1.97 0.22 115.95 119.57 2qky h TRP 563 Ca 0.00 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 60.95 2qky h TRP 563 Cb 0.00 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 26.80 2qky h TRP 563 CO 0.00 0.21 -0.14 0.00 -2.79 0.00 0.00 178.44 175.72 2qky h ALA 564 N 1.62 1.24 -0.62 2.65 0.00 -1.96 -0.93 119.26 121.25 2qky h ALA 564 Ca 0.51 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2qky h ALA 564 Cb 0.99 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2qky h ALA 564 CO -0.26 0.50 0.28 1.15 0.00 0.00 0.00 179.25 180.92 2qky h THR 565 N 0.45 1.21 -0.03 0.00 2.02 -0.88 -0.21 112.91 115.47 2qky h THR 565 Ca 0.08 -0.60 -0.10 0.00 0.77 0.00 0.00 66.41 66.56 2qky h THR 565 Cb 0.51 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2qky h THR 565 CO 0.03 0.25 -0.36 0.22 0.37 0.00 0.00 175.52 176.02 2qky h TYR 566 N 0.88 0.43 -0.41 3.16 3.20 -1.29 -0.89 116.97 122.05 2qky h TYR 566 Ca 0.21 -0.21 0.06 0.00 3.14 0.00 0.00 58.73 61.93 2qky h TYR 566 Cb 0.11 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 2qky h TYR 566 CO 0.01 0.99 0.10 -0.07 -1.64 0.00 0.00 178.16 177.55 2qky h LEU 567 N -0.25 0.06 0.10 2.82 3.38 -0.89 0.17 115.31 120.69 2qky h LEU 567 Ca -0.04 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2qky h LEU 567 Cb 1.06 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2qky h LEU 567 CO 0.07 0.07 -0.05 0.00 0.09 0.00 0.00 178.44 178.62 2qky h ALA 568 N 1.29 -0.13 -0.40 1.53 0.00 -1.12 -1.27 119.26 119.17 2qky h ALA 568 Ca 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2qky h ALA 568 Cb 0.22 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2qky h ALA 568 CO -0.24 -0.28 0.16 1.03 0.00 0.00 0.00 179.25 179.92 2qky h SER 569 N -0.73 0.50 0.00 0.00 0.87 -1.04 -2.71 113.55 110.45 2qky h SER 569 Ca -0.01 -0.05 -0.33 0.00 -1.23 0.00 0.00 61.79 60.17 2qky h SER 569 Cb 0.55 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.34 2qky h SER 569 CO 0.02 0.46 -2.07 0.41 -0.53 0.00 0.00 176.83 175.12 2qky n THR 570 N -4.38 1.24 0.35 2.23 -1.04 0.59 -4.55 114.28 108.72 2qky n THR 570 Ca 0.03 -0.25 0.05 0.00 -2.04 0.00 0.00 64.05 61.84 2qky n THR 570 Cb 0.14 -1.85 0.20 0.00 -1.82 0.00 0.00 70.33 67.01 2qky n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2qky n GLU 571 N -4.03 2.51 -3.30 -2.82 -0.58 -0.52 -4.96 120.64 106.94 2qky n GLU 571 Ca -0.40 -1.61 -0.15 0.00 -0.42 0.00 0.00 57.16 54.58 2qky n GLU 571 Cb 0.76 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 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 0.54 -2.76 -3.99 1.62 4.13 -0.96 -4.90 115.26 108.94 2qky n ASN 572 Ca 0.15 -0.59 -0.25 0.00 1.68 0.00 0.00 54.58 55.57 2qky n ASN 572 Cb 0.54 -0.92 -0.17 0.00 -1.54 0.00 0.00 39.78 37.69 2qky n ASN 572 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2qky s ILE 573 N -2.67 1.07 -0.56 2.41 1.01 -1.15 -4.31 121.20 117.00 2qky s ILE 573 Ca 0.02 -0.42 -0.28 0.00 0.00 0.00 0.00 60.65 59.97 2qky s ILE 573 Cb -0.01 -1.01 0.03 0.00 0.01 0.00 0.00 42.46 41.48 2qky s ILE 573 CO 0.53 0.35 1.17 -0.63 0.00 0.00 0.00 174.94 176.36 2qky s ILE 574 N 0.88 4.07 0.08 2.92 1.01 0.09 -3.75 121.20 126.51 2qky s ILE 574 Ca -0.11 0.95 -0.14 0.00 0.00 0.00 0.00 60.65 61.35 2qky s ILE 574 Cb -0.15 -4.69 -0.06 0.00 0.01 0.00 0.00 42.46 37.56 2qky s ILE 574 CO 0.01 -1.26 0.48 -0.69 0.00 0.00 0.00 174.94 173.48 2qky s VAL 575 N 4.81 4.93 0.04 2.92 1.01 -1.06 -1.76 120.40 131.29 2qky s VAL 575 Ca 0.44 0.82 -0.18 0.00 0.00 0.00 0.00 61.98 63.05 2qky s VAL 575 Cb -0.07 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.60 2qky s VAL 575 CO 0.27 0.39 0.41 0.00 0.00 0.00 0.00 175.10 176.17 2qky s ALA 576 N -1.29 -1.01 0.28 5.51 0.00 -0.85 0.31 121.76 124.71 2qky s ALA 576 Ca 0.32 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.63 2qky s ALA 576 Cb -0.16 0.34 -0.06 0.00 0.00 0.00 0.00 23.12 23.24 2qky s ALA 576 CO 0.17 -0.45 0.05 -1.12 0.00 0.00 0.00 175.76 174.41 2qky s SER 577 N -1.99 1.97 -0.24 0.00 0.01 0.16 0.04 113.70 113.65 2qky s SER 577 Ca -0.05 -1.33 -0.08 0.00 1.31 0.00 0.00 55.95 55.79 2qky s SER 577 Cb -0.01 -0.00 0.10 0.00 0.21 0.00 0.00 66.02 66.32 2qky s SER 577 CO -0.02 -0.60 0.51 0.12 0.41 0.00 0.00 173.24 173.66 2qky s PHE 578 N -3.43 -1.01 -0.62 2.43 5.36 -1.26 -2.40 117.98 117.05 2qky s PHE 578 Ca 0.35 1.84 -0.20 0.00 -0.96 0.00 0.00 56.93 57.95 2qky s PHE 578 Cb 0.08 0.50 0.09 0.00 -0.34 0.00 0.00 43.02 43.35 2qky s PHE 578 CO 0.13 -0.55 0.80 -0.51 -1.46 0.00 0.00 175.22 173.63 2qky s ASP 579 N 2.68 6.19 0.00 6.13 1.01 -0.79 -4.88 116.67 127.02 2qky s ASP 579 Ca -0.04 -1.30 0.00 0.00 0.71 0.00 0.00 52.55 51.93 2qky s ASP 579 Cb -0.12 -2.34 0.00 0.00 1.01 0.00 0.00 42.92 41.47 2qky s ASP 579 CO -0.15 -1.23 0.00 0.61 0.21 0.00 0.00 175.17 174.61 2qky n GLY 580 N 5.30 2.05 3.64 0.21 0.00 -1.26 -4.10 105.19 111.03 2qky n GLY 580 Ca -0.07 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 2qky n GLY 580 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qky s ARG 581 N 4.51 3.90 0.00 1.61 0.52 -1.26 -1.56 118.95 126.67 2qky s ARG 581 Ca 0.00 2.19 0.00 0.00 -0.52 0.00 0.00 55.73 57.40 2qky s ARG 581 Cb 0.00 -4.13 0.00 0.00 0.52 0.00 0.00 34.95 31.34 2qky s ARG 581 CO 0.00 -1.20 0.00 0.41 0.02 0.00 0.00 175.30 174.53 2qky n GLY 582 N 4.67 1.84 3.40 -3.53 0.00 -0.11 -3.74 105.19 107.73 2qky n GLY 582 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 2qky n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qky s SER 583 N -1.88 -0.49 0.20 1.61 1.04 -0.60 0.12 113.70 113.69 2qky s SER 583 Ca 0.00 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.13 2qky s SER 583 Cb 0.00 -0.95 -0.00 0.00 0.10 0.00 0.00 66.02 65.17 2qky s SER 583 CO 0.00 -5.00 0.02 0.61 0.98 0.00 0.00 173.24 169.85 2qky n GLY 584 N 0.48 3.89 3.70 7.32 0.00 -0.30 -3.76 105.19 116.51 2qky n GLY 584 Ca 0.14 -2.21 -0.24 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.50 -2.34 -2.42 1.61 4.01 -1.26 -4.85 117.16 111.42 2qky n TYR 585 Ca -0.07 0.93 -0.02 0.00 -0.16 0.00 0.00 57.90 58.57 2qky n TYR 585 Cb 0.27 -4.56 0.02 0.00 -0.31 0.00 0.00 39.34 34.76 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 -4.57 0.60 0.00 -0.72 6.02 -1.26 -4.67 117.38 112.77 2qky n GLN 586 Ca -0.11 -1.71 0.00 0.00 -0.01 0.00 0.00 57.00 55.17 2qky n GLN 586 Cb 0.60 0.01 0.00 0.00 1.02 0.00 0.00 30.24 31.87 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 -0.33 -1.40 0.16 1.08 0.00 -1.26 -4.37 105.19 99.06 2qky n GLY 587 Ca -0.11 -1.58 0.12 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.24 1.61 3.32 -0.67 -3.24 116.42 117.20 2qky h ASP 588 Ca 0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2qky h ASP 588 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2qky h ASP 588 CO 0.00 0.01 0.14 0.50 -1.72 0.00 0.00 179.24 178.17 2qky h LYS 589 N 0.00 0.33 -0.18 3.56 3.64 -1.82 0.14 116.57 122.24 2qky h LYS 589 Ca 0.00 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.16 2qky h LYS 589 Cb 0.97 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2qky h LYS 589 CO 0.00 0.29 -0.63 0.82 -2.27 0.00 0.00 179.45 177.66 2qky h ILE 590 N 0.29 1.31 -0.07 2.00 2.04 -1.76 -3.20 117.51 118.12 2qky h ILE 590 Ca 0.09 -1.88 -0.23 0.00 1.00 0.00 0.00 64.86 63.83 2qky h ILE 590 Cb 0.05 1.84 0.01 0.00 -0.74 0.00 0.00 36.82 37.98 2qky h ILE 590 CO -0.01 0.59 -0.89 -0.03 0.00 0.00 0.00 178.15 177.80 2qky h MET 591 N 0.48 0.66 -0.01 2.37 4.05 -1.52 -0.25 114.93 120.71 2qky h MET 591 Ca -0.01 -0.62 0.00 0.00 -0.28 0.00 0.00 59.70 58.80 2qky h MET 591 Cb 1.21 0.15 0.00 0.00 -0.80 0.00 0.00 31.60 32.16 2qky h MET 591 CO 0.12 1.22 0.00 0.72 0.23 0.00 0.00 176.91 179.21 2qky n HIS 592 N -3.86 0.01 -0.25 1.39 8.25 0.48 -4.20 115.22 117.03 2qky n HIS 592 Ca -0.08 -0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.53 2qky n HIS 592 Cb 0.80 0.00 0.46 0.00 1.12 0.00 0.00 29.99 32.37 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 4.07 2.04 -0.57 -1.41 0.00 -1.58 -1.00 119.26 120.81 2qky h ALA 593 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qky h ALA 593 Cb 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qky h ALA 593 CO 0.00 -0.31 0.00 0.44 0.00 0.00 0.00 179.25 179.38 2qky n ILE 594 N -4.54 2.56 -1.68 0.00 -5.35 -1.26 -4.88 119.36 104.20 2qky n ILE 594 Ca 0.18 -1.33 -0.44 0.00 -0.27 0.00 0.00 62.75 60.90 2qky n ILE 594 Cb 0.60 -0.24 -0.04 0.00 -1.74 0.00 0.00 39.64 38.22 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 0.67 3.81 0.00 7.28 4.05 -0.38 0.15 115.26 130.84 2qky n ASN 595 Ca 0.27 1.00 0.00 0.00 0.45 0.00 0.00 54.58 56.29 2qky n ASN 595 Cb 1.13 -1.50 0.00 0.00 1.23 0.00 0.00 39.78 40.64 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 5.50 -0.76 -3.08 1.20 1.74 0.22 -4.88 116.66 116.59 2qky n ARG 596 Ca 0.19 0.19 -0.21 0.00 -0.77 0.00 0.00 57.85 57.25 2qky n ARG 596 Cb 0.35 -3.88 -0.03 0.00 -1.02 0.00 0.00 32.46 27.88 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 -1.24 1.78 -2.78 5.56 3.00 0.12 -4.90 116.66 118.21 2qky n ARG 597 Ca 0.00 -3.90 -0.37 0.00 -0.01 0.00 0.00 57.85 53.57 2qky n ARG 597 Cb 0.19 -1.88 -0.06 0.00 0.00 0.00 0.00 32.46 30.70 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 -2.82 4.31 0.00 0.55 1.43 -1.25 -3.55 118.68 117.35 2qky s LEU 598 Ca 0.43 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 2qky s LEU 598 Cb 0.33 -4.05 0.00 0.00 0.03 0.00 0.00 46.19 42.50 2qky s LEU 598 CO -0.10 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.00 2qky n GLY 599 N 0.49 0.58 0.18 -3.19 0.00 -1.26 -4.87 105.19 97.11 2qky n GLY 599 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.04 0.00 -0.11 2.61 -2.24 -1.23 -4.82 114.28 105.45 2qky n THR 600 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2qky n THR 600 Cb 0.16 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 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 1.01 0.00 4.78 0.04 -1.91 -0.09 116.94 120.77 2qky h PHE 601 Ca 0.00 -0.31 -0.02 0.00 2.80 0.00 0.00 57.97 60.44 2qky h PHE 601 Cb 0.00 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 37.94 2qky h PHE 601 CO 0.00 1.11 -0.09 1.05 -0.60 0.00 0.00 178.31 179.78 2qky h GLU 602 N 0.63 0.00 0.07 1.51 9.09 -1.90 -0.89 114.58 123.09 2qky h GLU 602 Ca 0.05 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.26 2qky h GLU 602 Cb 0.95 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.04 2qky h GLU 602 CO 0.09 0.09 -1.00 0.28 0.05 0.00 0.00 179.01 178.52 2qky h VAL 603 N 0.00 1.23 0.15 -1.06 2.07 -1.84 -3.18 116.25 113.62 2qky h VAL 603 Ca -0.00 -2.36 -0.01 0.00 0.82 0.00 0.00 66.70 65.15 2qky h VAL 603 Cb 0.45 2.82 -0.00 0.00 -1.52 0.00 0.00 31.29 33.04 2qky h VAL 603 CO 0.01 0.60 -0.08 -0.33 0.02 0.00 0.00 177.57 177.79 2qky h GLU 604 N -0.61 -0.22 -0.83 1.57 5.08 -0.85 -2.95 114.58 115.78 2qky h GLU 604 Ca -0.23 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.25 2qky h GLU 604 Cb 1.49 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.73 2qky h GLU 604 CO 0.00 -0.14 0.54 -0.44 -1.00 0.00 0.00 179.01 177.97 2qky h ASP 605 N -0.22 0.69 -0.28 1.42 3.32 -1.33 -0.41 116.42 119.60 2qky h ASP 605 Ca -0.02 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2qky h ASP 605 Cb 0.18 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2qky h ASP 605 CO 0.02 0.40 -0.10 -0.61 -1.72 0.00 0.00 179.24 177.24 2qky h GLN 606 N 0.76 0.68 0.02 3.56 5.75 -1.51 0.17 115.11 124.55 2qky h GLN 606 Ca 0.39 -0.21 -0.00 0.00 -0.15 0.00 0.00 58.65 58.68 2qky h GLN 606 Cb 0.48 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.96 2qky h GLN 606 CO -0.16 0.77 -0.01 0.82 -2.65 0.00 0.00 178.83 177.60 2qky h ILE 607 N 0.62 1.25 -0.89 2.39 2.04 -1.00 -2.76 117.51 119.16 2qky h ILE 607 Ca 0.11 -0.81 0.20 0.00 1.00 0.00 0.00 64.86 65.36 2qky h ILE 607 Cb 0.54 1.79 -0.07 0.00 -0.74 0.00 0.00 36.82 38.34 2qky h ILE 607 CO 0.03 0.21 0.59 -0.08 0.00 0.00 0.00 178.15 178.90 2qky h GLU 608 N -0.37 0.40 -0.07 2.37 4.57 -0.60 -0.52 114.58 120.36 2qky h GLU 608 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2qky h GLU 608 Cb 0.36 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 2qky h GLU 608 CO 0.00 0.26 0.04 0.00 -1.18 0.00 0.00 179.01 178.14 2qky h ALA 609 N 1.61 0.08 -0.30 2.92 0.00 -0.38 -1.19 119.26 122.00 2qky h ALA 609 Ca 0.46 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.43 2qky h ALA 609 Cb 1.15 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 2qky h ALA 609 CO -0.17 -0.41 -0.23 0.00 0.00 0.00 0.00 179.25 178.43 2qky h ALA 610 N 1.00 -0.06 -0.33 0.00 0.00 -0.99 0.51 119.26 119.40 2qky h ALA 610 Ca 0.02 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.10 2qky h ALA 610 Cb 0.01 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 2qky h ALA 610 CO -0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 179.25 178.46 2qky h ARG 611 N -0.21 -0.09 0.30 0.00 3.08 -1.28 0.61 114.38 116.79 2qky h ARG 611 Ca 0.16 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2qky h ARG 611 Cb 0.45 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 2qky h ARG 611 CO -0.42 -0.06 -0.36 1.96 -1.07 0.00 0.00 179.97 180.02 2qky h GLN 612 N -0.09 -0.65 -1.12 0.04 1.08 0.07 -0.50 115.11 113.94 2qky h GLN 612 Ca 0.17 0.04 0.32 0.00 -1.45 0.00 0.00 58.65 57.73 2qky h GLN 612 Cb 0.34 0.15 -0.10 0.00 -0.05 0.00 0.00 27.48 27.82 2qky h GLN 612 CO -0.38 -0.43 0.73 0.74 -0.95 0.00 0.00 178.83 178.53 2qky h PHE 613 N -0.67 0.59 -0.02 2.96 0.04 0.73 0.41 116.94 120.98 2qky h PHE 613 Ca -0.04 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.62 2qky h PHE 613 Cb 0.60 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 2qky h PHE 613 CO -0.25 -0.02 -0.61 0.66 -0.60 0.00 0.00 178.31 177.49 2qky h SER 614 N 0.29 0.10 0.14 2.17 4.64 0.16 -2.57 113.55 118.48 2qky h SER 614 Ca 0.66 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 2qky h SER 614 Cb 1.84 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.90 2qky h SER 614 CO -0.32 0.69 0.00 0.29 -0.87 0.00 0.00 176.83 176.61 2qky n LYS 615 N -3.84 0.38 0.00 4.77 4.76 0.14 -1.80 118.16 122.58 2qky n LYS 615 Ca -0.02 0.06 0.13 0.00 -2.87 0.00 0.00 58.31 55.62 2qky n LYS 615 Cb 0.61 -1.50 0.49 0.00 -1.84 0.00 0.00 35.03 32.79 2qky n LYS 615 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2qky n MET 616 N -1.13 0.05 -0.96 1.97 2.81 -0.97 -4.97 117.12 113.92 2qky n MET 616 Ca 0.10 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 2qky n MET 616 Cb 0.09 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 2qky n MET 616 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qky n GLY 617 N 1.48 0.50 0.28 3.03 0.00 -0.75 -4.85 105.19 104.88 2qky n GLY 617 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 2qky n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2qky n PHE 618 N -2.52 0.19 -4.24 1.61 1.16 -1.26 -4.73 117.46 107.68 2qky n PHE 618 Ca 0.00 -0.47 -0.34 0.00 -1.87 0.00 0.00 57.45 54.77 2qky n PHE 618 Cb 0.08 -0.04 -0.12 0.00 -1.61 0.00 0.00 39.48 37.80 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 -0.96 4.11 -0.47 1.97 1.01 -1.26 -0.19 120.40 124.61 2qky s VAL 619 Ca 0.10 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 2qky s VAL 619 Cb 0.05 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.63 2qky s VAL 619 CO 0.07 0.47 1.17 -0.62 0.00 0.00 0.00 175.10 176.19 2qky s ASP 620 N 0.51 6.59 0.00 3.32 -1.08 0.77 -4.73 116.67 122.06 2qky s ASP 620 Ca -0.01 0.51 0.06 0.00 -0.52 0.00 0.00 52.55 52.58 2qky s ASP 620 Cb -0.14 -2.55 0.29 0.00 -1.46 0.00 0.00 42.92 39.06 2qky s ASP 620 CO 0.02 -1.28 1.00 0.59 0.52 0.00 0.00 175.17 176.02 2qky n ASN 621 N 7.98 0.00 0.04 -0.34 3.02 -1.26 -2.35 115.26 122.34 2qky n ASN 621 Ca 0.13 0.17 0.11 0.00 -0.03 0.00 0.00 54.58 54.96 2qky n ASN 621 Cb 0.49 -0.26 -0.01 0.00 -0.61 0.00 0.00 39.78 39.38 2qky n ASN 621 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2qky n LYS 622 N -1.26 0.40 -3.59 3.52 5.02 -1.26 -4.64 118.16 116.35 2qky n LYS 622 Ca 0.03 -0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.03 2qky n LYS 622 Cb 0.04 -1.63 -0.12 0.00 -0.02 0.00 0.00 35.03 33.31 2qky n LYS 622 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2qky s ARG 623 N -3.28 1.22 -0.36 1.97 0.52 -0.99 -4.85 118.95 113.19 2qky s ARG 623 Ca 0.01 -2.15 0.01 0.00 -0.52 0.00 0.00 55.73 53.08 2qky s ARG 623 Cb 0.13 -2.02 0.11 0.00 0.52 0.00 0.00 34.95 33.69 2qky s ARG 623 CO 0.82 -1.27 0.13 0.42 0.02 0.00 0.00 175.30 175.42 2qky s ILE 624 N 0.07 1.39 0.59 1.52 1.01 -1.26 -2.00 121.20 122.51 2qky s ILE 624 Ca 0.24 -1.99 0.02 0.00 0.00 0.00 0.00 60.65 58.92 2qky s ILE 624 Cb -0.11 -2.02 0.06 0.00 0.01 0.00 0.00 42.46 40.40 2qky s ILE 624 CO -0.09 -0.72 0.82 0.00 0.00 0.00 0.00 174.94 174.94 2qky s ALA 625 N 1.05 3.97 -0.12 9.38 0.00 -0.26 -1.96 121.76 133.82 2qky s ALA 625 Ca 0.12 -1.52 -0.10 0.00 0.00 0.00 0.00 51.96 50.46 2qky s ALA 625 Cb -0.20 -1.97 0.03 0.00 0.00 0.00 0.00 23.12 20.98 2qky s ALA 625 CO -0.14 -0.90 0.31 -1.50 0.00 0.00 0.00 175.76 173.53 2qky s ILE 626 N -2.82 -0.00 0.04 0.00 2.07 -0.95 -1.49 121.20 118.05 2qky s ILE 626 Ca 0.60 0.01 -0.10 0.00 -1.41 0.00 0.00 60.65 59.75 2qky s ILE 626 Cb -0.09 -0.44 0.01 0.00 0.13 0.00 0.00 42.46 42.07 2qky s ILE 626 CO 0.39 0.01 0.21 -1.66 -1.91 0.00 0.00 174.94 171.98 2qky s TRP 627 N 0.29 0.02 0.15 3.50 1.48 -1.05 -2.17 118.94 121.16 2qky s TRP 627 Ca -0.01 -0.21 -0.24 0.00 -1.06 0.00 0.00 56.10 54.57 2qky s TRP 627 Cb -0.03 -0.01 0.06 0.00 -1.16 0.00 0.00 33.47 32.34 2qky s TRP 627 CO -0.01 -0.44 0.78 0.20 -4.06 0.00 0.00 176.95 173.42 2qky s GLY 628 N -2.03 -0.36 0.03 3.67 0.00 -1.11 -2.19 107.32 105.33 2qky s GLY 628 Ca -0.06 0.32 0.07 0.00 0.00 0.00 0.00 44.72 45.06 2qky s GLY 628 CO -0.03 0.10 -0.21 0.86 0.00 0.00 0.00 173.10 173.82 2qky s TRP 629 N -3.55 1.86 0.00 1.90 -0.11 -1.26 -1.63 118.94 116.16 2qky s TRP 629 Ca 0.07 -0.37 0.00 0.00 1.22 0.00 0.00 56.10 57.02 2qky s TRP 629 Cb -0.02 -1.13 0.00 0.00 -1.50 0.00 0.00 33.47 30.82 2qky s TRP 629 CO -0.04 0.07 0.00 0.45 -4.62 0.00 0.00 176.95 172.81 2qky n SER 630 N 1.99 0.00 0.09 5.86 2.88 0.25 -0.22 113.62 124.46 2qky n SER 630 Ca -0.17 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.23 2qky n SER 630 Cb 0.53 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.38 -0.39 0.66 5.03 -1.87 -2.62 116.97 118.16 2qky h TYR 631 Ca 0.00 -0.28 -0.03 0.00 2.58 0.00 0.00 58.73 61.00 2qky h TYR 631 Cb 0.00 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 2qky h TYR 631 CO 0.00 1.23 0.11 0.78 -1.32 0.00 0.00 178.16 178.97 2qky h GLY 632 N 1.91 0.60 2.00 1.82 0.00 -0.55 0.24 103.07 109.10 2qky h GLY 632 Ca -0.13 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 2qky h GLY 632 CO 0.18 0.29 -0.22 -1.33 0.00 0.00 0.00 176.54 175.47 2qky h GLY 633 N 0.76 0.00 1.00 4.60 0.00 -1.28 -0.59 103.07 107.56 2qky h GLY 633 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.22 2qky h GLY 633 CO -0.01 0.00 -1.00 -1.82 0.00 0.00 0.00 176.54 173.71 2qky h TYR 634 N 0.00 0.82 -0.45 5.60 3.20 -0.31 -2.99 116.97 122.84 2qky h TYR 634 Ca -0.00 -0.51 -0.11 0.00 3.14 0.00 0.00 58.73 61.25 2qky h TYR 634 Cb 0.63 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2qky h TYR 634 CO 0.00 1.37 -0.13 0.28 -1.64 0.00 0.00 178.16 178.03 2qky h VAL 635 N 0.04 1.27 -0.41 1.81 2.07 -0.38 -2.04 116.25 118.61 2qky h VAL 635 Ca -0.15 -1.26 0.07 0.00 0.82 0.00 0.00 66.70 66.17 2qky h VAL 635 Cb 1.72 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 32.57 2qky h VAL 635 CO 0.19 0.43 0.08 0.74 0.02 0.00 0.00 177.57 179.03 2qky h THR 636 N 0.73 0.78 0.00 2.57 2.02 -1.21 0.82 112.91 118.63 2qky h THR 636 Ca 0.11 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 2qky h THR 636 Cb 0.69 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2qky h THR 636 CO 0.05 0.04 -0.19 0.28 0.37 0.00 0.00 175.52 176.07 2qky h SER 637 N 0.21 0.00 0.96 4.18 0.02 -1.35 0.23 113.55 117.79 2qky h SER 637 Ca 0.20 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.94 2qky h SER 637 Cb 0.25 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 2qky h SER 637 CO -0.27 0.19 -1.07 0.24 -1.14 0.00 0.00 176.83 174.78 2qky h MET 638 N 0.00 0.00 0.15 3.45 2.86 -0.48 -2.93 114.93 117.98 2qky h MET 638 Ca -0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.35 2qky h MET 638 Cb 0.37 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.05 2qky h MET 638 CO 0.02 0.89 -1.28 0.28 1.06 0.00 0.00 176.91 177.88 2qky h VAL 639 N 0.00 1.43 0.00 -2.22 2.07 -0.32 -3.00 116.25 114.21 2qky h VAL 639 Ca -0.05 -2.91 -0.00 0.00 0.82 0.00 0.00 66.70 64.56 2qky h VAL 639 Cb 1.78 2.93 -0.00 0.00 -1.52 0.00 0.00 31.29 34.47 2qky h VAL 639 CO 0.12 0.86 -0.00 -0.07 0.02 0.00 0.00 177.57 178.49 2qky h LEU 640 N 0.11 0.00 -3.35 2.57 3.38 -0.63 -2.63 115.31 114.76 2qky h LEU 640 Ca -0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2qky h LEU 640 Cb 1.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 2qky h LEU 640 CO 0.22 0.00 0.01 0.61 0.09 0.00 0.00 178.44 179.37 2qky n GLY 641 N 0.23 3.85 0.57 0.83 0.00 -1.11 -4.18 105.19 105.38 2qky n GLY 641 Ca 0.01 -1.03 0.13 0.00 0.00 0.00 0.00 46.02 45.14 2qky n GLY 641 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qky n SER 642 N -0.29 1.80 -4.14 1.61 3.41 -0.99 -4.68 113.62 110.34 2qky n SER 642 Ca 0.24 -1.56 -0.38 0.00 -0.26 0.00 0.00 58.87 56.91 2qky n SER 642 Cb 0.99 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.93 2qky n SER 642 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qky n GLY 643 N 1.23 -0.52 0.35 5.00 0.00 -1.26 -4.82 105.19 105.17 2qky n GLY 643 Ca 0.17 0.27 0.08 0.00 0.00 0.00 0.00 46.02 46.54 2qky n GLY 643 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qky n SER 644 N -2.53 1.60 -1.63 1.61 3.41 -1.26 -4.99 113.62 109.83 2qky n SER 644 Ca -0.21 -1.30 -0.16 0.00 -0.26 0.00 0.00 58.87 56.94 2qky n SER 644 Cb 0.63 0.50 -0.06 0.00 -0.26 0.00 0.00 64.21 65.02 2qky n SER 644 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qky n GLY 645 N 1.18 1.20 0.12 5.00 0.00 -1.26 -4.83 105.19 106.60 2qky n GLY 645 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 2qky n GLY 645 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qky n VAL 646 N -2.35 1.61 -3.72 1.61 0.31 -1.26 -4.96 118.33 109.57 2qky n VAL 646 Ca -0.17 -0.26 -0.32 0.00 -0.01 0.00 0.00 64.34 63.59 2qky n VAL 646 Cb 0.55 -1.92 -0.05 0.00 -0.91 0.00 0.00 33.84 31.52 2qky n VAL 646 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2qky s PHE 647 N -2.44 3.50 -0.21 3.52 0.08 -1.26 -4.56 117.98 116.61 2qky s PHE 647 Ca -0.28 0.52 -0.00 0.00 0.12 0.00 0.00 56.93 57.29 2qky s PHE 647 Cb 0.07 -1.97 -0.20 0.00 -0.57 0.00 0.00 43.02 40.35 2qky s PHE 647 CO 0.64 0.48 -0.02 1.17 -0.10 0.00 0.00 175.22 177.39 2qky n LYS 648 N 0.26 0.69 -3.96 0.44 4.81 -0.83 -4.82 118.16 114.74 2qky n LYS 648 Ca -0.04 0.18 -0.09 0.00 -0.87 0.00 0.00 58.31 57.49 2qky n LYS 648 Cb 0.52 -1.58 -0.04 0.00 0.02 0.00 0.00 35.03 33.95 2qky n LYS 648 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qky s GLY 650 N -3.04 -0.15 0.06 0.00 0.00 0.30 -2.24 107.32 102.25 2qky s GLY 650 Ca 0.21 2.25 0.06 0.00 0.00 0.00 0.00 44.72 47.23 2qky s GLY 650 CO 0.11 1.01 -0.11 -0.42 0.00 0.00 0.00 173.10 173.68 2qky s ILE 651 N -1.22 3.32 -0.27 0.90 1.01 -0.92 -1.21 121.20 122.81 2qky s ILE 651 Ca 0.03 -1.11 -0.04 0.00 0.00 0.00 0.00 60.65 59.53 2qky s ILE 651 Cb -0.01 -2.49 0.10 0.00 0.01 0.00 0.00 42.46 40.07 2qky s ILE 651 CO -0.02 0.24 0.14 0.00 0.00 0.00 0.00 174.94 175.30 2qky s ALA 652 N -1.09 0.45 -0.13 9.38 0.00 -0.52 -2.74 121.76 127.11 2qky s ALA 652 Ca 0.19 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 51.07 2qky s ALA 652 Cb -0.11 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 2qky s ALA 652 CO 0.10 -1.57 0.68 0.08 0.00 0.00 0.00 175.76 175.04 2qky s VAL 653 N 2.14 5.03 -1.19 0.00 1.01 -0.65 -2.72 120.40 124.02 2qky s VAL 653 Ca 0.08 1.34 -0.31 0.00 0.00 0.00 0.00 61.98 63.10 2qky s VAL 653 Cb -0.16 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.25 2qky s VAL 653 CO -0.32 0.18 0.72 0.00 0.00 0.00 0.00 175.10 175.69 2qky n ALA 654 N 4.37 -2.60 -2.15 5.51 0.00 0.17 -0.59 120.51 125.23 2qky n ALA 654 Ca -0.01 -0.48 -0.23 0.00 0.00 0.00 0.00 53.44 52.73 2qky n ALA 654 Cb 0.50 -3.13 0.03 0.00 0.00 0.00 0.00 19.45 16.85 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 -6.97 2.82 0.09 0.00 0.04 -1.26 -2.76 135.00 126.96 2qky s PRO 655 Ca 0.49 -0.54 -0.22 0.00 0.04 0.00 0.00 61.00 60.78 2qky s PRO 655 Cb -0.24 -2.49 -0.07 0.00 0.04 0.00 0.00 34.50 31.74 2qky s PRO 655 CO 0.94 -0.52 0.64 0.08 0.04 0.00 0.00 177.00 178.18 2qky s VAL 656 N -2.71 4.64 -0.10 -0.36 1.01 -1.19 -4.42 120.40 117.28 2qky s VAL 656 Ca 0.53 1.39 0.04 0.00 0.00 0.00 0.00 61.98 63.93 2qky s VAL 656 Cb -0.10 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 2qky s VAL 656 CO 0.39 0.52 0.13 -1.54 0.00 0.00 0.00 175.10 174.60 2qky n SER 657 N 1.83 2.11 -3.63 3.32 3.41 -1.26 -4.48 113.62 114.92 2qky n SER 657 Ca -0.08 -0.30 -0.02 0.00 -0.26 0.00 0.00 58.87 58.21 2qky n SER 657 Cb 0.50 1.09 -0.06 0.00 -0.26 0.00 0.00 64.21 65.48 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 -1.82 0.36 0.47 4.33 3.52 -1.26 -1.22 118.95 123.34 2qky s ARG 658 Ca 0.00 0.64 0.32 0.00 -0.13 0.00 0.00 55.73 56.56 2qky s ARG 658 Cb 0.03 0.09 1.71 0.00 -1.56 0.00 0.00 34.95 35.22 2qky s ARG 658 CO 0.16 -0.08 1.97 -1.49 -0.81 0.00 0.00 175.30 175.05 2qky h TRP 659 N 6.09 0.00 0.00 5.12 4.06 -1.90 0.21 115.95 129.53 2qky h TRP 659 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 2qky h TRP 659 Cb 1.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 2qky h TRP 659 CO 0.12 0.00 0.00 0.39 -3.56 0.00 0.00 178.44 175.39 2qky n GLU 660 N -2.61 0.19 0.10 0.49 4.71 -1.26 -2.76 120.64 119.49 2qky n GLU 660 Ca -0.02 0.19 0.13 0.00 -0.01 0.00 0.00 57.16 57.45 2qky n GLU 660 Cb 0.05 -1.74 0.36 0.00 -1.01 0.00 0.00 31.44 29.11 2qky n GLU 660 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2qky n TYR 661 N -2.07 0.86 -2.87 -0.32 4.01 0.06 -3.86 117.16 112.97 2qky n TYR 661 Ca 0.05 0.25 -0.19 0.00 -0.16 0.00 0.00 57.90 57.86 2qky n TYR 661 Cb 0.38 -0.89 0.02 0.00 -0.31 0.00 0.00 39.34 38.55 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 -3.11 2.79 0.96 -0.72 5.04 -1.11 -4.83 117.35 116.36 2qky s TYR 662 Ca 0.10 -0.27 -0.11 0.00 -2.44 0.00 0.00 57.07 54.35 2qky s TYR 662 Cb 0.13 -2.52 0.13 0.00 0.35 0.00 0.00 41.96 40.05 2qky s TYR 662 CO 0.62 -0.61 0.89 -0.40 -1.34 0.00 0.00 175.55 174.71 2qky n ASP 663 N -2.04 -0.62 0.02 4.32 5.68 -1.26 -1.14 116.55 121.50 2qky n ASP 663 Ca 0.08 0.32 -0.13 0.00 -0.50 0.00 0.00 54.79 54.56 2qky n ASP 663 Cb 0.59 -1.36 -0.09 0.00 -1.14 0.00 0.00 41.12 39.11 2qky n ASP 663 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2qky h SER 664 N -1.90 -0.07 -0.86 -1.12 4.64 -0.19 -2.69 113.55 111.36 2qky h SER 664 Ca -0.45 -0.43 0.06 0.00 -0.47 0.00 0.00 61.79 60.50 2qky h SER 664 Cb 1.28 0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.34 2qky h SER 664 CO 0.40 0.41 0.56 0.58 -0.87 0.00 0.00 176.83 177.91 2qky h VAL 665 N -0.58 1.06 0.03 0.95 2.07 -1.93 -2.16 116.25 115.69 2qky h VAL 665 Ca -0.01 -0.33 -0.15 0.00 0.82 0.00 0.00 66.70 67.03 2qky h VAL 665 Cb 0.50 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2qky h VAL 665 CO 0.01 0.18 -0.80 0.22 0.02 0.00 0.00 177.57 177.20 2qky h TYR 666 N 0.97 0.13 0.00 1.57 5.03 -1.95 -3.25 116.97 119.47 2qky h TYR 666 Ca 0.37 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.59 2qky h TYR 666 Cb 0.21 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.48 2qky h TYR 666 CO -0.00 1.31 0.00 2.41 -1.32 0.00 0.00 178.16 180.56 2qky n THR 667 N -4.37 0.00 -0.32 1.81 -1.04 -1.01 -2.15 114.28 107.20 2qky n THR 667 Ca -0.21 1.47 0.35 0.00 -2.04 0.00 0.00 64.05 63.62 2qky n THR 667 Cb 0.66 -2.25 0.74 0.00 -1.82 0.00 0.00 70.33 67.66 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 -0.22 -2.82 5.08 -1.55 0.49 114.58 115.55 2qky h GLU 668 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2qky h GLU 668 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 2qky h GLU 668 CO 0.00 0.00 -0.32 -0.09 -1.00 0.00 0.00 179.01 177.60 2qky h ARG 669 N 0.00 -0.33 0.00 2.33 2.43 -1.46 -2.14 114.38 115.20 2qky h ARG 669 Ca 0.57 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.76 2qky h ARG 669 Cb 2.37 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.99 2qky h ARG 669 CO -0.01 -0.22 -1.19 0.66 -1.51 0.00 0.00 179.97 177.71 2qky n TYR 670 N -5.41 0.06 0.04 2.20 4.01 -0.02 -4.56 117.16 113.48 2qky n TYR 670 Ca -0.02 0.02 0.01 0.00 -0.16 0.00 0.00 57.90 57.75 2qky n TYR 670 Cb 0.33 -0.22 0.01 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.76 0.61 0.00 -0.72 2.81 -0.16 0.70 117.12 118.60 2qky n MET 671 Ca 0.02 -0.96 0.00 0.00 -1.81 0.00 0.00 57.70 54.95 2qky n MET 671 Cb 0.40 -1.04 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 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 -0.06 0.64 3.80 3.03 0.00 -0.81 -4.71 105.19 107.08 2qky n GLY 672 Ca 0.01 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 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 3.99 -1.45 0.99 1.43 -1.26 -4.19 118.68 118.18 2qky s LEU 673 Ca 0.00 0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 53.20 2qky s LEU 673 Cb 0.00 -2.29 -0.07 0.00 0.03 0.00 0.00 46.19 43.86 2qky s LEU 673 CO 0.00 0.29 2.71 -0.81 0.23 0.00 0.00 176.35 178.77 2qky n PRO 674 N 1.26 3.27 -4.37 1.29 -0.04 -1.26 -1.93 135.00 133.21 2qky n PRO 674 Ca -0.13 -2.08 -0.20 0.00 -0.04 0.00 0.00 63.50 61.05 2qky n PRO 674 Cb 0.53 -2.77 -0.13 0.00 -0.04 0.00 0.00 33.50 31.08 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 2.56 1.10 0.28 0.52 -4.23 -1.26 -4.62 115.64 110.00 2qky s THR 675 Ca 0.62 -0.97 0.02 0.00 -1.18 0.00 0.00 61.69 60.18 2qky s THR 675 Cb 0.16 -1.00 0.27 0.00 1.34 0.00 0.00 72.50 73.28 2qky s THR 675 CO -0.05 0.03 1.73 1.55 -0.54 0.00 0.00 174.62 177.33 2qky h PRO 676 N 5.00 0.49 0.00 3.99 0.13 -1.94 0.99 132.00 140.66 2qky h PRO 676 Ca -0.38 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2qky h PRO 676 Cb 1.18 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2qky h PRO 676 CO 0.44 0.33 0.00 -0.85 -0.23 0.00 0.00 178.00 177.69 2qky n GLU 677 N -4.96 0.12 0.00 0.86 0.00 -1.26 -4.65 120.64 110.75 2qky n GLU 677 Ca 0.20 0.59 0.00 0.00 0.00 0.00 0.00 57.16 57.95 2qky n GLU 677 Cb 0.57 -1.87 0.00 0.00 0.00 0.00 0.00 31.44 30.14 2qky n GLU 677 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2qky n ASP 678 N -2.12 0.00 -1.01 -1.84 2.03 0.34 -5.04 116.55 108.91 2qky n ASP 678 Ca -0.01 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.40 2qky n ASP 678 Cb 0.05 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 40.64 2qky n ASP 678 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2qky n ASN 679 N 0.00 3.25 -0.42 1.67 5.15 -0.81 -4.64 115.26 119.46 2qky n ASN 679 Ca 0.00 -1.93 0.36 0.00 -0.60 0.00 0.00 54.58 52.41 2qky n ASN 679 Cb 0.00 -0.24 0.63 0.00 -0.53 0.00 0.00 39.78 39.65 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 3.82 0.27 -0.30 1.20 5.85 -1.34 0.64 115.31 125.45 2qky h LEU 680 Ca 0.00 0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.95 2qky h LEU 680 Cb 0.89 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 2qky h LEU 680 CO 0.00 -0.26 0.01 -2.24 -0.34 0.00 0.00 178.44 175.61 2qky h ASP 681 N 0.06 -0.10 0.73 1.25 3.04 -1.82 -1.91 116.42 117.67 2qky h ASP 681 Ca 0.84 0.07 -0.17 0.00 -3.24 0.00 0.00 57.03 54.53 2qky h ASP 681 Cb 2.51 0.11 -0.02 0.00 -1.04 0.00 0.00 39.33 40.90 2qky h ASP 681 CO -0.53 -0.02 -0.79 -0.74 -2.04 0.00 0.00 179.24 175.12 2qky h HIS 682 N 0.10 0.06 0.00 4.15 2.76 -1.24 -2.36 115.15 118.62 2qky h HIS 682 Ca 0.14 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2qky h HIS 682 Cb 0.19 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.14 2qky h HIS 682 CO -0.22 0.82 0.00 0.66 -1.30 0.00 0.00 177.93 177.89 2qky n TYR 683 N -3.63 0.00 -0.06 5.26 4.01 -1.00 -1.99 117.16 119.76 2qky n TYR 683 Ca -0.01 0.00 0.23 0.00 -0.16 0.00 0.00 57.90 57.96 2qky n TYR 683 Cb 0.76 -0.20 0.49 0.00 -0.31 0.00 0.00 39.34 40.08 2qky n TYR 683 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qky h ARG 684 N 0.00 0.00 -0.68 -0.72 2.47 -1.41 0.16 114.38 114.20 2qky h ARG 684 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2qky h ARG 684 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2qky h ARG 684 CO 0.00 0.00 0.00 -1.71 0.56 0.00 0.00 179.97 178.82 2qky n ASN 685 N -3.27 4.31 -2.67 7.04 4.05 -0.85 -4.41 115.26 119.46 2qky n ASN 685 Ca 0.16 -2.25 -0.07 0.00 0.45 0.00 0.00 54.58 52.88 2qky n ASN 685 Cb 1.20 -0.53 0.04 0.00 1.23 0.00 0.00 39.78 41.72 2qky n ASN 685 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 2qky n SER 686 N 1.32 2.14 -4.71 1.20 3.41 0.57 -5.00 113.62 112.55 2qky n SER 686 Ca 0.25 -2.50 -0.32 0.00 -0.26 0.00 0.00 58.87 56.03 2qky n SER 686 Cb 0.76 -0.47 -0.08 0.00 -0.26 0.00 0.00 64.21 64.15 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 -3.84 4.28 0.10 6.66 -4.23 -1.26 -4.77 115.64 112.59 2qky s THR 687 Ca 0.31 -0.63 -0.20 0.00 -1.18 0.00 0.00 61.69 59.99 2qky s THR 687 Cb 0.37 -2.95 -0.09 0.00 1.34 0.00 0.00 72.50 71.17 2qky s THR 687 CO -0.02 0.31 1.69 0.58 -0.54 0.00 0.00 174.62 176.65 2qky h VAL 688 N 3.29 1.11 -0.89 2.29 2.07 -1.48 -3.20 116.25 119.44 2qky h VAL 688 Ca -0.49 -0.31 0.23 0.00 0.82 0.00 0.00 66.70 66.96 2qky h VAL 688 Cb 1.17 0.98 -0.16 0.00 -1.52 0.00 0.00 31.29 31.77 2qky h VAL 688 CO 0.59 0.11 0.06 0.24 0.02 0.00 0.00 177.57 178.59 2qky h MET 689 N 0.18 0.08 0.00 1.57 2.86 -1.89 0.30 114.93 118.04 2qky h MET 689 Ca 0.06 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2qky h MET 689 Cb 0.08 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2qky h MET 689 CO -0.01 0.05 0.00 -1.13 1.06 0.00 0.00 176.91 176.88 2qky n SER 690 N -5.38 0.00 -0.25 1.22 3.41 -1.21 -1.67 113.62 109.74 2qky n SER 690 Ca 0.19 -0.48 0.03 0.00 -0.26 0.00 0.00 58.87 58.36 2qky n SER 690 Cb 0.64 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.62 2qky n SER 690 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qky n ARG 691 N -0.82 0.15 -0.34 4.33 1.74 0.11 -4.76 116.66 117.07 2qky n ARG 691 Ca 0.06 -0.96 0.21 0.00 -0.77 0.00 0.00 57.85 56.38 2qky n ARG 691 Cb 0.03 -1.12 0.44 0.00 -1.02 0.00 0.00 32.46 30.78 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 1.18 1.95 -0.01 7.54 0.00 -1.36 0.11 119.26 128.67 2qky h ALA 692 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qky h ALA 692 Cb 0.29 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2qky h ALA 692 CO 0.00 -0.44 0.10 1.49 0.00 0.00 0.00 179.25 180.40 2qky h GLU 693 N 0.48 0.00 0.00 0.00 4.57 -1.85 -2.23 114.58 115.54 2qky h GLU 693 Ca 0.66 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.84 2qky h GLU 693 Cb 1.42 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.01 2qky h GLU 693 CO -0.46 0.00 -0.92 0.09 -1.18 0.00 0.00 179.01 176.53 2qky n ASN 694 N -3.06 0.63 0.29 1.04 3.02 0.39 -3.75 115.26 113.83 2qky n ASN 694 Ca -0.03 -0.17 0.19 0.00 -0.03 0.00 0.00 54.58 54.54 2qky n ASN 694 Cb 0.16 0.66 0.93 0.00 -0.61 0.00 0.00 39.78 40.92 2qky n ASN 694 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 2qky h PHE 695 N 0.00 0.00 0.00 3.10 0.04 -1.48 -2.49 116.94 116.11 2qky h PHE 695 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2qky h PHE 695 Cb 0.71 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.86 2qky h PHE 695 CO 0.00 0.00 0.00 1.17 -0.60 0.00 0.00 178.31 178.88 2qky n LYS 696 N -2.99 0.00 0.00 1.51 4.81 -1.25 -0.11 118.16 120.14 2qky n LYS 696 Ca -0.01 0.40 0.09 0.00 -0.87 0.00 0.00 58.31 57.92 2qky n LYS 696 Cb 0.17 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.69 2qky n LYS 696 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2qky n GLN 697 N -1.40 1.39 -4.04 1.64 6.02 -0.94 -5.00 117.38 115.06 2qky n GLN 697 Ca 0.00 -0.63 -0.08 0.00 -0.01 0.00 0.00 57.00 56.28 2qky n GLN 697 Cb 0.00 -1.35 -0.10 0.00 1.02 0.00 0.00 30.24 29.80 2qky n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2qky s VAL 698 N -2.29 0.17 0.01 5.09 -7.23 0.85 -4.91 120.40 112.09 2qky s VAL 698 Ca 0.13 -1.39 -0.29 0.00 -1.81 0.00 0.00 61.98 58.62 2qky s VAL 698 Cb 0.15 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 2qky s VAL 698 CO 0.55 -0.76 0.93 -1.61 -0.31 0.00 0.00 175.10 173.90 2qky s GLU 699 N -2.76 4.56 0.03 4.82 2.02 -0.24 -4.91 118.70 122.23 2qky s GLU 699 Ca -0.04 1.35 0.05 0.00 0.02 0.00 0.00 54.97 56.35 2qky s GLU 699 Cb -0.00 -3.44 -0.02 0.00 0.10 0.00 0.00 34.13 30.76 2qky s GLU 699 CO -0.06 0.02 -0.14 -0.47 0.02 0.00 0.00 175.26 174.63 2qky s TYR 700 N 0.78 1.24 -0.14 1.61 5.04 -1.26 -0.54 117.35 124.08 2qky s TYR 700 Ca 0.49 -0.34 -0.01 0.00 -2.44 0.00 0.00 57.07 54.76 2qky s TYR 700 Cb -0.21 -0.74 0.04 0.00 0.35 0.00 0.00 41.96 41.40 2qky s TYR 700 CO 0.27 0.03 -0.02 -1.17 -1.34 0.00 0.00 175.55 173.32 2qky s LEU 701 N -1.06 1.13 -0.24 6.97 2.96 -0.35 -0.78 118.68 127.32 2qky s LEU 701 Ca 0.02 -0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 53.38 2qky s LEU 701 Cb -0.08 -0.67 -0.03 0.00 0.50 0.00 0.00 46.19 45.91 2qky s LEU 701 CO 0.01 -0.21 0.06 -0.22 -1.32 0.00 0.00 176.35 174.67 2qky s LEU 702 N 1.81 3.45 0.06 -0.68 2.96 -0.32 -1.44 118.68 124.51 2qky s LEU 702 Ca 0.02 -0.18 0.08 0.00 -0.22 0.00 0.00 54.13 53.83 2qky s LEU 702 Cb -0.14 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 2qky s LEU 702 CO -0.07 0.00 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.12 2qky s ILE 703 N 1.40 1.68 -0.28 6.68 1.01 -1.10 -1.92 121.20 128.67 2qky s ILE 703 Ca 0.05 -1.28 -0.20 0.00 0.00 0.00 0.00 60.65 59.22 2qky s ILE 703 Cb -0.15 -1.48 0.11 0.00 0.01 0.00 0.00 42.46 40.95 2qky s ILE 703 CO 0.03 0.14 0.89 -2.28 0.00 0.00 0.00 174.94 173.73 2qky s HIS 704 N -0.89 -0.69 0.25 3.97 2.46 -1.14 0.44 115.29 119.69 2qky s HIS 704 Ca 0.07 1.49 -0.30 0.00 0.47 0.00 0.00 55.06 56.80 2qky s HIS 704 Cb -0.09 0.41 -0.09 0.00 -0.13 0.00 0.00 32.58 32.67 2qky s HIS 704 CO 0.02 -0.34 1.02 0.20 -2.47 0.00 0.00 174.74 173.18 2qky s GLY 705 N 0.93 3.08 0.00 1.59 0.00 -1.26 -2.59 107.32 109.06 2qky s GLY 705 Ca -0.04 0.75 0.19 0.00 0.00 0.00 0.00 44.72 45.62 2qky s GLY 705 CO -0.11 1.37 1.57 -1.30 0.00 0.00 0.00 173.10 174.62 2qky n THR 706 N 1.46 0.16 -2.51 0.90 -2.24 -1.07 -3.18 114.28 107.80 2qky n THR 706 Ca -0.01 0.04 -0.19 0.00 -2.27 0.00 0.00 64.05 61.61 2qky n THR 706 Cb 0.46 -0.73 0.01 0.00 -2.10 0.00 0.00 70.33 67.97 2qky n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qky n ALA 707 N -1.11 4.40 -3.00 6.98 0.00 -0.93 -4.56 120.51 122.30 2qky n ALA 707 Ca 0.13 -3.81 -0.44 0.00 0.00 0.00 0.00 53.44 49.31 2qky n ALA 707 Cb 0.10 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 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 -3.43 6.51 0.31 0.00 -1.08 -1.19 -3.91 116.67 113.88 2qky s ASP 708 Ca 0.40 -1.88 0.00 0.00 -0.52 0.00 0.00 52.55 50.56 2qky s ASP 708 Cb 0.42 -2.36 0.53 0.00 -1.46 0.00 0.00 42.92 40.04 2qky s ASP 708 CO -0.09 -1.06 1.96 -2.24 0.52 0.00 0.00 175.17 174.27 2qky h ASP 709 N 8.86 0.87 0.00 -0.34 2.03 -1.93 -2.60 116.42 123.31 2qky h ASP 709 Ca 0.01 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 2qky h ASP 709 Cb 1.04 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.34 2qky h ASP 709 CO 1.07 0.61 0.00 -3.20 -1.03 0.00 0.00 179.24 176.69 2qky n ASN 710 N -4.44 0.00 -4.21 4.15 2.85 -1.26 -4.30 115.26 108.05 2qky n ASN 710 Ca 0.10 0.15 -0.43 0.00 -0.11 0.00 0.00 54.58 54.28 2qky n ASN 710 Cb 0.09 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.11 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 -0.24 4.27 -1.00 3.44 0.31 -1.25 -4.84 118.33 119.01 2qky n VAL 711 Ca 0.00 -4.54 -0.32 0.00 -0.01 0.00 0.00 64.34 59.47 2qky n VAL 711 Cb 0.00 -2.42 0.01 0.00 -0.91 0.00 0.00 33.84 30.52 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 5.03 -2.47 -0.33 3.52 8.25 -0.98 -4.78 115.22 123.47 2qky n HIS 712 Ca 0.39 0.35 0.08 0.00 -0.26 0.00 0.00 57.72 58.28 2qky n HIS 712 Cb 0.40 -1.36 0.28 0.00 1.12 0.00 0.00 29.99 30.43 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 -0.05 1.04 -1.06 4.41 3.57 -1.79 -2.15 116.94 120.90 2qky h PHE 713 Ca -0.33 0.03 0.36 0.00 3.53 0.00 0.00 57.97 61.56 2qky h PHE 713 Cb 1.17 -0.33 -0.10 0.00 2.79 0.00 0.00 35.95 39.48 2qky h PHE 713 CO 0.19 0.42 0.69 0.94 -2.23 0.00 0.00 178.31 178.32 2qky n GLN 714 N -4.58 -0.02 0.06 1.11 7.27 -1.26 -0.23 117.38 119.72 2qky n GLN 714 Ca 0.18 0.92 -0.13 0.00 0.07 0.00 0.00 57.00 58.04 2qky n GLN 714 Cb 0.37 -1.84 -0.08 0.00 2.41 0.00 0.00 30.24 31.10 2qky n GLN 714 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 2qky h GLN 715 N 0.00 -0.08 -0.21 3.69 1.08 -1.69 -1.47 115.11 116.44 2qky h GLN 715 Ca 0.66 0.01 -0.20 0.00 -1.45 0.00 0.00 58.65 57.67 2qky h GLN 715 Cb 2.17 0.02 0.01 0.00 -0.05 0.00 0.00 27.48 29.63 2qky h GLN 715 CO -0.32 0.05 -0.64 0.77 -0.95 0.00 0.00 178.83 177.74 2qky h SER 716 N -0.20 0.92 -0.40 1.46 0.02 -0.81 -2.84 113.55 111.70 2qky h SER 716 Ca -0.01 -0.59 0.12 0.00 -0.84 0.00 0.00 61.79 60.47 2qky h SER 716 Cb 0.17 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2qky h SER 716 CO 0.01 1.35 0.38 0.00 -1.14 0.00 0.00 176.83 177.43 2qky h ALA 717 N 0.60 2.17 0.00 3.77 0.00 -1.17 0.41 119.26 125.04 2qky h ALA 717 Ca -0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2qky h ALA 717 Cb 1.26 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2qky h ALA 717 CO 0.14 -0.59 -1.03 1.96 0.00 0.00 0.00 179.25 179.73 2qky h GLN 718 N 0.00 0.00 0.01 0.00 1.08 -1.08 -2.90 115.11 112.22 2qky h GLN 718 Ca 0.19 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.33 2qky h GLN 718 Cb 0.95 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.38 2qky h GLN 718 CO -0.00 0.15 -0.23 0.82 -0.95 0.00 0.00 178.83 178.61 2qky h ILE 719 N 0.00 1.58 0.27 2.54 2.04 -0.38 -2.89 117.51 120.67 2qky h ILE 719 Ca -0.06 -2.02 -0.01 0.00 1.00 0.00 0.00 64.86 63.77 2qky h ILE 719 Cb 1.25 2.88 -0.01 0.00 -0.74 0.00 0.00 36.82 40.20 2qky h ILE 719 CO 0.02 0.55 -0.24 0.77 0.00 0.00 0.00 178.15 179.25 2qky h SER 720 N -0.58 -0.64 -1.19 1.72 4.64 -0.46 -0.58 113.55 116.46 2qky h SER 720 Ca -0.03 0.05 0.34 0.00 -0.47 0.00 0.00 61.79 61.67 2qky h SER 720 Cb 1.02 0.21 -0.08 0.00 -0.31 0.00 0.00 62.40 63.25 2qky h SER 720 CO 0.05 -0.33 0.81 0.50 -0.87 0.00 0.00 176.83 176.99 2qky h LYS 721 N -0.50 0.15 -0.14 4.77 3.64 -1.65 0.46 116.57 123.30 2qky h LYS 721 Ca -0.03 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 2qky h LYS 721 Cb 0.42 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2qky h LYS 721 CO -0.01 0.10 -0.71 0.00 -2.27 0.00 0.00 179.45 176.56 2qky h ALA 722 N 1.49 0.50 -0.07 5.00 0.00 -1.19 -1.52 119.26 123.47 2qky h ALA 722 Ca 0.62 -0.58 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2qky h ALA 722 Cb 2.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 2qky h ALA 722 CO -0.16 0.72 -0.58 -0.07 0.00 0.00 0.00 179.25 179.16 2qky h LEU 723 N 0.42 0.25 0.09 0.00 3.38 0.14 -3.02 115.31 116.57 2qky h LEU 723 Ca -0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2qky h LEU 723 Cb 1.30 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2qky h LEU 723 CO 0.13 0.77 -0.04 0.58 0.09 0.00 0.00 178.44 179.97 2qky h VAL 724 N 0.17 1.06 -1.21 1.22 2.07 -0.96 0.49 116.25 119.08 2qky h VAL 724 Ca -0.00 -0.53 0.35 0.00 0.82 0.00 0.00 66.70 67.33 2qky h VAL 724 Cb 1.06 1.40 -0.08 0.00 -1.52 0.00 0.00 31.29 32.15 2qky h VAL 724 CO 0.09 0.13 0.83 0.44 0.02 0.00 0.00 177.57 179.08 2qky h ASP 725 N -0.36 0.19 -0.49 0.57 3.32 -1.16 0.62 116.42 119.11 2qky h ASP 725 Ca -0.01 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2qky h ASP 725 Cb 0.31 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2qky h ASP 725 CO 0.02 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.87 2qky n VAL 726 N -4.39 1.97 -3.72 -1.35 0.24 -1.04 -4.97 118.33 105.07 2qky n VAL 726 Ca 0.29 -1.38 -0.25 0.00 -2.04 0.00 0.00 64.34 60.97 2qky n VAL 726 Cb 1.21 0.03 0.05 0.00 -1.47 0.00 0.00 33.84 33.65 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 0.54 -0.43 3.60 7.63 0.00 0.22 -4.97 105.19 111.77 2qky n GLY 727 Ca 0.23 0.18 -0.37 0.00 0.00 0.00 0.00 46.02 46.05 2qky n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qky s VAL 728 N -3.42 5.17 0.63 1.61 1.01 0.11 -5.02 120.40 120.49 2qky s VAL 728 Ca 0.37 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.33 2qky s VAL 728 Cb -0.18 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 2qky s VAL 728 CO 0.79 0.31 1.06 -0.62 0.00 0.00 0.00 175.10 176.63 2qky s ASP 729 N 1.42 5.63 -0.13 3.32 2.15 -1.26 -4.56 116.67 123.24 2qky s ASP 729 Ca 0.07 1.74 -0.33 0.00 0.43 0.00 0.00 52.55 54.46 2qky s ASP 729 Cb -0.15 -2.52 0.13 0.00 -0.30 0.00 0.00 42.92 40.08 2qky s ASP 729 CO 0.07 -1.27 1.21 0.72 -0.17 0.00 0.00 175.17 175.74 2qky s PHE 730 N -2.67 -0.11 0.01 -5.34 -0.71 -1.26 -4.77 117.98 103.13 2qky s PHE 730 Ca 0.61 0.04 -0.06 0.00 -1.04 0.00 0.00 56.93 56.49 2qky s PHE 730 Cb -0.15 0.53 -0.05 0.00 -1.21 0.00 0.00 43.02 42.14 2qky s PHE 730 CO 0.43 -0.25 0.26 -0.65 -1.34 0.00 0.00 175.22 173.67 2qky s GLN 731 N -2.47 3.56 0.39 1.99 -1.52 0.04 -5.02 119.66 116.63 2qky s GLN 731 Ca 0.11 -0.12 0.04 0.00 -1.95 0.00 0.00 55.36 53.43 2qky s GLN 731 Cb 0.01 -3.07 -0.05 0.00 -0.22 0.00 0.00 33.01 29.68 2qky s GLN 731 CO -0.04 0.64 0.06 0.00 -0.25 0.00 0.00 175.29 175.70 2qky s ALA 732 N -1.32 2.94 -0.30 6.09 0.00 -1.26 -1.17 121.76 126.74 2qky s ALA 732 Ca 0.28 -1.56 -0.19 0.00 0.00 0.00 0.00 51.96 50.49 2qky s ALA 732 Cb -0.13 0.51 0.18 0.00 0.00 0.00 0.00 23.12 23.68 2qky s ALA 732 CO 0.17 -0.24 1.27 1.41 0.00 0.00 0.00 175.76 178.37 2qky s MET 733 N -3.81 0.02 0.34 0.00 0.00 -0.81 -4.86 119.30 110.17 2qky s MET 733 Ca 0.27 0.03 0.07 0.00 0.00 0.00 0.00 55.69 56.06 2qky s MET 733 Cb 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 34.83 34.89 2qky s MET 733 CO 0.13 -0.01 0.42 1.67 0.00 0.00 0.00 175.02 177.23 2qky s TRP 734 N 2.64 3.05 -0.34 4.11 -2.14 -1.26 -2.91 118.94 122.09 2qky s TRP 734 Ca -0.07 -0.25 -0.01 0.00 2.66 0.00 0.00 56.10 58.44 2qky s TRP 734 Cb -0.05 -1.95 0.12 0.00 -3.10 0.00 0.00 33.47 28.48 2qky s TRP 734 CO -0.10 0.03 0.16 0.71 -2.66 0.00 0.00 176.95 175.09 2qky s TYR 735 N -2.21 1.17 -0.43 1.66 2.02 -1.07 -4.92 117.35 113.57 2qky s TYR 735 Ca 0.44 -1.61 -0.40 0.00 -0.37 0.00 0.00 57.07 55.13 2qky s TYR 735 Cb -0.08 -1.35 -0.17 0.00 -0.40 0.00 0.00 41.96 39.96 2qky s TYR 735 CO 0.30 -0.84 1.44 2.41 -1.57 0.00 0.00 175.55 177.29 2qky n THR 736 N 4.53 0.00 -1.55 -0.71 -1.04 -1.26 -1.20 114.28 113.05 2qky n THR 736 Ca 0.02 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.84 2qky n THR 736 Cb 0.39 -0.43 -0.08 0.00 -1.82 0.00 0.00 70.33 68.40 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 3.90 -4.94 -4.85 8.00 8.00 -1.26 -4.87 116.55 120.52 2qky n ASP 737 Ca 0.30 0.46 -0.36 0.00 0.71 0.00 0.00 54.79 55.90 2qky n ASP 737 Cb -0.05 -4.41 -0.06 0.00 -0.02 0.00 0.00 41.12 36.58 2qky n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qky s GLU 738 N -3.60 3.88 0.00 -1.24 0.41 -0.34 -4.73 118.70 113.08 2qky s GLU 738 Ca 0.00 0.35 0.00 0.00 -0.41 0.00 0.00 54.97 54.91 2qky s GLU 738 Cb 0.00 -3.04 0.00 0.00 -1.78 0.00 0.00 34.13 29.31 2qky s GLU 738 CO 0.00 0.57 0.00 -0.40 -0.49 0.00 0.00 175.26 174.94 2qky n ASP 739 N 1.13 0.00 0.22 -0.19 5.68 -1.25 -2.19 116.55 119.95 2qky n ASP 739 Ca -0.09 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.35 2qky n ASP 739 Cb 0.52 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.24 2qky n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2qky h HIS 740 N 0.00 0.00 -0.00 2.11 -0.00 -1.90 -2.63 115.15 112.73 2qky h HIS 740 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2qky h HIS 740 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2qky h HIS 740 CO 0.00 0.00 -0.67 0.41 -0.00 0.00 0.00 177.93 177.67 2qky n GLY 741 N -0.68 -0.40 3.70 5.26 0.00 -1.26 -4.95 105.19 106.86 2qky n GLY 741 Ca -0.01 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 2qky n GLY 741 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qky n ILE 742 N -1.17 -1.97 0.09 -0.61 5.41 -0.99 -4.83 119.36 115.30 2qky n ILE 742 Ca 0.04 -0.21 0.06 0.00 1.00 0.00 0.00 62.75 63.63 2qky n ILE 742 Cb 0.26 -1.71 -0.09 0.00 -0.71 0.00 0.00 39.64 37.39 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 -2.92 2.64 -1.34 -1.39 0.00 -1.26 -3.97 120.51 112.27 2qky n ALA 743 Ca -0.15 -0.30 -0.41 0.00 0.00 0.00 0.00 53.44 52.58 2qky n ALA 743 Cb 0.43 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.82 -2.32 -0.24 0.00 3.41 -1.26 -4.44 113.62 106.94 2qky n SER 744 Ca -0.01 0.82 0.04 0.00 -0.26 0.00 0.00 58.87 59.45 2qky n SER 744 Cb 0.30 -0.96 0.16 0.00 -0.26 0.00 0.00 64.21 63.46 2qky n SER 744 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2qky h SER 745 N 0.41 0.25 -0.04 4.04 0.87 -1.99 0.38 113.55 117.47 2qky h SER 745 Ca -0.39 0.10 -0.24 0.00 -1.23 0.00 0.00 61.79 60.04 2qky h SER 745 Cb 1.43 0.09 0.02 0.00 -0.44 0.00 0.00 62.40 63.49 2qky h SER 745 CO 0.48 0.11 -0.90 0.71 -0.53 0.00 0.00 176.83 176.69 2qky h THR 746 N 0.43 1.30 0.20 2.23 1.35 -1.99 -2.74 112.91 113.68 2qky h THR 746 Ca 0.38 -2.14 -0.01 0.00 -0.55 0.00 0.00 66.41 64.09 2qky h THR 746 Cb 0.56 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 2qky h THR 746 CO -0.38 0.66 -0.10 0.00 -0.25 0.00 0.00 175.52 175.45 2qky h ALA 747 N 0.43 -0.27 -0.77 6.62 0.00 -1.85 0.37 119.26 123.79 2qky h ALA 747 Ca -0.10 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 54.84 2qky h ALA 747 Cb 1.56 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 19.31 2qky h ALA 747 CO 0.18 -0.57 -0.19 1.25 0.00 0.00 0.00 179.25 179.91 2qky h HIS 748 N -0.43 -0.41 -0.12 0.00 2.76 -0.99 0.90 115.15 116.87 2qky h HIS 748 Ca -0.03 0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2qky h HIS 748 Cb 0.33 0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.59 2qky h HIS 748 CO -0.02 -0.33 0.02 1.96 -1.30 0.00 0.00 177.93 178.26 2qky h GLN 749 N -0.00 0.20 -0.15 5.26 4.20 -1.21 -2.82 115.11 120.60 2qky h GLN 749 Ca 0.37 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 59.03 2qky h GLN 749 Cb 0.56 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2qky h GLN 749 CO -0.79 0.40 0.08 1.25 -0.67 0.00 0.00 178.83 179.10 2qky h HIS 750 N -0.03 0.16 0.69 2.96 2.76 0.33 -2.58 115.15 119.43 2qky h HIS 750 Ca 0.04 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 2qky h HIS 750 Cb 0.30 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 2qky h HIS 750 CO 0.02 0.09 -0.42 0.97 -1.30 0.00 0.00 177.93 177.29 2qky h ILE 751 N 0.18 0.14 -0.13 6.26 2.10 0.60 -0.70 117.51 125.96 2qky h ILE 751 Ca 0.06 0.00 0.04 0.00 1.08 0.00 0.00 64.86 66.03 2qky h ILE 751 Cb -0.00 0.14 -0.01 0.00 -1.09 0.00 0.00 36.82 35.87 2qky h ILE 751 CO -0.03 0.00 0.40 1.88 -1.08 0.00 0.00 178.15 179.32 2qky h TYR 752 N -1.05 0.00 0.05 2.19 0.05 -1.44 0.12 116.97 116.89 2qky h TYR 752 Ca -0.09 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.39 2qky h TYR 752 Cb 0.85 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.55 2qky h TYR 752 CO -0.10 0.00 -1.69 1.15 -1.05 0.00 0.00 178.16 176.47 2qky h THR 753 N 0.00 0.92 -0.25 -2.88 2.02 -0.99 -2.52 112.91 109.21 2qky h THR 753 Ca 0.06 -2.69 -0.11 0.00 0.77 0.00 0.00 66.41 64.44 2qky h THR 753 Cb 0.86 2.54 -0.00 0.00 -1.74 0.00 0.00 68.15 69.81 2qky h THR 753 CO -0.00 0.68 -0.25 -0.74 0.37 0.00 0.00 175.52 175.58 2qky h HIS 754 N 0.03 0.74 -0.27 3.16 -0.00 0.68 -2.67 115.15 116.82 2qky h HIS 754 Ca -0.29 -0.22 -0.10 0.00 -0.00 0.00 0.00 60.37 59.76 2qky h HIS 754 Cb 2.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 29.24 2qky h HIS 754 CO 0.03 0.94 -0.27 0.52 -0.00 0.00 0.00 177.93 179.14 2qky h MET 755 N 0.33 0.53 -0.74 5.26 2.07 -1.26 -2.61 114.93 118.50 2qky h MET 755 Ca 0.04 -0.21 -0.05 0.00 -2.07 0.00 0.00 59.70 57.41 2qky h MET 755 Cb 0.81 -0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 30.49 2qky h MET 755 CO 0.06 0.75 0.27 0.77 1.07 0.00 0.00 176.91 179.84 2qky h SER 756 N 0.46 1.02 -0.36 1.22 0.02 -1.38 -2.00 113.55 112.53 2qky h SER 756 Ca 0.06 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.76 2qky h SER 756 Cb 0.72 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2qky h SER 756 CO 0.05 0.92 -0.12 0.45 -1.14 0.00 0.00 176.83 177.00 2qky h HIS 757 N 1.08 0.82 -0.86 3.45 3.86 -1.28 -1.65 115.15 120.55 2qky h HIS 757 Ca 0.24 -0.19 0.20 0.00 -1.16 0.00 0.00 60.37 59.47 2qky h HIS 757 Cb 0.24 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.45 2qky h HIS 757 CO 0.02 0.89 0.58 0.35 0.86 0.00 0.00 177.93 180.63 2qky h PHE 758 N 0.51 0.44 0.10 2.45 3.57 -1.08 0.26 116.94 123.19 2qky h PHE 758 Ca 0.09 0.01 -0.24 0.00 3.53 0.00 0.00 57.97 61.36 2qky h PHE 758 Cb 0.65 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 2qky h PHE 758 CO 0.05 0.12 -1.19 0.82 -2.23 0.00 0.00 178.31 175.89 2qky h ILE 759 N 0.34 1.16 -0.33 1.41 1.08 -1.12 -2.26 117.51 117.78 2qky h ILE 759 Ca 0.44 -2.40 -0.06 0.00 -0.39 0.00 0.00 64.86 62.45 2qky h ILE 759 Cb 1.19 2.81 -0.02 0.00 -3.07 0.00 0.00 36.82 37.73 2qky h ILE 759 CO -0.14 0.67 -0.05 0.11 -0.69 0.00 0.00 178.15 178.04 2qky h LYS 760 N -0.42 0.54 0.09 2.37 1.57 -0.83 -0.45 116.57 119.43 2qky h LYS 760 Ca -0.26 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2qky h LYS 760 Cb 1.65 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.89 2qky h LYS 760 CO 0.05 0.60 -0.04 0.37 -0.57 0.00 0.00 179.45 179.86 2qky h GLN 761 N 0.51 -0.12 -0.75 3.15 -0.00 -0.62 -2.12 115.11 115.17 2qky h GLN 761 Ca 0.10 0.01 0.08 0.00 -0.00 0.00 0.00 58.65 58.84 2qky h GLN 761 Cb 0.41 0.03 -0.05 0.00 0.00 0.00 0.00 27.48 27.87 2qky h GLN 761 CO 0.02 0.31 0.49 0.00 0.00 0.00 0.00 178.83 179.65 2qky n PHE 763 N -4.49 1.15 -1.40 0.00 3.72 -0.21 -4.98 117.46 111.24 2qky n PHE 763 Ca 0.12 -0.45 -0.02 0.00 -0.05 0.00 0.00 57.45 57.06 2qky n PHE 763 Cb 0.28 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 2qky n PHE 763 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2qky n SER 764 N 0.72 -0.22 -0.10 4.37 3.41 0.07 -4.89 113.62 116.98 2qky n SER 764 Ca 0.19 -0.01 -0.19 0.00 -0.26 0.00 0.00 58.87 58.60 2qky n SER 764 Cb 0.71 -0.07 -0.09 0.00 -0.26 0.00 0.00 64.21 64.51 2qky n SER 764 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qky n LEU 765 N -0.13 1.86 -0.37 1.04 7.99 -1.17 -5.07 117.00 121.15 2qky n LEU 765 Ca -0.01 0.46 0.14 0.00 -0.01 0.00 0.00 56.01 56.60 2qky n LEU 765 Cb 0.03 -0.93 0.62 0.00 -0.11 0.00 0.00 43.42 43.03 2qky n LEU 765 CO 0.02 0.13 0.93 -0.81 -1.51 0.00 0.00 177.39 176.15