#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hac n ARG 40 N 0.00 1.35 -0.74 -2.82 1.74 -1.26 -4.96 116.66 109.96 3hac n ARG 40 Ca 0.00 0.49 -0.30 0.00 -0.77 0.00 0.00 57.85 57.27 3hac n ARG 40 Cb 0.00 -2.06 0.19 0.00 -1.02 0.00 0.00 32.46 29.57 3hac n ARG 40 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3hac s LYS 41 N -2.05 0.39 0.48 5.56 -2.85 -1.23 -4.61 119.74 115.44 3hac s LYS 41 Ca 0.64 1.17 0.08 0.00 -1.00 0.00 0.00 55.97 56.85 3hac s LYS 41 Cb -0.55 -1.68 0.03 0.00 -2.06 0.00 0.00 37.83 33.57 3hac s LYS 41 CO 0.56 -2.94 0.60 0.95 0.10 0.00 0.00 175.35 174.62 3hac s THR 42 N -2.63 2.53 -0.47 3.79 -4.23 -1.26 -0.81 115.64 112.55 3hac s THR 42 Ca 0.67 -1.10 -0.24 0.00 -1.18 0.00 0.00 61.69 59.84 3hac s THR 42 Cb -0.23 -2.63 0.03 0.00 1.34 0.00 0.00 72.50 71.01 3hac s THR 42 CO 0.60 0.00 0.84 -0.47 -0.54 0.00 0.00 174.62 175.05 3hac s TYR 43 N -2.52 2.94 0.52 3.99 5.04 -1.26 -4.83 117.35 121.24 3hac s TYR 43 Ca 0.54 0.16 0.04 0.00 -2.44 0.00 0.00 57.07 55.38 3hac s TYR 43 Cb -0.07 -3.80 0.04 0.00 0.35 0.00 0.00 41.96 38.48 3hac s TYR 43 CO 0.33 -1.08 0.71 0.95 -1.34 0.00 0.00 175.55 175.13 3hac s THR 44 N 3.49 2.71 0.16 4.34 -4.23 -1.26 -3.88 115.64 116.96 3hac s THR 44 Ca 0.31 -0.82 -0.14 0.00 -1.18 0.00 0.00 61.69 59.87 3hac s THR 44 Cb -0.12 -2.89 0.05 0.00 1.34 0.00 0.00 72.50 70.88 3hac s THR 44 CO 0.23 0.00 1.74 0.25 -0.54 0.00 0.00 174.62 176.30 3hac h LEU 45 N 0.25 0.70 -1.25 4.79 5.85 -1.96 -2.31 115.31 121.39 3hac h LEU 45 Ca -0.40 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 3hac h LEU 45 Cb 1.29 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3hac h LEU 45 CO 0.47 0.64 0.35 0.74 -0.34 0.00 0.00 178.44 180.30 3hac h THR 46 N 0.71 1.19 -0.16 1.05 2.02 -1.97 0.56 112.91 116.31 3hac h THR 46 Ca 0.18 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.94 3hac h THR 46 Cb 0.13 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 66.83 3hac h THR 46 CO -0.02 0.21 -0.16 0.44 0.37 0.00 0.00 175.52 176.36 3hac h ASP 47 N 0.88 -0.49 -0.04 4.18 3.45 -1.81 0.43 116.42 123.01 3hac h ASP 47 Ca 0.22 0.10 -0.00 0.00 0.43 0.00 0.00 57.03 57.78 3hac h ASP 47 Cb 0.02 0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 39.03 3hac h ASP 47 CO -0.04 -0.20 0.02 0.22 -1.57 0.00 0.00 179.24 177.67 3hac h TYR 48 N -0.18 0.05 0.00 4.55 3.20 -0.95 -1.03 116.97 122.61 3hac h TYR 48 Ca 0.11 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.87 3hac h TYR 48 Cb 0.33 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3hac h TYR 48 CO -0.29 0.12 -0.50 -0.07 -1.64 0.00 0.00 178.16 175.78 3hac h LEU 49 N -0.03 0.00 -1.10 2.82 3.38 -0.60 -3.03 115.31 116.75 3hac h LEU 49 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hac h LEU 49 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3hac h LEU 49 CO -0.00 0.50 -0.38 0.29 0.09 0.00 0.00 178.44 178.94 3hac n LYS 50 N -3.90 1.36 -3.53 1.13 4.76 0.15 -4.98 118.16 113.14 3hac n LYS 50 Ca -0.01 -1.10 -0.21 0.00 -2.87 0.00 0.00 58.31 54.12 3hac n LYS 50 Cb 0.52 -1.48 0.08 0.00 -1.84 0.00 0.00 35.03 32.32 3hac n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3hac n ASN 51 N 0.14 -4.05 0.19 4.39 2.85 -0.42 -4.90 115.26 113.45 3hac n ASN 51 Ca 0.10 -0.60 0.06 0.00 -0.11 0.00 0.00 54.58 54.03 3hac n ASN 51 Cb 0.48 -5.01 0.36 0.00 1.24 0.00 0.00 39.78 36.85 3hac n ASN 51 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hac h THR 52 N -2.27 0.91 -3.47 -0.44 1.03 -1.75 -3.37 112.91 103.54 3hac h THR 52 Ca -0.58 -1.46 -0.71 0.00 -0.01 0.00 0.00 66.41 63.65 3hac h THR 52 Cb 1.36 1.88 -0.33 0.00 -1.07 0.00 0.00 68.15 69.99 3hac h THR 52 CO 0.54 0.36 -0.43 -0.31 -0.01 0.00 0.00 175.52 175.67 3hac s TYR 53 N -3.68 3.51 -0.20 0.00 2.02 -1.26 -5.08 117.35 112.65 3hac s TYR 53 Ca -0.00 -2.34 -0.09 0.00 -0.37 0.00 0.00 57.07 54.27 3hac s TYR 53 Cb 0.11 -3.32 -0.05 0.00 -0.40 0.00 0.00 41.96 38.31 3hac s TYR 53 CO 0.69 -0.94 0.11 0.50 -1.57 0.00 0.00 175.55 174.33 3hac s ARG 54 N 0.82 4.12 0.05 -0.62 3.52 -1.26 -5.06 118.95 120.53 3hac s ARG 54 Ca 0.10 -0.26 -0.31 0.00 -0.13 0.00 0.00 55.73 55.14 3hac s ARG 54 Cb -0.22 -3.37 -0.06 0.00 -1.56 0.00 0.00 34.95 29.73 3hac s ARG 54 CO -0.03 0.27 1.29 -0.51 -0.81 0.00 0.00 175.30 175.51 3hac s LEU 55 N 0.42 4.35 0.16 -0.88 1.43 -1.26 -4.77 118.68 118.13 3hac s LEU 55 Ca 0.07 2.10 -0.22 0.00 -1.03 0.00 0.00 54.13 55.05 3hac s LEU 55 Cb -0.12 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.45 3hac s LEU 55 CO -0.01 -0.57 0.71 -0.54 0.23 0.00 0.00 176.35 176.16 3hac s LYS 56 N 1.41 4.38 0.50 1.70 1.02 -1.26 -5.09 119.74 122.41 3hac s LYS 56 Ca 0.61 0.96 0.06 0.00 0.02 0.00 0.00 55.97 57.63 3hac s LYS 56 Cb -0.31 -3.14 0.02 0.00 -0.52 0.00 0.00 37.83 33.87 3hac s LYS 56 CO 0.28 0.54 0.38 -0.51 -0.92 0.00 0.00 175.35 175.13 3hac s LEU 57 N -1.38 2.93 -0.39 3.17 1.02 -1.26 -4.89 118.68 117.88 3hac s LEU 57 Ca 0.36 -1.09 0.03 0.00 0.02 0.00 0.00 54.13 53.44 3hac s LEU 57 Cb -0.20 -1.44 0.16 0.00 0.02 0.00 0.00 46.19 44.73 3hac s LEU 57 CO 0.23 -0.94 0.31 -0.47 0.02 0.00 0.00 176.35 175.50 3hac s TYR 58 N -2.68 0.81 -0.46 0.29 6.14 -1.26 -4.95 117.35 115.25 3hac s TYR 58 Ca 0.39 -1.97 -0.22 0.00 0.64 0.00 0.00 57.07 55.91 3hac s TYR 58 Cb -0.02 -0.85 0.03 0.00 0.42 0.00 0.00 41.96 41.55 3hac s TYR 58 CO 0.24 -0.85 0.73 -1.12 0.64 0.00 0.00 175.55 175.19 3hac s SER 59 N 0.48 6.36 0.29 4.32 0.01 -1.26 -5.04 113.70 118.86 3hac s SER 59 Ca 0.27 -0.28 0.09 0.00 1.31 0.00 0.00 55.95 57.34 3hac s SER 59 Cb -0.06 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 3hac s SER 59 CO -0.12 -0.89 0.06 -1.48 0.41 0.00 0.00 173.24 171.22 3hac s LEU 60 N 3.12 3.26 -0.22 2.44 0.05 -1.26 -4.57 118.68 121.50 3hac s LEU 60 Ca 0.26 -0.67 0.00 0.00 0.05 0.00 0.00 54.13 53.77 3hac s LEU 60 Cb -0.13 -1.76 0.05 0.00 -2.05 0.00 0.00 46.19 42.30 3hac s LEU 60 CO 0.20 -0.11 -0.05 -0.13 -0.55 0.00 0.00 176.35 175.71 3hac s ARG 61 N -3.75 1.55 0.07 1.48 0.52 -0.31 -4.93 118.95 113.58 3hac s ARG 61 Ca 0.34 -0.84 -0.31 0.00 -0.52 0.00 0.00 55.73 54.40 3hac s ARG 61 Cb -0.05 -2.43 -0.08 0.00 0.52 0.00 0.00 34.95 32.92 3hac s ARG 61 CO 0.21 -0.55 1.53 -1.58 0.02 0.00 0.00 175.30 174.93 3hac s TRP 62 N 1.48 2.74 -0.54 -0.53 0.52 -1.26 0.06 118.94 121.41 3hac s TRP 62 Ca -0.04 0.59 0.12 0.00 0.02 0.00 0.00 56.10 56.79 3hac s TRP 62 Cb -0.18 -3.83 -0.13 0.00 -1.15 0.00 0.00 33.47 28.18 3hac s TRP 62 CO -0.07 -3.19 0.49 0.44 0.02 0.00 0.00 176.95 174.64 3hac n ILE 63 N 4.50 0.00 -2.89 2.03 -5.35 -0.51 -4.93 119.36 112.21 3hac n ILE 63 Ca 0.14 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 3hac n ILE 63 Cb 0.41 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 3hac n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3hac n SER 64 N -1.30 0.00 0.10 7.28 3.41 -1.16 -4.98 113.62 116.96 3hac n SER 64 Ca 0.02 -0.82 0.12 0.00 -0.26 0.00 0.00 58.87 57.92 3hac n SER 64 Cb 0.19 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.59 3hac n SER 64 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3hac n ASP 65 N -0.93 0.57 0.00 4.04 5.75 -1.26 -2.48 116.55 122.25 3hac n ASP 65 Ca 0.00 0.61 0.00 0.00 -0.01 0.00 0.00 54.79 55.39 3hac n ASP 65 Cb 0.00 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 39.35 3hac n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hac n HIS 66 N -2.09 0.00 -4.54 2.11 1.44 -1.26 -4.38 115.22 106.50 3hac n HIS 66 Ca 0.04 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.53 3hac n HIS 66 Cb 0.29 0.02 -0.14 0.00 0.12 0.00 0.00 29.99 30.28 3hac n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3hac s GLU 67 N 0.00 1.08 0.11 -1.40 2.02 -1.26 -0.74 118.70 118.51 3hac s GLU 67 Ca 0.00 -0.62 0.04 0.00 0.02 0.00 0.00 54.97 54.40 3hac s GLU 67 Cb 0.00 -1.07 -0.04 0.00 0.10 0.00 0.00 34.13 33.12 3hac s GLU 67 CO 0.00 0.28 -0.10 1.52 0.02 0.00 0.00 175.26 176.98 3hac s TYR 68 N -0.55 1.09 -0.11 1.61 -0.85 -0.85 -1.43 117.35 116.26 3hac s TYR 68 Ca 0.04 -0.70 -0.07 0.00 -0.52 0.00 0.00 57.07 55.81 3hac s TYR 68 Cb -0.06 -0.59 -0.04 0.00 0.38 0.00 0.00 41.96 41.65 3hac s TYR 68 CO 0.00 0.00 0.16 -0.51 -1.52 0.00 0.00 175.55 173.68 3hac s LEU 69 N -2.65 4.40 -0.02 -3.49 1.43 0.11 -0.37 118.68 118.08 3hac s LEU 69 Ca 0.08 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 3hac s LEU 69 Cb -0.01 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 44.12 3hac s LEU 69 CO -0.00 0.40 0.02 -0.47 0.23 0.00 0.00 176.35 176.53 3hac s TYR 70 N -1.04 0.05 -0.24 0.29 5.04 -0.16 -1.16 117.35 120.12 3hac s TYR 70 Ca 0.16 0.09 -0.22 0.00 -2.44 0.00 0.00 57.07 54.65 3hac s TYR 70 Cb -0.12 -0.20 -0.01 0.00 0.35 0.00 0.00 41.96 41.98 3hac s TYR 70 CO 0.05 -0.07 0.72 0.21 -1.34 0.00 0.00 175.55 175.12 3hac s LYS 71 N 0.81 4.15 -0.08 4.97 2.20 -1.26 -0.16 119.74 130.36 3hac s LYS 71 Ca -0.07 0.73 -0.02 0.00 -0.36 0.00 0.00 55.97 56.26 3hac s LYS 71 Cb -0.10 -3.64 0.03 0.00 -1.51 0.00 0.00 37.83 32.61 3hac s LYS 71 CO -0.02 -0.45 0.02 -1.14 -0.36 0.00 0.00 175.35 173.40 3hac s GLN 72 N 2.61 0.47 -1.35 4.03 0.74 -0.62 -4.84 119.66 120.70 3hac s GLN 72 Ca 0.30 0.09 -0.05 0.00 0.05 0.00 0.00 55.36 55.75 3hac s GLN 72 Cb -0.15 -1.05 0.01 0.00 1.10 0.00 0.00 33.01 32.91 3hac s GLN 72 CO 0.08 -0.36 0.70 0.39 -0.55 0.00 0.00 175.29 175.55 3hac n GLU 73 N 5.17 -5.21 -0.61 1.67 1.02 -1.26 -2.34 120.64 119.07 3hac n GLU 73 Ca -0.07 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 3hac n GLU 73 Cb 0.50 -5.51 0.00 0.00 -0.02 0.00 0.00 31.44 26.41 3hac n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hac n ASN 74 N -2.22 0.00 -4.83 1.62 5.03 -1.26 -4.86 115.26 108.73 3hac n ASN 74 Ca -0.07 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.05 3hac n ASN 74 Cb 0.59 -1.51 -0.05 0.00 -1.02 0.00 0.00 39.78 37.79 3hac n ASN 74 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3hac s ASN 75 N -2.41 6.74 -0.26 6.41 0.01 -0.99 -4.08 114.94 120.36 3hac s ASN 75 Ca 0.00 1.61 -0.09 0.00 -0.71 0.00 0.00 52.86 53.67 3hac s ASN 75 Cb 0.00 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 3hac s ASN 75 CO 0.00 -0.50 0.13 -0.63 -1.51 0.00 0.00 177.10 174.59 3hac s ILE 76 N -2.46 4.80 0.01 0.60 1.01 -0.52 -1.60 121.20 123.04 3hac s ILE 76 Ca 0.60 -0.01 -0.02 0.00 0.00 0.00 0.00 60.65 61.23 3hac s ILE 76 Cb -0.10 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 3hac s ILE 76 CO 0.24 0.30 0.17 -0.76 0.00 0.00 0.00 174.94 174.89 3hac s LEU 77 N 1.68 4.26 -0.20 2.97 1.43 0.77 -0.31 118.68 129.29 3hac s LEU 77 Ca 0.07 0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 3hac s LEU 77 Cb -0.16 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 3hac s LEU 77 CO 0.07 0.24 0.02 0.54 0.23 0.00 0.00 176.35 177.45 3hac s VAL 78 N -1.34 4.18 -0.07 -1.59 0.11 0.26 -0.99 120.40 120.96 3hac s VAL 78 Ca 0.28 -0.24 -0.01 0.00 -2.93 0.00 0.00 61.98 59.08 3hac s VAL 78 Cb -0.13 -2.89 -0.03 0.00 -1.53 0.00 0.00 36.38 31.80 3hac s VAL 78 CO 0.20 0.43 -0.01 -0.36 -3.33 0.00 0.00 175.10 172.03 3hac s PHE 79 N 0.87 3.12 -0.34 1.54 0.08 0.50 -1.72 117.98 122.04 3hac s PHE 79 Ca 0.02 0.16 -0.23 0.00 0.12 0.00 0.00 56.93 57.00 3hac s PHE 79 Cb -0.14 -1.76 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 3hac s PHE 79 CO 0.02 0.45 0.76 1.21 -0.10 0.00 0.00 175.22 177.57 3hac s ASN 80 N -0.96 6.58 0.19 1.36 3.84 -0.18 -2.01 114.94 123.76 3hac s ASN 80 Ca 0.14 0.46 -0.12 0.00 0.21 0.00 0.00 52.86 53.55 3hac s ASN 80 Cb -0.11 -2.39 0.14 0.00 -0.55 0.00 0.00 41.25 38.34 3hac s ASN 80 CO 0.03 -0.66 1.82 0.00 -2.79 0.00 0.00 177.10 175.50 3hac h ALA 81 N 8.32 0.74 -0.52 1.71 0.00 -1.26 0.22 119.26 128.47 3hac h ALA 81 Ca -0.25 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3hac h ALA 81 Cb 1.10 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3hac h ALA 81 CO 0.89 0.04 0.33 1.49 0.00 0.00 0.00 179.25 182.00 3hac h GLU 82 N 0.65 0.64 0.00 0.00 4.81 -1.94 -3.34 114.58 115.40 3hac h GLU 82 Ca 0.24 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3hac h GLU 82 Cb 0.06 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3hac h GLU 82 CO -0.12 0.42 -1.27 0.66 -0.73 0.00 0.00 179.01 177.97 3hac n TYR 83 N -4.76 0.00 -0.49 0.92 4.02 -1.20 -5.02 117.16 110.63 3hac n TYR 83 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 3hac n TYR 83 Cb 0.05 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.20 3hac n TYR 83 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hac n GLY 84 N 1.93 1.15 3.80 2.72 0.00 0.77 -5.04 105.19 110.52 3hac n GLY 84 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3hac n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hac s ASN 85 N -3.09 5.87 0.20 1.61 4.22 -1.26 -4.74 114.94 117.76 3hac s ASN 85 Ca 0.00 1.88 0.00 0.00 -2.14 0.00 0.00 52.86 52.60 3hac s ASN 85 Cb 0.00 -2.54 -0.04 0.00 1.28 0.00 0.00 41.25 39.94 3hac s ASN 85 CO 0.00 -1.11 0.09 -0.94 -2.04 0.00 0.00 177.10 173.10 3hac s SER 86 N -2.51 0.65 0.12 3.54 1.04 -1.26 -1.01 113.70 114.28 3hac s SER 86 Ca 0.65 -1.33 -0.04 0.00 0.48 0.00 0.00 55.95 55.71 3hac s SER 86 Cb -0.17 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 3hac s SER 86 CO 0.32 -0.75 0.12 -0.44 0.98 0.00 0.00 173.24 173.48 3hac s SER 87 N -3.19 0.24 -0.15 7.02 0.01 -0.70 -4.99 113.70 111.94 3hac s SER 87 Ca 0.34 -1.00 -0.29 0.00 1.31 0.00 0.00 55.95 56.31 3hac s SER 87 Cb 0.07 0.32 -0.01 0.00 0.21 0.00 0.00 66.02 66.61 3hac s SER 87 CO 0.10 -0.75 1.22 -0.69 0.41 0.00 0.00 173.24 173.52 3hac s VAL 88 N -3.98 4.34 -0.16 3.43 1.01 -1.26 -0.57 120.40 123.20 3hac s VAL 88 Ca 0.16 1.62 -0.25 0.00 0.00 0.00 0.00 61.98 63.52 3hac s VAL 88 Cb 0.06 -4.05 -0.22 0.00 0.00 0.00 0.00 36.38 32.17 3hac s VAL 88 CO -0.03 -0.11 0.51 0.15 0.00 0.00 0.00 175.10 175.62 3hac h PHE 89 N 7.95 0.00 -2.87 5.22 3.04 -0.96 -3.46 116.94 125.86 3hac h PHE 89 Ca -0.27 0.00 -0.41 0.00 3.98 0.00 0.00 57.97 61.27 3hac h PHE 89 Cb 1.11 0.00 -0.39 0.00 2.56 0.00 0.00 35.95 39.23 3hac h PHE 89 CO 0.78 1.13 -0.71 -1.17 -2.02 0.00 0.00 178.31 176.32 3hac s LEU 90 N -8.10 0.18 0.38 0.59 2.96 -0.83 -5.02 118.68 108.85 3hac s LEU 90 Ca -0.22 -0.47 -0.28 0.00 -0.22 0.00 0.00 54.13 52.94 3hac s LEU 90 Cb 0.01 -0.02 -0.11 0.00 0.50 0.00 0.00 46.19 46.56 3hac s LEU 90 CO 0.62 -0.34 1.42 1.21 -1.32 0.00 0.00 176.35 177.94 3hac n GLU 91 N 5.29 2.47 0.04 1.98 2.13 -1.26 -1.44 120.64 129.86 3hac n GLU 91 Ca -0.06 0.87 0.21 0.00 0.66 0.00 0.00 57.16 58.83 3hac n GLU 91 Cb 0.49 -2.57 0.73 0.00 0.27 0.00 0.00 31.44 30.37 3hac n GLU 91 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 3hac h ASN 92 N 2.75 0.00 0.24 4.31 7.08 -1.90 -1.84 115.58 126.22 3hac h ASN 92 Ca -0.49 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.73 3hac h ASN 92 Cb 1.26 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.50 3hac h ASN 92 CO 0.63 0.00 -0.28 -1.54 -2.08 0.00 0.00 177.43 174.17 3hac n SER 93 N -3.99 1.02 -0.29 6.14 3.41 -1.26 -4.40 113.62 114.25 3hac n SER 93 Ca 0.09 -0.87 0.18 0.00 -0.26 0.00 0.00 58.87 58.00 3hac n SER 93 Cb 0.62 0.15 0.45 0.00 -0.26 0.00 0.00 64.21 65.18 3hac n SER 93 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3hac h THR 94 N 1.17 0.67 -0.85 6.66 2.02 -1.70 -2.38 112.91 118.50 3hac h THR 94 Ca 0.00 -0.18 -0.57 0.00 0.77 0.00 0.00 66.41 66.43 3hac h THR 94 Cb 0.51 0.11 -0.41 0.00 -1.74 0.00 0.00 68.15 66.62 3hac h THR 94 CO 0.00 0.09 -0.58 0.49 0.37 0.00 0.00 175.52 175.89 3hac n PHE 95 N -4.60 2.86 -0.13 3.16 3.72 -1.26 -4.72 117.46 116.50 3hac n PHE 95 Ca 0.21 -2.39 -0.12 0.00 -0.05 0.00 0.00 57.45 55.10 3hac n PHE 95 Cb 0.68 -0.47 -0.02 0.00 -0.94 0.00 0.00 39.48 38.73 3hac n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3hac h ASP 96 N 2.20 0.91 -0.74 4.37 3.32 -1.71 -3.09 116.42 121.67 3hac h ASP 96 Ca 0.40 -0.43 -0.30 0.00 0.02 0.00 0.00 57.03 56.71 3hac h ASP 96 Cb 1.39 -0.25 -0.18 0.00 0.22 0.00 0.00 39.33 40.50 3hac h ASP 96 CO 0.88 1.15 0.38 -0.62 -1.72 0.00 0.00 179.24 179.31 3hac n GLU 97 N -4.17 2.82 0.07 3.56 4.71 -1.26 -4.38 120.64 121.99 3hac n GLU 97 Ca -0.02 -2.63 -0.04 0.00 -0.01 0.00 0.00 57.16 54.46 3hac n GLU 97 Cb 0.47 -2.06 0.18 0.00 -1.01 0.00 0.00 31.44 29.02 3hac n GLU 97 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 3hac h PHE 98 N 1.70 0.36 0.00 -0.32 3.57 -1.87 -3.47 116.94 116.91 3hac h PHE 98 Ca 0.37 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3hac h PHE 98 Cb 2.35 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 41.01 3hac h PHE 98 CO 1.24 0.71 0.00 0.41 -2.23 0.00 0.00 178.31 178.44 3hac n GLY 99 N -0.04 1.09 3.05 2.40 0.00 -1.26 -5.02 105.19 105.41 3hac n GLY 99 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 3hac n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hac s HIS 100 N -2.64 0.65 -0.10 1.61 3.76 -1.26 -5.13 115.29 112.18 3hac s HIS 100 Ca 0.00 -0.45 -0.30 0.00 -0.15 0.00 0.00 55.06 54.16 3hac s HIS 100 Cb 0.00 -0.39 -0.02 0.00 1.11 0.00 0.00 32.58 33.28 3hac s HIS 100 CO 0.00 -0.08 1.17 0.45 -0.85 0.00 0.00 174.74 175.44 3hac s SER 101 N -1.41 7.06 -0.23 1.40 0.15 -1.26 -5.01 113.70 114.40 3hac s SER 101 Ca -0.09 1.71 -0.25 0.00 0.70 0.00 0.00 55.95 58.03 3hac s SER 101 Cb -0.09 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.66 3hac s SER 101 CO 0.00 -0.61 0.82 -0.63 1.20 0.00 0.00 173.24 174.03 3hac s ILE 102 N 2.54 4.85 0.07 6.45 1.01 -1.26 -4.45 121.20 130.41 3hac s ILE 102 Ca 0.53 1.56 -0.11 0.00 0.00 0.00 0.00 60.65 62.64 3hac s ILE 102 Cb -0.22 -4.11 -0.27 0.00 0.01 0.00 0.00 42.46 37.87 3hac s ILE 102 CO 0.18 -0.04 1.15 -1.13 0.00 0.00 0.00 174.94 175.10 3hac h ASN 103 N 7.60 0.75 -5.23 3.58 -1.24 -0.58 -3.49 115.58 116.96 3hac h ASN 103 Ca -0.25 -0.68 0.13 0.00 0.71 0.00 0.00 56.30 56.21 3hac h ASN 103 Cb 1.10 -0.24 -0.05 0.00 0.73 0.00 0.00 38.32 39.86 3hac h ASN 103 CO 0.86 1.50 0.42 -0.62 -1.29 0.00 0.00 177.43 178.30 3hac s ASP 104 N -7.32 -0.14 0.11 1.15 -1.08 -1.15 -5.02 116.67 103.22 3hac s ASP 104 Ca -0.08 -0.60 -0.05 0.00 -0.52 0.00 0.00 52.55 51.30 3hac s ASP 104 Cb 0.06 0.59 -0.02 0.00 -1.46 0.00 0.00 42.92 42.09 3hac s ASP 104 CO 0.91 -1.12 0.14 -0.72 0.52 0.00 0.00 175.17 174.91 3hac s TYR 105 N -3.08 0.47 -0.20 -5.34 1.13 -1.26 -0.90 117.35 108.17 3hac s TYR 105 Ca 0.14 -0.89 -0.06 0.00 -1.41 0.00 0.00 57.07 54.86 3hac s TYR 105 Cb -0.03 -0.22 0.10 0.00 -1.10 0.00 0.00 41.96 40.70 3hac s TYR 105 CO 0.05 -0.56 0.39 0.45 -2.51 0.00 0.00 175.55 173.37 3hac s SER 106 N -2.95 -0.06 0.06 -0.18 0.15 0.17 -4.97 113.70 105.92 3hac s SER 106 Ca 0.14 0.76 -0.20 0.00 0.70 0.00 0.00 55.95 57.34 3hac s SER 106 Cb 0.06 1.21 -0.06 0.00 -1.71 0.00 0.00 66.02 65.52 3hac s SER 106 CO -0.04 -0.25 0.59 -0.63 1.20 0.00 0.00 173.24 174.11 3hac s ILE 107 N 2.57 4.76 0.42 6.45 1.01 -1.26 0.41 121.20 135.56 3hac s ILE 107 Ca 0.02 1.26 -0.26 0.00 0.00 0.00 0.00 60.65 61.67 3hac s ILE 107 Cb -0.13 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.33 3hac s ILE 107 CO -0.13 0.52 1.33 -0.94 0.00 0.00 0.00 174.94 175.72 3hac s SER 108 N -0.87 6.21 0.41 3.58 1.04 0.03 -4.92 113.70 119.18 3hac s SER 108 Ca 0.30 2.71 0.19 0.00 0.48 0.00 0.00 55.95 59.63 3hac s SER 108 Cb -0.19 -2.64 1.13 0.00 0.10 0.00 0.00 66.02 64.42 3hac s SER 108 CO 0.19 -0.93 1.77 -0.65 0.98 0.00 0.00 173.24 174.61 3hac h PRO 109 N 2.59 0.36 -0.01 4.02 0.11 -1.80 0.28 132.00 137.54 3hac h PRO 109 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hac h PRO 109 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hac h PRO 109 CO 0.62 0.24 0.00 -0.40 -0.21 0.00 0.00 178.00 178.25 3hac n ASP 110 N -4.60 0.28 -0.48 -2.05 3.85 -1.08 -4.84 116.55 107.62 3hac n ASP 110 Ca 0.25 -1.23 -0.06 0.00 -0.71 0.00 0.00 54.79 53.04 3hac n ASP 110 Cb 0.90 -0.01 -0.03 0.00 -1.35 0.00 0.00 41.12 40.63 3hac n ASP 110 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hac n GLY 111 N 0.96 0.77 0.12 6.12 0.00 1.00 -4.90 105.19 109.27 3hac n GLY 111 Ca 0.20 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 46.04 3hac n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hac h GLN 112 N 0.20 0.00 -4.10 1.61 4.20 -1.91 -3.46 115.11 111.64 3hac h GLN 112 Ca -0.13 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.41 3hac h GLN 112 Cb 0.71 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.30 3hac h GLN 112 CO 0.19 0.27 -0.70 -0.06 -0.67 0.00 0.00 178.83 177.86 3hac s PHE 113 N -3.05 0.37 -0.08 2.96 0.08 -1.26 -1.72 117.98 115.28 3hac s PHE 113 Ca 0.01 -0.66 0.03 0.00 0.12 0.00 0.00 56.93 56.43 3hac s PHE 113 Cb 0.08 -0.26 0.00 0.00 -0.57 0.00 0.00 43.02 42.27 3hac s PHE 113 CO 0.77 -0.23 -0.18 -1.50 -0.10 0.00 0.00 175.22 173.98 3hac s ILE 114 N -2.08 1.60 -0.18 0.64 2.07 -0.06 -0.79 121.20 122.40 3hac s ILE 114 Ca -0.09 -0.76 -0.20 0.00 -1.41 0.00 0.00 60.65 58.19 3hac s ILE 114 Cb -0.05 -1.40 -0.03 0.00 0.13 0.00 0.00 42.46 41.10 3hac s ILE 114 CO -0.03 0.46 0.57 -0.22 -1.91 0.00 0.00 174.94 173.81 3hac s LEU 115 N 0.41 4.17 -0.23 8.50 2.96 0.17 -0.48 118.68 134.17 3hac s LEU 115 Ca -0.14 0.79 -0.05 0.00 -0.22 0.00 0.00 54.13 54.51 3hac s LEU 115 Cb -0.16 -2.81 -0.02 0.00 0.50 0.00 0.00 46.19 43.71 3hac s LEU 115 CO 0.06 -0.19 0.00 -0.76 -1.32 0.00 0.00 176.35 174.14 3hac s LEU 116 N 1.56 3.13 -0.20 -0.68 1.43 0.46 -0.66 118.68 123.73 3hac s LEU 116 Ca 0.27 -0.30 -0.10 0.00 -1.03 0.00 0.00 54.13 52.97 3hac s LEU 116 Cb -0.16 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 3hac s LEU 116 CO 0.11 -0.02 0.13 -0.70 0.23 0.00 0.00 176.35 176.10 3hac s GLU 117 N 1.48 4.16 0.33 1.70 2.12 -0.07 -2.02 118.70 126.40 3hac s GLU 117 Ca 0.06 -0.23 -0.05 0.00 0.36 0.00 0.00 54.97 55.11 3hac s GLU 117 Cb -0.15 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 30.82 3hac s GLU 117 CO -0.00 0.27 0.48 1.52 -0.54 0.00 0.00 175.26 176.99 3hac s TYR 118 N 0.46 0.90 -1.46 5.30 1.13 -0.52 0.24 117.35 123.40 3hac s TYR 118 Ca 0.08 -1.18 -0.10 0.00 -1.41 0.00 0.00 57.07 54.45 3hac s TYR 118 Cb -0.11 -0.00 0.05 0.00 -1.10 0.00 0.00 41.96 40.79 3hac s TYR 118 CO -0.01 -1.12 0.92 0.09 -2.51 0.00 0.00 175.55 172.91 3hac n ASN 119 N -1.22 -5.39 -4.68 -0.18 3.02 -1.26 0.23 115.26 105.78 3hac n ASN 119 Ca -0.00 -0.58 -0.42 0.00 -0.03 0.00 0.00 54.58 53.55 3hac n ASN 119 Cb 0.62 -4.30 -0.03 0.00 -0.61 0.00 0.00 39.78 35.45 3hac n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3hac s TYR 120 N -3.24 1.89 -0.19 3.10 5.04 -1.26 -4.19 117.35 118.50 3hac s TYR 120 Ca 0.55 -0.11 -0.00 0.00 -2.44 0.00 0.00 57.07 55.07 3hac s TYR 120 Cb -0.26 -4.16 0.05 0.00 0.35 0.00 0.00 41.96 37.94 3hac s TYR 120 CO 0.68 -4.91 -0.04 0.08 -1.34 0.00 0.00 175.55 170.02 3hac s VAL 121 N 3.37 1.17 0.38 3.14 1.01 0.50 -5.00 120.40 124.96 3hac s VAL 121 Ca 0.82 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 61.70 3hac s VAL 121 Cb -0.43 -1.43 -0.11 0.00 0.00 0.00 0.00 36.38 34.42 3hac s VAL 121 CO 0.37 0.00 1.45 -0.75 0.00 0.00 0.00 175.10 176.17 3hac s LYS 122 N 1.58 4.10 0.00 2.72 2.20 -1.26 -0.97 119.74 128.11 3hac s LYS 122 Ca -0.02 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.09 3hac s LYS 122 Cb -0.17 -2.95 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 3hac s LYS 122 CO -0.07 -0.51 0.00 0.94 -0.36 0.00 0.00 175.35 175.35 3hac n GLN 123 N 0.43 0.00 0.00 4.03 7.27 0.00 -4.86 117.38 124.25 3hac n GLN 123 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 3hac n GLN 123 Cb 0.40 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.05 3hac n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 3hac n TRP 124 N 0.00 0.00 -0.14 3.69 5.03 -1.17 -4.92 117.44 119.93 3hac n TRP 124 Ca 0.00 0.00 -0.07 0.00 3.03 0.00 0.00 57.50 60.46 3hac n TRP 124 Cb 0.00 0.00 0.08 0.00 -1.03 0.00 0.00 31.31 30.36 3hac n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 3hac h ARG 125 N 0.00 0.90 0.00 -0.99 2.43 -1.98 -3.36 114.38 111.38 3hac h ARG 125 Ca 0.00 -0.30 -0.10 0.00 -0.81 0.00 0.00 59.98 58.77 3hac h ARG 125 Cb 0.00 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3hac h ARG 125 CO 0.00 0.94 -1.36 0.72 -1.51 0.00 0.00 179.97 178.76 3hac n HIS 126 N -4.16 0.00 -2.51 2.20 8.25 -1.26 -5.06 115.22 112.67 3hac n HIS 126 Ca 0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.13 3hac n HIS 126 Cb 0.37 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 3hac n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3hac s SER 127 N -3.92 6.36 0.17 0.41 1.04 -1.26 -4.69 113.70 111.82 3hac s SER 127 Ca -0.04 1.98 -0.24 0.00 0.48 0.00 0.00 55.95 58.13 3hac s SER 127 Cb 0.02 -2.57 0.06 0.00 0.10 0.00 0.00 66.02 63.63 3hac s SER 127 CO 0.20 -0.77 0.74 -0.72 0.98 0.00 0.00 173.24 173.67 3hac s TYR 128 N -1.89 -0.33 0.28 5.02 -0.85 -1.26 -0.82 117.35 117.49 3hac s TYR 128 Ca 0.66 0.04 0.11 0.00 -0.52 0.00 0.00 57.07 57.35 3hac s TYR 128 Cb -0.18 0.62 -0.05 0.00 0.38 0.00 0.00 41.96 42.73 3hac s TYR 128 CO 0.22 -0.92 -0.09 0.95 -1.52 0.00 0.00 175.55 174.18 3hac s THR 129 N -3.63 2.94 0.25 -3.49 -4.23 -0.14 -4.67 115.64 102.66 3hac s THR 129 Ca 0.07 -2.15 -0.22 0.00 -1.18 0.00 0.00 61.69 58.21 3hac s THR 129 Cb -0.03 -2.59 0.03 0.00 1.34 0.00 0.00 72.50 71.25 3hac s THR 129 CO -0.03 -0.37 0.71 0.00 -0.54 0.00 0.00 174.62 174.39 3hac s ALA 130 N -2.43 -1.32 0.18 3.99 0.00 -0.95 -0.37 121.76 120.86 3hac s ALA 130 Ca 0.31 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.18 3hac s ALA 130 Cb -0.05 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 3hac s ALA 130 CO 0.18 -0.99 0.31 -1.12 0.00 0.00 0.00 175.76 174.14 3hac s SER 131 N -2.88 6.33 -0.03 0.00 0.01 0.13 -2.30 113.70 114.96 3hac s SER 131 Ca 0.09 0.14 -0.01 0.00 1.31 0.00 0.00 55.95 57.48 3hac s SER 131 Cb -0.05 -1.89 0.02 0.00 0.21 0.00 0.00 66.02 64.31 3hac s SER 131 CO 0.03 0.01 0.07 -0.31 0.41 0.00 0.00 173.24 173.45 3hac s TYR 132 N -1.82 -0.05 0.20 2.43 1.51 -1.26 -1.44 117.35 116.93 3hac s TYR 132 Ca 0.34 0.24 0.11 0.00 -1.01 0.00 0.00 57.07 56.75 3hac s TYR 132 Cb -0.10 -0.11 -0.04 0.00 -0.11 0.00 0.00 41.96 41.59 3hac s TYR 132 CO 0.29 -0.09 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.95 3hac s ASP 133 N 0.78 3.79 -0.11 2.29 1.11 -0.86 -4.37 116.67 119.30 3hac s ASP 133 Ca -0.06 -0.78 0.02 0.00 0.18 0.00 0.00 52.55 51.91 3hac s ASP 133 Cb -0.09 -0.45 -0.01 0.00 1.07 0.00 0.00 42.92 43.44 3hac s ASP 133 CO -0.03 0.10 -0.17 -0.63 1.18 0.00 0.00 175.17 175.62 3hac s ILE 134 N -1.83 2.68 -0.18 0.77 1.01 -1.26 -0.40 121.20 121.98 3hac s ILE 134 Ca 0.24 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 3hac s ILE 134 Cb -0.08 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 3hac s ILE 134 CO 0.13 0.54 -0.03 -0.47 0.00 0.00 0.00 174.94 175.11 3hac s TYR 135 N 0.25 2.99 -0.53 3.97 5.04 0.36 -0.57 117.35 128.87 3hac s TYR 135 Ca -0.12 -0.53 -0.28 0.00 -2.44 0.00 0.00 57.07 53.70 3hac s TYR 135 Cb -0.16 -2.02 0.03 0.00 0.35 0.00 0.00 41.96 40.15 3hac s TYR 135 CO 0.06 -0.24 1.15 0.34 -1.34 0.00 0.00 175.55 175.52 3hac s ASP 136 N 0.84 6.52 0.29 4.32 -1.08 0.15 -0.88 116.67 126.82 3hac s ASP 136 Ca -0.01 0.23 0.05 0.00 -0.52 0.00 0.00 52.55 52.30 3hac s ASP 136 Cb -0.15 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.22 3hac s ASP 136 CO 0.02 -1.36 1.72 -0.07 0.52 0.00 0.00 175.17 175.99 3hac h LEU 137 N 11.55 0.36 -0.01 -1.34 3.38 -1.62 0.77 115.31 128.41 3hac h LEU 137 Ca -0.24 -0.13 -0.26 0.00 0.09 0.00 0.00 57.88 57.34 3hac h LEU 137 Cb 1.06 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.72 3hac h LEU 137 CO 1.15 0.68 -1.11 0.78 0.09 0.00 0.00 178.44 180.03 3hac h ASN 138 N 0.31 0.55 0.36 -0.43 2.35 -1.91 -3.21 115.58 113.60 3hac h ASN 138 Ca 0.04 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3hac h ASN 138 Cb 0.73 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3hac h ASN 138 CO 0.06 1.34 -0.26 0.29 -1.65 0.00 0.00 177.43 177.20 3hac n LYS 139 N -3.67 0.58 -4.03 0.81 5.02 -1.18 -4.96 118.16 110.73 3hac n LYS 139 Ca -0.09 -0.30 -0.33 0.00 -2.02 0.00 0.00 58.31 55.57 3hac n LYS 139 Cb 0.93 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.43 3hac n LYS 139 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hac n ARG 140 N -0.95 -1.54 -3.86 1.97 1.74 0.22 -4.97 116.66 109.27 3hac n ARG 140 Ca 0.11 0.25 -0.12 0.00 -0.77 0.00 0.00 57.85 57.32 3hac n ARG 140 Cb 0.33 -3.71 -0.12 0.00 -1.02 0.00 0.00 32.46 27.94 3hac n ARG 140 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3hac s GLN 141 N -6.88 0.17 0.27 5.56 -0.21 -0.92 -5.00 119.66 112.65 3hac s GLN 141 Ca 0.21 -0.04 -0.29 0.00 0.02 0.00 0.00 55.36 55.26 3hac s GLN 141 Cb -0.10 0.08 -0.09 0.00 1.00 0.00 0.00 33.01 33.89 3hac s GLN 141 CO 0.93 -0.03 1.00 -1.17 -2.12 0.00 0.00 175.29 173.91 3hac s LEU 142 N -0.32 4.56 -0.12 2.90 2.96 -1.26 0.29 118.68 127.68 3hac s LEU 142 Ca -0.04 2.06 -0.22 0.00 -0.22 0.00 0.00 54.13 55.71 3hac s LEU 142 Cb -0.03 -3.68 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 3hac s LEU 142 CO 0.00 -0.00 0.66 -0.63 -1.32 0.00 0.00 176.35 175.06 3hac s ILE 143 N -1.24 5.04 -0.75 6.68 1.01 0.27 -4.89 121.20 127.32 3hac s ILE 143 Ca 0.44 1.32 0.10 0.00 0.00 0.00 0.00 60.65 62.51 3hac s ILE 143 Cb -0.27 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 3hac s ILE 143 CO 0.34 0.19 0.55 0.35 0.00 0.00 0.00 174.94 176.37 3hac n THR 144 N 4.15 0.00 -4.06 2.92 -2.24 -1.26 -4.62 114.28 109.16 3hac n THR 144 Ca -0.01 -0.35 -0.31 0.00 -2.27 0.00 0.00 64.05 61.11 3hac n THR 144 Cb 0.51 1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 69.74 3hac n THR 144 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hac s GLU 145 N -1.57 2.89 -1.39 -0.78 8.01 -1.26 -4.65 118.70 119.96 3hac s GLU 145 Ca 0.07 -0.67 -0.02 0.00 0.01 0.00 0.00 54.97 54.36 3hac s GLU 145 Cb 0.08 -2.74 0.01 0.00 -4.31 0.00 0.00 34.13 27.17 3hac s GLU 145 CO 0.31 0.58 0.57 0.39 0.01 0.00 0.00 175.26 177.12 3hac n GLU 146 N 0.57 -4.05 -2.23 1.61 -0.58 -1.26 -4.69 120.64 110.00 3hac n GLU 146 Ca -0.09 0.50 -0.36 0.00 -0.42 0.00 0.00 57.16 56.78 3hac n GLU 146 Cb 0.52 -4.86 -0.00 0.00 -0.57 0.00 0.00 31.44 26.52 3hac n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3hac s ARG 147 N -6.35 3.59 0.14 3.49 0.52 -1.26 -4.78 118.95 114.30 3hac s ARG 147 Ca 0.07 1.74 -0.34 0.00 -0.52 0.00 0.00 55.73 56.68 3hac s ARG 147 Cb -0.04 -2.27 -0.14 0.00 0.52 0.00 0.00 34.95 33.02 3hac s ARG 147 CO 0.86 -0.68 1.55 -0.89 0.02 0.00 0.00 175.30 176.16 3hac n ILE 148 N -0.78 0.02 -0.97 1.52 5.41 -1.26 -4.94 119.36 118.36 3hac n ILE 148 Ca 0.09 -0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.53 3hac n ILE 148 Cb 0.49 -1.44 0.13 0.00 -0.71 0.00 0.00 39.64 38.11 3hac n ILE 148 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3hac s PRO 149 N 0.95 1.61 0.70 0.38 0.04 -1.26 -4.59 135.00 132.83 3hac s PRO 149 Ca 0.80 1.37 -0.13 0.00 0.04 0.00 0.00 61.00 63.08 3hac s PRO 149 Cb -0.72 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.03 3hac s PRO 149 CO 0.40 -2.16 1.10 -0.80 0.04 0.00 0.00 177.00 175.58 3hac s ASN 150 N -3.02 4.91 -1.16 6.66 0.01 -1.26 -3.69 114.94 117.39 3hac s ASN 150 Ca 0.64 1.90 0.00 0.00 -0.71 0.00 0.00 52.86 54.69 3hac s ASN 150 Cb -0.20 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.92 3hac s ASN 150 CO 0.57 -1.77 0.00 0.59 -1.51 0.00 0.00 177.10 174.98 3hac n ASN 151 N -2.88 -4.17 -4.75 -1.22 3.02 -1.21 -4.99 115.26 99.07 3hac n ASN 151 Ca 0.10 0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.25 3hac n ASN 151 Cb 0.52 -3.32 -0.04 0.00 -0.61 0.00 0.00 39.78 36.34 3hac n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hac s THR 152 N -2.65 3.47 -0.08 3.41 2.01 -0.97 -4.60 115.64 116.22 3hac s THR 152 Ca 0.00 1.34 0.13 0.00 0.31 0.00 0.00 61.69 63.47 3hac s THR 152 Cb 0.00 -3.85 -0.24 0.00 0.01 0.00 0.00 72.50 68.42 3hac s THR 152 CO 0.00 0.26 0.51 0.00 -0.69 0.00 0.00 174.62 174.71 3hac n GLN 153 N 1.87 0.65 -3.58 4.92 6.02 0.39 -2.25 117.38 125.40 3hac n GLN 153 Ca 0.02 0.23 -0.15 0.00 -0.01 0.00 0.00 57.00 57.09 3hac n GLN 153 Cb 0.44 -1.73 -0.06 0.00 1.02 0.00 0.00 30.24 29.91 3hac n GLN 153 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 3hac s TRP 154 N -2.57 -0.65 -0.06 1.08 -0.11 -1.21 -4.64 118.94 110.78 3hac s TRP 154 Ca -0.07 1.37 -0.05 0.00 1.22 0.00 0.00 56.10 58.57 3hac s TRP 154 Cb 0.07 0.36 0.02 0.00 -1.50 0.00 0.00 33.47 32.42 3hac s TRP 154 CO 0.82 -0.45 0.16 0.54 -4.62 0.00 0.00 176.95 173.40 3hac s VAL 155 N -0.42 -0.00 -0.10 5.86 0.11 -1.26 -0.85 120.40 123.73 3hac s VAL 155 Ca -0.04 0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 58.95 3hac s VAL 155 Cb -0.03 -0.23 0.04 0.00 -1.53 0.00 0.00 36.38 34.64 3hac s VAL 155 CO 0.04 0.00 0.24 0.28 -3.33 0.00 0.00 175.10 172.33 3hac s THR 156 N 0.12 -0.02 0.70 5.04 -1.32 -0.28 -5.01 115.64 114.86 3hac s THR 156 Ca -0.00 0.09 -0.16 0.00 -1.21 0.00 0.00 61.69 60.40 3hac s THR 156 Cb -0.01 -0.36 0.02 0.00 -1.51 0.00 0.00 72.50 70.63 3hac s THR 156 CO -0.00 0.04 1.25 0.26 -2.21 0.00 0.00 174.62 173.96 3hac s TRP 157 N 0.81 2.03 0.88 9.09 0.52 -1.26 -1.21 118.94 129.80 3hac s TRP 157 Ca -0.06 1.55 -0.10 0.00 0.02 0.00 0.00 56.10 57.52 3hac s TRP 157 Cb -0.07 -3.58 0.12 0.00 -1.15 0.00 0.00 33.47 28.79 3hac s TRP 157 CO -0.05 -2.79 1.13 -1.54 0.02 0.00 0.00 176.95 173.72 3hac s SER 158 N -1.72 3.30 0.49 2.95 1.04 0.62 -4.86 113.70 115.51 3hac s SER 158 Ca 0.78 2.11 0.30 0.00 0.48 0.00 0.00 55.95 59.63 3hac s SER 158 Cb -0.33 -2.56 1.13 0.00 0.10 0.00 0.00 66.02 64.36 3hac s SER 158 CO 0.43 -2.85 1.88 -0.65 0.98 0.00 0.00 173.24 173.03 3hac h PRO 159 N -1.69 0.00 -4.90 4.02 0.11 -1.83 -3.42 132.00 124.30 3hac h PRO 159 Ca -0.43 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.30 3hac h PRO 159 Cb 1.26 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.12 3hac h PRO 159 CO 0.44 0.00 -0.77 0.08 -0.21 0.00 0.00 178.00 177.54 3hac s VAL 160 N -3.53 0.81 0.00 3.15 1.01 -1.26 -4.80 120.40 115.78 3hac s VAL 160 Ca 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3hac s VAL 160 Cb 0.08 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.71 3hac s VAL 160 CO 0.55 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3hac n GLY 161 N 2.06 0.36 1.42 4.51 0.00 -1.26 -4.52 105.19 107.75 3hac n GLY 161 Ca -0.18 -0.82 -0.03 0.00 0.00 0.00 0.00 46.02 45.00 3hac n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3hac n HIS 162 N 12.04 -0.14 -2.15 1.61 1.44 -1.26 -2.62 115.22 124.13 3hac n HIS 162 Ca 0.00 -0.71 -0.34 0.00 -2.01 0.00 0.00 57.72 54.66 3hac n HIS 162 Cb 0.00 0.37 0.01 0.00 0.12 0.00 0.00 29.99 30.48 3hac n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3hac s LYS 163 N -0.20 3.33 0.03 -1.40 1.02 -1.26 -4.56 119.74 116.70 3hac s LYS 163 Ca 0.13 1.38 0.07 0.00 0.02 0.00 0.00 55.97 57.56 3hac s LYS 163 Cb 0.18 -2.02 -0.02 0.00 -0.52 0.00 0.00 37.83 35.45 3hac s LYS 163 CO -0.07 -0.82 -0.20 -0.51 -0.92 0.00 0.00 175.35 172.83 3hac s LEU 164 N -4.17 2.13 -0.04 3.17 1.43 0.08 -0.27 118.68 121.00 3hac s LEU 164 Ca 0.67 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 53.38 3hac s LEU 164 Cb -0.19 -0.96 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 3hac s LEU 164 CO 0.32 0.18 -0.25 0.00 0.23 0.00 0.00 176.35 176.82 3hac s ALA 165 N -0.70 2.09 0.06 4.21 0.00 -0.35 -0.37 121.76 126.70 3hac s ALA 165 Ca 0.07 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 3hac s ALA 165 Cb -0.08 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 3hac s ALA 165 CO 0.01 0.46 0.08 1.52 0.00 0.00 0.00 175.76 177.83 3hac s TYR 166 N -0.39 0.30 -0.13 0.00 1.13 0.19 -1.12 117.35 117.32 3hac s TYR 166 Ca 0.04 -0.73 0.00 0.00 -1.41 0.00 0.00 57.07 54.97 3hac s TYR 166 Cb -0.11 -0.21 -0.01 0.00 -1.10 0.00 0.00 41.96 40.53 3hac s TYR 166 CO 0.01 -0.43 -0.14 0.08 -2.51 0.00 0.00 175.55 172.56 3hac s VAL 167 N -3.47 2.92 -0.08 -3.49 1.01 -0.03 -0.38 120.40 116.87 3hac s VAL 167 Ca 0.02 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 3hac s VAL 167 Cb 0.04 -2.22 0.04 0.00 0.00 0.00 0.00 36.38 34.24 3hac s VAL 167 CO -0.09 0.52 0.19 0.86 0.00 0.00 0.00 175.10 176.59 3hac s TRP 168 N 0.47 -0.24 -1.63 5.22 -0.00 -0.52 -0.46 118.94 121.78 3hac s TRP 168 Ca -0.10 0.61 -0.16 0.00 -0.00 0.00 0.00 56.10 56.45 3hac s TRP 168 Cb -0.16 -0.02 0.13 0.00 -0.00 0.00 0.00 33.47 33.42 3hac s TRP 168 CO 0.05 -0.19 0.85 0.09 -0.00 0.00 0.00 176.95 177.75 3hac n ASN 169 N 4.13 -3.78 -0.03 5.86 5.03 -1.26 -2.29 115.26 122.92 3hac n ASN 169 Ca -0.25 -0.92 -0.00 0.00 0.87 0.00 0.00 54.58 54.27 3hac n ASN 169 Cb 0.53 -3.20 -0.00 0.00 -1.02 0.00 0.00 39.78 36.08 3hac n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3hac n ASN 170 N -2.74 -4.27 -4.53 6.41 4.13 -1.26 -4.41 115.26 108.60 3hac n ASN 170 Ca 0.05 0.01 -0.26 0.00 1.68 0.00 0.00 54.58 56.06 3hac n ASN 170 Cb 0.51 -1.80 -0.10 0.00 -1.54 0.00 0.00 39.78 36.85 3hac n ASN 170 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3hac s ASP 171 N -2.04 3.98 -0.08 6.41 -0.00 -0.97 -1.95 116.67 122.02 3hac s ASP 171 Ca 0.00 -0.72 -0.12 0.00 -0.00 0.00 0.00 52.55 51.71 3hac s ASP 171 Cb 0.00 -0.55 -0.05 0.00 -0.00 0.00 0.00 42.92 42.32 3hac s ASP 171 CO 0.00 0.09 0.29 -0.63 -0.00 0.00 0.00 175.17 174.92 3hac s ILE 172 N -1.85 5.26 0.08 0.77 1.01 -1.26 -1.44 121.20 123.76 3hac s ILE 172 Ca 0.25 0.56 0.06 0.00 0.00 0.00 0.00 60.65 61.52 3hac s ILE 172 Cb -0.08 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 3hac s ILE 172 CO 0.14 0.53 -0.16 -0.31 0.00 0.00 0.00 174.94 175.15 3hac s TYR 173 N -0.60 1.34 -0.05 3.97 1.51 0.48 -0.25 117.35 123.75 3hac s TYR 173 Ca 0.19 -0.44 0.03 0.00 -1.01 0.00 0.00 57.07 55.84 3hac s TYR 173 Cb -0.14 -0.75 0.00 0.00 -0.11 0.00 0.00 41.96 40.96 3hac s TYR 173 CO 0.08 0.09 -0.15 0.08 -1.11 0.00 0.00 175.55 174.54 3hac s VAL 174 N -1.22 1.29 -0.18 0.71 1.01 -0.17 -0.64 120.40 121.20 3hac s VAL 174 Ca -0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 3hac s VAL 174 Cb -0.10 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 3hac s VAL 174 CO 0.03 0.38 -0.10 -0.54 0.00 0.00 0.00 175.10 174.87 3hac s LYS 175 N 0.33 3.34 0.09 2.72 1.02 0.50 -0.58 119.74 127.16 3hac s LYS 175 Ca -0.09 -0.67 -0.11 0.00 0.02 0.00 0.00 55.97 55.12 3hac s LYS 175 Cb -0.13 -2.81 -0.20 0.00 -0.52 0.00 0.00 37.83 34.17 3hac s LYS 175 CO 0.03 -0.04 1.21 0.82 -0.92 0.00 0.00 175.35 176.45 3hac h ILE 176 N 5.61 1.33 -4.29 2.17 1.08 -1.84 0.25 117.51 121.82 3hac h ILE 176 Ca -0.36 -2.38 -0.53 0.00 -0.39 0.00 0.00 64.86 61.20 3hac h ILE 176 Cb 1.18 2.47 -0.29 0.00 -3.07 0.00 0.00 36.82 37.11 3hac h ILE 176 CO 0.59 0.72 -0.83 -1.61 -0.69 0.00 0.00 178.15 176.34 3hac s GLU 177 N -3.21 1.36 0.56 2.37 0.41 -1.26 -4.18 118.70 114.73 3hac s GLU 177 Ca -0.08 -0.61 0.26 0.00 -0.41 0.00 0.00 54.97 54.13 3hac s GLU 177 Cb 0.07 -1.31 1.49 0.00 -1.78 0.00 0.00 34.13 32.59 3hac s GLU 177 CO 0.91 0.36 2.05 -1.35 -0.49 0.00 0.00 175.26 176.73 3hac h PRO 178 N 5.70 0.00 -0.07 0.39 0.11 -1.86 -1.79 132.00 134.47 3hac h PRO 178 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3hac h PRO 178 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hac h PRO 178 CO 0.48 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.54 3hac n ASN 179 N -4.12 2.90 -4.83 -2.05 6.94 -1.26 -4.85 115.26 107.98 3hac n ASN 179 Ca 0.05 -1.95 -0.22 0.00 -0.02 0.00 0.00 54.58 52.44 3hac n ASN 179 Cb 0.44 -0.03 -0.04 0.00 -2.36 0.00 0.00 39.78 37.78 3hac n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3hac s LEU 180 N -1.93 3.83 0.57 -4.53 1.43 -0.68 -4.55 118.68 112.82 3hac s LEU 180 Ca 0.30 -0.24 -0.21 0.00 -1.03 0.00 0.00 54.13 52.95 3hac s LEU 180 Cb 0.20 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 3hac s LEU 180 CO 0.30 -0.04 1.30 -2.65 0.23 0.00 0.00 176.35 175.49 3hac n PRO 181 N -1.19 1.50 -2.33 1.29 -0.02 -1.26 -4.84 135.00 128.15 3hac n PRO 181 Ca -0.08 0.56 -0.33 0.00 -2.02 0.00 0.00 63.50 61.63 3hac n PRO 181 Cb 0.58 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 3hac n PRO 181 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3hac s SER 182 N -1.03 6.15 -0.24 2.55 0.01 -1.26 -4.70 113.70 115.17 3hac s SER 182 Ca 0.74 1.85 -0.09 0.00 1.31 0.00 0.00 55.95 59.75 3hac s SER 182 Cb -0.41 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.23 3hac s SER 182 CO 0.47 -0.91 0.13 -0.31 0.41 0.00 0.00 173.24 173.03 3hac s TYR 183 N -2.23 3.21 0.11 2.43 2.02 0.26 -4.93 117.35 118.22 3hac s TYR 183 Ca 0.65 -0.00 -0.30 0.00 -0.37 0.00 0.00 57.07 57.04 3hac s TYR 183 Cb -0.16 -2.26 -0.06 0.00 -0.40 0.00 0.00 41.96 39.08 3hac s TYR 183 CO 0.28 -0.10 1.15 0.50 -1.57 0.00 0.00 175.55 175.81 3hac s ARG 184 N 1.30 4.50 -0.18 -0.62 3.52 -1.26 -1.00 118.95 125.20 3hac s ARG 184 Ca 0.06 1.74 0.08 0.00 -0.13 0.00 0.00 55.73 57.48 3hac s ARG 184 Cb -0.14 -3.32 -0.17 0.00 -1.56 0.00 0.00 34.95 29.76 3hac s ARG 184 CO 0.06 -0.12 -0.06 -0.89 -0.81 0.00 0.00 175.30 173.47 3hac n ILE 185 N 3.28 1.14 -4.21 4.11 2.08 0.66 -4.91 119.36 121.49 3hac n ILE 185 Ca 0.06 -0.56 -0.20 0.00 0.56 0.00 0.00 62.75 62.61 3hac n ILE 185 Cb 0.46 -0.90 -0.12 0.00 -0.75 0.00 0.00 39.64 38.33 3hac n ILE 185 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3hac s THR 186 N -2.40 1.32 0.00 1.39 -4.23 -1.21 -4.91 115.64 105.60 3hac s THR 186 Ca -0.18 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 3hac s THR 186 Cb 0.06 -1.27 0.00 0.00 1.34 0.00 0.00 72.50 72.63 3hac s THR 186 CO 0.56 -0.20 0.55 0.79 -0.54 0.00 0.00 174.62 175.78 3hac n TRP 187 N 1.13 0.00 1.03 3.99 8.01 -1.26 -4.51 117.44 125.83 3hac n TRP 187 Ca -0.20 -0.12 0.11 0.00 -1.31 0.00 0.00 57.50 55.98 3hac n TRP 187 Cb 0.54 -0.01 0.03 0.00 -2.01 0.00 0.00 31.31 29.86 3hac n TRP 187 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 3hac n THR 188 N -0.12 0.00 -1.57 -0.99 -2.24 -1.26 -4.98 114.28 103.12 3hac n THR 188 Ca 0.00 -0.10 -0.49 0.00 -2.27 0.00 0.00 64.05 61.18 3hac n THR 188 Cb 0.12 0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 69.21 3hac n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hac n GLY 189 N 1.45 0.02 3.43 3.38 0.00 -1.26 -4.64 105.19 107.57 3hac n GLY 189 Ca 0.07 0.55 -0.06 0.00 0.00 0.00 0.00 46.02 46.58 3hac n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hac s LYS 190 N -0.33 0.44 0.03 1.61 2.20 -0.79 -4.90 119.74 118.01 3hac s LYS 190 Ca 0.74 1.19 -0.38 0.00 -0.36 0.00 0.00 55.97 57.17 3hac s LYS 190 Cb -0.88 0.51 -0.17 0.00 -1.51 0.00 0.00 37.83 35.79 3hac s LYS 190 CO 0.52 -0.22 1.36 -1.91 -0.36 0.00 0.00 175.35 174.74 3hac n GLU 191 N 5.30 1.03 -0.90 4.03 2.13 -1.26 -0.71 120.64 130.25 3hac n GLU 191 Ca -0.11 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.08 3hac n GLU 191 Cb 0.50 -2.01 0.00 0.00 0.27 0.00 0.00 31.44 30.21 3hac n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3hac n ASP 192 N 2.75 -4.10 0.05 4.31 8.00 -1.26 -4.72 116.55 121.58 3hac n ASP 192 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.70 3hac n ASP 192 Cb 0.17 -2.68 0.00 0.00 -0.02 0.00 0.00 41.12 38.59 3hac n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3hac n ILE 193 N -2.15 0.36 -4.14 0.53 2.08 0.11 -4.73 119.36 111.42 3hac n ILE 193 Ca 0.00 0.12 -0.34 0.00 0.56 0.00 0.00 62.75 63.09 3hac n ILE 193 Cb 0.30 -0.83 -0.14 0.00 -0.75 0.00 0.00 39.64 38.22 3hac n ILE 193 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3hac s ILE 194 N -1.54 3.07 -0.27 1.39 -1.09 0.01 -0.15 121.20 122.61 3hac s ILE 194 Ca 0.00 -0.61 -0.02 0.00 -2.23 0.00 0.00 60.65 57.79 3hac s ILE 194 Cb 0.00 -2.36 0.04 0.00 -1.58 0.00 0.00 42.46 38.56 3hac s ILE 194 CO 0.00 0.47 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.84 3hac s TYR 195 N 1.18 3.16 -0.27 3.97 1.51 0.08 -1.88 117.35 125.10 3hac s TYR 195 Ca 0.02 -1.66 -0.09 0.00 -1.01 0.00 0.00 57.07 54.33 3hac s TYR 195 Cb -0.14 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 3hac s TYR 195 CO -0.03 -0.75 0.12 -0.80 -1.11 0.00 0.00 175.55 172.98 3hac s ASN 196 N 1.30 5.46 0.00 2.29 0.01 -0.82 -0.63 114.94 122.56 3hac s ASN 196 Ca -0.02 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 51.88 3hac s ASN 196 Cb -0.18 -1.99 0.00 0.00 0.41 0.00 0.00 41.25 39.49 3hac s ASN 196 CO -0.02 -0.08 0.00 0.61 -1.51 0.00 0.00 177.10 176.09 3hac n GLY 197 N 4.97 1.05 3.18 0.66 0.00 -0.27 -4.37 105.19 110.41 3hac n GLY 197 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 3hac n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hac s ILE 198 N -3.96 0.97 0.47 -0.61 -4.36 -1.26 -0.22 121.20 112.23 3hac s ILE 198 Ca 0.00 -1.65 -0.10 0.00 -0.26 0.00 0.00 60.65 58.64 3hac s ILE 198 Cb 0.00 -1.37 -0.06 0.00 1.25 0.00 0.00 42.46 42.28 3hac s ILE 198 CO 0.00 -0.55 0.84 0.42 0.24 0.00 0.00 174.94 175.89 3hac s THR 199 N -2.42 4.76 0.55 8.37 -4.23 0.18 -4.69 115.64 118.16 3hac s THR 199 Ca 0.06 0.65 -0.06 0.00 -1.18 0.00 0.00 61.69 61.16 3hac s THR 199 Cb -0.03 -3.78 0.12 0.00 1.34 0.00 0.00 72.50 70.15 3hac s THR 199 CO 0.00 -0.71 0.75 -0.90 -0.54 0.00 0.00 174.62 173.22 3hac n ASP 200 N -1.76 0.38 -0.02 3.99 5.75 -1.26 -4.78 116.55 118.85 3hac n ASP 200 Ca 0.03 -1.47 -0.09 0.00 -0.01 0.00 0.00 54.79 53.26 3hac n ASP 200 Cb 0.54 -0.54 -0.02 0.00 -1.03 0.00 0.00 41.12 40.06 3hac n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3hac h TRP 201 N -1.10 -0.42 -0.11 2.11 7.01 -2.00 -0.92 115.95 120.53 3hac h TRP 201 Ca -0.24 0.03 -0.20 0.00 2.11 0.00 0.00 58.89 60.58 3hac h TRP 201 Cb 0.75 0.21 0.00 0.00 -2.10 0.00 0.00 29.16 28.02 3hac h TRP 201 CO 0.00 -0.24 -0.74 -0.24 -2.79 0.00 0.00 178.44 174.43 3hac h VAL 202 N -0.19 1.34 -0.33 2.65 3.04 -1.95 -1.60 116.25 119.21 3hac h VAL 202 Ca 0.11 -2.08 -0.11 0.00 -1.01 0.00 0.00 66.70 63.61 3hac h VAL 202 Cb 0.35 2.06 -0.01 0.00 -2.01 0.00 0.00 31.29 31.67 3hac h VAL 202 CO -0.28 0.64 -0.25 1.88 -1.01 0.00 0.00 177.57 178.55 3hac h TYR 203 N 0.37 0.76 0.21 3.17 -1.99 -1.92 0.18 116.97 117.75 3hac h TYR 203 Ca -0.04 -0.18 -0.01 0.00 2.00 0.00 0.00 58.73 60.51 3hac h TYR 203 Cb 1.34 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 39.89 3hac h TYR 203 CO 0.06 0.86 -0.10 1.49 -0.00 0.00 0.00 178.16 180.47 3hac h GLU 204 N 0.58 -0.27 -0.12 4.88 4.81 -1.00 0.18 114.58 123.64 3hac h GLU 204 Ca 0.08 0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.18 3hac h GLU 204 Cb 0.74 0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.18 3hac h GLU 204 CO 0.06 -0.10 -0.51 1.49 -0.73 0.00 0.00 179.01 179.22 3hac h GLU 205 N -0.38 0.56 0.00 1.92 4.57 -1.19 -1.83 114.58 118.24 3hac h GLU 205 Ca -0.03 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3hac h GLU 205 Cb 0.29 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 3hac h GLU 205 CO 0.05 1.06 -1.32 0.39 -1.18 0.00 0.00 179.01 178.01 3hac n GLU 206 N -4.21 0.88 -0.00 1.92 -0.58 0.62 -4.53 120.64 114.74 3hac n GLU 206 Ca -0.08 -0.08 -0.02 0.00 -0.42 0.00 0.00 57.16 56.56 3hac n GLU 206 Cb 0.60 -1.21 -0.01 0.00 -0.57 0.00 0.00 31.44 30.25 3hac n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3hac n VAL 207 N -1.77 1.00 0.50 2.62 0.31 -0.96 -4.84 118.33 115.19 3hac n VAL 207 Ca -0.01 0.28 0.11 0.00 -0.01 0.00 0.00 64.34 64.71 3hac n VAL 207 Cb 0.26 -1.70 0.05 0.00 -0.91 0.00 0.00 33.84 31.54 3hac n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3hac n PHE 208 N -3.51 0.40 -4.01 3.52 3.72 0.58 -4.97 117.46 113.19 3hac n PHE 208 Ca -0.04 0.12 -0.31 0.00 -0.05 0.00 0.00 57.45 57.16 3hac n PHE 208 Cb 0.14 -0.54 0.01 0.00 -0.94 0.00 0.00 39.48 38.14 3hac n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hac n SER 209 N -2.08 -3.74 -3.56 4.37 7.64 -0.70 -4.93 113.62 110.61 3hac n SER 209 Ca 0.02 -0.88 -0.10 0.00 1.01 0.00 0.00 58.87 58.92 3hac n SER 209 Cb 0.45 -3.45 -0.04 0.00 -1.01 0.00 0.00 64.21 60.16 3hac n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hac s ALA 210 N -3.37 -1.91 0.02 -0.43 0.00 -1.12 -4.96 121.76 109.99 3hac s ALA 210 Ca 0.60 1.45 0.02 0.00 0.00 0.00 0.00 51.96 54.03 3hac s ALA 210 Cb -0.31 -0.41 -0.25 0.00 0.00 0.00 0.00 23.12 22.14 3hac s ALA 210 CO 0.87 -0.41 0.92 -0.92 0.00 0.00 0.00 175.76 176.22 3hac h TYR 211 N 2.42 0.27 -3.43 0.00 3.20 -1.88 -3.38 116.97 114.17 3hac h TYR 211 Ca -0.19 -0.20 -0.52 0.00 3.14 0.00 0.00 58.73 60.96 3hac h TYR 211 Cb 1.18 -0.01 0.04 0.00 1.54 0.00 0.00 36.73 39.48 3hac h TYR 211 CO 0.29 1.23 0.68 -1.54 -1.64 0.00 0.00 178.16 177.17 3hac s SER 212 N -6.76 6.82 -0.37 -2.11 1.04 -1.26 -0.65 113.70 110.40 3hac s SER 212 Ca -0.06 2.51 0.12 0.00 0.48 0.00 0.00 55.95 59.00 3hac s SER 212 Cb 0.08 -2.62 0.44 0.00 0.10 0.00 0.00 66.02 64.02 3hac s SER 212 CO 0.84 -0.58 1.03 0.00 0.98 0.00 0.00 173.24 175.51 3hac n ALA 213 N 2.36 4.16 -2.81 5.32 0.00 0.70 -4.66 120.51 125.58 3hac n ALA 213 Ca 0.06 -3.67 -0.09 0.00 0.00 0.00 0.00 53.44 49.74 3hac n ALA 213 Cb 0.42 -0.75 -0.11 0.00 0.00 0.00 0.00 19.45 19.01 3hac n ALA 213 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3hac s LEU 214 N -3.33 2.22 -0.18 0.00 0.05 -1.24 -1.85 118.68 114.35 3hac s LEU 214 Ca 0.37 -0.58 -0.05 0.00 0.05 0.00 0.00 54.13 53.92 3hac s LEU 214 Cb 0.43 0.18 0.07 0.00 -2.05 0.00 0.00 46.19 44.82 3hac s LEU 214 CO -0.06 -0.37 0.12 0.26 -0.55 0.00 0.00 176.35 175.75 3hac s TRP 215 N -1.98 0.08 0.36 3.48 0.51 0.16 -4.99 118.94 116.55 3hac s TRP 215 Ca -0.11 -0.21 -0.27 0.00 -2.12 0.00 0.00 56.10 53.39 3hac s TRP 215 Cb -0.06 -0.62 -0.09 0.00 -0.81 0.00 0.00 33.47 31.89 3hac s TRP 215 CO -0.03 -0.55 1.19 -1.58 -0.51 0.00 0.00 176.95 175.47 3hac s TRP 216 N 2.18 3.17 0.85 -1.98 0.52 -1.26 -0.90 118.94 121.52 3hac s TRP 216 Ca 0.04 1.55 -0.11 0.00 0.02 0.00 0.00 56.10 57.59 3hac s TRP 216 Cb -0.16 -3.45 0.10 0.00 -1.15 0.00 0.00 33.47 28.81 3hac s TRP 216 CO -0.11 -1.31 1.10 -1.54 0.02 0.00 0.00 176.95 175.10 3hac s SER 217 N -0.90 3.79 0.32 2.95 1.04 0.09 -4.90 113.70 116.09 3hac s SER 217 Ca 0.52 1.73 0.06 0.00 0.48 0.00 0.00 55.95 58.73 3hac s SER 217 Cb -0.33 -2.38 0.71 0.00 0.10 0.00 0.00 66.02 64.11 3hac s SER 217 CO 0.43 -2.47 1.84 -0.65 0.98 0.00 0.00 173.24 173.37 3hac h PRO 218 N -1.43 0.79 -0.51 4.02 0.11 -1.90 -0.86 132.00 132.22 3hac h PRO 218 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hac h PRO 218 Cb 1.26 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hac h PRO 218 CO 0.51 0.52 0.00 0.27 -0.21 0.00 0.00 178.00 179.10 3hac n ASN 219 N -4.62 3.50 0.00 -2.05 0.23 -1.26 -4.43 115.26 106.63 3hac n ASN 219 Ca 0.19 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 52.27 3hac n ASN 219 Cb 0.45 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 3hac n ASN 219 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hac n GLY 220 N 1.33 0.68 0.09 4.83 0.00 -0.33 -4.69 105.19 107.10 3hac n GLY 220 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 3hac n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hac h THR 221 N 0.00 1.19 -3.05 2.61 2.02 -1.94 -3.45 112.91 110.30 3hac h THR 221 Ca 0.00 -0.60 -0.65 0.00 0.77 0.00 0.00 66.41 65.92 3hac h THR 221 Cb 0.00 1.38 -0.09 0.00 -1.74 0.00 0.00 68.15 67.70 3hac h THR 221 CO 0.00 0.18 -0.56 -0.36 0.37 0.00 0.00 175.52 175.15 3hac s PHE 222 N -5.29 3.33 -0.23 3.16 0.08 -1.26 -0.79 117.98 116.98 3hac s PHE 222 Ca -0.14 0.23 0.00 0.00 0.12 0.00 0.00 56.93 57.15 3hac s PHE 222 Cb 0.06 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.79 3hac s PHE 222 CO 0.70 0.57 -0.12 -1.17 -0.10 0.00 0.00 175.22 175.10 3hac s LEU 223 N -1.79 2.90 0.16 -0.37 2.96 0.70 -0.73 118.68 122.52 3hac s LEU 223 Ca 0.24 -0.92 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 3hac s LEU 223 Cb -0.12 -1.58 -0.06 0.00 0.50 0.00 0.00 46.19 44.93 3hac s LEU 223 CO 0.15 -0.10 0.45 0.00 -1.32 0.00 0.00 176.35 175.54 3hac s ALA 224 N 1.26 3.68 0.06 5.97 0.00 -0.08 -0.97 121.76 131.69 3hac s ALA 224 Ca -0.00 -0.40 -0.23 0.00 0.00 0.00 0.00 51.96 51.33 3hac s ALA 224 Cb -0.16 -2.29 0.06 0.00 0.00 0.00 0.00 23.12 20.73 3hac s ALA 224 CO -0.07 0.58 0.56 1.52 0.00 0.00 0.00 175.76 178.34 3hac s TYR 225 N -1.66 -0.47 0.11 0.00 1.13 0.25 -0.67 117.35 116.04 3hac s TYR 225 Ca 0.42 0.51 0.02 0.00 -1.41 0.00 0.00 57.07 56.61 3hac s TYR 225 Cb -0.12 0.40 -0.04 0.00 -1.10 0.00 0.00 41.96 41.10 3hac s TYR 225 CO 0.22 -0.69 0.21 0.00 -2.51 0.00 0.00 175.55 172.78 3hac s ALA 226 N -2.60 3.87 -0.12 9.51 0.00 -0.77 -0.67 121.76 130.97 3hac s ALA 226 Ca -0.04 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.93 3hac s ALA 226 Cb -0.01 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.45 3hac s ALA 226 CO -0.03 0.65 -0.14 -1.14 0.00 0.00 0.00 175.76 175.10 3hac s GLN 227 N -2.88 2.22 -0.16 0.00 0.74 -0.08 -1.11 119.66 118.38 3hac s GLN 227 Ca 0.33 -0.54 -0.06 0.00 0.05 0.00 0.00 55.36 55.14 3hac s GLN 227 Cb -0.12 -1.96 -0.04 0.00 1.10 0.00 0.00 33.01 32.00 3hac s GLN 227 CO 0.27 -0.14 0.03 -0.06 -0.55 0.00 0.00 175.29 174.84 3hac s PHE 228 N 1.22 3.21 -0.32 1.67 0.08 0.20 -1.30 117.98 122.74 3hac s PHE 228 Ca -0.01 0.04 -0.04 0.00 0.12 0.00 0.00 56.93 57.03 3hac s PHE 228 Cb -0.14 -2.00 0.04 0.00 -0.57 0.00 0.00 43.02 40.36 3hac s PHE 228 CO -0.06 0.20 0.05 1.21 -0.10 0.00 0.00 175.22 176.53 3hac s ASN 229 N 0.07 5.10 -0.21 1.36 3.84 -0.35 -0.74 114.94 124.02 3hac s ASN 229 Ca 0.04 -1.18 0.15 0.00 0.21 0.00 0.00 52.86 52.09 3hac s ASN 229 Cb -0.13 -1.80 0.67 0.00 -0.55 0.00 0.00 41.25 39.45 3hac s ASN 229 CO 0.01 -0.29 1.58 0.47 -2.79 0.00 0.00 177.10 176.09 3hac n ASP 230 N 4.73 4.79 -0.26 -4.21 9.92 0.79 -1.47 116.55 130.84 3hac n ASP 230 Ca -0.13 -2.98 0.06 0.00 -0.53 0.00 0.00 54.79 51.21 3hac n ASP 230 Cb 0.44 -0.61 0.18 0.00 -0.64 0.00 0.00 41.12 40.48 3hac n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3hac h THR 231 N 2.86 0.39 -0.44 -3.53 2.02 -1.85 -2.24 112.91 110.12 3hac h THR 231 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3hac h THR 231 Cb 1.71 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3hac h THR 231 CO 0.35 0.03 0.00 -0.62 0.37 0.00 0.00 175.52 175.65 3hac n GLU 232 N -5.28 2.97 -2.55 6.66 1.02 -1.26 -4.94 120.64 117.26 3hac n GLU 232 Ca 0.14 -2.37 -0.42 0.00 -0.02 0.00 0.00 57.16 54.50 3hac n GLU 232 Cb 0.49 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.41 3hac n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hac s VAL 233 N -1.35 4.44 0.74 2.62 1.01 -0.84 -4.69 120.40 122.34 3hac s VAL 233 Ca 0.34 1.75 -0.14 0.00 0.00 0.00 0.00 61.98 63.93 3hac s VAL 233 Cb 0.20 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 32.50 3hac s VAL 233 CO 0.19 0.03 1.16 -2.84 0.00 0.00 0.00 175.10 173.64 3hac s PRO 234 N 1.90 2.15 -0.15 2.72 0.02 -1.26 -4.71 135.00 135.67 3hac s PRO 234 Ca 0.54 1.57 -0.10 0.00 0.02 0.00 0.00 61.00 63.02 3hac s PRO 234 Cb -0.23 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 3hac s PRO 234 CO 0.22 -1.78 0.19 -0.51 -0.33 0.00 0.00 177.00 174.79 3hac s LEU 235 N -5.38 4.30 0.14 -5.54 1.43 -1.26 -1.33 118.68 111.04 3hac s LEU 235 Ca 0.70 0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 53.95 3hac s LEU 235 Cb -0.25 -2.18 -0.07 0.00 0.03 0.00 0.00 46.19 43.73 3hac s LEU 235 CO 0.47 0.26 0.87 -0.51 0.23 0.00 0.00 176.35 177.68 3hac s ILE 236 N -0.24 4.42 -0.05 -0.59 1.10 -0.25 -4.87 121.20 120.73 3hac s ILE 236 Ca 0.13 1.90 0.04 0.00 -0.51 0.00 0.00 60.65 62.22 3hac s ILE 236 Cb -0.12 -4.24 0.00 0.00 0.15 0.00 0.00 42.46 38.25 3hac s ILE 236 CO 0.03 0.41 -0.16 -1.61 -2.11 0.00 0.00 174.94 171.50 3hac s GLU 237 N -0.53 1.76 0.12 3.50 2.02 -1.26 -1.35 118.70 122.97 3hac s GLU 237 Ca 0.41 -0.56 -0.13 0.00 0.02 0.00 0.00 54.97 54.71 3hac s GLU 237 Cb -0.23 -1.51 0.02 0.00 0.10 0.00 0.00 34.13 32.51 3hac s GLU 237 CO 0.28 0.19 0.33 1.52 0.02 0.00 0.00 175.26 177.61 3hac s TYR 238 N 0.18 -0.06 0.22 1.61 1.13 -0.71 -4.98 117.35 114.73 3hac s TYR 238 Ca -0.06 -0.29 -0.22 0.00 -1.41 0.00 0.00 57.07 55.09 3hac s TYR 238 Cb -0.12 0.15 -0.08 0.00 -1.10 0.00 0.00 41.96 40.80 3hac s TYR 238 CO 0.03 -0.66 0.76 -1.12 -2.51 0.00 0.00 175.55 172.05 3hac s SER 239 N -2.83 7.17 -0.14 -0.18 0.01 -1.26 0.05 113.70 116.51 3hac s SER 239 Ca 0.04 1.52 0.01 0.00 1.31 0.00 0.00 55.95 58.83 3hac s SER 239 Cb 0.03 -2.46 0.02 0.00 0.21 0.00 0.00 66.02 63.82 3hac s SER 239 CO -0.11 0.06 -0.14 0.12 0.41 0.00 0.00 173.24 173.58 3hac s PHE 240 N -1.45 2.12 0.02 2.43 5.36 0.15 -4.68 117.98 121.93 3hac s PHE 240 Ca 0.42 -1.16 0.04 0.00 -0.96 0.00 0.00 56.93 55.27 3hac s PHE 240 Cb -0.18 -1.56 -0.25 0.00 -0.34 0.00 0.00 43.02 40.69 3hac s PHE 240 CO 0.22 -0.63 0.90 1.88 -1.46 0.00 0.00 175.22 176.13 3hac h TYR 241 N 7.94 0.22 -1.11 10.12 -1.99 -1.96 0.10 116.97 130.30 3hac h TYR 241 Ca -0.37 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.20 3hac h TYR 241 Cb 1.14 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.86 3hac h TYR 241 CO 0.47 1.20 0.00 0.45 -0.00 0.00 0.00 178.16 180.28 3hac n SER 242 N -3.32 -3.32 -4.70 3.88 2.88 -1.26 -4.72 113.62 103.06 3hac n SER 242 Ca -0.13 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.08 3hac n SER 242 Cb 1.02 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.61 3hac n SER 242 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3hac s ASP 243 N -4.00 3.59 0.63 -3.46 -1.08 -1.26 -4.87 116.67 106.22 3hac s ASP 243 Ca 0.00 2.29 0.41 0.00 -0.52 0.00 0.00 52.55 54.74 3hac s ASP 243 Cb 0.00 -2.58 2.08 0.00 -1.46 0.00 0.00 42.92 40.96 3hac s ASP 243 CO 0.00 -2.66 2.24 1.05 0.52 0.00 0.00 175.17 176.32 3hac h GLU 244 N -1.03 0.00 0.00 4.34 4.11 -2.05 -1.72 114.58 118.23 3hac h GLU 244 Ca -0.46 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.97 3hac h GLU 244 Cb 1.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 3hac h GLU 244 CO 0.46 0.00 -0.03 0.66 0.07 0.00 0.00 179.01 180.17 3hac h SER 245 N 0.00 0.00 -2.79 3.06 4.64 -1.93 -3.42 113.55 113.11 3hac h SER 245 Ca -0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3hac h SER 245 Cb 0.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 3hac h SER 245 CO 0.00 0.03 1.07 -0.22 -0.87 0.00 0.00 176.83 176.84 3hac s LEU 246 N -8.41 4.02 0.01 5.97 2.96 -0.65 -4.92 118.68 117.66 3hac s LEU 246 Ca -0.05 1.71 -0.22 0.00 -0.22 0.00 0.00 54.13 55.36 3hac s LEU 246 Cb 0.16 -3.53 -0.18 0.00 0.50 0.00 0.00 46.19 43.14 3hac s LEU 246 CO 0.62 -1.10 1.24 -0.61 -1.32 0.00 0.00 176.35 175.18 3hac h GLN 247 N 9.99 0.30 -5.35 1.98 4.15 -1.89 -3.43 115.11 120.85 3hac h GLN 247 Ca -0.33 -0.20 -0.64 0.00 0.77 0.00 0.00 58.65 58.25 3hac h GLN 247 Cb 1.15 0.03 -0.22 0.00 0.21 0.00 0.00 27.48 28.64 3hac h GLN 247 CO 0.99 0.80 -0.69 0.71 -1.93 0.00 0.00 178.83 178.72 3hac s TYR 248 N -3.92 2.98 0.70 3.99 2.02 -1.26 -5.10 117.35 116.76 3hac s TYR 248 Ca -0.15 -0.34 -0.16 0.00 -0.37 0.00 0.00 57.07 56.05 3hac s TYR 248 Cb 0.04 -1.92 0.02 0.00 -0.40 0.00 0.00 41.96 39.70 3hac s TYR 248 CO 0.75 -0.04 1.25 -2.14 -1.57 0.00 0.00 175.55 173.80 3hac s PRO 249 N 0.28 2.25 0.07 -1.71 0.02 -1.26 -4.99 135.00 129.65 3hac s PRO 249 Ca -0.05 1.92 -0.14 0.00 0.02 0.00 0.00 61.00 62.75 3hac s PRO 249 Cb -0.14 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.49 3hac s PRO 249 CO 0.03 -1.79 0.46 0.21 -0.33 0.00 0.00 177.00 175.59 3hac s LYS 250 N -3.68 3.93 -0.35 5.54 2.20 0.02 -4.90 119.74 122.51 3hac s LYS 250 Ca 0.78 0.42 -0.15 0.00 -0.36 0.00 0.00 55.97 56.66 3hac s LYS 250 Cb -0.33 -3.09 -0.01 0.00 -1.51 0.00 0.00 37.83 32.88 3hac s LYS 250 CO 0.43 0.60 0.35 0.99 -0.36 0.00 0.00 175.35 177.36 3hac s THR 251 N -1.26 5.18 0.02 3.43 2.01 -1.26 0.33 115.64 124.08 3hac s THR 251 Ca 0.30 -0.01 -0.28 0.00 0.31 0.00 0.00 61.69 62.01 3hac s THR 251 Cb -0.16 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3hac s THR 251 CO 0.17 -0.11 0.90 -0.69 -0.69 0.00 0.00 174.62 174.20 3hac s VAL 252 N 1.99 4.80 -0.14 3.82 1.01 0.11 -4.91 120.40 127.07 3hac s VAL 252 Ca 0.11 1.90 -0.01 0.00 0.00 0.00 0.00 61.98 63.98 3hac s VAL 252 Cb -0.17 -4.24 0.04 0.00 0.00 0.00 0.00 36.38 32.00 3hac s VAL 252 CO 0.12 0.24 -0.05 -0.13 0.00 0.00 0.00 175.10 175.27 3hac s ARG 253 N 0.59 1.39 -0.10 2.72 0.52 -1.26 -1.74 118.95 121.07 3hac s ARG 253 Ca 0.46 -0.38 0.01 0.00 -0.52 0.00 0.00 55.73 55.31 3hac s ARG 253 Cb -0.21 -1.80 0.02 0.00 0.52 0.00 0.00 34.95 33.48 3hac s ARG 253 CO 0.26 -0.37 -0.13 0.08 0.02 0.00 0.00 175.30 175.16 3hac s VAL 254 N 1.69 1.33 -0.05 3.52 1.01 -0.45 -4.96 120.40 122.49 3hac s VAL 254 Ca 0.02 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 3hac s VAL 254 Cb -0.14 -1.24 -0.08 0.00 0.00 0.00 0.00 36.38 34.92 3hac s VAL 254 CO -0.08 0.41 2.06 -2.65 0.00 0.00 0.00 175.10 174.84 3hac n PRO 255 N 4.29 2.57 -3.38 2.72 -0.02 -1.26 -1.09 135.00 138.83 3hac n PRO 255 Ca -0.19 0.88 -0.11 0.00 -2.02 0.00 0.00 63.50 62.06 3hac n PRO 255 Cb 0.51 -3.09 -0.09 0.00 -0.02 0.00 0.00 33.50 30.81 3hac n PRO 255 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hac s TYR 256 N 5.76 -0.70 -0.33 6.00 6.14 -0.44 -4.43 117.35 129.35 3hac s TYR 256 Ca 0.93 0.68 -0.26 0.00 0.64 0.00 0.00 57.07 59.06 3hac s TYR 256 Cb -0.40 -0.07 0.01 0.00 0.42 0.00 0.00 41.96 41.92 3hac s TYR 256 CO 0.40 -0.70 0.91 -1.25 0.64 0.00 0.00 175.55 175.55 3hac s PRO 257 N 2.50 3.95 0.82 4.97 0.04 -1.26 -4.50 135.00 141.52 3hac s PRO 257 Ca 0.11 0.71 -0.12 0.00 0.04 0.00 0.00 61.00 61.74 3hac s PRO 257 Cb -0.15 -3.76 0.09 0.00 0.04 0.00 0.00 34.50 30.72 3hac s PRO 257 CO -0.15 -0.83 1.14 0.15 0.04 0.00 0.00 177.00 177.35 3hac s LYS 258 N 3.31 1.86 0.07 4.56 1.02 -1.26 -0.60 119.74 128.69 3hac s LYS 258 Ca 0.38 0.28 -0.34 0.00 0.02 0.00 0.00 55.97 56.31 3hac s LYS 258 Cb -0.13 -1.92 -0.14 0.00 -0.52 0.00 0.00 37.83 35.12 3hac s LYS 258 CO 0.15 -1.70 1.65 0.00 -0.92 0.00 0.00 175.35 174.53 3hac n ALA 259 N -3.42 0.97 -0.27 5.17 0.00 -0.36 -1.24 120.51 121.35 3hac n ALA 259 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3hac n ALA 259 Cb 0.59 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.68 3hac n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hac n GLY 260 N 3.64 1.85 3.88 0.00 0.00 -1.26 -4.81 105.19 108.48 3hac n GLY 260 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3hac n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hac s ALA 261 N -3.05 2.24 0.04 4.61 0.00 -0.37 -4.98 121.76 120.24 3hac s ALA 261 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 3hac s ALA 261 Cb 0.00 -2.88 -0.07 0.00 0.00 0.00 0.00 23.12 20.17 3hac s ALA 261 CO 0.00 -2.20 1.58 0.08 0.00 0.00 0.00 175.76 175.22 3hac s VAL 262 N -3.65 3.29 0.43 0.00 1.01 -1.26 -4.91 120.40 115.31 3hac s VAL 262 Ca 0.68 0.69 -0.05 0.00 0.00 0.00 0.00 61.98 63.30 3hac s VAL 262 Cb -0.08 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3hac s VAL 262 CO 0.52 -0.01 0.73 0.20 0.00 0.00 0.00 175.10 176.53 3hac s ASN 263 N 2.33 6.32 0.74 3.32 0.01 -1.26 -4.39 114.94 122.01 3hac s ASN 263 Ca 0.71 0.86 -0.14 0.00 -0.71 0.00 0.00 52.86 53.58 3hac s ASN 263 Cb -0.37 -2.22 0.04 0.00 0.41 0.00 0.00 41.25 39.12 3hac s ASN 263 CO 0.30 -0.47 1.18 -2.16 -1.51 0.00 0.00 177.10 174.44 3hac s PRO 264 N -4.44 2.14 0.34 -0.60 0.04 -1.26 -4.77 135.00 126.44 3hac s PRO 264 Ca 0.46 1.65 0.08 0.00 0.04 0.00 0.00 61.00 63.23 3hac s PRO 264 Cb -0.10 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 3hac s PRO 264 CO 0.40 -1.81 0.27 0.95 0.04 0.00 0.00 177.00 176.85 3hac s THR 265 N -2.15 3.41 0.00 1.26 -4.23 -0.54 -4.93 115.64 108.47 3hac s THR 265 Ca 0.72 -1.43 -0.00 0.00 -1.18 0.00 0.00 61.69 59.80 3hac s THR 265 Cb -0.27 -3.14 -0.01 0.00 1.34 0.00 0.00 72.50 70.43 3hac s THR 265 CO 0.46 -0.17 -0.00 0.54 -0.54 0.00 0.00 174.62 174.91 3hac s VAL 266 N -2.33 0.04 0.14 2.29 0.11 -1.26 -1.21 120.40 118.17 3hac s VAL 266 Ca 0.41 -0.31 0.06 0.00 -2.93 0.00 0.00 61.98 59.21 3hac s VAL 266 Cb -0.05 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 3hac s VAL 266 CO 0.26 -0.17 -0.13 -0.54 -3.33 0.00 0.00 175.10 171.19 3hac s LYS 267 N -0.49 1.07 -0.04 1.54 1.02 -0.42 -4.99 119.74 117.43 3hac s LYS 267 Ca -0.05 -1.32 0.05 0.00 0.02 0.00 0.00 55.97 54.67 3hac s LYS 267 Cb -0.03 -0.88 -0.01 0.00 -0.52 0.00 0.00 37.83 36.39 3hac s LYS 267 CO -0.00 0.16 -0.18 0.12 -0.92 0.00 0.00 175.35 174.53 3hac s PHE 268 N -2.43 1.72 0.07 3.18 5.36 -1.26 -0.91 117.98 123.71 3hac s PHE 268 Ca 0.12 -0.46 0.02 0.00 -0.96 0.00 0.00 56.93 55.64 3hac s PHE 268 Cb -0.03 -1.15 -0.03 0.00 -0.34 0.00 0.00 43.02 41.47 3hac s PHE 268 CO 0.03 -0.14 -0.07 -0.06 -1.46 0.00 0.00 175.22 173.53 3hac s PHE 269 N -0.07 0.75 -0.05 10.12 0.40 0.16 -0.99 117.98 128.29 3hac s PHE 269 Ca -0.01 -0.75 0.01 0.00 -0.60 0.00 0.00 56.93 55.58 3hac s PHE 269 Cb -0.11 -0.45 0.02 0.00 0.51 0.00 0.00 43.02 43.00 3hac s PHE 269 CO 0.02 -0.15 -0.07 0.08 0.70 0.00 0.00 175.22 175.80 3hac s VAL 270 N -2.69 0.70 0.00 -0.44 1.01 0.11 -0.58 120.40 118.51 3hac s VAL 270 Ca 0.02 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 61.85 3hac s VAL 270 Cb -0.01 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 3hac s VAL 270 CO -0.03 0.26 -0.24 0.54 0.00 0.00 0.00 175.10 175.62 3hac s VAL 271 N 0.79 2.24 -0.61 2.92 0.11 -0.14 -0.41 120.40 125.29 3hac s VAL 271 Ca -0.12 -1.17 -0.24 0.00 -2.93 0.00 0.00 61.98 57.52 3hac s VAL 271 Cb -0.14 -1.83 0.05 0.00 -1.53 0.00 0.00 36.38 32.93 3hac s VAL 271 CO 0.01 0.49 0.97 0.21 -3.33 0.00 0.00 175.10 173.46 3hac s ASN 272 N -0.90 6.25 0.46 3.54 3.04 -1.26 -0.21 114.94 125.85 3hac s ASN 272 Ca 0.11 -0.66 0.24 0.00 0.04 0.00 0.00 52.86 52.59 3hac s ASN 272 Cb -0.10 -2.44 1.08 0.00 -1.54 0.00 0.00 41.25 38.25 3hac s ASN 272 CO 0.01 -1.37 1.91 0.71 -3.04 0.00 0.00 177.10 175.32 3hac h THR 273 N 6.00 0.64 0.00 -5.21 1.35 -1.26 -2.62 112.91 111.80 3hac h THR 273 Ca -0.28 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 3hac h THR 273 Cb 1.07 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 3hac h THR 273 CO 1.14 0.21 0.00 0.44 -0.25 0.00 0.00 175.52 177.06 3hac h ASP 274 N 0.00 0.00 0.32 5.36 3.32 -1.87 -2.49 116.42 121.05 3hac h ASP 274 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hac h ASP 274 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3hac h ASP 274 CO 0.03 0.00 -0.43 -1.54 -1.72 0.00 0.00 179.24 175.57 3hac n SER 275 N -2.78 0.86 -0.29 6.45 3.41 -0.99 -4.47 113.62 115.82 3hac n SER 275 Ca -0.00 -0.66 0.03 0.00 -0.26 0.00 0.00 58.87 57.97 3hac n SER 275 Cb 0.19 0.27 0.23 0.00 -0.26 0.00 0.00 64.21 64.64 3hac n SER 275 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3hac h LEU 276 N 0.67 0.91 -0.27 1.04 3.38 -1.56 -0.86 115.31 118.62 3hac h LEU 276 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hac h LEU 276 Cb 0.52 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3hac h LEU 276 CO 0.00 0.61 -0.06 -1.54 0.09 0.00 0.00 178.44 177.55 3hac n SER 277 N -4.46 0.47 -0.01 -0.43 3.41 -1.26 -3.78 113.62 107.56 3hac n SER 277 Ca 0.12 -0.79 0.05 0.00 -0.26 0.00 0.00 58.87 57.99 3hac n SER 277 Cb 0.14 -0.06 -0.09 0.00 -0.26 0.00 0.00 64.21 63.94 3hac n SER 277 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hac n SER 278 N -0.82 2.20 -4.22 4.04 7.64 -0.38 -5.01 113.62 117.07 3hac n SER 278 Ca 0.18 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.83 3hac n SER 278 Cb 0.24 1.46 -0.13 0.00 -1.01 0.00 0.00 64.21 64.77 3hac n SER 278 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3hac s VAL 279 N -2.78 1.42 0.39 0.44 -7.23 -0.86 -5.05 120.40 106.74 3hac s VAL 279 Ca -0.05 -1.27 0.14 0.00 -1.81 0.00 0.00 61.98 58.99 3hac s VAL 279 Cb 0.07 -1.29 0.12 0.00 0.56 0.00 0.00 36.38 35.85 3hac s VAL 279 CO 0.50 -0.02 1.88 0.00 -0.31 0.00 0.00 175.10 177.16 3hac h THR 280 N 4.30 1.20 -1.47 5.32 1.03 -1.91 -3.40 112.91 117.99 3hac h THR 280 Ca -0.42 -1.07 -0.26 0.00 -0.01 0.00 0.00 66.41 64.65 3hac h THR 280 Cb 1.18 1.58 -0.24 0.00 -1.07 0.00 0.00 68.15 69.60 3hac h THR 280 CO 0.42 0.30 -0.61 0.21 -0.01 0.00 0.00 175.52 175.83 3hac s ASN 281 N -6.93 -0.32 0.35 0.00 2.47 -1.26 -5.05 114.94 104.21 3hac s ASN 281 Ca -0.03 -1.67 -0.29 0.00 0.42 0.00 0.00 52.86 51.30 3hac s ASN 281 Cb 0.15 1.19 -0.11 0.00 -1.45 0.00 0.00 41.25 41.03 3hac s ASN 281 CO 0.71 -0.15 1.53 0.00 -3.72 0.00 0.00 177.10 175.47 3hac n ALA 282 N 3.64 2.48 -2.70 1.71 0.00 -1.26 -4.94 120.51 119.44 3hac n ALA 282 Ca 0.16 0.35 -0.41 0.00 0.00 0.00 0.00 53.44 53.54 3hac n ALA 282 Cb 0.52 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.50 3hac n ALA 282 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hac s THR 283 N -0.76 4.90 -0.30 0.00 2.01 -1.26 -5.02 115.64 115.20 3hac s THR 283 Ca 0.57 1.88 -0.25 0.00 0.31 0.00 0.00 61.69 64.19 3hac s THR 283 Cb -0.48 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 67.80 3hac s THR 283 CO 0.59 0.14 0.89 -0.44 -0.69 0.00 0.00 174.62 175.11 3hac s SER 284 N 0.99 6.77 -0.21 3.53 0.01 -1.26 -4.54 113.70 118.99 3hac s SER 284 Ca 0.47 0.83 -0.21 0.00 1.31 0.00 0.00 55.95 58.35 3hac s SER 284 Cb -0.19 -2.46 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 3hac s SER 284 CO 0.23 -0.69 0.65 -0.63 0.41 0.00 0.00 173.24 173.21 3hac s ILE 285 N 3.17 4.99 0.19 1.44 -1.09 0.45 -4.83 121.20 125.52 3hac s ILE 285 Ca 0.37 1.22 -0.29 0.00 -2.23 0.00 0.00 60.65 59.72 3hac s ILE 285 Cb -0.14 -3.96 -0.08 0.00 -1.58 0.00 0.00 42.46 36.70 3hac s ILE 285 CO 0.13 0.08 0.91 -1.58 -1.23 0.00 0.00 174.94 173.25 3hac s GLN 286 N 2.10 4.76 -0.28 2.79 0.74 -1.26 -0.71 119.66 127.80 3hac s GLN 286 Ca 0.29 1.41 -0.05 0.00 0.05 0.00 0.00 55.36 57.06 3hac s GLN 286 Cb -0.16 -3.30 0.01 0.00 1.10 0.00 0.00 33.01 30.66 3hac s GLN 286 CO 0.10 0.45 0.04 0.42 -0.55 0.00 0.00 175.29 175.75 3hac s ILE 287 N -0.85 3.69 0.30 -2.34 1.01 -0.16 -4.88 121.20 117.97 3hac s ILE 287 Ca 0.41 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 60.13 3hac s ILE 287 Cb -0.25 -2.90 -0.09 0.00 0.01 0.00 0.00 42.46 39.24 3hac s ILE 287 CO 0.30 0.11 0.74 0.42 0.00 0.00 0.00 174.94 176.51 3hac s THR 288 N 1.46 4.65 0.68 2.92 -4.23 -1.26 -4.17 115.64 115.69 3hac s THR 288 Ca 0.02 1.02 -0.17 0.00 -1.18 0.00 0.00 61.69 61.38 3hac s THR 288 Cb -0.17 -3.66 0.01 0.00 1.34 0.00 0.00 72.50 70.02 3hac s THR 288 CO 0.01 -0.11 1.27 0.00 -0.54 0.00 0.00 174.62 175.24 3hac s ALA 289 N -1.90 2.26 0.80 3.99 0.00 -1.26 -4.99 121.76 120.66 3hac s ALA 289 Ca 0.52 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 53.47 3hac s ALA 289 Cb -0.11 -3.53 0.08 0.00 0.00 0.00 0.00 23.12 19.55 3hac s ALA 289 CO 0.18 -1.73 1.17 -1.25 0.00 0.00 0.00 175.76 174.13 3hac s PRO 290 N -3.56 1.80 0.36 0.00 0.04 -1.26 -4.74 135.00 127.63 3hac s PRO 290 Ca 0.80 1.60 0.12 0.00 0.04 0.00 0.00 61.00 63.56 3hac s PRO 290 Cb -0.35 -1.81 0.91 0.00 0.04 0.00 0.00 34.50 33.29 3hac s PRO 290 CO 0.42 -2.06 1.82 0.00 0.04 0.00 0.00 177.00 177.21 3hac h ALA 291 N -0.93 1.94 0.00 8.56 0.00 -1.98 -0.44 119.26 126.42 3hac h ALA 291 Ca -0.45 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hac h ALA 291 Cb 1.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3hac h ALA 291 CO 0.47 -0.27 0.00 0.66 0.00 0.00 0.00 179.25 180.11 3hac h SER 292 N 0.59 0.00 0.05 0.00 4.64 -2.02 -2.69 113.55 114.12 3hac h SER 292 Ca 0.53 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.47 3hac h SER 292 Cb 1.04 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.08 3hac h SER 292 CO -0.27 0.00 -2.22 0.23 -0.87 0.00 0.00 176.83 173.69 3hac n MET 293 N -2.78 0.69 0.31 4.77 2.00 -0.25 -4.47 117.12 117.38 3hac n MET 293 Ca -0.01 0.23 0.19 0.00 0.00 0.00 0.00 57.70 58.11 3hac n MET 293 Cb 0.14 -1.61 0.98 0.00 0.00 0.00 0.00 33.22 32.73 3hac n MET 293 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3hac h LEU 294 N -0.09 0.00 -2.53 4.03 3.38 -1.09 -2.65 115.31 116.36 3hac h LEU 294 Ca -0.51 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.47 3hac h LEU 294 Cb 1.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.65 3hac h LEU 294 CO -0.05 0.02 0.12 0.16 0.09 0.00 0.00 178.44 178.78 3hac h ILE 295 N 0.00 0.20 -1.75 1.22 3.07 -1.71 -3.46 117.51 115.09 3hac h ILE 295 Ca -0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3hac h ILE 295 Cb 0.19 0.89 0.00 0.00 -0.27 0.00 0.00 36.82 37.63 3hac h ILE 295 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 3hac n GLY 296 N -1.23 2.59 3.78 0.16 0.00 -1.00 -5.14 105.19 104.35 3hac n GLY 296 Ca -0.02 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 3hac n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hac s ASP 297 N -0.29 6.36 0.29 1.61 1.01 -1.26 -4.95 116.67 119.43 3hac s ASP 297 Ca 0.00 3.03 -0.11 0.00 0.71 0.00 0.00 52.55 56.18 3hac s ASP 297 Cb 0.00 -2.67 0.01 0.00 1.01 0.00 0.00 42.92 41.27 3hac s ASP 297 CO 0.00 -0.87 0.54 -1.38 0.21 0.00 0.00 175.17 173.68 3hac s HIS 298 N -1.04 0.45 0.06 4.23 -3.43 -1.26 -1.61 115.29 112.69 3hac s HIS 298 Ca 0.53 -0.84 0.05 0.00 -0.80 0.00 0.00 55.06 54.01 3hac s HIS 298 Cb -0.46 0.26 -0.03 0.00 -1.43 0.00 0.00 32.58 30.92 3hac s HIS 298 CO 0.62 -1.13 -0.14 0.71 -2.00 0.00 0.00 174.74 172.80 3hac s TYR 299 N -3.53 1.16 -0.22 0.38 2.02 0.12 -4.82 117.35 112.46 3hac s TYR 299 Ca 0.22 -0.44 -0.23 0.00 -0.37 0.00 0.00 57.07 56.25 3hac s TYR 299 Cb -0.02 -0.66 -0.01 0.00 -0.40 0.00 0.00 41.96 40.87 3hac s TYR 299 CO 0.12 0.04 0.77 -1.17 -1.57 0.00 0.00 175.55 173.74 3hac s LEU 300 N -1.59 4.11 0.00 -1.29 2.96 -1.26 -0.58 118.68 121.03 3hac s LEU 300 Ca -0.02 0.98 0.02 0.00 -0.22 0.00 0.00 54.13 54.89 3hac s LEU 300 Cb -0.09 -3.10 -0.01 0.00 0.50 0.00 0.00 46.19 43.48 3hac s LEU 300 CO 0.02 -0.43 0.17 0.00 -1.32 0.00 0.00 176.35 174.79 3hac s ASP 302 N -0.99 -0.71 -0.08 0.00 -1.08 -1.13 -4.87 116.67 107.81 3hac s ASP 302 Ca 0.01 1.30 -0.01 0.00 -0.52 0.00 0.00 52.55 53.34 3hac s ASP 302 Cb 0.01 1.30 0.03 0.00 -1.46 0.00 0.00 42.92 42.80 3hac s ASP 302 CO 0.07 -0.29 -0.03 -0.69 0.52 0.00 0.00 175.17 174.75 3hac s VAL 303 N 0.15 0.60 -0.10 1.11 1.01 -1.26 -0.80 120.40 121.11 3hac s VAL 303 Ca -0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 3hac s VAL 303 Cb -0.04 -0.69 0.05 0.00 0.00 0.00 0.00 36.38 35.70 3hac s VAL 303 CO 0.02 0.28 0.15 -0.89 0.00 0.00 0.00 175.10 174.66 3hac s THR 304 N 1.65 -0.23 0.27 3.92 2.01 -0.24 -5.03 115.64 118.00 3hac s THR 304 Ca 0.01 0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.96 3hac s THR 304 Cb -0.13 -0.36 -0.10 0.00 0.01 0.00 0.00 72.50 71.92 3hac s THR 304 CO -0.05 0.05 1.31 0.26 -0.69 0.00 0.00 174.62 175.51 3hac s TRP 305 N 2.26 3.15 -0.27 4.92 0.52 -1.26 -0.05 118.94 128.21 3hac s TRP 305 Ca 0.04 1.31 -0.10 0.00 0.02 0.00 0.00 56.10 57.37 3hac s TRP 305 Cb -0.13 -3.65 -0.14 0.00 -1.15 0.00 0.00 33.47 28.40 3hac s TRP 305 CO -0.07 -1.89 -0.29 0.00 0.02 0.00 0.00 176.95 174.72 3hac n ALA 306 N 1.63 1.24 -3.51 0.98 0.00 0.11 -4.87 120.51 116.09 3hac n ALA 306 Ca 0.03 -1.08 -0.09 0.00 0.00 0.00 0.00 53.44 52.30 3hac n ALA 306 Cb 0.42 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 3hac n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hac n THR 307 N -3.99 0.00 0.30 0.00 -2.24 -0.91 -4.49 114.28 102.94 3hac n THR 307 Ca -0.51 -0.97 0.15 0.00 -2.27 0.00 0.00 64.05 60.44 3hac n THR 307 Cb 0.91 0.50 0.92 0.00 -2.10 0.00 0.00 70.33 70.56 3hac n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3hac h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.97 -3.19 115.11 110.25 3hac h GLN 308 Ca -0.10 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.07 3hac h GLN 308 Cb 0.50 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.86 3hac h GLN 308 CO 0.14 0.00 -0.45 0.39 -0.95 0.00 0.00 178.83 177.97 3hac n GLU 309 N -3.82 0.60 -3.69 1.46 1.02 -1.26 -4.86 120.64 110.09 3hac n GLU 309 Ca -0.03 -1.97 -0.17 0.00 -0.02 0.00 0.00 57.16 54.96 3hac n GLU 309 Cb 0.08 -0.86 -0.16 0.00 -0.02 0.00 0.00 31.44 30.48 3hac n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3hac s ARG 310 N -1.31 -0.00 0.01 3.49 3.52 -1.21 -1.19 118.95 122.26 3hac s ARG 310 Ca 0.21 0.44 0.08 0.00 -0.13 0.00 0.00 55.73 56.32 3hac s ARG 310 Cb 0.21 -0.34 -0.02 0.00 -1.56 0.00 0.00 34.95 33.24 3hac s ARG 310 CO -0.03 -0.28 -0.23 -1.50 -0.81 0.00 0.00 175.30 172.44 3hac s ILE 311 N 1.98 1.85 -0.06 4.11 2.07 -0.48 0.08 121.20 130.75 3hac s ILE 311 Ca 0.01 -1.13 0.01 0.00 -1.41 0.00 0.00 60.65 58.13 3hac s ILE 311 Cb -0.12 -1.57 -0.03 0.00 0.13 0.00 0.00 42.46 40.87 3hac s ILE 311 CO -0.05 0.41 -0.06 -0.94 -1.91 0.00 0.00 174.94 172.39 3hac s SER 312 N -0.85 4.71 -0.02 4.50 1.04 0.93 -0.39 113.70 123.62 3hac s SER 312 Ca 0.09 -0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.53 3hac s SER 312 Cb -0.09 -1.19 -0.00 0.00 0.10 0.00 0.00 66.02 64.84 3hac s SER 312 CO 0.00 0.35 -0.11 -0.76 0.98 0.00 0.00 173.24 173.70 3hac s LEU 313 N -0.90 1.88 -0.10 2.42 1.43 -0.53 -1.08 118.68 121.80 3hac s LEU 313 Ca 0.13 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3hac s LEU 313 Cb -0.11 -0.65 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 3hac s LEU 313 CO 0.02 0.11 -0.05 -1.10 0.23 0.00 0.00 176.35 175.56 3hac s GLN 314 N 0.02 3.08 0.07 1.70 -0.21 0.02 -0.84 119.66 123.51 3hac s GLN 314 Ca -0.01 -0.52 0.09 0.00 0.02 0.00 0.00 55.36 54.94 3hac s GLN 314 Cb -0.08 -2.72 -0.03 0.00 1.00 0.00 0.00 33.01 31.18 3hac s GLN 314 CO 0.00 0.53 -0.22 -1.58 -2.12 0.00 0.00 175.29 171.90 3hac s TRP 315 N -0.43 2.44 -0.06 0.91 0.52 0.55 -0.63 118.94 122.23 3hac s TRP 315 Ca 0.07 -0.33 0.03 0.00 0.02 0.00 0.00 56.10 55.89 3hac s TRP 315 Cb -0.12 -1.38 0.01 0.00 -1.15 0.00 0.00 33.47 30.83 3hac s TRP 315 CO 0.02 0.26 -0.14 -1.17 0.02 0.00 0.00 176.95 175.94 3hac s LEU 316 N -1.65 1.74 0.59 2.99 2.96 0.25 -0.91 118.68 124.65 3hac s LEU 316 Ca 0.14 -0.33 -0.19 0.00 -0.22 0.00 0.00 54.13 53.53 3hac s LEU 316 Cb -0.10 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 3hac s LEU 316 CO 0.05 0.07 1.19 -0.13 -1.32 0.00 0.00 176.35 176.21 3hac s ARG 317 N 0.53 3.02 0.40 1.98 0.52 -0.89 0.12 118.95 124.63 3hac s ARG 317 Ca -0.13 1.78 0.12 0.00 -0.52 0.00 0.00 55.73 56.97 3hac s ARG 317 Cb -0.15 -1.94 0.94 0.00 0.52 0.00 0.00 34.95 34.31 3hac s ARG 317 CO 0.04 -1.16 1.95 -0.09 0.02 0.00 0.00 175.30 176.06 3hac h ARG 318 N 0.90 0.52 -6.48 3.54 2.43 -1.62 -3.16 114.38 110.51 3hac h ARG 318 Ca -0.50 -0.03 -0.56 0.00 -0.81 0.00 0.00 59.98 58.08 3hac h ARG 318 Cb 1.29 -0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 30.64 3hac h ARG 318 CO 0.55 0.34 0.93 0.42 -1.51 0.00 0.00 179.97 180.71 3hac s ILE 319 N -5.50 4.04 -0.16 1.20 -1.09 -1.26 -4.82 121.20 113.61 3hac s ILE 319 Ca -0.09 0.80 -0.00 0.00 -2.23 0.00 0.00 60.65 59.13 3hac s ILE 319 Cb 0.20 -4.72 0.14 0.00 -1.58 0.00 0.00 42.46 36.50 3hac s ILE 319 CO 0.76 -1.35 1.78 0.00 -1.23 0.00 0.00 174.94 174.90 3hac n GLN 320 N 8.38 1.41 -0.33 2.79 6.02 -1.20 -3.81 117.38 130.65 3hac n GLN 320 Ca 0.07 -0.84 0.08 0.00 -0.01 0.00 0.00 57.00 56.30 3hac n GLN 320 Cb 0.49 -1.33 0.22 0.00 1.02 0.00 0.00 30.24 30.63 3hac n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3hac n ASN 321 N 0.62 3.42 -3.64 1.08 0.23 -1.26 -1.20 115.26 114.51 3hac n ASN 321 Ca 0.16 -2.85 -0.13 0.00 -0.53 0.00 0.00 54.58 51.23 3hac n ASN 321 Cb 0.62 -0.46 -0.12 0.00 -2.08 0.00 0.00 39.78 37.74 3hac n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3hac s TYR 322 N -2.52 -0.49 0.09 -2.53 6.14 -1.25 -1.88 117.35 114.91 3hac s TYR 322 Ca 0.36 1.00 0.06 0.00 0.64 0.00 0.00 57.07 59.13 3hac s TYR 322 Cb 0.29 -0.00 -0.03 0.00 0.42 0.00 0.00 41.96 42.63 3hac s TYR 322 CO 0.08 -0.41 -0.15 0.45 0.64 0.00 0.00 175.55 176.17 3hac s SER 323 N 2.45 1.84 -0.07 4.32 0.15 0.48 -2.10 113.70 120.77 3hac s SER 323 Ca 0.02 -0.67 0.01 0.00 0.70 0.00 0.00 55.95 56.00 3hac s SER 323 Cb -0.12 -0.06 0.02 0.00 -1.71 0.00 0.00 66.02 64.15 3hac s SER 323 CO -0.10 -0.08 -0.06 -0.69 1.20 0.00 0.00 173.24 173.52 3hac s VAL 324 N -1.46 0.72 -0.22 4.45 1.01 -0.09 -0.98 120.40 123.83 3hac s VAL 324 Ca 0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 3hac s VAL 324 Cb -0.09 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 3hac s VAL 324 CO 0.03 0.28 0.16 -0.32 0.00 0.00 0.00 175.10 175.25 3hac s MET 325 N 1.21 4.14 -0.01 2.72 1.75 0.95 -0.33 119.30 129.73 3hac s MET 325 Ca -0.06 -0.21 -0.00 0.00 -1.25 0.00 0.00 55.69 54.17 3hac s MET 325 Cb -0.14 -3.48 -0.04 0.00 2.84 0.00 0.00 34.83 34.01 3hac s MET 325 CO -0.02 0.17 0.06 -0.51 -0.65 0.00 0.00 175.02 174.07 3hac s ASP 326 N 0.72 5.54 -0.21 1.11 1.01 -0.02 -0.73 116.67 124.08 3hac s ASP 326 Ca 0.09 0.11 0.02 0.00 0.71 0.00 0.00 52.55 53.47 3hac s ASP 326 Cb -0.12 -1.56 0.04 0.00 1.01 0.00 0.00 42.92 42.29 3hac s ASP 326 CO 0.02 0.28 -0.13 -0.63 0.21 0.00 0.00 175.17 174.92 3hac s ILE 327 N -1.16 1.92 -0.10 0.77 1.01 -1.26 -1.45 121.20 120.93 3hac s ILE 327 Ca 0.22 -1.20 0.03 0.00 0.00 0.00 0.00 60.65 59.69 3hac s ILE 327 Cb -0.12 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 3hac s ILE 327 CO 0.13 0.19 -0.19 0.00 0.00 0.00 0.00 174.94 175.07 3hac s ASP 329 N 0.11 5.19 0.03 0.00 1.11 -0.00 -1.39 116.67 121.72 3hac s ASP 329 Ca -0.09 0.10 -0.30 0.00 0.18 0.00 0.00 52.55 52.43 3hac s ASP 329 Cb -0.15 -1.43 -0.06 0.00 1.07 0.00 0.00 42.92 42.35 3hac s ASP 329 CO 0.06 0.35 1.36 -0.47 1.18 0.00 0.00 175.17 177.65 3hac s TYR 330 N -0.94 3.03 -0.44 4.23 5.04 -0.33 -1.33 117.35 126.60 3hac s TYR 330 Ca 0.15 0.93 -0.14 0.00 -2.44 0.00 0.00 57.07 55.57 3hac s TYR 330 Cb -0.11 -3.62 0.06 0.00 0.35 0.00 0.00 41.96 38.64 3hac s TYR 330 CO 0.05 -2.21 0.34 0.34 -1.34 0.00 0.00 175.55 172.73 3hac s ASP 331 N 1.58 6.02 0.45 4.32 3.68 0.12 -4.97 116.67 127.87 3hac s ASP 331 Ca 0.63 -1.26 0.13 0.00 2.13 0.00 0.00 52.55 54.18 3hac s ASP 331 Cb -0.32 -2.13 1.04 0.00 -1.45 0.00 0.00 42.92 40.06 3hac s ASP 331 CO 0.27 -0.57 2.04 -0.08 0.13 0.00 0.00 175.17 176.96 3hac h GLU 332 N 8.65 0.35 0.05 4.34 4.81 -1.94 0.18 114.58 131.02 3hac h GLU 332 Ca -0.27 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 58.71 3hac h GLU 332 Cb 1.11 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 3hac h GLU 332 CO 0.82 0.23 -1.05 0.66 -0.73 0.00 0.00 179.01 178.94 3hac h SER 333 N 0.36 0.23 0.00 1.04 4.64 -1.96 -3.33 113.55 114.52 3hac h SER 333 Ca 0.19 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3hac h SER 333 Cb 0.29 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3hac h SER 333 CO -0.04 1.13 -1.09 -1.54 -0.87 0.00 0.00 176.83 174.42 3hac n SER 334 N -3.51 0.84 -0.31 4.97 3.41 -1.00 -4.97 113.62 113.05 3hac n SER 334 Ca -0.04 -0.66 -0.04 0.00 -0.26 0.00 0.00 58.87 57.87 3hac n SER 334 Cb 0.93 1.22 -0.02 0.00 -0.26 0.00 0.00 64.21 66.08 3hac n SER 334 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hac n GLY 335 N 1.43 0.54 3.95 5.00 0.00 0.61 -4.99 105.19 111.73 3hac n GLY 335 Ca 0.01 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 3hac n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hac s ARG 336 N -1.85 2.59 -0.19 1.61 1.81 -1.17 -4.89 118.95 116.87 3hac s ARG 336 Ca 0.00 -1.48 -0.01 0.00 -1.72 0.00 0.00 55.73 52.53 3hac s ARG 336 Cb 0.00 -2.54 0.01 0.00 -0.45 0.00 0.00 34.95 31.97 3hac s ARG 336 CO 0.00 -0.34 -0.14 -1.58 -0.68 0.00 0.00 175.30 172.55 3hac s TRP 337 N -2.48 2.83 -0.07 -0.53 0.52 -1.26 0.11 118.94 118.07 3hac s TRP 337 Ca 0.51 -1.30 0.05 0.00 0.02 0.00 0.00 56.10 55.39 3hac s TRP 337 Cb -0.06 -1.97 -0.01 0.00 -1.15 0.00 0.00 33.47 30.28 3hac s TRP 337 CO 0.31 -0.65 -0.22 -0.80 0.02 0.00 0.00 176.95 175.60 3hac s ASN 338 N 1.24 3.34 -0.39 2.95 0.02 -0.44 -4.89 114.94 116.76 3hac s ASN 338 Ca 0.03 -0.44 -0.03 0.00 -1.02 0.00 0.00 52.86 51.40 3hac s ASN 338 Cb -0.14 -0.95 0.10 0.00 0.02 0.00 0.00 41.25 40.28 3hac s ASN 338 CO -0.07 0.25 0.18 0.00 0.02 0.00 0.00 177.10 177.48 3hac s LEU 340 N 1.18 4.38 0.46 0.00 1.43 -1.25 -4.90 118.68 119.98 3hac s LEU 340 Ca 0.06 2.56 0.16 0.00 -1.03 0.00 0.00 54.13 55.88 3hac s LEU 340 Cb -0.22 -3.60 1.08 0.00 0.03 0.00 0.00 46.19 43.47 3hac s LEU 340 CO -0.03 -0.73 2.02 0.58 0.23 0.00 0.00 176.35 178.41 3hac h VAL 341 N 3.89 1.06 0.00 -1.59 2.07 -1.97 0.47 116.25 120.19 3hac h VAL 341 Ca -0.44 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3hac h VAL 341 Cb 1.21 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3hac h VAL 341 CO 0.85 0.16 0.00 0.00 0.02 0.00 0.00 177.57 178.60 3hac n ALA 342 N -2.49 1.08 -0.03 1.67 0.00 -1.26 -1.70 120.51 117.78 3hac n ALA 342 Ca -0.02 0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.57 3hac n ALA 342 Cb 0.23 -1.20 0.12 0.00 0.00 0.00 0.00 19.45 18.60 3hac n ALA 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hac n ARG 343 N -1.94 2.34 -3.25 0.00 1.74 0.15 -4.28 116.66 111.43 3hac n ARG 343 Ca -0.01 -1.80 -0.38 0.00 -0.77 0.00 0.00 57.85 54.89 3hac n ARG 343 Cb 0.04 -1.23 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 3hac n ARG 343 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3hac s GLN 344 N -0.96 4.32 -0.12 5.56 0.74 -0.69 -4.00 119.66 124.52 3hac s GLN 344 Ca 0.19 0.61 0.03 0.00 0.05 0.00 0.00 55.36 56.24 3hac s GLN 344 Cb 0.10 -3.40 0.00 0.00 1.10 0.00 0.00 33.01 30.82 3hac s GLN 344 CO 0.14 0.24 -0.22 -1.01 -0.55 0.00 0.00 175.29 173.89 3hac s HIS 345 N 0.30 2.62 -0.10 1.67 3.76 0.09 -4.96 115.29 118.68 3hac s HIS 345 Ca 0.29 -1.10 -0.09 0.00 -0.15 0.00 0.00 55.06 54.01 3hac s HIS 345 Cb -0.17 -1.76 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 3hac s HIS 345 CO 0.14 -0.46 0.21 0.42 -0.85 0.00 0.00 174.74 174.20 3hac s ILE 346 N 0.50 5.38 -0.11 0.60 -1.09 -1.26 -0.03 121.20 125.19 3hac s ILE 346 Ca -0.14 0.37 -0.02 0.00 -2.23 0.00 0.00 60.65 58.63 3hac s ILE 346 Cb -0.17 -3.49 0.04 0.00 -1.58 0.00 0.00 42.46 37.26 3hac s ILE 346 CO 0.05 0.59 0.01 -0.70 -1.23 0.00 0.00 174.94 173.66 3hac s GLU 347 N -0.89 0.64 0.14 2.79 2.12 -0.15 -5.00 118.70 118.35 3hac s GLU 347 Ca 0.17 -0.04 0.04 0.00 0.36 0.00 0.00 54.97 55.50 3hac s GLU 347 Cb -0.13 -1.29 -0.04 0.00 0.26 0.00 0.00 34.13 32.92 3hac s GLU 347 CO 0.06 -0.39 -0.08 0.00 -0.54 0.00 0.00 175.26 174.30 3hac s MET 348 N 1.94 1.03 -0.04 4.30 0.23 -1.26 -0.39 119.30 125.10 3hac s MET 348 Ca 0.03 -1.44 0.04 0.00 -1.03 0.00 0.00 55.69 53.30 3hac s MET 348 Cb -0.13 -0.51 -0.00 0.00 -1.53 0.00 0.00 34.83 32.65 3hac s MET 348 CO -0.06 0.03 -0.17 0.45 -2.03 0.00 0.00 175.02 173.25 3hac s SER 349 N -3.15 2.12 0.14 -1.18 0.15 -0.79 -4.99 113.70 106.00 3hac s SER 349 Ca 0.17 -0.35 0.22 0.00 0.70 0.00 0.00 55.95 56.69 3hac s SER 349 Cb 0.04 -0.62 -0.09 0.00 -1.71 0.00 0.00 66.02 63.64 3hac s SER 349 CO -0.00 0.14 0.89 0.35 1.20 0.00 0.00 173.24 175.82 3hac n THR 350 N 3.19 0.48 -0.03 6.45 -2.24 -1.26 -4.42 114.28 116.45 3hac n THR 350 Ca -0.18 -0.54 0.04 0.00 -2.27 0.00 0.00 64.05 61.09 3hac n THR 350 Cb 0.53 -0.26 -0.14 0.00 -2.10 0.00 0.00 70.33 68.36 3hac n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hac n THR 351 N -2.58 0.36 -0.21 4.28 -2.24 -1.26 -5.07 114.28 107.56 3hac n THR 351 Ca -0.01 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3hac n THR 351 Cb 0.56 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3hac n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hac n GLY 352 N 1.59 3.79 4.00 3.38 0.00 -1.26 -4.83 105.19 111.86 3hac n GLY 352 Ca -0.11 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 3hac n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hac s TRP 353 N -0.06 2.09 -0.18 1.61 -2.14 -1.26 -4.59 118.94 114.39 3hac s TRP 353 Ca 0.00 -0.30 -0.17 0.00 2.66 0.00 0.00 56.10 58.28 3hac s TRP 353 Cb 0.00 -2.68 -0.04 0.00 -3.10 0.00 0.00 33.47 27.65 3hac s TRP 353 CO 0.00 -1.18 0.47 0.08 -2.66 0.00 0.00 176.95 173.66 3hac s VAL 354 N -2.83 5.16 0.00 -0.66 1.01 -0.34 -4.69 120.40 118.04 3hac s VAL 354 Ca 0.61 0.87 0.00 0.00 0.00 0.00 0.00 61.98 63.46 3hac s VAL 354 Cb -0.07 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3hac s VAL 354 CO 0.40 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.34 3hac n GLY 355 N 3.77 -0.89 0.19 4.51 0.00 -1.26 -3.47 105.19 108.04 3hac n GLY 355 Ca -0.06 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 3hac n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hac h ARG 356 N 0.00 -0.37 0.00 1.61 3.08 -1.95 -3.41 114.38 113.35 3hac h ARG 356 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3hac h ARG 356 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3hac h ARG 356 CO 0.00 -0.02 -0.07 1.19 -1.07 0.00 0.00 179.97 180.00 3hac n PHE 357 N -5.06 0.00 -3.54 3.04 3.72 -1.26 -4.88 117.46 109.47 3hac n PHE 357 Ca -0.09 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.24 3hac n PHE 357 Cb 0.26 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.78 3hac n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3hac s ARG 358 N -0.82 0.62 0.46 -1.08 1.70 -1.26 -4.98 118.95 113.59 3hac s ARG 358 Ca 0.00 -0.21 -0.24 0.00 -0.47 0.00 0.00 55.73 54.81 3hac s ARG 358 Cb 0.00 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.58 3hac s ARG 358 CO 0.00 -0.27 1.17 -2.30 -1.08 0.00 0.00 175.30 172.82 3hac n PRO 359 N -0.13 1.62 -1.60 3.89 -0.02 -1.23 -4.25 135.00 133.27 3hac n PRO 359 Ca -0.05 0.58 -0.32 0.00 -2.02 0.00 0.00 63.50 61.68 3hac n PRO 359 Cb 0.60 -2.28 0.06 0.00 -0.02 0.00 0.00 33.50 31.86 3hac n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3hac s SER 360 N -0.72 4.92 0.27 2.55 1.04 -1.26 -4.95 113.70 115.55 3hac s SER 360 Ca 0.65 1.94 -0.22 0.00 0.48 0.00 0.00 55.95 58.80 3hac s SER 360 Cb -0.50 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 62.99 3hac s SER 360 CO 0.55 -1.75 0.81 -1.83 0.98 0.00 0.00 173.24 172.00 3hac s GLU 361 N -4.35 4.37 0.43 4.02 1.03 -1.26 -4.94 118.70 118.00 3hac s GLU 361 Ca 0.65 1.03 -0.17 0.00 0.03 0.00 0.00 54.97 56.52 3hac s GLU 361 Cb -0.19 -2.83 -0.09 0.00 -0.80 0.00 0.00 34.13 30.22 3hac s GLU 361 CO 0.46 0.34 0.88 -1.25 -1.33 0.00 0.00 175.26 174.36 3hac s PRO 362 N -2.05 4.02 -0.27 -4.83 0.04 -1.26 -4.59 135.00 126.06 3hac s PRO 362 Ca 0.46 0.86 0.03 0.00 0.04 0.00 0.00 61.00 62.39 3hac s PRO 362 Cb -0.17 -2.26 0.07 0.00 0.04 0.00 0.00 34.50 32.18 3hac s PRO 362 CO 0.22 -0.06 -0.05 -1.01 0.04 0.00 0.00 177.00 176.13 3hac s HIS 363 N -2.30 3.11 0.21 0.56 3.76 0.23 -4.95 115.29 115.91 3hac s HIS 363 Ca 0.57 -2.33 -0.28 0.00 -0.15 0.00 0.00 55.06 52.88 3hac s HIS 363 Cb -0.10 -2.07 -0.09 0.00 1.11 0.00 0.00 32.58 31.44 3hac s HIS 363 CO 0.23 -0.87 0.88 -0.06 -0.85 0.00 0.00 174.74 174.07 3hac s PHE 364 N 1.15 3.96 0.86 1.40 0.40 -1.26 -0.99 117.98 123.49 3hac s PHE 364 Ca -0.03 1.82 -0.10 0.00 -0.60 0.00 0.00 56.93 58.02 3hac s PHE 364 Cb -0.19 -2.91 0.11 0.00 0.51 0.00 0.00 43.02 40.54 3hac s PHE 364 CO -0.07 0.47 1.12 0.95 0.70 0.00 0.00 175.22 178.39 3hac s THR 365 N -1.15 2.65 0.20 0.64 -4.23 -0.53 -4.88 115.64 108.35 3hac s THR 365 Ca 0.39 0.21 -0.11 0.00 -1.18 0.00 0.00 61.69 61.01 3hac s THR 365 Cb -0.25 -2.47 0.14 0.00 1.34 0.00 0.00 72.50 71.26 3hac s THR 365 CO 0.30 -0.28 1.72 0.25 -0.54 0.00 0.00 174.62 176.08 3hac h LEU 366 N -1.55 0.10 0.00 4.79 5.85 -1.92 0.73 115.31 123.31 3hac h LEU 366 Ca -0.44 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3hac h LEU 366 Cb 1.25 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3hac h LEU 366 CO 0.47 0.07 0.00 -0.90 -0.34 0.00 0.00 178.44 177.74 3hac n ASP 367 N -5.07 0.00 -0.16 1.25 5.68 -1.26 -4.87 116.55 112.12 3hac n ASP 367 Ca 0.08 0.24 -0.02 0.00 -0.50 0.00 0.00 54.79 54.59 3hac n ASP 367 Cb 0.28 -0.35 -0.01 0.00 -1.14 0.00 0.00 41.12 39.90 3hac n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hac n GLY 368 N -0.32 0.38 0.19 6.12 0.00 0.25 -4.87 105.19 106.94 3hac n GLY 368 Ca 0.05 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.13 3hac n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hac n ASN 369 N -0.57 0.95 -3.67 1.61 3.02 -1.26 -4.89 115.26 110.46 3hac n ASN 369 Ca -0.02 -0.77 -0.10 0.00 -0.03 0.00 0.00 54.58 53.65 3hac n ASN 369 Cb 0.34 0.21 -0.05 0.00 -0.61 0.00 0.00 39.78 39.68 3hac n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hac s SER 370 N -2.64 -0.22 0.14 6.41 1.04 -1.26 -1.71 113.70 115.47 3hac s SER 370 Ca 0.20 -0.38 -0.13 0.00 0.48 0.00 0.00 55.95 56.13 3hac s SER 370 Cb 0.19 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.80 3hac s SER 370 CO 0.58 -0.88 0.35 0.72 0.98 0.00 0.00 173.24 174.98 3hac s PHE 371 N -3.82 0.04 -0.02 5.02 -0.12 -0.20 -1.45 117.98 117.43 3hac s PHE 371 Ca 0.05 -0.40 0.05 0.00 -0.05 0.00 0.00 56.93 56.57 3hac s PHE 371 Cb 0.02 0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.51 3hac s PHE 371 CO -0.10 -0.71 -0.15 0.71 -0.05 0.00 0.00 175.22 174.92 3hac s TYR 372 N -3.87 2.67 -0.12 3.49 1.51 -0.16 -0.40 117.35 120.46 3hac s TYR 372 Ca 0.08 -0.18 -0.11 0.00 -1.01 0.00 0.00 57.07 55.85 3hac s TYR 372 Cb 0.02 -1.57 0.03 0.00 -0.11 0.00 0.00 41.96 40.33 3hac s TYR 372 CO -0.07 0.22 0.32 0.21 -1.11 0.00 0.00 175.55 175.11 3hac s LYS 373 N -1.01 0.36 -0.14 -0.62 2.20 -0.33 -0.61 119.74 119.61 3hac s LYS 373 Ca 0.13 0.46 -0.29 0.00 -0.36 0.00 0.00 55.97 55.91 3hac s LYS 373 Cb -0.11 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.36 3hac s LYS 373 CO 0.03 -0.06 1.04 0.42 -0.36 0.00 0.00 175.35 176.42 3hac s ILE 374 N 0.29 4.70 0.06 5.43 1.01 -1.26 -0.76 121.20 130.66 3hac s ILE 374 Ca -0.01 1.99 -0.03 0.00 0.00 0.00 0.00 60.65 62.59 3hac s ILE 374 Cb -0.03 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 3hac s ILE 374 CO -0.01 -0.05 0.04 0.27 0.00 0.00 0.00 174.94 175.19 3hac s ILE 375 N 2.39 0.19 -0.09 2.92 -4.36 -0.31 -4.59 121.20 117.35 3hac s ILE 375 Ca 0.48 -1.57 -0.30 0.00 -0.26 0.00 0.00 60.65 59.00 3hac s ILE 375 Cb -0.18 -1.40 -0.02 0.00 1.25 0.00 0.00 42.46 42.11 3hac s ILE 375 CO 0.15 -0.87 1.18 -0.55 0.24 0.00 0.00 174.94 175.09 3hac s SER 376 N -2.81 7.06 1.02 4.36 0.15 -1.26 -1.20 113.70 121.03 3hac s SER 376 Ca 0.05 1.73 -0.15 0.00 0.70 0.00 0.00 55.95 58.28 3hac s SER 376 Cb 0.06 -2.55 0.20 0.00 -1.71 0.00 0.00 66.02 62.02 3hac s SER 376 CO -0.10 -0.60 1.14 -0.46 1.20 0.00 0.00 173.24 174.42 3hac n ASN 377 N 5.46 -0.14 0.22 5.45 0.23 0.32 -4.86 115.26 121.95 3hac n ASN 377 Ca 0.11 -1.38 0.16 0.00 -0.53 0.00 0.00 54.58 52.94 3hac n ASN 377 Cb 0.46 -0.89 0.83 0.00 -2.08 0.00 0.00 39.78 38.11 3hac n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3hac h GLU 378 N 0.00 0.00 -0.20 -3.83 5.08 -1.96 0.00 114.58 113.68 3hac h GLU 378 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3hac h GLU 378 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3hac h GLU 378 CO 0.26 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.66 3hac n GLU 379 N -3.90 1.98 -0.76 2.33 -0.58 -1.26 -4.94 120.64 113.51 3hac n GLU 379 Ca 0.00 -1.46 0.00 0.00 -0.42 0.00 0.00 57.16 55.28 3hac n GLU 379 Cb 0.26 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 3hac n GLU 379 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hac n GLY 380 N 1.25 0.60 3.73 0.62 0.00 -0.01 -4.74 105.19 106.65 3hac n GLY 380 Ca 0.17 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3hac n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hac s TYR 381 N -2.00 3.36 -0.20 1.61 1.51 -1.26 -0.08 117.35 120.29 3hac s TYR 381 Ca 0.00 0.27 -0.29 0.00 -1.01 0.00 0.00 57.07 56.04 3hac s TYR 381 Cb 0.00 -1.98 0.00 0.00 -0.11 0.00 0.00 41.96 39.87 3hac s TYR 381 CO 0.00 0.42 1.07 1.03 -1.11 0.00 0.00 175.55 176.96 3hac s ARG 382 N -0.33 4.28 0.15 -0.62 0.52 -1.26 -0.53 118.95 121.16 3hac s ARG 382 Ca 0.09 1.41 -0.03 0.00 -0.52 0.00 0.00 55.73 56.69 3hac s ARG 382 Cb -0.12 -3.64 -0.03 0.00 0.52 0.00 0.00 34.95 31.68 3hac s ARG 382 CO 0.01 -0.60 0.12 -1.01 0.02 0.00 0.00 175.30 173.85 3hac s HIS 383 N 3.07 0.78 -0.12 -0.53 3.76 -0.34 -0.88 115.29 121.03 3hac s HIS 383 Ca 0.46 -1.14 -0.25 0.00 -0.15 0.00 0.00 55.06 53.98 3hac s HIS 383 Cb -0.17 -0.39 -0.02 0.00 1.11 0.00 0.00 32.58 33.12 3hac s HIS 383 CO 0.09 -0.58 0.81 0.42 -0.85 0.00 0.00 174.74 174.63 3hac s ILE 384 N -4.04 4.93 -0.06 0.60 1.01 -1.26 -1.16 121.20 121.21 3hac s ILE 384 Ca 0.24 1.63 0.03 0.00 0.00 0.00 0.00 60.65 62.55 3hac s ILE 384 Cb 0.06 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 3hac s ILE 384 CO 0.02 0.11 -0.12 0.00 0.00 0.00 0.00 174.94 174.95 3hac s TYR 386 N -0.66 3.11 -0.05 0.00 5.04 0.10 -1.18 117.35 123.71 3hac s TYR 386 Ca 0.10 -0.27 0.04 0.00 -2.44 0.00 0.00 57.07 54.50 3hac s TYR 386 Cb -0.11 -2.13 -0.02 0.00 0.35 0.00 0.00 41.96 40.05 3hac s TYR 386 CO 0.01 -0.15 -0.16 -0.06 -1.34 0.00 0.00 175.55 173.85 3hac s PHE 387 N 0.99 2.66 0.13 4.97 0.08 0.46 -0.89 117.98 126.39 3hac s PHE 387 Ca 0.03 -0.24 -0.19 0.00 0.12 0.00 0.00 56.93 56.65 3hac s PHE 387 Cb -0.14 -1.63 -0.07 0.00 -0.57 0.00 0.00 43.02 40.61 3hac s PHE 387 CO 0.02 0.12 0.62 -0.65 -0.10 0.00 0.00 175.22 175.24 3hac s GLN 388 N -0.62 4.21 0.54 0.44 -1.52 -1.26 -1.04 119.66 120.41 3hac s GLN 388 Ca 0.09 0.77 0.27 0.00 -1.95 0.00 0.00 55.36 54.54 3hac s GLN 388 Cb -0.11 -3.10 1.56 0.00 -0.22 0.00 0.00 33.01 31.14 3hac s GLN 388 CO 0.01 0.55 2.14 -0.84 -0.25 0.00 0.00 175.29 176.89 3hac h ILE 389 N 3.19 0.59 -0.23 1.08 3.07 -1.67 -2.56 117.51 120.98 3hac h ILE 389 Ca -0.49 -0.34 -0.09 0.00 1.55 0.00 0.00 64.86 65.49 3hac h ILE 389 Cb 1.20 1.22 -0.06 0.00 -0.27 0.00 0.00 36.82 38.91 3hac h ILE 389 CO 0.65 0.08 -0.14 -0.90 -1.05 0.00 0.00 178.15 176.78 3hac n ASP 390 N -3.76 2.52 -4.00 2.16 3.85 -1.26 -4.21 116.55 111.85 3hac n ASP 390 Ca -0.02 -3.61 -0.22 0.00 -0.71 0.00 0.00 54.79 50.23 3hac n ASP 390 Cb 0.18 -0.58 -0.16 0.00 -1.35 0.00 0.00 41.12 39.21 3hac n ASP 390 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3hac s LYS 391 N -3.14 1.23 0.12 0.11 1.02 -0.97 -4.87 119.74 113.25 3hac s LYS 391 Ca 0.41 -0.32 0.07 0.00 0.02 0.00 0.00 55.97 56.15 3hac s LYS 391 Cb 0.37 -1.09 -0.20 0.00 -0.52 0.00 0.00 37.83 36.39 3hac s LYS 391 CO 0.00 0.06 1.28 0.87 -0.92 0.00 0.00 175.35 176.64 3hac h LYS 392 N 6.71 0.00 -5.81 1.68 1.79 -1.89 -3.41 116.57 115.64 3hac h LYS 392 Ca -0.34 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.56 3hac h LYS 392 Cb 1.17 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.75 3hac h LYS 392 CO 0.48 0.99 0.08 -0.51 -1.08 0.00 0.00 179.45 179.40 3hac s ASP 393 N -6.70 6.80 0.42 0.86 -0.00 -1.26 -4.98 116.67 111.81 3hac s ASP 393 Ca 0.01 0.97 0.05 0.00 -0.00 0.00 0.00 52.55 53.58 3hac s ASP 393 Cb 0.10 -2.36 0.01 0.00 -0.00 0.00 0.00 42.92 40.66 3hac s ASP 393 CO 0.82 -0.18 0.60 0.00 -0.00 0.00 0.00 175.17 176.41 3hac s THR 395 N -2.41 3.03 0.05 0.00 2.01 -0.06 -4.88 115.64 113.37 3hac s THR 395 Ca 0.51 -0.62 -0.31 0.00 0.31 0.00 0.00 61.69 61.58 3hac s THR 395 Cb -0.10 -2.34 -0.06 0.00 0.01 0.00 0.00 72.50 70.01 3hac s THR 395 CO 0.34 0.47 1.36 -0.36 -0.69 0.00 0.00 174.62 175.74 3hac s PHE 396 N 1.18 3.09 -0.53 4.92 0.08 -1.26 0.01 117.98 125.47 3hac s PHE 396 Ca 0.02 0.95 0.18 0.00 0.12 0.00 0.00 56.93 58.20 3hac s PHE 396 Cb -0.14 -3.62 -0.23 0.00 -0.57 0.00 0.00 43.02 38.46 3hac s PHE 396 CO -0.03 -2.20 0.62 0.44 -0.10 0.00 0.00 175.22 173.94 3hac n ILE 397 N 4.30 0.00 -4.32 0.64 -5.35 0.46 -4.94 119.36 110.15 3hac n ILE 397 Ca 0.12 -0.21 -0.20 0.00 -0.27 0.00 0.00 62.75 62.19 3hac n ILE 397 Cb 0.44 0.65 -0.11 0.00 -1.74 0.00 0.00 39.64 38.88 3hac n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3hac s THR 398 N -2.89 1.70 0.24 7.28 -4.23 -1.23 -4.96 115.64 111.54 3hac s THR 398 Ca 0.02 -1.97 -0.21 0.00 -1.18 0.00 0.00 61.69 58.35 3hac s THR 398 Cb 0.13 -1.84 0.03 0.00 1.34 0.00 0.00 72.50 72.16 3hac s THR 398 CO 0.74 -0.42 0.66 -1.59 -0.54 0.00 0.00 174.62 173.46 3hac s LYS 399 N -3.03 1.60 0.00 3.99 -2.85 -1.26 -4.51 119.74 113.67 3hac s LYS 399 Ca 0.16 -0.84 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 3hac s LYS 399 Cb -0.04 0.59 0.00 0.00 -2.06 0.00 0.00 37.83 36.32 3hac s LYS 399 CO 0.06 -0.72 0.00 0.41 0.10 0.00 0.00 175.35 175.20 3hac n GLY 400 N -0.42 2.54 2.85 0.59 0.00 -1.26 -4.94 105.19 104.55 3hac n GLY 400 Ca -0.08 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 3hac n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hac n THR 401 N -1.66 4.73 -3.80 2.61 -2.24 -1.26 -4.79 114.28 107.88 3hac n THR 401 Ca 0.00 -4.81 -0.02 0.00 -2.27 0.00 0.00 64.05 56.95 3hac n THR 401 Cb 0.00 -2.24 0.00 0.00 -2.10 0.00 0.00 70.33 66.00 3hac n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3hac s TRP 402 N -0.69 -0.02 0.06 4.78 1.48 -1.26 -5.03 118.94 118.25 3hac s TRP 402 Ca 0.39 -0.26 0.04 0.00 -1.06 0.00 0.00 56.10 55.21 3hac s TRP 402 Cb 0.10 0.64 -0.03 0.00 -1.16 0.00 0.00 33.47 33.02 3hac s TRP 402 CO 0.02 -0.70 -0.13 -1.21 -4.06 0.00 0.00 176.95 170.87 3hac s GLU 403 N -2.59 0.79 0.00 3.25 2.02 -1.26 -4.53 118.70 116.38 3hac s GLU 403 Ca 0.18 -0.85 -0.30 0.00 0.02 0.00 0.00 54.97 54.02 3hac s GLU 403 Cb -0.00 -0.76 -0.04 0.00 0.10 0.00 0.00 34.13 33.43 3hac s GLU 403 CO 0.02 0.17 1.09 0.08 0.02 0.00 0.00 175.26 176.64 3hac s VAL 404 N -1.15 4.49 -0.13 2.63 1.01 -0.06 -2.51 120.40 124.67 3hac s VAL 404 Ca -0.02 1.78 -0.15 0.00 0.00 0.00 0.00 61.98 63.60 3hac s VAL 404 Cb -0.09 -4.14 -0.25 0.00 0.00 0.00 0.00 36.38 31.89 3hac s VAL 404 CO 0.02 0.10 0.43 0.40 0.00 0.00 0.00 175.10 176.05 3hac h ILE 405 N 4.76 0.89 -2.00 2.22 1.08 -0.90 -3.45 117.51 120.12 3hac h ILE 405 Ca -0.39 -2.34 -0.03 0.00 -0.39 0.00 0.00 64.86 61.71 3hac h ILE 405 Cb 1.20 2.56 -0.19 0.00 -3.07 0.00 0.00 36.82 37.32 3hac h ILE 405 CO 0.80 0.68 0.26 -0.83 -0.69 0.00 0.00 178.15 178.37 3hac s GLY 406 N -5.11 -0.53 -0.15 5.37 0.00 -1.17 -5.00 107.32 100.74 3hac s GLY 406 Ca -0.22 1.38 -0.20 0.00 0.00 0.00 0.00 44.72 45.67 3hac s GLY 406 CO 0.73 0.91 0.59 -0.42 0.00 0.00 0.00 173.10 174.90 3hac s ILE 407 N -1.39 5.08 -0.20 0.90 1.01 -1.26 -0.96 121.20 124.39 3hac s ILE 407 Ca -0.08 1.15 0.07 0.00 0.00 0.00 0.00 60.65 61.78 3hac s ILE 407 Cb -0.00 -3.92 -0.17 0.00 0.01 0.00 0.00 42.46 38.38 3hac s ILE 407 CO 0.07 0.20 -0.10 -0.62 0.00 0.00 0.00 174.94 174.49 3hac n GLU 408 N 4.40 0.80 -3.47 2.79 -0.58 0.12 -4.97 120.64 119.73 3hac n GLU 408 Ca -0.03 0.07 -0.14 0.00 -0.42 0.00 0.00 57.16 56.64 3hac n GLU 408 Cb 0.51 -1.44 -0.04 0.00 -0.57 0.00 0.00 31.44 29.90 3hac n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hac s ALA 409 N -2.43 -1.64 -0.05 0.62 0.00 -1.06 -4.91 121.76 112.30 3hac s ALA 409 Ca -0.21 0.77 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 3hac s ALA 409 Cb 0.07 0.56 0.03 0.00 0.00 0.00 0.00 23.12 23.78 3hac s ALA 409 CO 0.59 -0.62 0.08 -1.17 0.00 0.00 0.00 175.76 174.64 3hac s LEU 410 N -2.17 0.43 0.48 0.00 2.96 -1.26 -0.71 118.68 118.41 3hac s LEU 410 Ca -0.03 0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.07 3hac s LEU 410 Cb -0.01 0.03 -0.02 0.00 0.50 0.00 0.00 46.19 46.70 3hac s LEU 410 CO -0.05 -0.20 0.13 0.42 -1.32 0.00 0.00 176.35 175.33 3hac s THR 411 N 1.75 1.64 0.61 3.68 -4.23 -0.08 -5.02 115.64 113.99 3hac s THR 411 Ca -0.01 -1.82 0.31 0.00 -1.18 0.00 0.00 61.69 58.99 3hac s THR 411 Cb -0.12 -2.46 0.37 0.00 1.34 0.00 0.00 72.50 71.63 3hac s THR 411 CO -0.04 0.00 2.13 0.77 -0.54 0.00 0.00 174.62 176.94 3hac h SER 412 N 1.29 0.00 0.00 3.99 4.64 -2.01 -3.24 113.55 118.23 3hac h SER 412 Ca -0.42 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 3hac h SER 412 Cb 1.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3hac h SER 412 CO 0.71 0.00 -1.28 0.47 -0.87 0.00 0.00 176.83 175.85 3hac n ASP 413 N -3.57 3.73 -3.92 4.97 8.00 -1.26 -4.92 116.55 119.58 3hac n ASP 413 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.40 3hac n ASP 413 Cb 0.28 1.09 -0.12 0.00 -0.02 0.00 0.00 41.12 42.35 3hac n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hac s TYR 414 N -2.32 0.12 -0.12 1.24 1.51 -1.22 -1.54 117.35 115.02 3hac s TYR 414 Ca -0.02 -0.25 -0.02 0.00 -1.01 0.00 0.00 57.07 55.77 3hac s TYR 414 Cb 0.03 -0.09 -0.03 0.00 -0.11 0.00 0.00 41.96 41.76 3hac s TYR 414 CO 0.23 -0.10 -0.06 -1.17 -1.11 0.00 0.00 175.55 173.33 3hac s LEU 415 N -0.74 3.14 -0.13 -1.29 0.20 -0.64 -0.90 118.68 118.32 3hac s LEU 415 Ca -0.08 -0.12 -0.01 0.00 0.69 0.00 0.00 54.13 54.61 3hac s LEU 415 Cb -0.05 -1.72 -0.02 0.00 -0.43 0.00 0.00 46.19 43.96 3hac s LEU 415 CO -0.00 0.24 -0.09 -0.31 -0.29 0.00 0.00 176.35 175.90 3hac s TYR 416 N -0.06 2.90 0.08 5.38 1.51 0.11 -0.56 117.35 126.71 3hac s TYR 416 Ca 0.01 -0.41 -0.08 0.00 -1.01 0.00 0.00 57.07 55.58 3hac s TYR 416 Cb -0.13 -1.86 -0.00 0.00 -0.11 0.00 0.00 41.96 39.85 3hac s TYR 416 CO 0.03 -0.06 0.17 1.52 -1.11 0.00 0.00 175.55 176.10 3hac s TYR 417 N 0.16 0.17 -0.12 2.71 -0.85 -0.56 0.16 117.35 119.03 3hac s TYR 417 Ca -0.05 -0.61 -0.04 0.00 -0.52 0.00 0.00 57.07 55.85 3hac s TYR 417 Cb -0.14 -0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.08 3hac s TYR 417 CO 0.04 -0.53 0.04 0.42 -1.52 0.00 0.00 175.55 173.99 3hac s ILE 418 N -3.84 4.59 0.24 -3.49 -1.09 -0.13 -0.58 121.20 116.89 3hac s ILE 418 Ca 0.05 -0.13 -0.04 0.00 -2.23 0.00 0.00 60.65 58.30 3hac s ILE 418 Cb 0.05 -2.98 -0.02 0.00 -1.58 0.00 0.00 42.46 37.93 3hac s ILE 418 CO -0.11 0.57 0.28 -0.94 -1.23 0.00 0.00 174.94 173.51 3hac s SER 419 N -0.54 0.32 -0.37 3.58 1.04 -0.64 -0.18 113.70 116.90 3hac s SER 419 Ca 0.10 -1.31 0.08 0.00 0.48 0.00 0.00 55.95 55.29 3hac s SER 419 Cb -0.12 0.48 0.67 0.00 0.10 0.00 0.00 66.02 67.15 3hac s SER 419 CO 0.02 -0.99 1.79 -0.46 0.98 0.00 0.00 173.24 174.58 3hac n ASN 420 N -0.55 3.98 -0.30 7.02 0.23 -1.04 -1.39 115.26 123.21 3hac n ASN 420 Ca 0.01 -3.46 -0.05 0.00 -0.53 0.00 0.00 54.58 50.55 3hac n ASN 420 Cb 0.64 -0.76 0.07 0.00 -2.08 0.00 0.00 39.78 37.65 3hac n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3hac h GLU 421 N 1.67 1.12 -6.39 -3.83 4.81 -1.85 -3.32 114.58 106.79 3hac h GLU 421 Ca 0.41 -0.12 -0.58 0.00 -0.13 0.00 0.00 59.36 58.93 3hac h GLU 421 Cb 2.43 -0.22 0.03 0.00 0.63 0.00 0.00 28.75 31.62 3hac h GLU 421 CO 0.82 0.82 1.04 0.98 -0.73 0.00 0.00 179.01 181.94 3hac n TYR 422 N -4.42 2.40 -1.51 0.92 9.36 -1.26 -1.46 117.16 121.19 3hac n TYR 422 Ca 0.08 -0.01 -0.17 0.00 3.32 0.00 0.00 57.90 61.12 3hac n TYR 422 Cb 0.09 -2.66 -0.07 0.00 -0.63 0.00 0.00 39.34 36.06 3hac n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3hac n LYS 423 N 5.71 -1.52 -3.11 2.98 5.02 -1.26 -2.54 118.16 123.44 3hac n LYS 423 Ca 0.20 1.11 -0.23 0.00 -2.02 0.00 0.00 58.31 57.38 3hac n LYS 423 Cb 0.32 -5.51 0.03 0.00 -0.02 0.00 0.00 35.03 29.85 3hac n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hac n GLY 424 N -0.22 -0.52 3.27 0.72 0.00 -0.53 -4.97 105.19 102.95 3hac n GLY 424 Ca -0.17 0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 3hac n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hac s MET 425 N -5.79 2.60 0.56 1.61 -1.94 -1.05 -4.95 119.30 110.33 3hac s MET 425 Ca 0.33 -1.39 0.37 0.00 -1.71 0.00 0.00 55.69 53.29 3hac s MET 425 Cb -0.15 -3.71 1.74 0.00 2.01 0.00 0.00 34.83 34.72 3hac s MET 425 CO 0.41 -0.88 2.09 -1.00 -0.01 0.00 0.00 175.02 175.63 3hac h PRO 426 N 8.36 0.00 -0.53 2.03 0.14 -1.89 -2.06 132.00 138.04 3hac h PRO 426 Ca -0.23 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.91 3hac h PRO 426 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.22 3hac h PRO 426 CO 0.72 0.00 0.00 0.41 0.14 0.00 0.00 178.00 179.27 3hac n GLY 427 N -0.46 1.67 3.86 1.56 0.00 -1.26 -4.87 105.19 105.69 3hac n GLY 427 Ca -0.01 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 3hac n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hac s GLY 428 N -1.13 1.40 -0.02 -0.02 0.00 -0.78 -2.41 107.32 104.36 3hac s GLY 428 Ca 0.39 -1.40 -0.00 0.00 0.00 0.00 0.00 44.72 43.71 3hac s GLY 428 CO 0.28 -1.42 0.04 0.50 0.00 0.00 0.00 173.10 172.50 3hac s ARG 429 N -3.89 -0.04 0.06 2.90 1.81 0.03 -4.12 118.95 115.69 3hac s ARG 429 Ca 0.34 0.21 0.01 0.00 -1.72 0.00 0.00 55.73 54.57 3hac s ARG 429 Cb -0.08 -0.26 -0.03 0.00 -0.45 0.00 0.00 34.95 34.13 3hac s ARG 429 CO 0.26 -0.18 -0.06 -0.80 -0.68 0.00 0.00 175.30 173.85 3hac s ASN 430 N 1.15 0.75 -0.07 0.23 0.01 -0.48 -0.93 114.94 115.60 3hac s ASN 430 Ca -0.08 -0.76 -0.16 0.00 -0.71 0.00 0.00 52.86 51.15 3hac s ASN 430 Cb -0.13 0.10 -0.05 0.00 0.41 0.00 0.00 41.25 41.58 3hac s ASN 430 CO -0.03 -0.38 0.42 -0.22 -1.51 0.00 0.00 177.10 175.38 3hac s LEU 431 N -2.25 4.36 0.18 0.60 2.96 -1.26 -1.63 118.68 121.64 3hac s LEU 431 Ca -0.01 0.83 0.06 0.00 -0.22 0.00 0.00 54.13 54.78 3hac s LEU 431 Cb -0.02 -2.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 3hac s LEU 431 CO -0.03 0.16 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.73 3hac s TYR 432 N -0.12 1.50 -0.07 5.38 1.51 0.25 -0.31 117.35 125.48 3hac s TYR 432 Ca 0.23 -0.68 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 3hac s TYR 432 Cb -0.15 -0.74 0.02 0.00 -0.11 0.00 0.00 41.96 40.98 3hac s TYR 432 CO 0.11 0.20 -0.05 0.21 -1.11 0.00 0.00 175.55 174.91 3hac s LYS 433 N -3.71 1.08 -0.10 -0.62 2.20 -0.01 -1.50 119.74 117.08 3hac s LYS 433 Ca 0.20 -0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.70 3hac s LYS 433 Cb 0.01 -1.15 -0.01 0.00 -1.51 0.00 0.00 37.83 35.16 3hac s LYS 433 CO 0.04 -0.18 -0.16 -1.50 -0.36 0.00 0.00 175.35 173.19 3hac s ILE 434 N 1.38 2.78 -0.16 5.43 2.07 0.27 -0.86 121.20 132.12 3hac s ILE 434 Ca -0.03 -0.78 -0.29 0.00 -1.41 0.00 0.00 60.65 58.14 3hac s ILE 434 Cb -0.13 -2.12 -0.01 0.00 0.13 0.00 0.00 42.46 40.32 3hac s ILE 434 CO -0.03 0.55 1.22 -1.58 -1.91 0.00 0.00 174.94 173.19 3hac s GLN 435 N 0.08 4.25 0.33 3.50 0.74 -0.53 -1.62 119.66 126.41 3hac s GLN 435 Ca -0.07 1.62 0.12 0.00 0.05 0.00 0.00 55.36 57.08 3hac s GLN 435 Cb -0.15 -3.72 0.55 0.00 1.10 0.00 0.00 33.01 30.79 3hac s GLN 435 CO 0.05 -0.66 1.73 -0.07 -0.55 0.00 0.00 175.29 175.79 3hac h LEU 436 N 9.47 0.00 -0.12 3.68 3.38 -1.63 -1.60 115.31 128.49 3hac h LEU 436 Ca -0.27 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3hac h LEU 436 Cb 1.11 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3hac h LEU 436 CO 0.96 0.48 -0.09 -1.54 0.09 0.00 0.00 178.44 178.35 3hac n SER 437 N -3.96 0.27 -3.21 -0.43 3.41 -1.26 -4.63 113.62 103.80 3hac n SER 437 Ca -0.02 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 3hac n SER 437 Cb 0.50 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.27 3hac n SER 437 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hac s ASP 438 N -2.59 -1.34 0.38 4.04 -1.08 -0.61 -5.03 116.67 110.43 3hac s ASP 438 Ca 0.26 -0.60 0.27 0.00 -0.52 0.00 0.00 52.55 51.96 3hac s ASP 438 Cb 0.20 1.87 1.33 0.00 -1.46 0.00 0.00 42.92 44.86 3hac s ASP 438 CO 0.49 -0.21 1.81 1.88 0.52 0.00 0.00 175.17 179.66 3hac h TYR 439 N 7.26 0.00 0.00 -5.34 0.05 -1.80 -0.39 116.97 116.75 3hac h TYR 439 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3hac h TYR 439 Cb 1.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.91 3hac h TYR 439 CO 0.19 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.55 3hac n THR 440 N -2.44 0.72 -3.23 -2.88 -2.24 -1.26 -4.45 114.28 98.50 3hac n THR 440 Ca -0.01 0.07 -0.46 0.00 -2.27 0.00 0.00 64.05 61.38 3hac n THR 440 Cb 0.11 -0.93 -0.02 0.00 -2.10 0.00 0.00 70.33 67.38 3hac n THR 440 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hac s LYS 441 N -3.19 3.53 -0.15 -0.78 -0.14 -0.16 -4.99 119.74 113.86 3hac s LYS 441 Ca 0.07 -2.20 0.01 0.00 -1.36 0.00 0.00 55.97 52.49 3hac s LYS 441 Cb 0.11 -4.51 0.02 0.00 -1.68 0.00 0.00 37.83 31.77 3hac s LYS 441 CO 0.44 -1.41 -0.18 0.08 -0.76 0.00 0.00 175.35 173.53 3hac s VAL 442 N 0.92 1.81 -0.15 3.17 1.01 -1.26 -1.45 120.40 124.45 3hac s VAL 442 Ca 0.20 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 3hac s VAL 442 Cb -0.11 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3hac s VAL 442 CO -0.07 0.50 -0.08 -0.89 0.00 0.00 0.00 175.10 174.55 3hac s THR 443 N 1.25 3.44 -0.25 3.92 2.01 -0.04 -4.95 115.64 121.03 3hac s THR 443 Ca 0.02 -0.52 -0.29 0.00 0.31 0.00 0.00 61.69 61.21 3hac s THR 443 Cb -0.14 -2.49 0.01 0.00 0.01 0.00 0.00 72.50 69.90 3hac s THR 443 CO -0.09 0.50 1.05 0.00 -0.69 0.00 0.00 174.62 175.39 3hac h LEU 445 N 9.57 0.00 0.00 0.00 3.38 -1.01 -3.40 115.31 123.84 3hac h LEU 445 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3hac h LEU 445 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3hac h LEU 445 CO 0.99 0.01 -0.76 -1.54 0.09 0.00 0.00 178.44 177.23 3hac n SER 446 N -2.86 3.80 -0.26 -0.43 3.41 -1.21 -4.82 113.62 111.27 3hac n SER 446 Ca 0.02 -0.04 0.06 0.00 -0.26 0.00 0.00 58.87 58.65 3hac n SER 446 Cb 0.55 0.85 0.19 0.00 -0.26 0.00 0.00 64.21 65.53 3hac n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hac n GLU 448 N -5.20 2.42 0.21 0.00 -0.58 -1.26 -4.24 120.64 111.99 3hac n GLU 448 Ca 0.15 -2.16 -0.15 0.00 -0.42 0.00 0.00 57.16 54.58 3hac n GLU 448 Cb 0.49 -1.41 -0.08 0.00 -0.57 0.00 0.00 31.44 29.87 3hac n GLU 448 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3hac h LEU 449 N 3.36 -0.47 -5.87 -4.62 3.38 -1.78 -3.39 115.31 105.92 3hac h LEU 449 Ca 0.00 0.02 -0.41 0.00 0.09 0.00 0.00 57.88 57.58 3hac h LEU 449 Cb 0.84 0.13 -0.29 0.00 0.09 0.00 0.00 40.66 41.43 3hac h LEU 449 CO 0.00 -0.31 -0.78 0.20 0.09 0.00 0.00 178.44 177.64 3hac s ASN 450 N -4.76 0.35 0.54 -0.43 -0.87 -1.26 -5.04 114.94 103.47 3hac s ASN 450 Ca -0.16 -2.45 0.20 0.00 -1.57 0.00 0.00 52.86 48.88 3hac s ASN 450 Cb 0.05 0.50 1.42 0.00 -0.02 0.00 0.00 41.25 43.20 3hac s ASN 450 CO 0.64 -0.14 2.18 1.55 -2.57 0.00 0.00 177.10 178.76 3hac h PRO 451 N 5.54 0.00 -0.03 -0.60 0.13 -1.76 0.38 132.00 135.66 3hac h PRO 451 Ca 0.17 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.19 3hac h PRO 451 Cb 1.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.13 3hac h PRO 451 CO 0.22 0.00 -0.41 0.93 -0.23 0.00 0.00 178.00 178.51 3hac h GLU 452 N 0.00 0.34 0.00 0.86 3.07 -1.96 -3.35 114.58 113.54 3hac h GLU 452 Ca 0.00 -0.32 -0.14 0.00 -0.50 0.00 0.00 59.36 58.40 3hac h GLU 452 Cb 0.01 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 3hac h GLU 452 CO -0.00 0.99 -1.08 -0.09 -1.40 0.00 0.00 179.01 177.43 3hac h ARG 453 N -0.19 0.00 -3.36 2.33 2.43 -1.79 -3.42 114.38 110.39 3hac h ARG 453 Ca -0.04 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.60 3hac h ARG 453 Cb 1.11 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.26 3hac h ARG 453 CO 0.08 0.34 -0.76 0.00 -1.51 0.00 0.00 179.97 178.12 3hac n GLN 455 N 5.05 0.06 -3.57 0.00 6.02 0.98 -4.45 117.38 121.48 3hac n GLN 455 Ca -0.06 -0.48 -0.28 0.00 -0.01 0.00 0.00 57.00 56.17 3hac n GLN 455 Cb 0.45 -0.76 -0.16 0.00 1.02 0.00 0.00 30.24 30.79 3hac n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3hac s TYR 456 N -0.15 0.37 0.07 1.08 6.14 -1.07 -0.79 117.35 122.99 3hac s TYR 456 Ca 0.00 -0.78 0.06 0.00 0.64 0.00 0.00 57.07 57.00 3hac s TYR 456 Cb 0.00 -0.89 -0.04 0.00 0.42 0.00 0.00 41.96 41.46 3hac s TYR 456 CO 0.00 -0.75 -0.12 0.71 0.64 0.00 0.00 175.55 176.03 3hac s TYR 457 N 2.08 2.70 0.36 4.97 2.02 -0.11 -0.84 117.35 128.54 3hac s TYR 457 Ca 0.07 -0.17 0.05 0.00 -0.37 0.00 0.00 57.07 56.65 3hac s TYR 457 Cb -0.16 -1.47 -0.07 0.00 -0.40 0.00 0.00 41.96 39.86 3hac s TYR 457 CO -0.29 0.36 0.04 -1.54 -1.57 0.00 0.00 175.55 172.55 3hac s SER 458 N -1.82 2.99 0.03 2.29 1.04 -0.57 -4.58 113.70 113.07 3hac s SER 458 Ca 0.18 -1.37 -0.02 0.00 0.48 0.00 0.00 55.95 55.22 3hac s SER 458 Cb -0.11 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.78 3hac s SER 458 CO 0.10 -0.54 0.01 0.54 0.98 0.00 0.00 173.24 174.32 3hac s VAL 459 N -3.06 0.14 -0.23 5.02 0.11 -1.26 -1.20 120.40 119.92 3hac s VAL 459 Ca 0.36 -1.11 -0.02 0.00 -2.93 0.00 0.00 61.98 58.28 3hac s VAL 459 Cb 0.09 -0.65 0.07 0.00 -1.53 0.00 0.00 36.38 34.36 3hac s VAL 459 CO 0.17 -0.61 0.04 -0.55 -3.33 0.00 0.00 175.10 170.81 3hac s SER 460 N -1.88 3.37 0.21 3.54 0.15 -0.16 -4.98 113.70 113.95 3hac s SER 460 Ca -0.09 -1.10 -0.15 0.00 0.70 0.00 0.00 55.95 55.30 3hac s SER 460 Cb -0.04 -0.76 -0.08 0.00 -1.71 0.00 0.00 66.02 63.43 3hac s SER 460 CO -0.03 -0.32 0.63 -0.36 1.20 0.00 0.00 173.24 174.35 3hac s PHE 461 N 1.72 3.56 1.19 3.44 0.40 -1.26 -0.69 117.98 126.34 3hac s PHE 461 Ca 0.01 1.16 -0.17 0.00 -0.60 0.00 0.00 56.93 57.33 3hac s PHE 461 Cb -0.17 -2.46 0.28 0.00 0.51 0.00 0.00 43.02 41.18 3hac s PHE 461 CO -0.13 0.33 1.05 -1.54 0.70 0.00 0.00 175.22 175.64 3hac s SER 462 N -1.86 0.94 0.26 1.36 1.04 0.13 -4.84 113.70 110.73 3hac s SER 462 Ca 0.43 0.99 -0.02 0.00 0.48 0.00 0.00 55.95 57.83 3hac s SER 462 Cb -0.14 -1.48 0.46 0.00 0.10 0.00 0.00 66.02 64.96 3hac s SER 462 CO 0.20 -4.15 1.83 0.11 0.98 0.00 0.00 173.24 172.20 3hac h LYS 463 N -2.59 0.90 -0.28 4.02 1.79 -1.74 -0.81 116.57 117.85 3hac h LYS 463 Ca -0.51 -0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 57.76 3hac h LYS 463 Cb 1.32 -0.20 -0.09 0.00 -1.58 0.00 0.00 32.23 31.69 3hac h LYS 463 CO 0.43 0.59 -0.17 0.39 -1.08 0.00 0.00 179.45 179.61 3hac n GLU 464 N -4.66 1.79 -2.24 3.15 -0.58 -1.26 -4.97 120.64 111.86 3hac n GLU 464 Ca 0.16 -3.21 -0.19 0.00 -0.42 0.00 0.00 57.16 53.50 3hac n GLU 464 Cb 0.30 -1.78 -0.02 0.00 -0.57 0.00 0.00 31.44 29.37 3hac n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hac n ALA 465 N -1.12 -0.59 0.16 0.62 0.00 -0.31 -4.88 120.51 114.39 3hac n ALA 465 Ca 0.30 0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.93 3hac n ALA 465 Cb 0.97 -2.00 0.27 0.00 0.00 0.00 0.00 19.45 18.68 3hac n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hac h LYS 466 N 0.00 0.00 -4.69 0.00 3.64 -1.79 -3.42 116.57 110.31 3hac h LYS 466 Ca -0.44 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.68 3hac h LYS 466 Cb 1.31 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.95 3hac h LYS 466 CO 0.53 0.49 -0.72 0.71 -2.27 0.00 0.00 179.45 178.20 3hac s TYR 467 N -3.91 0.85 0.00 1.91 2.02 -1.26 -1.01 117.35 115.95 3hac s TYR 467 Ca -0.02 -0.70 0.00 0.00 -0.37 0.00 0.00 57.07 55.98 3hac s TYR 467 Cb 0.14 -0.49 -0.00 0.00 -0.40 0.00 0.00 41.96 41.21 3hac s TYR 467 CO 0.74 -0.09 -0.01 1.52 -1.57 0.00 0.00 175.55 176.14 3hac s TYR 468 N -2.53 0.10 -0.23 2.71 1.13 -0.57 -0.69 117.35 117.27 3hac s TYR 468 Ca 0.02 -0.05 -0.14 0.00 -1.41 0.00 0.00 57.07 55.50 3hac s TYR 468 Cb -0.02 -0.07 -0.04 0.00 -1.10 0.00 0.00 41.96 40.73 3hac s TYR 468 CO -0.02 -0.01 0.31 -1.14 -2.51 0.00 0.00 175.55 172.18 3hac s GLN 469 N -0.11 4.11 -0.11 -3.49 0.74 0.14 -0.95 119.66 119.98 3hac s GLN 469 Ca -0.01 0.00 -0.13 0.00 0.05 0.00 0.00 55.36 55.27 3hac s GLN 469 Cb -0.01 -3.56 -0.05 0.00 1.10 0.00 0.00 33.01 30.49 3hac s GLN 469 CO -0.00 -0.05 0.31 -0.51 -0.55 0.00 0.00 175.29 174.49 3hac s LEU 470 N 1.36 4.34 -0.33 3.68 1.43 -0.05 -0.99 118.68 128.12 3hac s LEU 470 Ca 0.14 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 3hac s LEU 470 Cb -0.15 -2.40 0.09 0.00 0.03 0.00 0.00 46.19 43.77 3hac s LEU 470 CO 0.07 0.21 0.05 -0.60 0.23 0.00 0.00 176.35 176.31 3hac s ARG 471 N -0.23 1.88 -0.08 1.70 3.52 -0.34 -1.56 118.95 123.84 3hac s ARG 471 Ca 0.19 -1.67 -0.24 0.00 -0.13 0.00 0.00 55.73 53.88 3hac s ARG 471 Cb -0.14 -3.23 -0.03 0.00 -1.56 0.00 0.00 34.95 29.99 3hac s ARG 471 CO 0.07 -0.85 0.72 0.00 -0.81 0.00 0.00 175.30 174.42 3hac n SER 473 N 3.99 2.19 0.00 0.00 3.41 -0.02 -1.79 113.62 121.41 3hac n SER 473 Ca -0.00 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 3hac n SER 473 Cb 0.51 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3hac n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hac n GLY 474 N -0.01 0.18 0.09 5.00 0.00 -1.26 -0.76 105.19 108.43 3hac n GLY 474 Ca 0.04 -1.26 0.12 0.00 0.00 0.00 0.00 46.02 44.92 3hac n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hac n PRO 475 N -1.02 0.17 -0.17 1.61 -0.04 -0.57 -0.01 135.00 134.96 3hac n PRO 475 Ca 0.00 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 3hac n PRO 475 Cb 0.00 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 3hac n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hac n GLY 476 N 0.74 -0.07 3.77 0.55 0.00 -0.28 -4.44 105.19 105.46 3hac n GLY 476 Ca 0.04 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 3hac n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hac s LEU 477 N 0.00 4.45 0.33 0.99 1.43 -1.26 -4.53 118.68 120.09 3hac s LEU 477 Ca 0.00 2.60 -0.27 0.00 -1.03 0.00 0.00 54.13 55.44 3hac s LEU 477 Cb 0.00 -3.64 -0.13 0.00 0.03 0.00 0.00 46.19 42.45 3hac s LEU 477 CO 0.00 -0.47 0.95 -2.65 0.23 0.00 0.00 176.35 174.41 3hac n PRO 478 N 0.99 1.25 -4.03 1.29 -0.02 -1.26 -4.77 135.00 128.46 3hac n PRO 478 Ca 0.00 0.44 -0.21 0.00 -2.02 0.00 0.00 63.50 61.71 3hac n PRO 478 Cb 0.42 -1.84 -0.17 0.00 -0.02 0.00 0.00 33.50 31.89 3hac n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3hac s LEU 479 N 0.38 1.10 -0.14 2.45 2.96 -0.74 -4.25 118.68 120.44 3hac s LEU 479 Ca 0.60 -0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 54.38 3hac s LEU 479 Cb -0.66 -0.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.55 3hac s LEU 479 CO 0.59 -0.10 -0.14 -0.31 -1.32 0.00 0.00 176.35 175.07 3hac s TYR 480 N 1.28 2.80 0.07 5.38 1.51 0.39 -0.91 117.35 127.87 3hac s TYR 480 Ca -0.05 -0.83 0.01 0.00 -1.01 0.00 0.00 57.07 55.19 3hac s TYR 480 Cb -0.14 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 3hac s TYR 480 CO -0.02 -0.34 -0.06 0.95 -1.11 0.00 0.00 175.55 174.97 3hac s THR 481 N 0.59 0.51 0.02 -0.71 -4.23 -0.60 -0.26 115.64 110.97 3hac s THR 481 Ca -0.08 -1.66 0.08 0.00 -1.18 0.00 0.00 61.69 58.84 3hac s THR 481 Cb -0.16 -1.33 -0.03 0.00 1.34 0.00 0.00 72.50 72.33 3hac s THR 481 CO 0.03 -0.78 -0.22 -0.22 -0.54 0.00 0.00 174.62 172.90 3hac s LEU 482 N -2.60 2.38 0.02 4.79 2.96 -0.62 -0.87 118.68 124.73 3hac s LEU 482 Ca 0.04 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.48 3hac s LEU 482 Cb 0.02 -1.41 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 3hac s LEU 482 CO -0.05 0.28 -0.01 -1.00 -1.32 0.00 0.00 176.35 174.25 3hac s HIS 483 N -0.81 0.20 -0.16 5.38 3.76 -0.12 0.08 115.29 123.62 3hac s HIS 483 Ca 0.12 -0.42 -0.15 0.00 -0.15 0.00 0.00 55.06 54.47 3hac s HIS 483 Cb -0.10 -0.15 -0.04 0.00 1.11 0.00 0.00 32.58 33.39 3hac s HIS 483 CO 0.03 -0.17 0.33 -1.54 -0.85 0.00 0.00 174.74 172.54 3hac s SER 484 N -1.24 6.48 0.42 1.40 1.04 -0.60 -1.51 113.70 119.68 3hac s SER 484 Ca -0.14 0.56 0.22 0.00 0.48 0.00 0.00 55.95 57.07 3hac s SER 484 Cb -0.08 -2.20 0.86 0.00 0.10 0.00 0.00 66.02 64.69 3hac s SER 484 CO -0.01 0.07 1.81 0.28 0.98 0.00 0.00 173.24 176.37 3hac h SER 485 N 6.75 0.00 -0.08 7.02 0.02 -1.32 0.15 113.55 126.09 3hac h SER 485 Ca -0.41 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.51 3hac h SER 485 Cb 1.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 3hac h SER 485 CO 0.75 0.29 -0.03 1.62 -1.14 0.00 0.00 176.83 178.32 3hac h VAL 486 N 0.00 1.14 0.00 2.27 3.04 -1.90 -3.29 116.25 117.52 3hac h VAL 486 Ca -0.00 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 3hac h VAL 486 Cb 0.77 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 3hac h VAL 486 CO 0.04 0.19 0.00 -0.46 -1.01 0.00 0.00 177.57 176.32 3hac n ASN 487 N -4.35 0.28 -3.18 3.17 2.04 -1.22 -5.02 115.26 106.98 3hac n ASN 487 Ca -0.00 -1.08 -0.21 0.00 -0.44 0.00 0.00 54.58 52.85 3hac n ASN 487 Cb 0.20 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 37.45 3hac n ASN 487 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 3hac n ASP 488 N -0.04 -3.76 -4.86 0.53 9.92 0.53 -4.97 116.55 113.89 3hac n ASP 488 Ca 0.00 -0.27 -0.34 0.00 -0.53 0.00 0.00 54.79 53.65 3hac n ASP 488 Cb 0.31 -3.13 -0.05 0.00 -0.64 0.00 0.00 41.12 37.60 3hac n ASP 488 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3hac s LYS 489 N -5.82 3.84 0.01 -1.24 -0.14 -1.18 -4.88 119.74 110.33 3hac s LYS 489 Ca 0.32 0.29 -0.30 0.00 -1.36 0.00 0.00 55.97 54.92 3hac s LYS 489 Cb -0.17 -2.87 -0.04 0.00 -1.68 0.00 0.00 37.83 33.08 3hac s LYS 489 CO 0.40 0.46 1.04 0.20 -0.76 0.00 0.00 175.35 176.68 3hac s GLY 490 N -1.96 2.74 -0.20 -3.33 0.00 -1.26 -1.56 107.32 101.75 3hac s GLY 490 Ca 0.39 0.60 -0.20 0.00 0.00 0.00 0.00 44.72 45.52 3hac s GLY 490 CO 0.20 1.80 0.20 1.04 0.00 0.00 0.00 173.10 176.34 3hac n LEU 491 N 4.00 1.95 -3.52 0.66 4.77 0.11 -4.94 117.00 120.03 3hac n LEU 491 Ca 0.07 0.39 -0.08 0.00 -0.03 0.00 0.00 56.01 56.36 3hac n LEU 491 Cb 0.50 -0.98 -0.02 0.00 -2.33 0.00 0.00 43.42 40.59 3hac n LEU 491 CO 0.53 0.35 0.71 0.00 -1.33 0.00 0.00 177.39 177.66 3hac s ARG 492 N -2.39 0.80 -0.07 3.23 1.70 -1.20 -5.02 118.95 115.99 3hac s ARG 492 Ca -0.29 -0.30 -0.24 0.00 -0.47 0.00 0.00 55.73 54.43 3hac s ARG 492 Cb 0.06 0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 34.77 3hac s ARG 492 CO 0.61 -0.35 0.74 0.08 -1.08 0.00 0.00 175.30 175.30 3hac s VAL 493 N -3.07 5.01 -0.15 4.99 1.01 -1.26 -1.59 120.40 125.33 3hac s VAL 493 Ca 0.06 1.53 -0.12 0.00 0.00 0.00 0.00 61.98 63.45 3hac s VAL 493 Cb -0.01 -4.08 -0.23 0.00 0.00 0.00 0.00 36.38 32.06 3hac s VAL 493 CO -0.08 0.22 0.29 0.18 0.00 0.00 0.00 175.10 175.70 3hac n LEU 494 N 3.97 2.38 -3.66 3.92 4.77 0.64 -4.94 117.00 124.07 3hac n LEU 494 Ca 0.00 0.27 -0.07 0.00 -0.03 0.00 0.00 56.01 56.18 3hac n LEU 494 Cb 0.51 -1.06 -0.08 0.00 -2.33 0.00 0.00 43.42 40.45 3hac n LEU 494 CO 0.48 0.66 0.13 -0.70 -1.33 0.00 0.00 177.39 176.63 3hac s GLU 495 N -2.49 0.46 0.00 3.23 2.56 -1.06 -5.00 118.70 116.39 3hac s GLU 495 Ca -0.25 1.08 0.04 0.00 0.00 0.00 0.00 54.97 55.85 3hac s GLU 495 Cb 0.07 0.31 0.05 0.00 2.00 0.00 0.00 34.13 36.55 3hac s GLU 495 CO 0.70 -0.20 0.71 -0.40 -0.56 0.00 0.00 175.26 175.51 3hac n ASP 496 N 4.92 1.52 -3.40 -1.70 5.68 -1.26 -0.46 116.55 121.85 3hac n ASP 496 Ca -0.15 -1.31 -0.25 0.00 -0.50 0.00 0.00 54.79 52.59 3hac n ASP 496 Cb 0.52 -0.01 0.03 0.00 -1.14 0.00 0.00 41.12 40.52 3hac n ASP 496 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3hac n ASN 497 N 0.19 -5.11 0.09 -1.12 3.02 -1.26 -4.84 115.26 106.23 3hac n ASN 497 Ca 0.03 -0.46 0.01 0.00 -0.03 0.00 0.00 54.58 54.13 3hac n ASN 497 Cb 0.14 -4.13 0.32 0.00 -0.61 0.00 0.00 39.78 35.51 3hac n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3hac h SER 498 N -1.56 0.28 0.05 6.41 4.64 -1.95 -1.54 113.55 119.88 3hac h SER 498 Ca -0.51 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 3hac h SER 498 Cb 1.34 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 3hac h SER 498 CO 0.58 0.49 -0.06 0.00 -0.87 0.00 0.00 176.83 176.98 3hac h ALA 499 N 1.54 -0.10 -0.52 5.18 0.00 -1.99 -1.55 119.26 121.82 3hac h ALA 499 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3hac h ALA 499 Cb 0.50 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3hac h ALA 499 CO 0.03 -0.57 0.14 1.25 0.00 0.00 0.00 179.25 180.11 3hac h LEU 500 N -0.13 0.77 -0.70 0.00 5.85 -1.83 -2.32 115.31 116.95 3hac h LEU 500 Ca 0.01 -0.22 0.13 0.00 0.84 0.00 0.00 57.88 58.64 3hac h LEU 500 Cb 0.13 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 40.87 3hac h LEU 500 CO -0.03 0.78 0.23 -0.78 -0.34 0.00 0.00 178.44 178.31 3hac h ASP 501 N 0.71 0.16 -0.16 1.25 3.58 -1.15 0.72 116.42 121.53 3hac h ASP 501 Ca 0.16 0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.72 3hac h ASP 501 Cb 0.30 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 3hac h ASP 501 CO -0.00 0.06 0.09 0.50 -2.88 0.00 0.00 179.24 177.01 3hac h LYS 502 N 0.36 0.22 -0.21 0.28 3.11 -0.97 -2.35 116.57 117.02 3hac h LYS 502 Ca 0.38 -0.02 0.02 0.00 -2.81 0.00 0.00 60.65 58.22 3hac h LYS 502 Cb 0.57 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.74 3hac h LYS 502 CO -0.41 0.21 0.06 0.52 -2.81 0.00 0.00 179.45 177.02 3hac h MET 503 N 0.17 0.15 0.00 1.90 2.86 -0.85 -2.94 114.93 116.22 3hac h MET 503 Ca 0.06 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3hac h MET 503 Cb 0.05 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.68 3hac h MET 503 CO -0.01 0.10 0.00 -0.07 1.06 0.00 0.00 176.91 177.99 3hac h LEU 504 N 0.16 0.00 -2.24 1.22 3.38 -0.66 -2.33 115.31 114.84 3hac h LEU 504 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3hac h LEU 504 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3hac h LEU 504 CO -0.10 0.00 -0.03 1.56 0.09 0.00 0.00 178.44 179.97 3hac h GLN 505 N 0.00 0.00 -0.36 1.13 1.08 -1.23 -1.72 115.11 114.01 3hac h GLN 505 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3hac h GLN 505 Cb 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3hac h GLN 505 CO 0.00 0.03 0.00 0.09 -0.95 0.00 0.00 178.83 178.00 3hac n ASN 506 N -4.01 2.10 -4.23 1.46 3.02 -0.87 -4.89 115.26 107.84 3hac n ASN 506 Ca -0.03 -1.95 -0.29 0.00 -0.03 0.00 0.00 54.58 52.28 3hac n ASN 506 Cb 0.11 -0.24 -0.16 0.00 -0.61 0.00 0.00 39.78 38.88 3hac n ASN 506 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hac s VAL 507 N -1.52 1.80 -1.05 2.41 1.01 -0.65 -3.52 120.40 118.88 3hac s VAL 507 Ca 0.28 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 61.10 3hac s VAL 507 Cb 0.15 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 3hac s VAL 507 CO 0.20 0.51 1.74 -1.10 0.00 0.00 0.00 175.10 176.45 3hac s GLN 508 N -0.23 3.13 0.31 2.72 -0.21 0.01 -4.97 119.66 120.42 3hac s GLN 508 Ca 0.00 -0.97 -0.16 0.00 0.02 0.00 0.00 55.36 54.25 3hac s GLN 508 Cb -0.11 -5.27 -0.09 0.00 1.00 0.00 0.00 33.01 28.54 3hac s GLN 508 CO 0.02 -2.89 0.74 -1.64 -2.12 0.00 0.00 175.29 169.40 3hac s MET 509 N 5.79 4.05 0.78 2.91 -1.94 -1.26 -4.21 119.30 125.42 3hac s MET 509 Ca 0.59 0.72 -0.12 0.00 -1.71 0.00 0.00 55.69 55.17 3hac s MET 509 Cb -0.02 -2.49 0.06 0.00 2.01 0.00 0.00 34.83 34.39 3hac s MET 509 CO -0.01 0.19 1.12 -1.25 -0.01 0.00 0.00 175.02 175.06 3hac s PRO 510 N -2.83 2.22 0.40 2.03 0.04 -1.26 -4.23 135.00 131.36 3hac s PRO 510 Ca 0.53 0.40 0.08 0.00 0.04 0.00 0.00 61.00 62.04 3hac s PRO 510 Cb -0.11 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 3hac s PRO 510 CO 0.18 -1.47 0.27 -1.54 0.04 0.00 0.00 177.00 174.48 3hac s SER 511 N -4.26 4.79 -0.08 6.66 1.04 -0.41 -4.92 113.70 116.53 3hac s SER 511 Ca 0.60 -0.86 0.01 0.00 0.48 0.00 0.00 55.95 56.19 3hac s SER 511 Cb -0.12 -0.57 0.02 0.00 0.10 0.00 0.00 66.02 65.44 3hac s SER 511 CO 0.52 -0.56 -0.09 -0.75 0.98 0.00 0.00 173.24 173.34 3hac s LYS 512 N -4.01 1.50 -0.16 4.02 2.20 -1.26 -0.08 119.74 121.96 3hac s LYS 512 Ca 0.44 -0.31 -0.05 0.00 -0.36 0.00 0.00 55.97 55.69 3hac s LYS 512 Cb -0.01 -1.37 -0.03 0.00 -1.51 0.00 0.00 37.83 34.91 3hac s LYS 512 CO 0.25 -0.08 -0.00 0.21 -0.36 0.00 0.00 175.35 175.37 3hac s LYS 513 N 1.04 3.73 -0.18 4.03 2.20 -0.22 -4.96 119.74 125.39 3hac s LYS 513 Ca -0.08 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.09 3hac s LYS 513 Cb -0.15 -3.01 0.03 0.00 -1.51 0.00 0.00 37.83 33.20 3hac s LYS 513 CO -0.01 0.28 -0.15 -1.17 -0.36 0.00 0.00 175.35 173.94 3hac s LEU 514 N 0.28 2.10 0.00 5.43 2.96 -1.26 -0.68 118.68 127.51 3hac s LEU 514 Ca -0.01 -0.69 -0.02 0.00 -0.22 0.00 0.00 54.13 53.19 3hac s LEU 514 Cb -0.13 -1.33 0.01 0.00 0.50 0.00 0.00 46.19 45.23 3hac s LEU 514 CO 0.02 -0.06 0.18 -0.67 -1.32 0.00 0.00 176.35 174.49 3hac n ASP 515 N 4.67 -0.50 -4.15 3.68 4.64 -0.40 -5.01 116.55 119.48 3hac n ASP 515 Ca -0.18 -1.46 -0.11 0.00 -1.38 0.00 0.00 54.79 51.66 3hac n ASP 515 Cb 0.49 0.87 -0.10 0.00 -1.04 0.00 0.00 41.12 41.34 3hac n ASP 515 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 3hac s PHE 516 N -5.97 0.85 0.15 -0.67 -0.71 -1.26 -0.04 117.98 110.34 3hac s PHE 516 Ca 0.06 -0.83 0.11 0.00 -1.04 0.00 0.00 56.93 55.23 3hac s PHE 516 Cb -0.01 -0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 41.26 3hac s PHE 516 CO 0.04 -0.13 -0.25 0.96 -1.34 0.00 0.00 175.22 174.50 3hac s ILE 517 N -3.15 2.26 -0.31 -4.49 -4.36 0.28 -4.92 121.20 106.50 3hac s ILE 517 Ca 0.07 -1.86 -0.12 0.00 -0.26 0.00 0.00 60.65 58.49 3hac s ILE 517 Cb 0.02 -2.02 -0.03 0.00 1.25 0.00 0.00 42.46 41.68 3hac s ILE 517 CO -0.04 -0.01 0.20 -0.63 0.24 0.00 0.00 174.94 174.71 3hac s ILE 518 N -1.32 5.19 -0.12 8.37 1.01 -1.26 -0.31 121.20 132.76 3hac s ILE 518 Ca 0.16 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.76 3hac s ILE 518 Cb -0.09 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.81 3hac s ILE 518 CO 0.07 0.12 -0.19 -0.76 0.00 0.00 0.00 174.94 174.18 3hac s LEU 519 N 1.72 1.92 -1.46 2.97 1.43 0.01 -4.76 118.68 120.51 3hac s LEU 519 Ca 0.06 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.59 3hac s LEU 519 Cb -0.17 -1.25 0.05 0.00 0.03 0.00 0.00 46.19 44.85 3hac s LEU 519 CO 0.10 0.06 0.67 0.59 0.23 0.00 0.00 176.35 178.00 3hac n ASN 520 N 4.03 -2.01 -1.02 2.29 3.02 -1.26 -1.33 115.26 118.98 3hac n ASN 520 Ca -0.20 -0.91 -0.13 0.00 -0.03 0.00 0.00 54.58 53.31 3hac n ASN 520 Cb 0.52 -3.42 -0.06 0.00 -0.61 0.00 0.00 39.78 36.21 3hac n ASN 520 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hac n GLU 521 N -4.43 -1.35 -5.22 3.52 1.02 -1.26 -5.00 120.64 107.92 3hac n GLU 521 Ca -0.16 0.95 -0.32 0.00 -0.02 0.00 0.00 57.16 57.61 3hac n GLU 521 Cb 0.62 -5.21 -0.16 0.00 -0.02 0.00 0.00 31.44 26.66 3hac n GLU 521 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3hac s THR 522 N -2.28 2.17 0.07 2.62 2.01 -0.44 -5.12 115.64 114.66 3hac s THR 522 Ca 0.00 -1.03 -0.31 0.00 0.31 0.00 0.00 61.69 60.67 3hac s THR 522 Cb 0.00 -1.79 -0.06 0.00 0.01 0.00 0.00 72.50 70.66 3hac s THR 522 CO 0.00 0.57 1.26 -0.54 -0.69 0.00 0.00 174.62 175.21 3hac s LYS 523 N -0.16 4.39 -0.11 4.92 1.02 -1.26 -0.81 119.74 127.74 3hac s LYS 523 Ca -0.04 1.85 0.02 0.00 0.02 0.00 0.00 55.97 57.82 3hac s LYS 523 Cb -0.14 -3.34 0.01 0.00 -0.52 0.00 0.00 37.83 33.84 3hac s LYS 523 CO 0.04 -0.33 -0.16 -0.06 -0.92 0.00 0.00 175.35 173.93 3hac s PHE 524 N 1.20 1.98 0.18 3.18 0.40 0.58 -4.96 117.98 120.54 3hac s PHE 524 Ca 0.60 -0.91 -0.16 0.00 -0.60 0.00 0.00 56.93 55.86 3hac s PHE 524 Cb -0.31 -1.42 -0.07 0.00 0.51 0.00 0.00 43.02 41.72 3hac s PHE 524 CO 0.29 -0.46 0.62 -1.58 0.70 0.00 0.00 175.22 174.79 3hac s TRP 525 N 0.93 3.61 0.05 0.36 0.52 -1.25 -0.56 118.94 122.60 3hac s TRP 525 Ca -0.08 1.18 -0.00 0.00 0.02 0.00 0.00 56.10 57.22 3hac s TRP 525 Cb -0.15 -2.46 -0.03 0.00 -1.15 0.00 0.00 33.47 29.67 3hac s TRP 525 CO -0.01 0.38 -0.04 1.52 0.02 0.00 0.00 176.95 178.82 3hac s TYR 526 N -1.52 0.52 0.10 -1.98 -0.85 0.94 -1.37 117.35 113.19 3hac s TYR 526 Ca 0.41 -0.88 0.08 0.00 -0.52 0.00 0.00 57.07 56.15 3hac s TYR 526 Cb -0.15 -0.36 -0.03 0.00 0.38 0.00 0.00 41.96 41.79 3hac s TYR 526 CO 0.20 -0.28 -0.19 1.14 -1.52 0.00 0.00 175.55 174.89 3hac s GLN 527 N -3.17 1.09 -0.08 -3.49 -2.07 -0.48 -1.27 119.66 110.19 3hac s GLN 527 Ca 0.01 -1.15 0.02 0.00 -1.82 0.00 0.00 55.36 52.41 3hac s GLN 527 Cb 0.02 -1.28 0.02 0.00 -1.09 0.00 0.00 33.01 30.68 3hac s GLN 527 CO -0.06 0.29 -0.12 -1.64 -1.32 0.00 0.00 175.29 172.44 3hac s MET 528 N -1.99 1.74 -0.33 9.60 -1.94 0.14 -1.26 119.30 125.27 3hac s MET 528 Ca 0.06 -0.41 -0.24 0.00 -1.71 0.00 0.00 55.69 53.39 3hac s MET 528 Cb -0.09 -1.50 0.01 0.00 2.01 0.00 0.00 34.83 35.25 3hac s MET 528 CO 0.04 -0.03 0.82 0.42 -0.01 0.00 0.00 175.02 176.26 3hac s ILE 529 N 0.86 4.73 -0.11 2.53 -1.09 0.51 -1.05 121.20 127.58 3hac s ILE 529 Ca -0.11 1.15 -0.02 0.00 -2.23 0.00 0.00 60.65 59.44 3hac s ILE 529 Cb -0.15 -4.20 -0.03 0.00 -1.58 0.00 0.00 42.46 36.49 3hac s ILE 529 CO 0.01 -0.35 -0.02 -0.76 -1.23 0.00 0.00 174.94 172.59 3hac s LEU 530 N 3.10 3.39 0.69 2.97 1.43 0.88 -1.72 118.68 129.41 3hac s LEU 530 Ca 0.34 0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 53.28 3hac s LEU 530 Cb -0.13 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3hac s LEU 530 CO 0.14 0.29 0.67 -2.65 0.23 0.00 0.00 176.35 175.04 3hac n PRO 531 N 2.73 0.44 -1.70 1.29 -0.02 -1.26 -1.28 135.00 135.20 3hac n PRO 531 Ca -0.18 0.19 -0.39 0.00 -2.02 0.00 0.00 63.50 61.11 3hac n PRO 531 Cb 0.53 -1.93 0.04 0.00 -0.02 0.00 0.00 33.50 32.12 3hac n PRO 531 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hac n PRO 532 N -0.91 1.42 -2.75 0.52 -0.04 -1.26 -2.54 135.00 129.44 3hac n PRO 532 Ca 0.11 0.53 -0.21 0.00 -0.04 0.00 0.00 63.50 63.89 3hac n PRO 532 Cb 0.49 -2.42 0.02 0.00 -0.04 0.00 0.00 33.50 31.55 3hac n PRO 532 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hac n HIS 533 N -1.21 -1.53 -1.65 0.54 8.25 -1.26 -4.87 115.22 113.48 3hac n HIS 533 Ca 0.12 0.31 -0.53 0.00 -0.26 0.00 0.00 57.72 57.36 3hac n HIS 533 Cb 0.45 -4.18 -0.06 0.00 1.12 0.00 0.00 29.99 27.31 3hac n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3hac n PHE 534 N -4.30 1.88 -3.95 4.41 7.35 -1.05 -4.95 117.46 116.84 3hac n PHE 534 Ca -0.16 0.48 -0.34 0.00 -0.76 0.00 0.00 57.45 56.68 3hac n PHE 534 Cb 0.64 -2.44 -0.14 0.00 0.35 0.00 0.00 39.48 37.89 3hac n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3hac s ASP 535 N 1.93 4.81 0.65 -2.13 3.68 -1.26 -4.98 116.67 119.36 3hac s ASP 535 Ca 0.89 -1.61 0.31 0.00 2.13 0.00 0.00 52.55 54.26 3hac s ASP 535 Cb -0.93 -1.67 1.67 0.00 -1.45 0.00 0.00 42.92 40.54 3hac s ASP 535 CO 0.52 -0.31 1.94 0.07 0.13 0.00 0.00 175.17 177.52 3hac h LYS 536 N 7.86 0.00 -0.16 4.34 2.10 -1.97 0.33 116.57 129.07 3hac h LYS 536 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 3hac h LYS 536 Cb 1.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 3hac h LYS 536 CO 0.54 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.86 3hac n SER 537 N -2.87 1.41 -4.59 7.07 3.41 -1.26 -4.40 113.62 112.38 3hac n SER 537 Ca -0.02 -1.72 -0.24 0.00 -0.26 0.00 0.00 58.87 56.63 3hac n SER 537 Cb 0.35 -0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 64.11 3hac n SER 537 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hac s LYS 538 N -1.79 2.11 -0.31 4.33 1.02 0.10 -5.07 119.74 120.14 3hac s LYS 538 Ca 0.29 -1.47 -0.09 0.00 0.02 0.00 0.00 55.97 54.73 3hac s LYS 538 Cb 0.15 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 3hac s LYS 538 CO 0.23 0.37 0.13 0.15 -0.92 0.00 0.00 175.35 175.31 3hac s LYS 539 N -3.49 3.17 0.05 1.68 -0.14 -1.26 -4.24 119.74 115.51 3hac s LYS 539 Ca 0.30 -0.82 0.01 0.00 -1.36 0.00 0.00 55.97 54.09 3hac s LYS 539 Cb -0.06 -3.51 -0.04 0.00 -1.68 0.00 0.00 37.83 32.54 3hac s LYS 539 CO 0.18 -0.46 0.15 0.71 -0.76 0.00 0.00 175.35 175.17 3hac s TYR 540 N 1.56 3.39 0.54 3.18 2.02 0.24 -4.47 117.35 123.82 3hac s TYR 540 Ca 0.03 0.21 -0.20 0.00 -0.37 0.00 0.00 57.07 56.74 3hac s TYR 540 Cb -0.17 -1.72 -0.05 0.00 -0.40 0.00 0.00 41.96 39.61 3hac s TYR 540 CO 0.05 0.57 1.20 -1.25 -1.57 0.00 0.00 175.55 174.55 3hac s PRO 541 N -2.30 3.29 -0.09 -1.71 0.04 -1.26 -0.31 135.00 132.66 3hac s PRO 541 Ca 0.31 1.82 0.03 0.00 0.04 0.00 0.00 61.00 63.20 3hac s PRO 541 Cb -0.13 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.30 3hac s PRO 541 CO 0.23 -0.95 -0.17 -1.17 0.04 0.00 0.00 177.00 174.98 3hac s LEU 542 N -3.65 1.81 -0.26 -3.56 0.20 -0.49 -1.47 118.68 111.26 3hac s LEU 542 Ca 0.72 -0.41 -0.08 0.00 0.69 0.00 0.00 54.13 55.05 3hac s LEU 542 Cb -0.30 -1.08 -0.02 0.00 -0.43 0.00 0.00 46.19 44.36 3hac s LEU 542 CO 0.34 0.07 0.08 -0.22 -0.29 0.00 0.00 176.35 176.33 3hac s LEU 543 N 0.64 3.55 -0.34 -0.68 2.96 0.60 -0.60 118.68 124.81 3hac s LEU 543 Ca -0.14 -0.27 -0.25 0.00 -0.22 0.00 0.00 54.13 53.25 3hac s LEU 543 Cb -0.16 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.60 3hac s LEU 543 CO 0.04 -0.06 0.90 -0.22 -1.32 0.00 0.00 176.35 175.69 3hac s LEU 544 N 1.61 4.03 -0.39 -0.68 2.96 -0.07 -0.27 118.68 125.87 3hac s LEU 544 Ca 0.06 0.68 -0.17 0.00 -0.22 0.00 0.00 54.13 54.47 3hac s LEU 544 Cb -0.15 -3.24 0.01 0.00 0.50 0.00 0.00 46.19 43.31 3hac s LEU 544 CO 0.04 -0.77 0.46 -0.62 -1.32 0.00 0.00 176.35 174.14 3hac s ASP 545 N 1.75 6.24 -0.08 3.68 -1.08 0.18 -0.97 116.67 126.37 3hac s ASP 545 Ca 0.37 -0.37 0.03 0.00 -0.52 0.00 0.00 52.55 52.07 3hac s ASP 545 Cb -0.13 -2.24 -0.02 0.00 -1.46 0.00 0.00 42.92 39.08 3hac s ASP 545 CO 0.16 -0.52 -0.17 -0.69 0.52 0.00 0.00 175.17 174.47 3hac s VAL 546 N 2.25 2.71 0.00 1.11 1.01 0.21 -4.42 120.40 123.27 3hac s VAL 546 Ca 0.15 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3hac s VAL 546 Cb -0.16 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.15 3hac s VAL 546 CO 0.14 0.56 0.00 0.00 0.00 0.00 0.00 175.10 175.80 3hac n TYR 547 N 2.98 0.00 -1.12 5.22 9.36 -1.26 -4.15 117.16 128.19 3hac n TYR 547 Ca -0.18 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.00 3hac n TYR 547 Cb 0.52 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.22 3hac n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3hac n ALA 548 N -2.01 -0.06 -1.00 2.98 0.00 -1.26 -3.17 120.51 115.98 3hac n ALA 548 Ca 0.00 0.07 -0.28 0.00 0.00 0.00 0.00 53.44 53.22 3hac n ALA 548 Cb 0.00 -0.86 0.20 0.00 0.00 0.00 0.00 19.45 18.79 3hac n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hac s GLY 549 N -2.46 1.55 0.22 0.00 0.00 -1.26 -4.86 107.32 100.51 3hac s GLY 549 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 44.72 44.04 3hac s GLY 549 CO 0.00 0.30 1.58 2.56 0.00 0.00 0.00 173.10 177.54 3hac s PRO 550 N -4.87 4.19 -1.61 2.90 0.04 -1.26 -1.72 135.00 132.68 3hac s PRO 550 Ca 0.66 2.44 0.00 0.00 0.04 0.00 0.00 61.00 64.14 3hac s PRO 550 Cb -0.20 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.24 3hac s PRO 550 CO 0.59 -0.60 0.00 0.00 0.04 0.00 0.00 177.00 177.03 3hac s SER 552 N -2.80 6.10 -0.18 0.00 1.04 -0.70 -3.86 113.70 113.31 3hac s SER 552 Ca 0.00 1.50 -0.04 0.00 0.48 0.00 0.00 55.95 57.89 3hac s SER 552 Cb 0.00 -2.48 0.08 0.00 0.10 0.00 0.00 66.02 63.72 3hac s SER 552 CO 0.00 -0.96 0.20 -1.58 0.98 0.00 0.00 173.24 171.88 3hac s GLN 553 N -4.95 0.15 0.00 4.02 0.74 -1.26 -0.79 119.66 117.57 3hac s GLN 553 Ca 0.56 0.26 0.11 0.00 0.05 0.00 0.00 55.36 56.35 3hac s GLN 553 Cb -0.12 -1.07 -0.04 0.00 1.10 0.00 0.00 33.01 32.89 3hac s GLN 553 CO 0.50 -0.58 0.63 1.63 -0.55 0.00 0.00 175.29 176.92 3hac n LYS 554 N 5.32 2.36 -3.74 1.67 4.76 -1.26 -4.86 118.16 122.40 3hac n LYS 554 Ca -0.06 -0.47 -0.38 0.00 -2.87 0.00 0.00 58.31 54.53 3hac n LYS 554 Cb 0.50 -1.10 -0.12 0.00 -1.84 0.00 0.00 35.03 32.46 3hac n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hac s ALA 555 N -1.66 3.07 0.25 7.82 0.00 -1.26 -4.76 121.76 125.22 3hac s ALA 555 Ca 0.08 -1.82 -0.03 0.00 0.00 0.00 0.00 51.96 50.19 3hac s ALA 555 Cb 0.09 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.92 3hac s ALA 555 CO 0.34 -1.39 0.38 -0.40 0.00 0.00 0.00 175.76 174.69 3hac n ASP 556 N 4.81 -1.06 -1.67 0.00 5.68 -1.26 -4.42 116.55 118.62 3hac n ASP 556 Ca -0.12 -2.29 0.03 0.00 -0.50 0.00 0.00 54.79 51.91 3hac n ASP 556 Cb 0.44 1.92 0.33 0.00 -1.14 0.00 0.00 41.12 42.68 3hac n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hac n THR 557 N -0.40 2.71 -2.95 2.12 -2.24 -1.01 -4.95 114.28 107.56 3hac n THR 557 Ca -0.01 -1.65 -0.40 0.00 -2.27 0.00 0.00 64.05 59.72 3hac n THR 557 Cb 0.41 -0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 3hac n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hac s VAL 558 N -2.88 4.62 -0.11 2.28 1.01 -1.26 -1.51 120.40 122.55 3hac s VAL 558 Ca 0.52 1.71 -0.30 0.00 0.00 0.00 0.00 61.98 63.91 3hac s VAL 558 Cb 0.41 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 3hac s VAL 558 CO 0.13 0.39 1.09 0.12 0.00 0.00 0.00 175.10 176.83 3hac s PHE 559 N -0.27 3.35 0.03 5.22 5.36 0.07 -4.91 117.98 126.82 3hac s PHE 559 Ca 0.39 1.42 0.05 0.00 -0.96 0.00 0.00 56.93 57.83 3hac s PHE 559 Cb -0.21 -3.29 -0.02 0.00 -0.34 0.00 0.00 43.02 39.15 3hac s PHE 559 CO 0.25 -0.69 -0.15 1.03 -1.46 0.00 0.00 175.22 174.20 3hac s ARG 560 N 2.33 1.01 -0.34 10.12 0.52 -1.26 -4.91 118.95 126.41 3hac s ARG 560 Ca 0.50 -0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 54.98 3hac s ARG 560 Cb -0.20 -1.02 0.08 0.00 0.52 0.00 0.00 34.95 34.33 3hac s ARG 560 CO 0.17 0.26 0.08 -0.51 0.02 0.00 0.00 175.30 175.32 3hac s LEU 561 N -0.98 4.49 0.00 2.53 1.43 -1.26 -4.88 118.68 120.01 3hac s LEU 561 Ca 0.03 -1.68 0.00 0.00 -1.03 0.00 0.00 54.13 51.45 3hac s LEU 561 Cb -0.07 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3hac s LEU 561 CO 0.01 -0.38 0.00 -0.46 0.23 0.00 0.00 176.35 175.75 3hac n ASN 562 N 4.55 0.00 -0.25 2.29 0.23 -1.26 -5.01 115.26 115.82 3hac n ASN 562 Ca -0.07 -0.72 -0.02 0.00 -0.53 0.00 0.00 54.58 53.24 3hac n ASN 562 Cb 0.42 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.21 3hac n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3hac h TRP 563 N 0.72 0.78 -0.91 -2.53 7.01 -1.98 -1.96 115.95 117.08 3hac h TRP 563 Ca 0.00 0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.15 3hac h TRP 563 Cb 0.00 -0.25 -0.07 0.00 -2.10 0.00 0.00 29.16 26.74 3hac h TRP 563 CO 0.00 0.41 0.59 0.00 -2.79 0.00 0.00 178.44 176.65 3hac h ALA 564 N 1.33 1.71 -0.17 2.65 0.00 -1.99 -1.20 119.26 121.59 3hac h ALA 564 Ca 0.30 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.25 3hac h ALA 564 Cb 0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3hac h ALA 564 CO -0.14 0.07 -0.02 1.15 0.00 0.00 0.00 179.25 180.31 3hac h THR 565 N 0.81 0.86 -0.18 0.00 2.02 -1.69 -0.16 112.91 114.57 3hac h THR 565 Ca 0.45 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.62 3hac h THR 565 Cb 0.58 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3hac h THR 565 CO -0.21 0.01 0.11 0.22 0.37 0.00 0.00 175.52 176.02 3hac h TYR 566 N 0.03 0.23 -0.60 3.16 3.20 -1.34 0.27 116.97 121.93 3hac h TYR 566 Ca 0.08 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.97 3hac h TYR 566 Cb 0.11 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 3hac h TYR 566 CO -0.17 0.16 0.38 -0.07 -1.64 0.00 0.00 178.16 176.82 3hac h LEU 567 N 0.23 0.65 -0.08 2.82 3.38 -0.85 0.18 115.31 121.64 3hac h LEU 567 Ca 0.06 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3hac h LEU 567 Cb -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3hac h LEU 567 CO -0.01 0.46 -0.07 0.00 0.09 0.00 0.00 178.44 178.91 3hac h ALA 568 N 1.24 0.12 -0.03 1.53 0.00 -0.97 -1.71 119.26 119.44 3hac h ALA 568 Ca 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hac h ALA 568 Cb -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hac h ALA 568 CO -0.07 -0.07 -0.02 1.03 0.00 0.00 0.00 179.25 180.12 3hac h SER 569 N -0.23 0.06 0.06 0.00 0.87 -0.18 -2.76 113.55 111.37 3hac h SER 569 Ca 0.01 -0.45 -0.31 0.00 -1.23 0.00 0.00 61.79 59.82 3hac h SER 569 Cb 0.57 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 3hac h SER 569 CO 0.02 0.50 -1.68 0.41 -0.53 0.00 0.00 176.83 175.54 3hac n THR 570 N -4.83 1.64 1.15 2.23 -1.04 0.62 -4.49 114.28 109.58 3hac n THR 570 Ca -0.08 -0.34 0.12 0.00 -2.04 0.00 0.00 64.05 61.72 3hac n THR 570 Cb 0.25 -1.88 0.21 0.00 -1.82 0.00 0.00 70.33 67.09 3hac n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hac n GLU 571 N -3.98 1.54 -3.69 -2.82 -0.58 -0.87 -4.97 120.64 105.28 3hac n GLU 571 Ca -0.34 -1.15 -0.24 0.00 -0.42 0.00 0.00 57.16 55.01 3hac n GLU 571 Cb 0.86 -1.48 0.06 0.00 -0.57 0.00 0.00 31.44 30.31 3hac n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hac n ASN 572 N 0.28 -4.26 -4.60 1.62 5.03 -0.71 -4.94 115.26 107.67 3hac n ASN 572 Ca 0.13 -0.68 -0.34 0.00 0.87 0.00 0.00 54.58 54.56 3hac n ASN 572 Cb 0.46 -4.50 -0.10 0.00 -1.02 0.00 0.00 39.78 34.61 3hac n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hac s ILE 573 N -3.38 4.41 -0.08 2.41 1.01 -0.78 -4.44 121.20 120.35 3hac s ILE 573 Ca 0.42 -0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 3hac s ILE 573 Cb -0.20 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 3hac s ILE 573 CO 0.78 0.51 1.17 -0.63 0.00 0.00 0.00 174.94 176.76 3hac s ILE 574 N 0.08 4.36 -0.32 2.92 1.01 -0.54 -3.27 121.20 125.44 3hac s ILE 574 Ca 0.03 1.67 -0.07 0.00 0.00 0.00 0.00 60.65 62.27 3hac s ILE 574 Cb -0.13 -4.07 0.02 0.00 0.01 0.00 0.00 42.46 38.29 3hac s ILE 574 CO 0.02 -0.02 0.11 -0.69 0.00 0.00 0.00 174.94 174.36 3hac s VAL 575 N 2.32 4.02 0.08 2.92 1.01 -0.70 -0.29 120.40 129.76 3hac s VAL 575 Ca 0.54 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.72 3hac s VAL 575 Cb -0.23 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3hac s VAL 575 CO 0.20 -0.05 -0.05 0.00 0.00 0.00 0.00 175.10 175.19 3hac s ALA 576 N 1.48 3.10 0.04 5.51 0.00 0.62 -0.36 121.76 132.16 3hac s ALA 576 Ca 0.01 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.83 3hac s ALA 576 Cb -0.18 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 3hac s ALA 576 CO 0.03 0.66 -0.06 -1.12 0.00 0.00 0.00 175.76 175.28 3hac s SER 577 N -2.10 0.68 -0.01 0.00 0.01 -0.39 0.49 113.70 112.38 3hac s SER 577 Ca 0.22 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.87 3hac s SER 577 Cb -0.11 0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.20 3hac s SER 577 CO 0.14 -0.29 0.00 0.12 0.41 0.00 0.00 173.24 173.63 3hac s PHE 578 N -1.84 0.09 -0.49 2.43 5.36 -1.26 -1.38 117.98 120.88 3hac s PHE 578 Ca -0.08 0.03 -0.07 0.00 -0.96 0.00 0.00 56.93 55.84 3hac s PHE 578 Cb -0.07 -0.14 0.13 0.00 -0.34 0.00 0.00 43.02 42.60 3hac s PHE 578 CO -0.01 -0.04 0.35 -0.51 -1.46 0.00 0.00 175.22 173.54 3hac s ASP 579 N 0.38 5.61 0.00 6.13 1.01 -0.47 -4.82 116.67 124.51 3hac s ASP 579 Ca -0.03 -2.08 0.00 0.00 0.71 0.00 0.00 52.55 51.14 3hac s ASP 579 Cb -0.05 -1.96 0.00 0.00 1.01 0.00 0.00 42.92 41.92 3hac s ASP 579 CO -0.01 -0.62 0.00 0.61 0.21 0.00 0.00 175.17 175.36 3hac n GLY 580 N 4.64 1.83 3.73 0.21 0.00 -1.26 -3.94 105.19 110.39 3hac n GLY 580 Ca -0.04 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 3hac n GLY 580 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hac n ARG 581 N 0.00 2.32 0.00 1.61 1.74 -1.26 -2.09 116.66 118.97 3hac n ARG 581 Ca 0.00 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 3hac n ARG 581 Cb 0.00 -2.48 0.00 0.00 -1.02 0.00 0.00 32.46 28.96 3hac n ARG 581 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hac n GLY 582 N 0.64 2.11 3.82 -0.13 0.00 0.53 -4.06 105.19 108.11 3hac n GLY 582 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3hac n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hac s SER 583 N -2.01 5.28 0.59 1.61 1.04 -0.89 -0.33 113.70 118.99 3hac s SER 583 Ca 0.00 1.53 0.03 0.00 0.48 0.00 0.00 55.95 58.00 3hac s SER 583 Cb 0.00 -2.40 0.07 0.00 0.10 0.00 0.00 66.02 63.79 3hac s SER 583 CO 0.00 -1.49 0.81 -0.83 0.98 0.00 0.00 173.24 172.71 3hac s GLY 584 N -3.86 1.81 -0.98 7.32 0.00 0.03 -3.68 107.32 107.96 3hac s GLY 584 Ca 0.58 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.64 3hac s GLY 584 CO 0.55 -1.27 0.00 -1.72 0.00 0.00 0.00 173.10 170.65 3hac n TYR 585 N -2.40 0.00 -1.49 1.90 4.01 -1.26 -4.82 117.16 113.11 3hac n TYR 585 Ca 0.12 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.88 3hac n TYR 585 Cb 0.60 -1.96 0.03 0.00 -0.31 0.00 0.00 39.34 37.71 3hac n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3hac n GLN 586 N -2.25 0.51 0.00 -0.72 6.02 -1.26 -4.43 117.38 115.24 3hac n GLN 586 Ca -0.09 -1.33 0.00 0.00 -0.01 0.00 0.00 57.00 55.57 3hac n GLN 586 Cb 0.36 -0.77 0.00 0.00 1.02 0.00 0.00 30.24 30.85 3hac n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hac n GLY 587 N -0.38 1.46 0.16 1.08 0.00 -1.26 -4.64 105.19 101.61 3hac n GLY 587 Ca 0.04 -1.82 0.02 0.00 0.00 0.00 0.00 46.02 44.26 3hac n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hac h ASP 588 N 0.00 0.00 -0.80 1.61 3.32 -0.78 -1.73 116.42 118.04 3hac h ASP 588 Ca 0.00 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.12 3hac h ASP 588 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 3hac h ASP 588 CO 0.00 0.52 0.48 0.50 -1.72 0.00 0.00 179.24 179.01 3hac h LYS 589 N 0.00 0.83 0.01 3.56 3.64 -1.87 0.29 116.57 123.03 3hac h LYS 589 Ca -0.01 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3hac h LYS 589 Cb 1.03 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3hac h LYS 589 CO 0.07 0.55 -0.18 0.82 -2.27 0.00 0.00 179.45 178.44 3hac h ILE 590 N 0.85 1.60 -0.34 2.00 2.04 -1.80 -3.27 117.51 118.60 3hac h ILE 590 Ca 0.36 -2.01 -0.05 0.00 1.00 0.00 0.00 64.86 64.15 3hac h ILE 590 Cb 0.22 2.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 3hac h ILE 590 CO -0.19 0.54 0.01 -0.03 0.00 0.00 0.00 178.15 178.48 3hac h MET 591 N -0.64 0.60 -0.03 2.37 4.05 -0.99 0.16 114.93 120.45 3hac h MET 591 Ca -0.02 -0.19 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 3hac h MET 591 Cb 0.98 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.73 3hac h MET 591 CO 0.03 0.72 0.00 0.72 0.23 0.00 0.00 176.91 178.61 3hac n HIS 592 N -4.52 0.04 0.26 1.39 8.25 0.98 -3.96 115.22 117.66 3hac n HIS 592 Ca -0.02 -0.02 0.11 0.00 -0.26 0.00 0.00 57.72 57.53 3hac n HIS 592 Cb 0.26 0.00 0.72 0.00 1.12 0.00 0.00 29.99 32.09 3hac n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hac h ALA 593 N 3.61 1.61 -0.68 -1.41 0.00 -1.55 -1.66 119.26 119.19 3hac h ALA 593 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hac h ALA 593 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hac h ALA 593 CO 0.00 0.09 0.00 0.44 0.00 0.00 0.00 179.25 179.78 3hac n ILE 594 N -4.06 1.09 -1.65 0.00 -5.35 -1.25 -4.93 119.36 103.22 3hac n ILE 594 Ca -0.03 -0.96 -0.53 0.00 -0.27 0.00 0.00 62.75 60.96 3hac n ILE 594 Cb 0.16 0.38 -0.06 0.00 -1.74 0.00 0.00 39.64 38.38 3hac n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3hac n ASN 595 N 1.43 2.16 -0.46 7.28 4.05 -0.63 -0.74 115.26 128.35 3hac n ASN 595 Ca 0.23 1.09 -0.06 0.00 0.45 0.00 0.00 54.58 56.29 3hac n ASN 595 Cb 0.64 -1.20 -0.03 0.00 1.23 0.00 0.00 39.78 40.42 3hac n ASN 595 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3hac n ARG 596 N 3.98 -1.73 -2.68 1.20 1.74 0.27 -4.84 116.66 114.60 3hac n ARG 596 Ca 0.22 0.69 -0.08 0.00 -0.77 0.00 0.00 57.85 57.91 3hac n ARG 596 Cb 0.18 -5.09 0.05 0.00 -1.02 0.00 0.00 32.46 26.59 3hac n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hac n ARG 597 N -0.19 1.20 -1.76 5.56 5.12 0.08 -4.89 116.66 121.77 3hac n ARG 597 Ca -0.06 -2.90 -0.38 0.00 -1.93 0.00 0.00 57.85 52.58 3hac n ARG 597 Cb 0.53 -0.96 0.06 0.00 -1.16 0.00 0.00 32.46 30.92 3hac n ARG 597 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3hac s LEU 598 N -3.21 3.71 -0.29 0.55 1.43 -1.22 -3.06 118.68 116.59 3hac s LEU 598 Ca 0.25 2.70 0.00 0.00 -1.03 0.00 0.00 54.13 56.06 3hac s LEU 598 Cb 0.44 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 42.21 3hac s LEU 598 CO 0.00 -1.80 0.00 0.61 0.23 0.00 0.00 176.35 175.39 3hac n GLY 599 N 0.81 0.51 0.00 -3.19 0.00 -1.26 -4.87 105.19 97.19 3hac n GLY 599 Ca 0.13 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3hac n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hac n THR 600 N -3.21 0.00 -0.23 2.61 -2.24 -1.17 -4.82 114.28 105.22 3hac n THR 600 Ca -0.03 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.73 3hac n THR 600 Cb 0.21 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 68.61 3hac n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3hac h PHE 601 N 0.00 1.02 -0.04 4.78 0.04 -1.92 -1.04 116.94 119.78 3hac h PHE 601 Ca 0.00 -0.04 -0.07 0.00 2.80 0.00 0.00 57.97 60.66 3hac h PHE 601 Cb 0.00 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.82 3hac h PHE 601 CO 0.00 0.74 -0.32 1.05 -0.60 0.00 0.00 178.31 179.18 3hac h GLU 602 N 1.03 0.08 0.14 1.51 9.09 -1.90 0.33 114.58 124.85 3hac h GLU 602 Ca 0.25 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 59.63 3hac h GLU 602 Cb 0.09 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.18 3hac h GLU 602 CO -0.03 0.39 -0.07 0.28 0.05 0.00 0.00 179.01 179.63 3hac h VAL 603 N 0.07 0.96 -0.98 -1.06 2.07 -1.62 -3.16 116.25 112.52 3hac h VAL 603 Ca 0.01 -1.15 0.11 0.00 0.82 0.00 0.00 66.70 66.50 3hac h VAL 603 Cb 0.61 1.59 -0.08 0.00 -1.52 0.00 0.00 31.29 31.88 3hac h VAL 603 CO 0.04 0.24 0.61 -0.33 0.02 0.00 0.00 177.57 178.16 3hac h GLU 604 N -0.80 0.95 0.00 1.57 5.08 -1.07 -2.34 114.58 117.97 3hac h GLU 604 Ca -0.02 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 3hac h GLU 604 Cb 0.54 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3hac h GLU 604 CO 0.03 0.63 -0.36 -0.44 -1.00 0.00 0.00 179.01 177.87 3hac h ASP 605 N 0.98 0.00 -0.41 1.42 3.32 -1.02 0.32 116.42 121.03 3hac h ASP 605 Ca 0.48 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.44 3hac h ASP 605 Cb 0.46 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3hac h ASP 605 CO -0.26 0.36 -0.10 1.56 -1.72 0.00 0.00 179.24 179.09 3hac h GLN 606 N 0.00 0.79 0.11 3.56 1.08 -1.39 0.34 115.11 119.60 3hac h GLN 606 Ca -0.00 -0.30 -0.01 0.00 -1.45 0.00 0.00 58.65 56.89 3hac h GLN 606 Cb 0.65 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 3hac h GLN 606 CO 0.05 0.92 -0.05 0.82 -0.95 0.00 0.00 178.83 179.61 3hac h ILE 607 N 0.61 0.92 -1.00 2.54 2.04 -1.20 -2.20 117.51 119.22 3hac h ILE 607 Ca 0.11 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.87 3hac h ILE 607 Cb 0.62 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 3hac h ILE 607 CO 0.04 0.03 0.66 -0.08 0.00 0.00 0.00 178.15 178.80 3hac h GLU 608 N -0.21 1.26 -0.41 2.37 4.57 -0.91 -1.50 114.58 119.74 3hac h GLU 608 Ca -0.02 -0.08 0.07 0.00 -1.18 0.00 0.00 59.36 58.16 3hac h GLU 608 Cb 0.17 -0.28 -0.06 0.00 -0.16 0.00 0.00 28.75 28.42 3hac h GLU 608 CO 0.03 0.83 0.07 0.00 -1.18 0.00 0.00 179.01 178.76 3hac h ALA 609 N 1.40 0.44 -0.89 2.92 0.00 -0.76 -0.29 119.26 122.08 3hac h ALA 609 Ca 0.39 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 3hac h ALA 609 Cb -0.05 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3hac h ALA 609 CO -0.11 -0.33 0.50 0.00 0.00 0.00 0.00 179.25 179.31 3hac h ALA 610 N 1.32 1.15 -0.62 0.00 0.00 -0.81 -0.17 119.26 120.14 3hac h ALA 610 Ca 0.20 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3hac h ALA 610 Cb 0.25 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3hac h ALA 610 CO -0.27 0.64 0.37 0.00 0.00 0.00 0.00 179.25 179.98 3hac h ARG 611 N 1.25 0.69 -0.53 0.00 3.08 -0.72 -2.17 114.38 115.97 3hac h ARG 611 Ca 0.32 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.23 3hac h ARG 611 Cb 0.01 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3hac h ARG 611 CO -0.05 0.45 -0.05 1.96 -1.07 0.00 0.00 179.97 181.21 3hac h GLN 612 N 0.71 0.95 -0.69 0.04 1.08 -0.61 -2.58 115.11 114.00 3hac h GLN 612 Ca 0.26 -0.31 -0.06 0.00 -1.45 0.00 0.00 58.65 57.09 3hac h GLN 612 Cb 0.07 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 3hac h GLN 612 CO -0.13 0.96 0.20 0.74 -0.95 0.00 0.00 178.83 179.66 3hac h PHE 613 N 0.86 1.12 -0.23 2.96 0.04 -0.83 -2.76 116.94 118.10 3hac h PHE 613 Ca 0.15 -0.11 0.04 0.00 2.80 0.00 0.00 57.97 60.85 3hac h PHE 613 Cb 0.58 -0.32 -0.04 0.00 2.20 0.00 0.00 35.95 38.36 3hac h PHE 613 CO 0.04 0.90 -0.01 0.77 -0.60 0.00 0.00 178.31 179.40 3hac h SER 614 N 1.04 -0.12 -0.33 2.17 0.02 -1.27 -2.45 113.55 112.62 3hac h SER 614 Ca 0.22 0.06 0.09 0.00 -0.84 0.00 0.00 61.79 61.32 3hac h SER 614 Cb 0.32 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3hac h SER 614 CO -0.00 -0.03 0.43 0.11 -1.14 0.00 0.00 176.83 176.19 3hac h LYS 615 N 0.06 0.00 0.00 3.45 1.57 -1.18 -1.97 116.57 118.50 3hac h LYS 615 Ca 0.11 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3hac h LYS 615 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 3hac h LYS 615 CO -0.20 0.00 -0.05 0.52 -0.57 0.00 0.00 179.45 179.15 3hac h MET 616 N 0.00 0.00 0.00 3.15 2.86 -1.24 -3.47 114.93 116.23 3hac h MET 616 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3hac h MET 616 Cb 1.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.67 3hac h MET 616 CO -0.00 0.05 0.00 0.41 1.06 0.00 0.00 176.91 178.43 3hac n GLY 617 N 0.01 0.24 0.39 8.32 0.00 -0.74 -4.91 105.19 108.49 3hac n GLY 617 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 3hac n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3hac n PHE 618 N -2.00 0.35 -4.78 1.61 1.16 -1.26 -4.74 117.46 107.80 3hac n PHE 618 Ca 0.00 -0.97 -0.33 0.00 -1.87 0.00 0.00 57.45 54.28 3hac n PHE 618 Cb 0.00 -0.21 -0.16 0.00 -1.61 0.00 0.00 39.48 37.50 3hac n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3hac s VAL 619 N -2.87 2.56 -0.50 1.97 1.01 -1.26 -0.59 120.40 120.71 3hac s VAL 619 Ca 0.36 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 61.24 3hac s VAL 619 Cb 0.31 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.64 3hac s VAL 619 CO 0.05 0.53 1.53 -0.62 0.00 0.00 0.00 175.10 176.59 3hac s ASP 620 N 0.58 6.02 0.46 3.32 -1.08 0.57 -4.71 116.67 121.83 3hac s ASP 620 Ca -0.10 0.56 0.31 0.00 -0.52 0.00 0.00 52.55 52.80 3hac s ASP 620 Cb -0.16 -2.54 1.60 0.00 -1.46 0.00 0.00 42.92 40.36 3hac s ASP 620 CO 0.04 -1.74 1.95 -0.55 0.52 0.00 0.00 175.17 175.39 3hac h ASN 621 N 11.80 0.00 0.74 -0.34 7.08 -1.96 -0.75 115.58 132.15 3hac h ASN 621 Ca -0.28 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.94 3hac h ASN 621 Cb 1.12 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.36 3hac h ASN 621 CO 1.14 0.00 -0.28 0.29 -2.08 0.00 0.00 177.43 176.50 3hac n LYS 622 N -2.64 0.01 -3.17 4.14 5.02 -1.26 -4.34 118.16 115.92 3hac n LYS 622 Ca -0.01 0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.05 3hac n LYS 622 Cb 0.11 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 3hac n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hac n ARG 623 N -1.53 1.75 -4.04 1.97 1.74 -0.29 -4.79 116.66 111.46 3hac n ARG 623 Ca 0.06 -3.94 -0.35 0.00 -0.77 0.00 0.00 57.85 52.85 3hac n ARG 623 Cb 0.34 -1.82 -0.14 0.00 -1.02 0.00 0.00 32.46 29.82 3hac n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hac s ILE 624 N -2.65 3.36 0.42 0.55 1.01 -1.25 -1.39 121.20 121.25 3hac s ILE 624 Ca 0.41 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.62 3hac s ILE 624 Cb 0.25 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 3hac s ILE 624 CO -0.09 0.44 0.15 0.00 0.00 0.00 0.00 174.94 175.44 3hac s ALA 625 N 1.27 3.57 -0.10 9.38 0.00 0.23 -0.55 121.76 135.56 3hac s ALA 625 Ca 0.03 -2.02 -0.10 0.00 0.00 0.00 0.00 51.96 49.88 3hac s ALA 625 Cb -0.14 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.74 3hac s ALA 625 CO -0.02 -0.16 0.27 -1.50 0.00 0.00 0.00 175.76 174.35 3hac s ILE 626 N -2.65 -0.00 0.07 0.00 2.07 -0.92 -0.89 121.20 118.88 3hac s ILE 626 Ca 0.38 0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.48 3hac s ILE 626 Cb 0.05 -0.39 0.02 0.00 0.13 0.00 0.00 42.46 42.27 3hac s ILE 626 CO 0.21 0.00 0.32 -1.66 -1.91 0.00 0.00 174.94 171.89 3hac s TRP 627 N 0.15 -0.10 -0.05 3.50 1.48 -0.15 -1.42 118.94 122.35 3hac s TRP 627 Ca -0.00 -0.11 -0.31 0.00 -1.06 0.00 0.00 56.10 54.62 3hac s TRP 627 Cb -0.02 0.12 0.11 0.00 -1.16 0.00 0.00 33.47 32.52 3hac s TRP 627 CO 0.00 -0.56 1.09 0.20 -4.06 0.00 0.00 176.95 173.63 3hac s GLY 628 N -2.35 -0.36 0.01 3.67 0.00 -0.87 -0.62 107.32 106.81 3hac s GLY 628 Ca -0.02 1.04 0.07 0.00 0.00 0.00 0.00 44.72 45.81 3hac s GLY 628 CO -0.06 0.32 -0.21 0.86 0.00 0.00 0.00 173.10 174.00 3hac s TRP 629 N -2.76 1.87 0.00 1.90 -0.11 -1.26 -1.24 118.94 117.34 3hac s TRP 629 Ca 0.09 -0.36 0.00 0.00 1.22 0.00 0.00 56.10 57.05 3hac s TRP 629 Cb 0.00 -1.16 0.00 0.00 -1.50 0.00 0.00 33.47 30.81 3hac s TRP 629 CO -0.05 0.02 0.00 0.45 -4.62 0.00 0.00 176.95 172.76 3hac n SER 630 N 2.25 0.00 -0.21 5.86 2.88 -0.03 -0.38 113.62 123.99 3hac n SER 630 Ca -0.16 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.51 3hac n SER 630 Cb 0.53 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 64.42 3hac n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3hac h TYR 631 N 0.00 0.67 -0.02 0.66 5.03 -1.87 -0.56 116.97 120.88 3hac h TYR 631 Ca 0.00 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.28 3hac h TYR 631 Cb 0.00 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.06 3hac h TYR 631 CO 0.00 0.26 -0.22 0.78 -1.32 0.00 0.00 178.16 177.66 3hac h GLY 632 N 0.58 0.03 1.07 1.82 0.00 -0.67 -1.55 103.07 104.36 3hac h GLY 632 Ca 0.40 -0.02 -0.13 0.00 0.00 0.00 0.00 47.33 47.57 3hac h GLY 632 CO -0.15 0.02 -0.27 -1.33 0.00 0.00 0.00 176.54 174.80 3hac h GLY 633 N 0.70 0.97 0.92 4.60 0.00 -1.04 -0.51 103.07 108.71 3hac h GLY 633 Ca 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 47.33 46.42 3hac h GLY 633 CO 0.03 0.83 -0.02 -1.82 0.00 0.00 0.00 176.54 175.56 3hac h TYR 634 N 0.71 -0.05 -0.36 5.60 3.20 -0.94 -1.70 116.97 123.42 3hac h TYR 634 Ca 0.08 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 3hac h TYR 634 Cb 0.85 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 3hac h TYR 634 CO 0.06 -0.04 0.07 0.28 -1.64 0.00 0.00 178.16 176.89 3hac h VAL 635 N -0.03 1.23 -0.55 1.81 2.07 -1.25 -0.54 116.25 118.99 3hac h VAL 635 Ca 0.02 -0.81 0.11 0.00 0.82 0.00 0.00 66.70 66.84 3hac h VAL 635 Cb 0.05 1.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.81 3hac h VAL 635 CO -0.04 0.27 -0.01 0.74 0.02 0.00 0.00 177.57 178.55 3hac h THR 636 N 0.43 0.54 -0.46 2.57 2.02 -1.08 0.11 112.91 117.04 3hac h THR 636 Ca 0.11 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.18 3hac h THR 636 Cb 0.34 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3hac h THR 636 CO 0.00 0.02 0.02 0.28 0.37 0.00 0.00 175.52 176.21 3hac h SER 637 N 0.11 0.78 -0.57 4.18 0.02 -0.90 0.15 113.55 117.30 3hac h SER 637 Ca 0.28 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3hac h SER 637 Cb 0.44 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 3hac h SER 637 CO -0.48 0.88 0.35 0.24 -1.14 0.00 0.00 176.83 176.68 3hac h MET 638 N 0.65 0.78 -0.12 3.45 2.86 -0.71 0.19 114.93 122.03 3hac h MET 638 Ca 0.13 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3hac h MET 638 Cb 0.48 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3hac h MET 638 CO 0.02 0.56 0.06 0.28 1.06 0.00 0.00 176.91 178.89 3hac h VAL 639 N 0.77 1.09 0.00 -2.22 2.07 -0.52 -1.82 116.25 115.63 3hac h VAL 639 Ca 0.21 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3hac h VAL 639 Cb -0.02 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3hac h VAL 639 CO -0.04 0.08 -0.16 -0.07 0.02 0.00 0.00 177.57 177.40 3hac h LEU 640 N 0.09 0.00 -1.26 2.57 3.38 -0.45 -2.15 115.31 117.49 3hac h LEU 640 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hac h LEU 640 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hac h LEU 640 CO -0.01 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.30 3hac n GLY 641 N -0.89 0.47 0.19 0.83 0.00 0.03 -4.42 105.19 101.40 3hac n GLY 641 Ca -0.02 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.66 3hac n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hac h SER 642 N 2.49 0.00 0.00 1.61 4.64 -0.64 -3.43 113.55 118.22 3hac h SER 642 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hac h SER 642 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3hac h SER 642 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3hac n GLY 643 N 1.15 0.54 0.23 -0.77 0.00 -1.26 -4.96 105.19 100.11 3hac n GLY 643 Ca 0.04 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.01 3hac n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hac h SER 644 N 0.00 0.00 0.00 1.61 4.64 -1.91 -3.46 113.55 114.43 3hac h SER 644 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hac h SER 644 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hac h SER 644 CO 0.00 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 3hac n GLY 645 N -0.97 0.70 0.12 -0.77 0.00 -1.26 -4.88 105.19 98.13 3hac n GLY 645 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 3hac n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hac h VAL 646 N 0.00 1.48 -3.28 1.61 2.07 -1.96 -3.45 116.25 112.72 3hac h VAL 646 Ca 0.00 -2.85 -0.63 0.00 0.82 0.00 0.00 66.70 64.05 3hac h VAL 646 Cb 0.04 2.74 -0.17 0.00 -1.52 0.00 0.00 31.29 32.38 3hac h VAL 646 CO 0.00 0.84 -0.59 -0.36 0.02 0.00 0.00 177.57 177.47 3hac s PHE 647 N -2.89 3.19 0.08 1.57 0.08 -1.26 -4.58 117.98 114.17 3hac s PHE 647 Ca -0.04 -0.02 -0.15 0.00 0.12 0.00 0.00 56.93 56.84 3hac s PHE 647 Cb 0.08 -2.02 -0.15 0.00 -0.57 0.00 0.00 43.02 40.35 3hac s PHE 647 CO 0.87 0.13 1.29 -0.22 -0.10 0.00 0.00 175.22 177.19 3hac h LYS 648 N 6.58 0.68 -3.43 0.44 3.64 -1.13 -3.46 116.57 119.89 3hac h LYS 648 Ca -0.36 -0.52 -0.03 0.00 -1.27 0.00 0.00 60.65 58.46 3hac h LYS 648 Cb 1.18 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 32.99 3hac h LYS 648 CO 0.67 1.14 -0.04 0.00 -2.27 0.00 0.00 179.45 178.95 3hac s GLY 650 N -2.91 -0.55 -0.12 0.00 0.00 -0.13 -2.16 107.32 101.46 3hac s GLY 650 Ca 0.12 0.66 0.01 0.00 0.00 0.00 0.00 44.72 45.51 3hac s GLY 650 CO -0.01 0.22 -0.12 -0.42 0.00 0.00 0.00 173.10 172.76 3hac s ILE 651 N -3.52 1.35 -0.20 0.90 1.01 -0.51 -1.44 121.20 118.79 3hac s ILE 651 Ca 0.03 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 3hac s ILE 651 Cb -0.01 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 3hac s ILE 651 CO -0.11 0.42 -0.01 0.00 0.00 0.00 0.00 174.94 175.24 3hac s ALA 652 N 1.29 3.00 -0.18 9.38 0.00 -0.32 -2.04 121.76 132.87 3hac s ALA 652 Ca -0.01 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 3hac s ALA 652 Cb -0.14 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 3hac s ALA 652 CO -0.05 -0.14 -0.06 0.08 0.00 0.00 0.00 175.76 175.59 3hac s VAL 653 N 0.98 3.46 -1.41 0.00 1.01 -0.37 -1.36 120.40 122.71 3hac s VAL 653 Ca 0.01 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 3hac s VAL 653 Cb -0.14 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.70 3hac s VAL 653 CO 0.01 0.46 0.34 0.00 0.00 0.00 0.00 175.10 175.91 3hac n ALA 654 N 4.20 -2.13 -1.79 5.51 0.00 0.10 -0.85 120.51 125.57 3hac n ALA 654 Ca -0.18 -0.35 -0.35 0.00 0.00 0.00 0.00 53.44 52.56 3hac n ALA 654 Cb 0.52 -1.61 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 3hac n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hac s PRO 655 N -6.88 3.92 0.30 0.00 0.04 -1.26 -3.41 135.00 127.70 3hac s PRO 655 Ca 0.10 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 62.28 3hac s PRO 655 Cb -0.04 -2.26 -0.10 0.00 0.04 0.00 0.00 34.50 32.14 3hac s PRO 655 CO 0.93 -0.34 1.32 0.08 0.04 0.00 0.00 177.00 179.03 3hac s VAL 656 N -1.85 2.81 -0.00 -0.36 1.01 -1.25 -4.47 120.40 116.29 3hac s VAL 656 Ca 0.64 0.77 0.02 0.00 0.00 0.00 0.00 61.98 63.41 3hac s VAL 656 Cb -0.19 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 3hac s VAL 656 CO 0.23 0.16 0.03 -1.54 0.00 0.00 0.00 175.10 173.99 3hac n SER 657 N 1.34 4.59 -3.66 3.32 3.41 -1.26 -4.07 113.62 117.29 3hac n SER 657 Ca 0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.56 3hac n SER 657 Cb 0.42 1.00 -0.08 0.00 -0.26 0.00 0.00 64.21 65.29 3hac n SER 657 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3hac s ARG 658 N -2.11 0.52 0.48 4.33 3.52 -1.26 -0.31 118.95 124.11 3hac s ARG 658 Ca -0.01 1.15 0.15 0.00 -0.13 0.00 0.00 55.73 56.89 3hac s ARG 658 Cb 0.01 0.33 1.12 0.00 -1.56 0.00 0.00 34.95 34.85 3hac s ARG 658 CO 0.07 -0.19 2.06 -1.49 -0.81 0.00 0.00 175.30 174.95 3hac h TRP 659 N 7.54 0.01 0.00 5.12 4.06 -1.86 -1.25 115.95 129.57 3hac h TRP 659 Ca -0.25 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.70 3hac h TRP 659 Cb 1.16 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 3hac h TRP 659 CO 0.17 0.11 0.00 0.93 -3.56 0.00 0.00 178.44 176.09 3hac h GLU 660 N 0.01 0.00 0.00 0.49 5.08 -1.91 -2.03 114.58 116.22 3hac h GLU 660 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hac h GLU 660 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3hac h GLU 660 CO 0.01 0.00 -0.56 1.88 -1.00 0.00 0.00 179.01 179.34 3hac h TYR 661 N 0.00 0.00 -2.75 4.33 0.05 -1.60 -3.29 116.97 113.72 3hac h TYR 661 Ca 0.00 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.33 3hac h TYR 661 Cb 0.12 0.00 0.04 0.00 1.01 0.00 0.00 36.73 37.90 3hac h TYR 661 CO 0.00 0.00 -0.03 -0.47 -1.05 0.00 0.00 178.16 176.61 3hac s TYR 662 N -3.23 3.02 0.63 4.88 5.04 -0.76 -4.82 117.35 122.10 3hac s TYR 662 Ca 0.05 0.14 -0.16 0.00 -2.44 0.00 0.00 57.07 54.66 3hac s TYR 662 Cb 0.10 -2.62 -0.01 0.00 0.35 0.00 0.00 41.96 39.77 3hac s TYR 662 CO 0.72 -0.72 1.12 0.16 -1.34 0.00 0.00 175.55 175.48 3hac s ASP 663 N -4.35 5.26 0.11 4.32 1.47 -1.26 -1.22 116.67 120.99 3hac s ASP 663 Ca 0.54 2.05 -0.23 0.00 1.18 0.00 0.00 52.55 56.09 3hac s ASP 663 Cb -0.10 -2.56 -0.09 0.00 -0.34 0.00 0.00 42.92 39.83 3hac s ASP 663 CO 0.39 -1.53 1.71 0.77 0.68 0.00 0.00 175.17 177.19 3hac h SER 664 N 0.32 -0.18 0.11 2.11 4.64 -0.99 -2.29 113.55 117.27 3hac h SER 664 Ca -0.48 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 3hac h SER 664 Cb 1.25 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3hac h SER 664 CO 0.55 -0.09 -0.05 0.58 -0.87 0.00 0.00 176.83 176.95 3hac h VAL 665 N -0.09 0.93 0.26 0.95 2.07 -1.93 0.21 116.25 118.65 3hac h VAL 665 Ca 0.04 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3hac h VAL 665 Cb 0.14 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3hac h VAL 665 CO -0.09 0.04 -0.13 0.22 0.02 0.00 0.00 177.57 177.63 3hac h TYR 666 N -0.22 -0.33 -0.08 1.57 5.03 -1.92 -3.07 116.97 117.96 3hac h TYR 666 Ca -0.02 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.28 3hac h TYR 666 Cb 0.18 0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.56 3hac h TYR 666 CO -0.05 -0.02 0.03 1.15 -1.32 0.00 0.00 178.16 177.96 3hac h THR 667 N -0.64 1.12 0.00 1.81 2.02 -1.26 -2.73 112.91 113.24 3hac h THR 667 Ca -0.04 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 3hac h THR 667 Cb 0.45 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 3hac h THR 667 CO 0.06 0.10 -0.13 -0.33 0.37 0.00 0.00 175.52 175.59 3hac h GLU 668 N -0.02 0.00 -0.95 6.66 5.08 -1.08 0.89 114.58 125.16 3hac h GLU 668 Ca 0.03 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 3hac h GLU 668 Cb 0.14 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 3hac h GLU 668 CO -0.00 0.13 0.59 -0.09 -1.00 0.00 0.00 179.01 178.65 3hac h ARG 669 N 0.00 0.98 0.00 2.33 2.43 -1.38 0.78 114.38 119.53 3hac h ARG 669 Ca -0.00 -0.06 -0.29 0.00 -0.81 0.00 0.00 59.98 58.82 3hac h ARG 669 Cb 0.46 -0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 3hac h ARG 669 CO 0.02 0.65 -2.23 0.66 -1.51 0.00 0.00 179.97 177.55 3hac n TYR 670 N -4.61 0.00 0.55 2.20 4.01 -1.00 -4.55 117.16 113.76 3hac n TYR 670 Ca 0.16 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.96 3hac n TYR 670 Cb 0.26 -0.86 -0.05 0.00 -0.31 0.00 0.00 39.34 38.39 3hac n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3hac n MET 671 N -2.62 2.78 0.00 -0.72 2.81 0.27 0.98 117.12 120.62 3hac n MET 671 Ca -0.27 -0.21 0.00 0.00 -1.81 0.00 0.00 57.70 55.41 3hac n MET 671 Cb 1.02 -1.08 0.00 0.00 -0.71 0.00 0.00 33.22 32.45 3hac n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hac n GLY 672 N 1.19 0.84 3.89 3.03 0.00 0.26 -4.66 105.19 109.74 3hac n GLY 672 Ca 0.03 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 3hac n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hac s LEU 673 N 0.00 4.38 -1.07 0.99 1.43 -1.26 -4.24 118.68 118.91 3hac s LEU 673 Ca 0.00 0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 53.44 3hac s LEU 673 Cb 0.00 -2.40 -0.14 0.00 0.03 0.00 0.00 46.19 43.68 3hac s LEU 673 CO 0.00 0.32 3.07 -0.81 0.23 0.00 0.00 176.35 179.16 3hac n PRO 674 N 1.39 3.03 -4.41 1.29 -0.04 -1.26 -1.79 135.00 133.21 3hac n PRO 674 Ca -0.15 -1.76 -0.27 0.00 -0.04 0.00 0.00 63.50 61.28 3hac n PRO 674 Cb 0.54 -2.52 -0.12 0.00 -0.04 0.00 0.00 33.50 31.36 3hac n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hac s THR 675 N 1.92 2.40 0.44 0.52 -4.23 -1.26 -4.63 115.64 110.80 3hac s THR 675 Ca 0.66 -1.94 0.16 0.00 -1.18 0.00 0.00 61.69 59.39 3hac s THR 675 Cb 0.21 -2.13 0.35 0.00 1.34 0.00 0.00 72.50 72.27 3hac s THR 675 CO -0.04 -0.07 1.94 -0.65 -0.54 0.00 0.00 174.62 175.26 3hac h PRO 676 N 3.33 0.37 0.00 3.99 0.11 -1.96 -1.09 132.00 136.75 3hac h PRO 676 Ca -0.47 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3hac h PRO 676 Cb 1.20 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3hac h PRO 676 CO 0.46 0.24 -0.17 0.93 -0.21 0.00 0.00 178.00 179.26 3hac h GLU 677 N 0.38 0.00 0.00 1.05 3.07 -1.95 -3.43 114.58 113.69 3hac h GLU 677 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 3hac h GLU 677 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 3hac h GLU 677 CO -0.10 0.17 0.00 -3.47 -1.40 0.00 0.00 179.01 174.21 3hac n ASP 678 N -3.25 0.00 -0.56 1.42 -0.08 -0.51 -5.02 116.55 108.54 3hac n ASP 678 Ca 0.01 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.34 3hac n ASP 678 Cb 0.46 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.99 3hac n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3hac n ASN 679 N 0.00 1.10 -0.32 1.67 5.15 -0.74 -4.85 115.26 117.27 3hac n ASN 679 Ca 0.00 -2.58 0.06 0.00 -0.60 0.00 0.00 54.58 51.46 3hac n ASN 679 Cb 0.00 -0.33 0.21 0.00 -0.53 0.00 0.00 39.78 39.13 3hac n ASN 679 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3hac h LEU 680 N 0.31 0.76 -0.59 1.20 5.85 -1.37 -2.38 115.31 119.09 3hac h LEU 680 Ca -0.04 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3hac h LEU 680 Cb 1.32 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 3hac h LEU 680 CO 0.02 0.39 0.27 0.44 -0.34 0.00 0.00 178.44 179.22 3hac h ASP 681 N 0.84 0.34 -0.05 1.25 3.32 -1.89 -1.01 116.42 119.23 3hac h ASP 681 Ca 0.46 0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.39 3hac h ASP 681 Cb 0.49 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3hac h ASP 681 CO -0.28 0.22 -0.53 -0.74 -1.72 0.00 0.00 179.24 176.19 3hac h HIS 682 N 0.50 0.78 -0.82 4.55 2.76 -1.81 -1.59 115.15 119.51 3hac h HIS 682 Ca 0.28 -0.27 0.14 0.00 -2.20 0.00 0.00 60.37 58.32 3hac h HIS 682 Cb 0.26 -0.15 -0.09 0.00 1.55 0.00 0.00 27.41 28.98 3hac h HIS 682 CO -0.12 1.02 0.41 1.88 -1.30 0.00 0.00 177.93 179.82 3hac h TYR 683 N 0.48 0.72 0.00 5.26 0.05 -0.99 -2.17 116.97 120.33 3hac h TYR 683 Ca 0.01 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.76 3hac h TYR 683 Cb 1.09 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.62 3hac h TYR 683 CO 0.05 0.17 -0.34 0.00 -1.05 0.00 0.00 178.16 176.99 3hac h ARG 684 N 0.60 0.00 0.00 4.88 2.47 -0.97 -3.30 114.38 118.06 3hac h ARG 684 Ca 0.44 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.16 3hac h ARG 684 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 3hac h ARG 684 CO -0.36 0.34 -0.44 -1.71 0.56 0.00 0.00 179.97 178.37 3hac n ASN 685 N -3.22 0.50 -1.22 7.04 4.05 -0.62 -4.19 115.26 117.60 3hac n ASN 685 Ca 0.02 0.03 -0.06 0.00 0.45 0.00 0.00 54.58 55.02 3hac n ASN 685 Cb 0.64 0.05 0.19 0.00 1.23 0.00 0.00 39.78 41.89 3hac n ASN 685 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 3hac n SER 686 N -1.73 2.61 -4.92 1.20 3.41 -0.91 -5.01 113.62 108.27 3hac n SER 686 Ca 0.05 -3.80 -0.29 0.00 -0.26 0.00 0.00 58.87 54.57 3hac n SER 686 Cb 0.37 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.65 3hac n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3hac s THR 687 N -3.34 5.17 0.17 6.66 -4.23 -1.26 -4.76 115.64 114.06 3hac s THR 687 Ca 0.45 -0.21 -0.10 0.00 -1.18 0.00 0.00 61.69 60.65 3hac s THR 687 Cb 0.41 -3.70 0.04 0.00 1.34 0.00 0.00 72.50 70.59 3hac s THR 687 CO -0.01 -0.13 1.60 0.58 -0.54 0.00 0.00 174.62 176.13 3hac h VAL 688 N 1.66 1.27 -0.79 2.29 2.07 -1.01 -3.27 116.25 118.47 3hac h VAL 688 Ca -0.47 -1.21 0.11 0.00 0.82 0.00 0.00 66.70 65.95 3hac h VAL 688 Cb 1.18 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 3hac h VAL 688 CO 0.69 0.43 0.51 0.24 0.02 0.00 0.00 177.57 179.47 3hac h MET 689 N 0.89 0.64 0.00 1.57 2.86 -1.92 -0.94 114.93 118.04 3hac h MET 689 Ca 0.15 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3hac h MET 689 Cb 0.62 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.14 3hac h MET 689 CO 0.04 0.43 0.00 -1.13 1.06 0.00 0.00 176.91 177.31 3hac n SER 690 N -4.51 0.34 -1.18 1.22 3.41 -1.23 -2.21 113.62 109.46 3hac n SER 690 Ca 0.14 0.60 0.10 0.00 -0.26 0.00 0.00 58.87 59.44 3hac n SER 690 Cb 0.37 -0.66 0.28 0.00 -0.26 0.00 0.00 64.21 63.94 3hac n SER 690 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hac n ARG 691 N -1.89 2.88 -0.24 4.33 1.74 -0.36 -4.75 116.66 118.37 3hac n ARG 691 Ca 0.02 -2.53 0.04 0.00 -0.77 0.00 0.00 57.85 54.62 3hac n ARG 691 Cb 0.16 -1.53 0.17 0.00 -1.02 0.00 0.00 32.46 30.24 3hac n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hac h ALA 692 N 3.61 0.93 -0.54 7.54 0.00 -1.53 -1.01 119.26 128.26 3hac h ALA 692 Ca 0.00 0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.16 3hac h ALA 692 Cb 0.97 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3hac h ALA 692 CO 0.03 -0.30 0.37 1.49 0.00 0.00 0.00 179.25 180.83 3hac h GLU 693 N 0.31 0.30 0.00 0.00 4.57 -1.86 -1.77 114.58 116.13 3hac h GLU 693 Ca 0.39 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 3hac h GLU 693 Cb 0.64 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 3hac h GLU 693 CO -0.46 0.20 0.00 -0.91 -1.18 0.00 0.00 179.01 176.66 3hac h ASN 694 N 0.31 0.00 0.41 1.04 -0.26 -1.44 -2.90 115.58 112.74 3hac h ASN 694 Ca 0.25 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.99 3hac h ASN 694 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 3hac h ASN 694 CO -0.06 0.00 0.00 0.49 -1.06 0.00 0.00 177.43 176.80 3hac n PHE 695 N -2.86 0.47 0.34 1.19 3.72 -0.66 -1.85 117.46 117.80 3hac n PHE 695 Ca 0.02 0.21 0.22 0.00 -0.05 0.00 0.00 57.45 57.84 3hac n PHE 695 Cb 0.33 -0.83 1.19 0.00 -0.94 0.00 0.00 39.48 39.22 3hac n PHE 695 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3hac h LYS 696 N 0.00 0.00 -0.00 -1.08 1.57 -1.68 -2.56 116.57 112.82 3hac h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hac h LYS 696 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3hac h LYS 696 CO 0.00 0.00 -0.28 1.04 -0.57 0.00 0.00 179.45 179.64 3hac n GLN 697 N -3.13 0.52 -4.20 3.15 6.02 -0.77 -4.96 117.38 114.01 3hac n GLN 697 Ca -0.03 -0.27 -0.12 0.00 -0.01 0.00 0.00 57.00 56.57 3hac n GLN 697 Cb 0.09 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.75 3hac n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3hac s VAL 698 N -2.66 0.66 -0.22 5.09 -7.23 -0.96 -4.94 120.40 110.12 3hac s VAL 698 Ca 0.21 -1.95 -0.14 0.00 -1.81 0.00 0.00 61.98 58.29 3hac s VAL 698 Cb 0.19 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 3hac s VAL 698 CO 0.56 -0.69 0.31 -1.61 -0.31 0.00 0.00 175.10 173.37 3hac s GLU 699 N -3.88 4.11 -0.03 4.82 2.02 -0.89 -4.97 118.70 119.88 3hac s GLU 699 Ca 0.18 0.01 0.06 0.00 0.02 0.00 0.00 54.97 55.24 3hac s GLU 699 Cb 0.06 -3.56 -0.01 0.00 0.10 0.00 0.00 34.13 30.72 3hac s GLU 699 CO -0.01 -0.04 -0.21 -0.47 0.02 0.00 0.00 175.26 174.55 3hac s TYR 700 N 1.34 1.93 -0.14 1.61 5.04 -1.26 -0.96 117.35 124.90 3hac s TYR 700 Ca 0.14 -0.44 0.01 0.00 -2.44 0.00 0.00 57.07 54.35 3hac s TYR 700 Cb -0.14 -1.26 0.02 0.00 0.35 0.00 0.00 41.96 40.93 3hac s TYR 700 CO 0.07 -0.09 -0.17 -1.17 -1.34 0.00 0.00 175.55 172.86 3hac s LEU 701 N -0.33 1.85 -0.16 6.97 2.96 -0.52 -0.77 118.68 128.68 3hac s LEU 701 Ca 0.04 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.41 3hac s LEU 701 Cb -0.10 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 3hac s LEU 701 CO 0.00 -0.01 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.71 3hac s LEU 702 N 1.23 2.78 -0.02 -0.68 2.96 -0.36 -1.18 118.68 123.41 3hac s LEU 702 Ca 0.00 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 3hac s LEU 702 Cb -0.14 -1.66 0.00 0.00 0.50 0.00 0.00 46.19 44.90 3hac s LEU 702 CO -0.08 0.10 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.36 3hac s ILE 703 N 0.73 0.57 -0.17 6.68 1.01 -0.47 -1.62 121.20 127.94 3hac s ILE 703 Ca -0.05 -0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.17 3hac s ILE 703 Cb -0.15 -0.52 0.05 0.00 0.01 0.00 0.00 42.46 41.85 3hac s ILE 703 CO 0.02 0.19 0.51 -2.28 0.00 0.00 0.00 174.94 173.37 3hac s HIS 704 N 0.19 -0.54 0.14 3.97 2.46 -1.00 0.03 115.29 120.54 3hac s HIS 704 Ca -0.02 1.27 -0.26 0.00 0.47 0.00 0.00 55.06 56.51 3hac s HIS 704 Cb -0.07 0.20 -0.07 0.00 -0.13 0.00 0.00 32.58 32.51 3hac s HIS 704 CO -0.00 -0.30 0.81 0.20 -2.47 0.00 0.00 174.74 172.97 3hac s GLY 705 N 0.05 2.91 0.50 1.59 0.00 -1.26 -1.19 107.32 109.92 3hac s GLY 705 Ca -0.02 0.38 0.29 0.00 0.00 0.00 0.00 44.72 45.38 3hac s GLY 705 CO 0.02 1.01 1.87 -0.91 0.00 0.00 0.00 173.10 175.09 3hac h THR 706 N 3.59 0.16 -0.75 0.90 1.35 -1.06 -3.00 112.91 114.09 3hac h THR 706 Ca -0.46 -0.78 -0.42 0.00 -0.55 0.00 0.00 66.41 64.20 3hac h THR 706 Cb 1.21 1.68 -0.24 0.00 -1.73 0.00 0.00 68.15 69.06 3hac h THR 706 CO 0.68 0.07 0.33 0.00 -0.25 0.00 0.00 175.52 176.34 3hac n ALA 707 N -2.13 5.21 -2.32 6.62 0.00 -0.26 -4.72 120.51 122.92 3hac n ALA 707 Ca 0.01 -3.13 -0.41 0.00 0.00 0.00 0.00 53.44 49.91 3hac n ALA 707 Cb 0.38 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 3hac n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hac s ASP 708 N -1.97 6.03 0.08 0.00 -1.08 -1.13 -4.20 116.67 114.40 3hac s ASP 708 Ca 0.53 0.42 0.27 0.00 -0.52 0.00 0.00 52.55 53.25 3hac s ASP 708 Cb 0.45 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 40.41 3hac s ASP 708 CO 0.05 -1.76 1.83 -0.90 0.52 0.00 0.00 175.17 174.91 3hac n ASP 709 N 9.91 0.29 0.00 -0.34 5.75 -1.26 -3.93 116.55 126.98 3hac n ASP 709 Ca 0.14 0.53 0.00 0.00 -0.01 0.00 0.00 54.79 55.46 3hac n ASP 709 Cb 0.49 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 3hac n ASP 709 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3hac n ASN 710 N -1.78 0.00 -4.37 -1.12 2.85 -1.26 -4.76 115.26 104.82 3hac n ASN 710 Ca 0.06 0.04 -0.45 0.00 -0.11 0.00 0.00 54.58 54.12 3hac n ASN 710 Cb 0.35 -0.45 -0.05 0.00 1.24 0.00 0.00 39.78 40.86 3hac n ASN 710 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3hac s VAL 711 N -0.90 4.99 0.49 3.44 1.01 -1.26 -4.80 120.40 123.37 3hac s VAL 711 Ca 0.00 -1.04 -0.23 0.00 0.00 0.00 0.00 61.98 60.71 3hac s VAL 711 Cb 0.00 -4.36 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 3hac s VAL 711 CO 0.00 -0.92 1.30 -1.00 0.00 0.00 0.00 175.10 174.48 3hac s HIS 712 N 2.25 2.57 0.44 5.22 3.76 -1.25 -4.71 115.29 123.56 3hac s HIS 712 Ca 0.09 1.42 0.22 0.00 -0.15 0.00 0.00 55.06 56.63 3hac s HIS 712 Cb -0.25 -3.67 1.19 0.00 1.11 0.00 0.00 32.58 30.97 3hac s HIS 712 CO 0.07 -2.36 1.82 0.35 -0.85 0.00 0.00 174.74 173.77 3hac h PHE 713 N 1.92 0.47 -0.67 1.40 3.57 -1.80 0.11 116.94 121.94 3hac h PHE 713 Ca -0.50 0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.22 3hac h PHE 713 Cb 1.27 -0.14 -0.12 0.00 2.79 0.00 0.00 35.95 39.75 3hac h PHE 713 CO 0.50 0.08 0.11 0.94 -2.23 0.00 0.00 178.31 177.71 3hac n GLN 714 N -4.50 -0.05 -0.19 1.11 7.27 -1.26 -1.17 117.38 118.59 3hac n GLN 714 Ca 0.22 0.97 -0.07 0.00 0.07 0.00 0.00 57.00 58.20 3hac n GLN 714 Cb 0.87 -1.60 0.02 0.00 2.41 0.00 0.00 30.24 31.93 3hac n GLN 714 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 3hac h GLN 715 N 0.00 0.77 0.00 3.69 4.20 -1.09 -0.16 115.11 122.51 3hac h GLN 715 Ca 0.45 -0.10 -0.15 0.00 0.06 0.00 0.00 58.65 58.91 3hac h GLN 715 Cb 1.02 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 3hac h GLN 715 CO -0.59 0.61 -0.73 0.77 -0.67 0.00 0.00 178.83 178.22 3hac h SER 716 N 0.72 0.00 -0.47 1.46 0.02 -1.47 -2.86 113.55 110.96 3hac h SER 716 Ca 0.19 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3hac h SER 716 Cb 0.08 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3hac h SER 716 CO -0.03 0.73 0.25 0.00 -1.14 0.00 0.00 176.83 176.65 3hac h ALA 717 N 1.27 1.50 0.05 3.77 0.00 -0.77 -0.86 119.26 124.23 3hac h ALA 717 Ca -0.01 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 3hac h ALA 717 Cb 1.50 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3hac h ALA 717 CO 0.10 0.40 -1.05 1.96 0.00 0.00 0.00 179.25 180.66 3hac h GLN 718 N 0.70 0.18 0.09 0.00 1.08 -1.02 -2.62 115.11 113.52 3hac h GLN 718 Ca 0.18 -0.26 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3hac h GLN 718 Cb 0.05 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3hac h GLN 718 CO -0.03 1.07 -0.04 0.82 -0.95 0.00 0.00 178.83 179.70 3hac h ILE 719 N 0.07 0.97 -0.82 2.54 2.04 -1.23 -2.31 117.51 118.76 3hac h ILE 719 Ca -0.07 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.62 3hac h ILE 719 Cb 1.75 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.87 3hac h ILE 719 CO 0.16 0.04 0.54 0.77 0.00 0.00 0.00 178.15 179.66 3hac h SER 720 N -0.19 0.95 -0.61 1.72 4.64 -1.21 -1.40 113.55 117.44 3hac h SER 720 Ca -0.01 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 3hac h SER 720 Cb 0.16 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 3hac h SER 720 CO 0.02 0.69 0.16 0.50 -0.87 0.00 0.00 176.83 177.33 3hac h LYS 721 N 1.12 0.97 -0.85 4.77 3.64 -1.44 0.86 116.57 125.65 3hac h LYS 721 Ca 0.30 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3hac h LYS 721 Cb -0.12 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.53 3hac h LYS 721 CO -0.06 0.88 0.42 0.00 -2.27 0.00 0.00 179.45 178.41 3hac h ALA 722 N 1.05 1.09 -0.29 5.00 0.00 -1.07 -0.42 119.26 124.62 3hac h ALA 722 Ca 0.19 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3hac h ALA 722 Cb 0.34 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hac h ALA 722 CO -0.00 0.64 -0.10 -0.07 0.00 0.00 0.00 179.25 179.72 3hac h LEU 723 N 1.20 0.59 -0.62 0.00 3.38 -0.84 -2.82 115.31 116.19 3hac h LEU 723 Ca 0.29 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.94 3hac h LEU 723 Cb 0.10 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 3hac h LEU 723 CO -0.04 0.84 0.32 0.58 0.09 0.00 0.00 178.44 180.23 3hac h VAL 724 N 0.33 0.92 0.00 1.22 2.07 -0.71 -0.52 116.25 119.56 3hac h VAL 724 Ca 0.07 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 3hac h VAL 724 Cb 0.60 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3hac h VAL 724 CO 0.03 0.11 -0.13 0.44 0.02 0.00 0.00 177.57 178.04 3hac h ASP 725 N 0.58 0.00 -0.39 0.57 3.32 -0.89 -1.74 116.42 117.87 3hac h ASP 725 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3hac h ASP 725 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3hac h ASP 725 CO -0.21 0.13 0.00 1.33 -1.72 0.00 0.00 179.24 178.77 3hac n VAL 726 N -3.85 0.59 -2.85 -1.35 0.24 -1.08 -4.98 118.33 105.05 3hac n VAL 726 Ca -0.02 -0.80 -0.08 0.00 -2.04 0.00 0.00 64.34 61.40 3hac n VAL 726 Cb 0.23 0.88 0.03 0.00 -1.47 0.00 0.00 33.84 33.50 3hac n VAL 726 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hac n GLY 727 N 1.27 0.42 3.62 7.63 0.00 -0.66 -4.99 105.19 112.50 3hac n GLY 727 Ca 0.17 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 3hac n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hac s VAL 728 N -3.08 5.24 0.24 1.61 1.01 -0.25 -5.03 120.40 120.13 3hac s VAL 728 Ca 0.20 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 3hac s VAL 728 Cb -0.09 -3.46 -0.09 0.00 0.00 0.00 0.00 36.38 32.75 3hac s VAL 728 CO 0.24 0.32 0.95 -0.62 0.00 0.00 0.00 175.10 175.99 3hac s ASP 729 N 1.29 7.64 0.27 3.32 2.15 -1.26 -4.45 116.67 125.63 3hac s ASP 729 Ca 0.07 1.96 -0.15 0.00 0.43 0.00 0.00 52.55 54.85 3hac s ASP 729 Cb -0.14 -2.61 0.01 0.00 -0.30 0.00 0.00 42.92 39.87 3hac s ASP 729 CO 0.06 0.15 0.58 0.72 -0.17 0.00 0.00 175.17 176.52 3hac s PHE 730 N -1.17 0.18 0.04 -5.34 -0.71 -1.26 -4.76 117.98 104.96 3hac s PHE 730 Ca 0.41 -0.59 0.01 0.00 -1.04 0.00 0.00 56.93 55.72 3hac s PHE 730 Cb -0.26 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.91 3hac s PHE 730 CO 0.32 -1.12 0.11 -0.65 -1.34 0.00 0.00 175.22 172.54 3hac s GLN 731 N -3.83 3.11 0.04 1.99 -1.52 0.05 -5.03 119.66 114.46 3hac s GLN 731 Ca 0.18 -0.54 -0.00 0.00 -1.95 0.00 0.00 55.36 53.06 3hac s GLN 731 Cb -0.03 -2.87 -0.03 0.00 -0.22 0.00 0.00 33.01 29.86 3hac s GLN 731 CO 0.09 0.61 -0.03 0.00 -0.25 0.00 0.00 175.29 175.71 3hac s ALA 732 N -1.34 0.32 -0.24 6.09 0.00 -1.26 -1.23 121.76 124.11 3hac s ALA 732 Ca 0.28 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 51.27 3hac s ALA 732 Cb -0.12 0.19 0.10 0.00 0.00 0.00 0.00 23.12 23.29 3hac s ALA 732 CO 0.20 -0.24 0.53 1.41 0.00 0.00 0.00 175.76 177.66 3hac s MET 733 N -2.52 0.47 0.18 0.00 1.75 -0.64 -4.93 119.30 113.61 3hac s MET 733 Ca -0.06 1.15 -0.01 0.00 -1.25 0.00 0.00 55.69 55.53 3hac s MET 733 Cb -0.02 0.41 -0.04 0.00 2.84 0.00 0.00 34.83 38.01 3hac s MET 733 CO -0.05 -0.21 0.37 1.67 -0.65 0.00 0.00 175.02 176.16 3hac s TRP 734 N 2.36 3.48 -0.29 4.11 -2.14 -1.26 -2.38 118.94 122.82 3hac s TRP 734 Ca -0.06 0.32 0.03 0.00 2.66 0.00 0.00 56.10 59.06 3hac s TRP 734 Cb -0.10 -1.84 0.07 0.00 -3.10 0.00 0.00 33.47 28.50 3hac s TRP 734 CO -0.16 0.41 -0.05 0.71 -2.66 0.00 0.00 176.95 175.20 3hac s TYR 735 N -1.82 3.43 0.06 1.66 2.02 -0.34 -4.93 117.35 117.44 3hac s TYR 735 Ca 0.38 -2.52 -0.32 0.00 -0.37 0.00 0.00 57.07 54.24 3hac s TYR 735 Cb -0.11 -2.28 -0.11 0.00 -0.40 0.00 0.00 41.96 39.06 3hac s TYR 735 CO 0.29 -0.90 1.86 2.41 -1.57 0.00 0.00 175.55 177.63 3hac n THR 736 N 4.39 0.48 -1.08 -0.71 -1.04 -1.26 -1.10 114.28 113.94 3hac n THR 736 Ca -0.08 -0.09 -0.03 0.00 -2.04 0.00 0.00 64.05 61.81 3hac n THR 736 Cb 0.42 -2.07 -0.01 0.00 -1.82 0.00 0.00 70.33 66.85 3hac n THR 736 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3hac n ASP 737 N 6.11 -4.73 -4.87 8.00 8.00 -1.26 -4.86 116.55 122.93 3hac n ASP 737 Ca 0.19 0.07 -0.32 0.00 0.71 0.00 0.00 54.79 55.44 3hac n ASP 737 Cb 0.36 -2.49 -0.05 0.00 -0.02 0.00 0.00 41.12 38.91 3hac n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hac s GLU 738 N -1.63 3.82 0.00 -1.24 0.41 -1.06 -4.67 118.70 114.32 3hac s GLU 738 Ca 0.00 0.30 0.00 0.00 -0.41 0.00 0.00 54.97 54.86 3hac s GLU 738 Cb 0.00 -2.65 0.00 0.00 -1.78 0.00 0.00 34.13 29.70 3hac s GLU 738 CO 0.00 0.32 0.00 -0.40 -0.49 0.00 0.00 175.26 174.69 3hac n ASP 739 N -0.09 0.34 0.26 -0.19 3.85 -1.26 -1.10 116.55 118.35 3hac n ASP 739 Ca 0.00 0.00 0.11 0.00 -0.71 0.00 0.00 54.79 54.20 3hac n ASP 739 Cb 0.52 0.00 0.72 0.00 -1.35 0.00 0.00 41.12 41.01 3hac n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.01 0.00 0.00 177.20 175.45 3hac h HIS 740 N 0.00 0.00 0.00 2.11 -0.00 -1.92 -2.35 115.15 113.00 3hac h HIS 740 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3hac h HIS 740 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3hac h HIS 740 CO 0.00 0.10 -0.18 0.78 -0.00 0.00 0.00 177.93 178.63 3hac h GLY 741 N 0.54 0.00 -6.97 5.26 0.00 -1.99 -3.48 103.07 96.43 3hac h GLY 741 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 3hac h GLY 741 CO 0.01 0.00 -0.66 1.39 0.00 0.00 0.00 176.54 177.29 3hac n ILE 742 N -2.41 -1.47 0.43 2.60 5.41 -0.88 -4.84 119.36 118.20 3hac n ILE 742 Ca 0.05 -0.37 0.05 0.00 1.00 0.00 0.00 62.75 63.47 3hac n ILE 742 Cb 0.46 -1.27 0.02 0.00 -0.71 0.00 0.00 39.64 38.14 3hac n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hac n ALA 743 N -3.59 2.65 -1.68 -1.39 0.00 -1.26 -3.71 120.51 111.53 3hac n ALA 743 Ca -0.10 -0.51 -0.36 0.00 0.00 0.00 0.00 53.44 52.47 3hac n ALA 743 Cb 0.38 -0.35 0.06 0.00 0.00 0.00 0.00 19.45 19.55 3hac n ALA 743 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hac s SER 744 N -1.10 4.72 0.16 0.00 1.04 -1.26 -4.73 113.70 112.53 3hac s SER 744 Ca 0.10 2.52 -0.18 0.00 0.48 0.00 0.00 55.95 58.87 3hac s SER 744 Cb 0.08 -2.61 0.07 0.00 0.10 0.00 0.00 66.02 63.66 3hac s SER 744 CO 0.19 -1.92 1.68 -1.28 0.98 0.00 0.00 173.24 172.89 3hac h SER 745 N 0.53 -0.29 -0.38 7.02 0.87 -1.99 0.50 113.55 119.80 3hac h SER 745 Ca -0.50 0.10 -0.16 0.00 -1.23 0.00 0.00 61.79 60.00 3hac h SER 745 Cb 1.32 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.48 3hac h SER 745 CO 0.53 -0.10 -0.37 0.71 -0.53 0.00 0.00 176.83 177.07 3hac h THR 746 N 0.02 1.27 -0.26 2.23 1.35 -1.98 -2.50 112.91 113.03 3hac h THR 746 Ca 0.17 -1.55 -0.17 0.00 -0.55 0.00 0.00 66.41 64.32 3hac h THR 746 Cb 0.25 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3hac h THR 746 CO -0.35 0.52 -0.51 0.00 -0.25 0.00 0.00 175.52 174.93 3hac h ALA 747 N 0.77 0.61 -0.25 6.62 0.00 -1.83 -0.98 119.26 124.21 3hac h ALA 747 Ca 0.06 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.50 3hac h ALA 747 Cb 0.97 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3hac h ALA 747 CO 0.09 0.68 0.07 1.25 0.00 0.00 0.00 179.25 181.34 3hac h HIS 748 N 0.57 0.12 -0.49 0.00 2.76 -0.89 0.12 115.15 117.34 3hac h HIS 748 Ca 0.02 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.14 3hac h HIS 748 Cb 1.08 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 30.00 3hac h HIS 748 CO 0.06 0.05 0.03 1.96 -1.30 0.00 0.00 177.93 178.72 3hac h GLN 749 N 0.17 0.79 -0.21 5.26 4.20 -1.29 -2.86 115.11 121.18 3hac h GLN 749 Ca 0.11 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 3hac h GLN 749 Cb 0.10 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 3hac h GLN 749 CO -0.13 0.78 -0.14 1.25 -0.67 0.00 0.00 178.83 179.92 3hac h HIS 750 N 0.75 0.54 -0.29 2.96 2.76 -0.76 -1.97 115.15 119.12 3hac h HIS 750 Ca 0.15 -0.14 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 3hac h HIS 750 Cb 0.41 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 3hac h HIS 750 CO 0.02 0.77 0.08 0.97 -1.30 0.00 0.00 177.93 178.48 3hac h ILE 751 N 0.15 1.21 -0.19 6.26 2.10 -0.95 0.31 117.51 126.40 3hac h ILE 751 Ca 0.04 -0.68 -0.09 0.00 1.08 0.00 0.00 64.86 65.21 3hac h ILE 751 Cb 0.65 1.10 -0.01 0.00 -1.09 0.00 0.00 36.82 37.47 3hac h ILE 751 CO 0.04 0.23 -0.27 1.88 -1.08 0.00 0.00 178.15 178.94 3hac h TYR 752 N 0.31 0.41 -0.23 2.19 0.05 -1.56 0.97 116.97 119.12 3hac h TYR 752 Ca 0.09 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3hac h TYR 752 Cb 0.26 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 3hac h TYR 752 CO 0.01 0.61 0.10 1.15 -1.05 0.00 0.00 178.16 178.98 3hac h THR 753 N 0.32 1.15 -0.30 -2.88 2.02 -1.16 -1.18 112.91 110.89 3hac h THR 753 Ca 0.05 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 3hac h THR 753 Cb 0.66 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 3hac h THR 753 CO 0.05 0.15 0.13 -0.74 0.37 0.00 0.00 175.52 175.48 3hac h HIS 754 N 0.23 0.44 -0.53 3.16 -0.00 -0.49 -2.53 115.15 115.43 3hac h HIS 754 Ca 0.08 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.36 3hac h HIS 754 Cb 0.15 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 3hac h HIS 754 CO -0.02 0.42 0.07 0.52 -0.00 0.00 0.00 177.93 178.93 3hac h MET 755 N 0.34 0.84 -0.37 5.26 2.07 -0.81 -2.50 114.93 119.77 3hac h MET 755 Ca 0.10 -0.20 0.00 0.00 -2.07 0.00 0.00 59.70 57.53 3hac h MET 755 Cb 0.15 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.75 3hac h MET 755 CO -0.01 0.80 0.23 0.77 1.07 0.00 0.00 176.91 179.77 3hac h SER 756 N 0.80 0.44 -0.78 1.22 0.02 -1.04 -0.60 113.55 113.60 3hac h SER 756 Ca 0.17 -0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 3hac h SER 756 Cb 0.37 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 3hac h SER 756 CO 0.01 0.34 0.49 0.45 -1.14 0.00 0.00 176.83 176.99 3hac h HIS 757 N 0.49 0.92 -0.14 3.45 3.86 -1.32 -1.69 115.15 120.72 3hac h HIS 757 Ca 0.13 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 3hac h HIS 757 Cb -0.02 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.14 3hac h HIS 757 CO -0.04 0.51 0.03 0.35 0.86 0.00 0.00 177.93 179.64 3hac h PHE 758 N 0.95 0.24 -0.50 2.45 3.57 -0.98 -1.16 116.94 121.51 3hac h PHE 758 Ca 0.32 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.79 3hac h PHE 758 Cb 0.05 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3hac h PHE 758 CO -0.03 0.38 0.32 0.82 -2.23 0.00 0.00 178.31 177.57 3hac h ILE 759 N 0.02 1.13 -0.61 1.41 1.08 -1.10 -1.69 117.51 117.76 3hac h ILE 759 Ca 0.04 -0.26 -0.06 0.00 -0.39 0.00 0.00 64.86 64.19 3hac h ILE 759 Cb 0.27 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 3hac h ILE 759 CO 0.00 0.13 0.14 0.11 -0.69 0.00 0.00 178.15 177.84 3hac h LYS 760 N 0.68 0.98 -0.20 2.37 1.57 -1.24 -0.63 116.57 120.08 3hac h LYS 760 Ca 0.18 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hac h LYS 760 Cb -0.06 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3hac h LYS 760 CO -0.04 0.89 0.13 0.37 -0.57 0.00 0.00 179.45 180.24 3hac h GLN 761 N 0.89 0.27 -0.76 3.15 -0.00 -1.13 0.18 115.11 117.70 3hac h GLN 761 Ca 0.19 -0.02 0.04 0.00 -0.00 0.00 0.00 58.65 58.86 3hac h GLN 761 Cb 0.36 -0.06 -0.04 0.00 0.00 0.00 0.00 27.48 27.74 3hac h GLN 761 CO 0.00 0.19 0.50 0.00 0.00 0.00 0.00 178.83 179.52 3hac n PHE 763 N -4.45 0.27 -3.65 0.00 3.72 -0.27 -4.94 117.46 108.14 3hac n PHE 763 Ca 0.10 -0.14 -0.26 0.00 -0.05 0.00 0.00 57.45 57.11 3hac n PHE 763 Cb 0.12 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.72 3hac n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hac n SER 764 N 0.67 -5.90 -4.71 4.37 7.64 -0.61 -4.99 113.62 110.09 3hac n SER 764 Ca 0.17 -0.59 -0.36 0.00 1.01 0.00 0.00 58.87 59.10 3hac n SER 764 Cb 0.41 -4.67 -0.08 0.00 -1.01 0.00 0.00 64.21 58.87 3hac n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hac s LEU 765 N -7.25 4.21 0.00 -3.43 1.43 0.53 -5.03 118.68 109.13 3hac s LEU 765 Ca 0.59 0.39 0.18 0.00 -1.03 0.00 0.00 54.13 54.27 3hac s LEU 765 Cb -0.27 -2.30 1.08 0.00 0.03 0.00 0.00 46.19 44.73 3hac s LEU 765 CO 0.73 0.09 1.48 -0.81 0.23 0.00 0.00 176.35 178.06