#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgk n LEU 34 N 0.00 0.00 -3.29 -2.67 4.77 -1.26 -4.97 117.00 109.58 3hgk n LEU 34 Ca 0.00 -0.20 -0.34 0.00 -0.03 0.00 0.00 56.01 55.43 3hgk n LEU 34 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3hgk n LEU 34 CO 0.00 0.34 3.09 -1.84 -1.33 0.00 0.00 177.39 177.65 3hgk n GLU 35 N 0.00 3.21 -3.97 3.23 0.28 -1.26 -4.81 120.64 117.32 3hgk n GLU 35 Ca 0.00 -2.00 -0.33 0.00 -0.16 0.00 0.00 57.16 54.68 3hgk n GLU 35 Cb 0.34 -2.72 -0.14 0.00 1.43 0.00 0.00 31.44 30.35 3hgk n GLU 35 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3hgk s GLU 36 N 2.58 1.77 0.98 3.44 2.12 -1.26 -3.82 118.70 124.52 3hgk s GLU 36 Ca 0.61 -1.74 -0.12 0.00 0.36 0.00 0.00 54.97 54.07 3hgk s GLU 36 Cb 0.16 -3.24 0.18 0.00 0.26 0.00 0.00 34.13 31.49 3hgk s GLU 36 CO -0.05 -0.89 1.10 0.00 -0.54 0.00 0.00 175.26 174.88 3hgk s ALA 37 N 1.01 1.12 -0.09 6.30 0.00 -0.86 -4.90 121.76 124.34 3hgk s ALA 37 Ca 0.06 -0.41 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 3hgk s ALA 37 Cb -0.20 -3.09 0.04 0.00 0.00 0.00 0.00 23.12 19.87 3hgk s ALA 37 CO -0.06 -2.73 0.19 -0.08 0.00 0.00 0.00 175.76 173.07 3hgk s THR 38 N -3.04 -0.10 0.00 0.00 -1.32 -1.26 -4.38 115.64 105.53 3hgk s THR 38 Ca 0.65 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 61.33 3hgk s THR 38 Cb -0.18 -0.31 0.00 0.00 -1.51 0.00 0.00 72.50 70.51 3hgk s THR 38 CO 0.57 0.08 0.00 0.59 -2.21 0.00 0.00 174.62 173.65 3hgk n ASN 39 N 4.45 0.00 0.00 8.08 3.02 -1.26 -4.97 115.26 124.58 3hgk n ASN 39 Ca -0.22 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 3hgk n ASN 39 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 3hgk n ASN 39 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3hgk n ASN 40 N 0.58 0.00 -0.27 6.41 5.15 -1.26 -5.08 115.26 120.79 3hgk n ASN 40 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3hgk n ASN 40 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3hgk n ASN 40 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 3hgk n PHE 41 N 0.00 -0.23 -4.00 1.20 1.16 -1.26 -5.14 117.46 109.19 3hgk n PHE 41 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.29 3hgk n PHE 41 Cb 0.00 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.82 3hgk n PHE 41 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 3hgk s ASP 42 N -0.24 5.91 -0.48 5.98 -4.77 -1.26 -5.04 116.67 116.77 3hgk s ASP 42 Ca 0.00 0.09 -0.27 0.00 -3.30 0.00 0.00 52.55 49.07 3hgk s ASP 42 Cb 0.00 -1.69 -0.04 0.00 -1.09 0.00 0.00 42.92 40.10 3hgk s ASP 42 CO 0.00 0.14 2.05 -1.00 0.70 0.00 0.00 175.17 177.06 3hgk s HIS 43 N -1.53 1.46 -0.98 2.11 3.76 -1.26 -4.94 115.29 113.92 3hgk s HIS 43 Ca 0.32 0.98 -0.24 0.00 -0.15 0.00 0.00 55.06 55.97 3hgk s HIS 43 Cb -0.12 -3.92 0.05 0.00 1.11 0.00 0.00 32.58 29.69 3hgk s HIS 43 CO 0.25 -2.66 1.43 0.21 -0.85 0.00 0.00 174.74 173.13 3hgk s LYS 44 N 7.09 3.53 0.01 1.40 2.47 -1.26 -4.97 119.74 128.01 3hgk s LYS 44 Ca 0.82 -1.00 -0.40 0.00 -1.56 0.00 0.00 55.97 53.84 3hgk s LYS 44 Cb -0.18 -5.20 -0.20 0.00 -1.46 0.00 0.00 37.83 30.79 3hgk s LYS 44 CO 0.26 -2.22 1.08 1.19 0.16 0.00 0.00 175.35 175.82 3hgk n PHE 45 N 9.01 0.67 -3.88 4.03 3.01 -1.26 -4.73 117.46 124.31 3hgk n PHE 45 Ca 0.29 1.03 -0.02 0.00 1.01 0.00 0.00 57.45 59.77 3hgk n PHE 45 Cb 0.51 -2.10 0.02 0.00 -0.01 0.00 0.00 39.48 37.89 3hgk n PHE 45 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3hgk n LEU 46 N 1.58 0.00 0.00 4.37 4.77 -1.26 -5.01 117.00 121.45 3hgk n LEU 46 Ca 0.20 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 3hgk n LEU 46 Cb 0.09 2.37 0.00 0.00 -2.33 0.00 0.00 43.42 43.55 3hgk n LEU 46 CO 0.61 -0.38 0.00 2.30 -1.33 0.00 0.00 177.39 178.59 3hgk n ILE 47 N -0.69 0.00 -2.68 -0.08 -5.35 -1.26 -4.65 119.36 104.65 3hgk n ILE 47 Ca -0.01 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.25 3hgk n ILE 47 Cb 0.53 0.00 0.08 0.00 -1.74 0.00 0.00 39.64 38.50 3hgk n ILE 47 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3hgk s GLY 48 N 0.00 1.78 -0.28 3.28 0.00 -0.65 -5.00 107.32 106.45 3hgk s GLY 48 Ca 0.00 -1.68 -0.27 0.00 0.00 0.00 0.00 44.72 42.77 3hgk s GLY 48 CO 0.00 -1.22 1.33 -1.58 0.00 0.00 0.00 173.10 171.64 3hgk s HIS 49 N -2.95 -0.12 -0.09 1.90 2.46 -1.26 -3.30 115.29 111.94 3hgk s HIS 49 Ca 0.63 0.25 -0.31 0.00 0.47 0.00 0.00 55.06 56.10 3hgk s HIS 49 Cb -0.07 0.47 0.12 0.00 -0.13 0.00 0.00 32.58 32.97 3hgk s HIS 49 CO 0.42 -0.08 1.00 0.20 -2.47 0.00 0.00 174.74 173.81 3hgk s GLY 50 N -0.43 -0.37 0.00 1.59 0.00 0.56 -4.88 107.32 103.79 3hgk s GLY 50 Ca 0.07 1.39 0.00 0.00 0.00 0.00 0.00 44.72 46.18 3hgk s GLY 50 CO -0.10 0.53 0.00 -0.62 0.00 0.00 0.00 173.10 172.90 3hgk n VAL 51 N -0.01 0.00 -3.52 1.40 0.31 -1.26 -0.79 118.33 114.45 3hgk n VAL 51 Ca -0.06 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.91 3hgk n VAL 51 Cb 0.60 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.47 3hgk n VAL 51 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3hgk n PHE 52 N -0.03 3.90 0.00 3.52 0.99 -1.26 -5.00 117.46 119.58 3hgk n PHE 52 Ca 0.00 -3.93 0.00 0.00 -0.00 0.00 0.00 57.45 53.52 3hgk n PHE 52 Cb 0.00 -1.07 0.00 0.00 -1.00 0.00 0.00 39.48 37.41 3hgk n PHE 52 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hgk n GLY 53 N 1.95 3.70 3.81 1.37 0.00 0.03 -4.62 105.19 111.44 3hgk n GLY 53 Ca 0.24 -1.34 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 3hgk n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hgk s LYS 54 N -2.50 2.45 -0.04 1.61 1.02 -0.22 -0.32 119.74 121.75 3hgk s LYS 54 Ca 0.00 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 54.41 3hgk s LYS 54 Cb 0.00 -2.25 0.03 0.00 -0.52 0.00 0.00 37.83 35.08 3hgk s LYS 54 CO 0.00 -0.08 -0.01 0.08 -0.92 0.00 0.00 175.35 174.42 3hgk s VAL 55 N -2.48 0.25 -0.04 3.17 1.01 -1.21 -0.58 120.40 120.53 3hgk s VAL 55 Ca 0.44 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.54 3hgk s VAL 55 Cb -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 3hgk s VAL 55 CO 0.25 0.17 -0.25 -0.31 0.00 0.00 0.00 175.10 174.96 3hgk s TYR 56 N 1.09 2.36 0.48 5.22 1.51 -0.14 -1.64 117.35 126.23 3hgk s TYR 56 Ca -0.09 -0.59 -0.20 0.00 -1.01 0.00 0.00 57.07 55.18 3hgk s TYR 56 Cb -0.14 -1.53 -0.09 0.00 -0.11 0.00 0.00 41.96 40.10 3hgk s TYR 56 CO -0.02 -0.14 1.03 0.21 -1.11 0.00 0.00 175.55 175.52 3hgk s LYS 57 N -0.35 3.84 0.29 -0.62 2.20 -1.26 -0.61 119.74 123.22 3hgk s LYS 57 Ca 0.02 1.31 -0.20 0.00 -0.36 0.00 0.00 55.97 56.74 3hgk s LYS 57 Cb -0.12 -2.10 0.04 0.00 -1.51 0.00 0.00 37.83 34.14 3hgk s LYS 57 CO 0.02 -0.39 0.80 0.20 -0.36 0.00 0.00 175.35 175.62 3hgk s GLY 58 N -2.08 0.05 -0.07 5.54 0.00 -0.72 -4.88 107.32 105.16 3hgk s GLY 58 Ca 0.66 -0.39 0.02 0.00 0.00 0.00 0.00 44.72 45.01 3hgk s GLY 58 CO 0.20 0.05 -0.11 0.14 0.00 0.00 0.00 173.10 173.39 3hgk s VAL 59 N -3.16 1.07 0.11 1.40 1.01 -1.26 -1.56 120.40 118.00 3hgk s VAL 59 Ca 0.13 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 3hgk s VAL 59 Cb -0.05 -1.01 0.03 0.00 0.00 0.00 0.00 36.38 35.35 3hgk s VAL 59 CO 0.08 0.35 0.14 0.18 0.00 0.00 0.00 175.10 175.84 3hgk n LEU 60 N 4.06 0.00 0.09 3.92 4.77 -0.62 -4.94 117.00 124.28 3hgk n LEU 60 Ca -0.21 -0.15 -0.07 0.00 -0.03 0.00 0.00 56.01 55.55 3hgk n LEU 60 Cb 0.51 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 3hgk n LEU 60 CO 0.23 -0.70 0.22 0.03 -1.33 0.00 0.00 177.39 175.85 3hgk h ARG 61 N 0.00 0.10 0.00 3.23 3.08 -2.01 -3.28 114.38 115.49 3hgk h ARG 61 Ca -0.05 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3hgk h ARG 61 Cb 0.13 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3hgk h ARG 61 CO 0.03 0.94 0.00 -0.40 -1.07 0.00 0.00 179.97 179.47 3hgk n ASP 62 N -3.56 0.53 0.00 7.04 5.75 -1.26 -4.89 116.55 120.16 3hgk n ASP 62 Ca -0.02 0.56 0.00 0.00 -0.01 0.00 0.00 54.79 55.32 3hgk n ASP 62 Cb 0.84 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 3hgk n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hgk n GLY 63 N 1.10 0.98 3.62 6.12 0.00 -1.24 -5.08 105.19 110.70 3hgk n GLY 63 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3hgk n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hgk s ALA 64 N -2.00 3.17 -0.64 4.61 0.00 -1.26 -4.68 121.76 120.96 3hgk s ALA 64 Ca 0.00 0.54 -0.26 0.00 0.00 0.00 0.00 51.96 52.24 3hgk s ALA 64 Cb 0.00 -3.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 3hgk s ALA 64 CO 0.00 -2.13 2.02 0.15 0.00 0.00 0.00 175.76 175.81 3hgk s LYS 65 N 5.01 2.44 0.33 0.00 3.01 -1.26 -1.58 119.74 127.68 3hgk s LYS 65 Ca 0.77 0.64 0.08 0.00 -1.01 0.00 0.00 55.97 56.45 3hgk s LYS 65 Cb -0.27 -4.55 -0.03 0.00 -1.01 0.00 0.00 37.83 31.97 3hgk s LYS 65 CO 0.32 -3.05 0.26 0.54 0.51 0.00 0.00 175.35 173.93 3hgk s VAL 66 N 10.23 3.48 -0.02 3.17 0.11 -0.60 -1.91 120.40 134.86 3hgk s VAL 66 Ca 0.76 -1.43 0.05 0.00 -2.93 0.00 0.00 61.98 58.42 3hgk s VAL 66 Cb -0.13 -3.15 -0.01 0.00 -1.53 0.00 0.00 36.38 31.56 3hgk s VAL 66 CO 0.18 -0.18 -0.17 0.00 -3.33 0.00 0.00 175.10 171.59 3hgk s ALA 67 N -2.32 1.44 -0.06 1.54 0.00 0.26 -1.76 121.76 120.86 3hgk s ALA 67 Ca 0.40 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.68 3hgk s ALA 67 Cb -0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 3hgk s ALA 67 CO 0.26 0.33 -0.18 -0.51 0.00 0.00 0.00 175.76 175.66 3hgk s LEU 68 N -0.29 2.50 -0.76 0.00 2.01 0.22 -0.19 118.68 122.17 3hgk s LEU 68 Ca 0.04 -0.31 0.03 0.00 0.01 0.00 0.00 54.13 53.90 3hgk s LEU 68 Cb -0.08 -1.49 0.21 0.00 0.01 0.00 0.00 46.19 44.83 3hgk s LEU 68 CO 0.00 0.30 0.67 1.17 1.01 0.00 0.00 176.35 179.50 3hgk n LYS 69 N 2.59 2.31 -1.85 1.70 4.81 0.15 -0.97 118.16 126.90 3hgk n LYS 69 Ca -0.17 -4.53 -0.42 0.00 -0.87 0.00 0.00 58.31 52.32 3hgk n LYS 69 Cb 0.52 -2.33 -0.03 0.00 0.02 0.00 0.00 35.03 33.22 3hgk n LYS 69 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3hgk s ARG 70 N -1.72 3.04 -0.50 1.64 3.00 0.25 -2.77 118.95 121.89 3hgk s ARG 70 Ca 0.29 1.47 0.02 0.00 -1.00 0.00 0.00 55.73 56.52 3hgk s ARG 70 Cb -0.01 -4.31 0.48 0.00 0.00 0.00 0.00 34.95 31.11 3hgk s ARG 70 CO -0.11 -2.21 1.73 0.54 0.00 0.00 0.00 175.30 175.25 3hgk n ARG 71 N 8.68 2.78 0.05 5.12 1.74 -1.01 -1.06 116.66 132.97 3hgk n ARG 71 Ca 0.26 -3.48 -0.05 0.00 -0.77 0.00 0.00 57.85 53.81 3hgk n ARG 71 Cb 0.48 -2.22 -0.10 0.00 -1.02 0.00 0.00 32.46 29.61 3hgk n ARG 71 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3hgk h THR 72 N 1.31 1.24 -3.49 0.55 2.02 -1.88 -3.42 112.91 109.23 3hgk h THR 72 Ca 0.50 -2.90 -0.52 0.00 0.77 0.00 0.00 66.41 64.26 3hgk h THR 72 Cb 1.33 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 70.34 3hgk h THR 72 CO 1.18 0.71 0.48 -2.84 0.37 0.00 0.00 175.52 175.42 3hgk s PRO 73 N -2.75 4.57 -0.91 6.66 0.02 -1.26 -3.95 135.00 137.38 3hgk s PRO 73 Ca -0.00 1.70 -0.08 0.00 0.02 0.00 0.00 61.00 62.64 3hgk s PRO 73 Cb 0.09 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3hgk s PRO 73 CO 0.81 0.02 0.69 0.39 -0.33 0.00 0.00 177.00 178.57 3hgk n GLU 74 N 2.72 -1.31 -0.52 5.54 -0.58 -1.26 -3.95 120.64 121.27 3hgk n GLU 74 Ca 0.04 0.83 -0.09 0.00 -0.42 0.00 0.00 57.16 57.52 3hgk n GLU 74 Cb 0.47 -3.74 -0.07 0.00 -0.57 0.00 0.00 31.44 27.52 3hgk n GLU 74 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3hgk n SER 75 N -2.39 2.94 -4.45 1.62 3.41 -1.25 -4.69 113.62 108.81 3hgk n SER 75 Ca -0.16 -2.04 -0.44 0.00 -0.26 0.00 0.00 58.87 55.97 3hgk n SER 75 Cb 0.61 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 3hgk n SER 75 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3hgk s SER 76 N 2.73 6.58 -1.39 4.04 0.01 -1.26 -4.35 113.70 120.06 3hgk s SER 76 Ca 0.33 -1.93 -0.12 0.00 1.31 0.00 0.00 55.95 55.54 3hgk s SER 76 Cb 0.14 -2.40 0.09 0.00 0.21 0.00 0.00 66.02 64.06 3hgk s SER 76 CO -0.01 -1.10 0.60 1.67 0.41 0.00 0.00 173.24 174.81 3hgk n GLN 77 N 6.68 -3.57 0.17 12.44 -0.06 -1.26 -4.88 117.38 126.90 3hgk n GLN 77 Ca 0.21 0.47 0.06 0.00 -2.00 0.00 0.00 57.00 55.74 3hgk n GLN 77 Cb 0.49 -5.20 0.11 0.00 -4.06 0.00 0.00 30.24 21.58 3hgk n GLN 77 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 3hgk h GLY 78 N -1.19 0.00 0.93 1.69 0.00 -1.84 -3.33 103.07 99.33 3hgk h GLY 78 Ca -0.48 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 3hgk h GLY 78 CO 0.60 0.00 0.10 -2.22 0.00 0.00 0.00 176.54 175.01 3hgk h ILE 79 N 0.00 1.23 0.03 2.60 5.03 -1.90 0.40 117.51 124.90 3hgk h ILE 79 Ca -0.00 -0.77 0.03 0.00 -0.12 0.00 0.00 64.86 64.00 3hgk h ILE 79 Cb 1.21 1.00 -0.05 0.00 -3.03 0.00 0.00 36.82 35.95 3hgk h ILE 79 CO 0.04 0.27 -0.29 -0.08 -0.68 0.00 0.00 178.15 177.41 3hgk h GLU 80 N 0.48 -0.44 0.00 2.37 4.81 -1.98 0.19 114.58 120.00 3hgk h GLU 80 Ca 0.12 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3hgk h GLU 80 Cb 0.30 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 3hgk h GLU 80 CO 0.00 -0.29 -0.15 0.93 -0.73 0.00 0.00 179.01 178.77 3hgk h GLU 81 N -0.46 0.00 -0.12 1.92 5.08 -1.64 0.27 114.58 119.64 3hgk h GLU 81 Ca 0.05 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.20 3hgk h GLU 81 Cb 0.53 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.79 3hgk h GLU 81 CO -0.23 0.15 -0.78 0.35 -1.00 0.00 0.00 179.01 177.49 3hgk h PHE 82 N 0.00 0.91 -0.04 4.33 3.04 0.84 0.92 116.94 126.93 3hgk h PHE 82 Ca -0.00 -0.41 -0.06 0.00 3.98 0.00 0.00 57.97 61.48 3hgk h PHE 82 Cb 0.53 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.90 3hgk h PHE 82 CO 0.00 1.22 -0.21 0.93 -2.02 0.00 0.00 178.31 178.23 3hgk h GLU 83 N 0.45 0.21 -0.82 1.11 5.08 -0.35 -2.89 114.58 117.37 3hgk h GLU 83 Ca -0.05 -0.17 0.08 0.00 -1.00 0.00 0.00 59.36 58.21 3hgk h GLU 83 Cb 1.40 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.62 3hgk h GLU 83 CO 0.15 0.83 0.49 1.15 -1.00 0.00 0.00 179.01 180.63 3hgk h THR 84 N -0.35 0.98 0.00 1.13 2.02 -0.44 0.47 112.91 116.72 3hgk h THR 84 Ca -0.01 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3hgk h THR 84 Cb 0.87 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3hgk h THR 84 CO 0.04 0.16 0.00 -0.08 0.37 0.00 0.00 175.52 176.01 3hgk h GLU 85 N 0.86 0.00 0.00 6.66 4.81 -0.90 -2.70 114.58 123.31 3hgk h GLU 85 Ca 0.37 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.60 3hgk h GLU 85 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3hgk h GLU 85 CO -0.20 0.00 -0.00 0.82 -0.73 0.00 0.00 179.01 178.89 3hgk h ILE 86 N 0.00 0.50 0.89 2.32 2.04 -0.72 -3.00 117.51 119.54 3hgk h ILE 86 Ca 0.00 -1.37 -0.04 0.00 1.00 0.00 0.00 64.86 64.44 3hgk h ILE 86 Cb 0.62 0.94 0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3hgk h ILE 86 CO 0.00 0.17 -0.43 1.05 0.00 0.00 0.00 178.15 178.94 3hgk h GLU 87 N -1.00 -1.15 -1.14 2.37 4.11 -1.41 0.76 114.58 117.13 3hgk h GLU 87 Ca -0.00 0.08 0.32 0.00 0.07 0.00 0.00 59.36 59.83 3hgk h GLU 87 Cb 0.28 0.26 -0.10 0.00 0.50 0.00 0.00 28.75 29.69 3hgk h GLU 87 CO 0.00 -0.76 0.75 1.15 0.07 0.00 0.00 179.01 180.21 3hgk h THR 88 N -1.30 0.40 -0.01 -1.06 2.02 -1.69 0.22 112.91 111.48 3hgk h THR 88 Ca -0.12 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3hgk h THR 88 Cb 0.91 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3hgk h THR 88 CO 0.20 0.05 -0.73 -0.11 0.37 0.00 0.00 175.52 175.30 3hgk n LEU 89 N -4.59 1.40 0.18 2.58 7.94 -1.11 -4.25 117.00 119.15 3hgk n LEU 89 Ca 0.29 -0.57 0.03 0.00 -1.11 0.00 0.00 56.01 54.65 3hgk n LEU 89 Cb 1.08 -0.02 0.33 0.00 0.53 0.00 0.00 43.42 45.34 3hgk n LEU 89 CO 0.26 0.29 0.66 0.28 -1.11 0.00 0.00 177.39 177.78 3hgk h SER 90 N 1.06 0.00 0.00 1.96 0.02 0.39 -2.15 113.55 114.83 3hgk h SER 90 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3hgk h SER 90 Cb 0.61 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 3hgk h SER 90 CO 0.00 0.42 -0.01 0.49 -1.14 0.00 0.00 176.83 176.59 3hgk n PHE 91 N -3.76 0.00 -1.58 3.45 0.99 -1.20 -4.82 117.46 110.54 3hgk n PHE 91 Ca -0.01 -0.69 -0.14 0.00 -0.00 0.00 0.00 57.45 56.61 3hgk n PHE 91 Cb 0.49 -0.63 -0.09 0.00 -1.00 0.00 0.00 39.48 38.25 3hgk n PHE 91 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3hgk s ARG 93 N 8.72 0.49 0.00 0.00 1.81 -1.26 -5.02 118.95 123.70 3hgk s ARG 93 Ca 0.87 -0.24 0.00 0.00 -1.72 0.00 0.00 55.73 54.64 3hgk s ARG 93 Cb -0.09 -0.46 0.00 0.00 -0.45 0.00 0.00 34.95 33.95 3hgk s ARG 93 CO 0.13 -1.09 0.00 1.58 -0.68 0.00 0.00 175.30 175.24 3hgk n HIS 94 N 4.95 0.00 1.18 -0.53 -0.00 -1.26 -4.98 115.22 114.58 3hgk n HIS 94 Ca 0.04 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.36 3hgk n HIS 94 Cb 0.48 0.00 0.58 0.00 -0.12 0.00 0.00 29.99 30.93 3hgk n HIS 94 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 3hgk n PRO 95 N -0.51 0.26 -1.97 1.57 -0.02 -1.26 -3.61 135.00 129.46 3hgk n PRO 95 Ca 0.00 -0.06 -0.24 0.00 -2.02 0.00 0.00 63.50 61.17 3hgk n PRO 95 Cb 0.00 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.01 3hgk n PRO 95 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3hgk n HIS 96 N -1.32 2.76 -3.67 6.00 8.25 -1.26 -4.67 115.22 121.31 3hgk n HIS 96 Ca 0.10 -2.26 -0.11 0.00 -0.26 0.00 0.00 57.72 55.18 3hgk n HIS 96 Cb 0.30 -0.41 -0.08 0.00 1.12 0.00 0.00 29.99 30.92 3hgk n HIS 96 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hgk s LEU 97 N -3.61 -0.42 -0.01 2.41 1.02 -1.24 -3.14 118.68 113.69 3hgk s LEU 97 Ca 0.52 1.22 -0.30 0.00 0.02 0.00 0.00 54.13 55.59 3hgk s LEU 97 Cb 0.42 1.99 -0.05 0.00 0.02 0.00 0.00 46.19 48.57 3hgk s LEU 97 CO 0.04 -0.21 1.29 -0.69 0.02 0.00 0.00 176.35 176.79 3hgk s VAL 98 N 0.91 3.97 -0.58 -1.59 1.01 -0.24 -4.63 120.40 119.26 3hgk s VAL 98 Ca -0.05 1.34 -0.27 0.00 0.00 0.00 0.00 61.98 63.01 3hgk s VAL 98 Cb -0.05 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.50 3hgk s VAL 98 CO -0.08 0.02 1.13 -0.55 0.00 0.00 0.00 175.10 175.62 3hgk s SER 99 N 1.58 6.41 -0.81 3.32 0.15 -1.26 -4.98 113.70 118.11 3hgk s SER 99 Ca 0.60 -0.03 -0.25 0.00 0.70 0.00 0.00 55.95 56.96 3hgk s SER 99 Cb -0.28 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.45 3hgk s SER 99 CO 0.25 -1.43 1.99 -0.22 1.20 0.00 0.00 173.24 175.03 3hgk s LEU 100 N 4.73 3.17 0.30 3.45 0.20 -1.26 -3.86 118.68 125.41 3hgk s LEU 100 Ca 0.39 -0.29 -0.01 0.00 0.69 0.00 0.00 54.13 54.92 3hgk s LEU 100 Cb -0.09 -2.55 0.46 0.00 -0.43 0.00 0.00 46.19 43.58 3hgk s LEU 100 CO 0.23 -2.78 1.89 0.40 -0.29 0.00 0.00 176.35 175.80 3hgk h ILE 101 N 7.23 1.21 -1.36 6.68 2.04 -1.59 -3.48 117.51 128.24 3hgk h ILE 101 Ca -0.01 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3hgk h ILE 101 Cb 1.05 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3hgk h ILE 101 CO 1.19 0.25 0.00 0.61 0.00 0.00 0.00 178.15 180.20 3hgk n GLY 102 N -1.10 2.51 3.56 5.37 0.00 -1.21 -4.91 105.19 109.41 3hgk n GLY 102 Ca 0.05 -0.85 -0.07 0.00 0.00 0.00 0.00 46.02 45.16 3hgk n GLY 102 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hgk s PHE 103 N -5.28 -0.24 -0.04 1.61 -0.71 -1.25 -3.22 117.98 108.86 3hgk s PHE 103 Ca 0.00 0.19 -0.01 0.00 -1.04 0.00 0.00 56.93 56.07 3hgk s PHE 103 Cb 0.00 0.52 0.03 0.00 -1.21 0.00 0.00 43.02 42.36 3hgk s PHE 103 CO 0.00 -0.35 0.07 0.00 -1.34 0.00 0.00 175.22 173.60 3hgk n ASP 105 N 4.07 2.52 -4.69 0.00 -0.08 -1.25 -3.15 116.55 113.97 3hgk n ASP 105 Ca -0.26 -3.17 -0.40 0.00 -1.51 0.00 0.00 54.79 49.46 3hgk n ASP 105 Cb 0.52 -0.46 -0.05 0.00 2.34 0.00 0.00 41.12 43.47 3hgk n ASP 105 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 3hgk s GLU 106 N -2.91 4.34 -1.13 -0.67 2.12 -1.24 -4.29 118.70 114.92 3hgk s GLU 106 Ca 0.34 0.78 -0.04 0.00 0.36 0.00 0.00 54.97 56.41 3hgk s GLU 106 Cb 0.30 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 3hgk s GLU 106 CO 0.03 -0.07 0.92 0.54 -0.54 0.00 0.00 175.26 176.14 3hgk n ARG 107 N 4.35 -3.99 -0.53 4.30 1.74 -1.26 -2.78 116.66 118.50 3hgk n ARG 107 Ca -0.01 0.82 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 3hgk n ARG 107 Cb 0.50 -5.69 0.00 0.00 -1.02 0.00 0.00 32.46 26.25 3hgk n ARG 107 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hgk n ASN 108 N -3.15 -2.37 -4.78 0.55 3.02 -1.26 -4.91 115.26 102.35 3hgk n ASN 108 Ca -0.17 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 53.99 3hgk n ASN 108 Cb 0.64 -2.14 -0.06 0.00 -0.61 0.00 0.00 39.78 37.61 3hgk n ASN 108 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hgk s GLU 109 N -1.05 4.28 -0.52 3.52 0.41 -1.12 -4.87 118.70 119.36 3hgk s GLU 109 Ca 0.00 0.76 0.04 0.00 -0.41 0.00 0.00 54.97 55.37 3hgk s GLU 109 Cb 0.00 -3.29 0.17 0.00 -1.78 0.00 0.00 34.13 29.22 3hgk s GLU 109 CO 0.00 0.49 0.39 0.00 -0.49 0.00 0.00 175.26 175.65 3hgk s MET 110 N -0.63 1.49 0.15 1.61 0.23 -1.26 -3.60 119.30 117.29 3hgk s MET 110 Ca 0.31 -2.54 -0.13 0.00 -1.03 0.00 0.00 55.69 52.30 3hgk s MET 110 Cb -0.19 -2.21 -0.07 0.00 -1.53 0.00 0.00 34.83 30.84 3hgk s MET 110 CO 0.19 -1.33 0.53 0.42 -2.03 0.00 0.00 175.02 172.79 3hgk s ILE 111 N -0.45 4.91 0.00 3.16 1.01 -1.19 -2.41 121.20 126.24 3hgk s ILE 111 Ca 0.29 0.72 0.08 0.00 0.00 0.00 0.00 60.65 61.73 3hgk s ILE 111 Cb -0.02 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 3hgk s ILE 111 CO -0.17 0.20 -0.24 -0.76 0.00 0.00 0.00 174.94 173.98 3hgk s LEU 112 N -2.08 2.09 0.03 2.97 1.43 -1.12 -2.34 118.68 119.67 3hgk s LEU 112 Ca 0.38 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 53.09 3hgk s LEU 112 Cb -0.14 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 3hgk s LEU 112 CO 0.19 0.27 -0.24 -0.63 0.23 0.00 0.00 176.35 176.17 3hgk s ILE 113 N -0.64 2.31 0.15 -0.59 1.01 -1.20 0.31 121.20 122.55 3hgk s ILE 113 Ca 0.09 -1.27 -0.07 0.00 0.00 0.00 0.00 60.65 59.41 3hgk s ILE 113 Cb -0.09 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 3hgk s ILE 113 CO 0.00 0.41 0.21 -0.31 0.00 0.00 0.00 174.94 175.25 3hgk s TYR 114 N -0.79 0.50 0.67 3.97 1.51 0.73 -1.43 117.35 122.50 3hgk s TYR 114 Ca 0.12 -0.87 -0.17 0.00 -1.01 0.00 0.00 57.07 55.14 3hgk s TYR 114 Cb -0.10 -0.17 0.01 0.00 -0.11 0.00 0.00 41.96 41.59 3hgk s TYR 114 CO 0.02 -0.65 1.21 0.15 -1.11 0.00 0.00 175.55 175.17 3hgk s LYS 115 N -3.98 2.51 -0.20 -0.62 3.01 -1.25 0.88 119.74 120.09 3hgk s LYS 115 Ca 0.18 1.78 -0.26 0.00 -1.01 0.00 0.00 55.97 56.65 3hgk s LYS 115 Cb 0.05 -1.88 -0.01 0.00 -1.01 0.00 0.00 37.83 34.98 3hgk s LYS 115 CO -0.01 -1.55 0.89 -0.47 0.51 0.00 0.00 175.35 174.72 3hgk s TYR 116 N -1.83 3.37 -1.15 3.18 5.04 -0.80 -4.39 117.35 120.77 3hgk s TYR 116 Ca 0.75 1.28 -0.17 0.00 -2.44 0.00 0.00 57.07 56.50 3hgk s TYR 116 Cb -0.30 -3.10 0.12 0.00 0.35 0.00 0.00 41.96 39.04 3hgk s TYR 116 CO 0.40 -0.35 1.45 -1.64 -1.34 0.00 0.00 175.55 174.07 3hgk s MET 117 N 2.62 3.90 0.58 4.97 -1.94 -1.26 -4.82 119.30 123.35 3hgk s MET 117 Ca 0.39 -2.10 0.10 0.00 -1.71 0.00 0.00 55.69 52.37 3hgk s MET 117 Cb -0.16 -5.18 0.33 0.00 2.01 0.00 0.00 34.83 31.83 3hgk s MET 117 CO 0.10 -1.94 1.01 0.39 -0.01 0.00 0.00 175.02 174.56 3hgk n GLU 118 N 6.89 0.02 -0.01 2.03 -0.58 -1.26 0.21 120.64 127.95 3hgk n GLU 118 Ca 0.37 0.88 0.00 0.00 -0.42 0.00 0.00 57.16 57.99 3hgk n GLU 118 Cb 0.46 -2.31 0.01 0.00 -0.57 0.00 0.00 31.44 29.03 3hgk n GLU 118 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hgk n ASN 119 N -2.60 2.03 0.00 1.62 3.02 -0.82 -4.97 115.26 113.53 3hgk n ASN 119 Ca 0.08 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.65 3hgk n ASN 119 Cb 1.10 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.26 3hgk n ASN 119 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hgk n GLY 120 N -0.44 0.96 3.98 7.41 0.00 0.13 -4.61 105.19 112.63 3hgk n GLY 120 Ca 0.01 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 3hgk n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hgk s ASN 121 N -4.00 4.81 0.05 1.61 2.20 -1.26 0.20 114.94 118.55 3hgk s ASN 121 Ca 0.00 -0.15 -0.32 0.00 -0.94 0.00 0.00 52.86 51.45 3hgk s ASN 121 Cb 0.00 -0.48 -0.18 0.00 -2.00 0.00 0.00 41.25 38.58 3hgk s ASN 121 CO 0.00 -1.51 1.45 0.25 -2.94 0.00 0.00 177.10 174.35 3hgk h LEU 122 N -0.25 -0.85 -0.85 3.54 5.85 -1.02 -3.21 115.31 118.51 3hgk h LEU 122 Ca -0.39 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.49 3hgk h LEU 122 Cb 1.28 0.22 -0.15 0.00 0.37 0.00 0.00 40.66 42.39 3hgk h LEU 122 CO 0.47 -0.55 -0.27 1.17 -0.34 0.00 0.00 178.44 178.92 3hgk n LYS 123 N -5.49 -0.14 0.00 1.25 4.81 -1.22 0.29 118.16 117.67 3hgk n LYS 123 Ca -0.14 1.31 0.00 0.00 -0.87 0.00 0.00 58.31 58.62 3hgk n LYS 123 Cb 0.41 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.50 3hgk n LYS 123 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3hgk n ARG 124 N -5.31 0.00 0.00 1.64 0.00 -1.21 -1.66 116.66 110.12 3hgk n ARG 124 Ca 0.11 0.16 0.00 0.00 -0.00 0.00 0.00 57.85 58.12 3hgk n ARG 124 Cb 0.38 -1.63 0.00 0.00 0.00 0.00 0.00 32.46 31.21 3hgk n ARG 124 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3hgk n HIS 125 N -1.06 0.00 0.02 -0.14 8.25 0.15 -4.69 115.22 117.75 3hgk n HIS 125 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 3hgk n HIS 125 Cb 0.13 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.15 3hgk n HIS 125 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3hgk h LEU 126 N 0.00 0.90 0.00 2.41 3.38 -1.14 -3.41 115.31 117.45 3hgk h LEU 126 Ca 0.00 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.27 3hgk h LEU 126 Cb 0.80 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3hgk h LEU 126 CO 0.00 1.48 0.00 0.00 0.09 0.00 0.00 178.44 180.01 3hgk n TYR 127 N -3.91 0.00 0.08 1.13 9.36 -0.82 -4.72 117.16 118.28 3hgk n TYR 127 Ca -0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.12 3hgk n TYR 127 Cb 0.82 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.53 3hgk n TYR 127 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hgk n GLY 128 N 0.00 -0.60 0.00 2.98 0.00 -1.26 -4.47 105.19 101.84 3hgk n GLY 128 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3hgk n GLY 128 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hgk n SER 129 N -2.94 0.00 -0.16 1.61 3.41 -1.26 -5.12 113.62 109.16 3hgk n SER 129 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3hgk n SER 129 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3hgk n SER 129 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hgk n ASP 130 N 0.00 -2.43 -1.13 4.04 9.92 -1.26 -5.00 116.55 120.69 3hgk n ASP 130 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3hgk n ASP 130 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3hgk n ASP 130 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 3hgk n LEU 131 N 0.00 -1.50 0.00 0.64 7.94 -1.26 -4.98 117.00 117.84 3hgk n LEU 131 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3hgk n LEU 131 Cb 0.00 -0.75 0.00 0.00 0.53 0.00 0.00 43.42 43.20 3hgk n LEU 131 CO 0.00 0.00 0.00 -0.81 -1.11 0.00 0.00 177.39 175.47 3hgk n PRO 132 N 0.18 1.60 -0.81 1.96 -0.04 -1.26 -4.13 135.00 132.51 3hgk n PRO 132 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3hgk n PRO 132 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3hgk n PRO 132 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3hgk n THR 133 N -0.40 0.00 0.00 0.52 -1.04 -1.26 -4.64 114.28 107.46 3hgk n THR 133 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hgk n THR 133 Cb 0.00 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 3hgk n THR 133 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 3hgk n MET 134 N 0.42 0.00 -4.48 -2.82 1.56 -1.26 -4.84 117.12 105.69 3hgk n MET 134 Ca 0.00 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.14 3hgk n MET 134 Cb 0.36 0.00 -0.08 0.00 2.15 0.00 0.00 33.22 35.66 3hgk n MET 134 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 3hgk s SER 135 N -4.00 4.18 0.71 6.12 1.04 -1.26 -4.94 113.70 115.56 3hgk s SER 135 Ca 0.00 -1.41 -0.11 0.00 0.48 0.00 0.00 55.95 54.91 3hgk s SER 135 Cb 0.00 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.19 3hgk s SER 135 CO 0.00 -0.71 1.08 -0.04 0.98 0.00 0.00 173.24 174.55 3hgk s MET 136 N -3.89 2.68 0.14 4.02 -1.94 -1.26 -5.06 119.30 113.99 3hgk s MET 136 Ca 0.25 1.10 -0.06 0.00 -1.71 0.00 0.00 55.69 55.27 3hgk s MET 136 Cb 0.04 -1.95 -0.06 0.00 2.01 0.00 0.00 34.83 34.87 3hgk s MET 136 CO 0.13 -1.31 0.40 -1.54 -0.01 0.00 0.00 175.02 172.70 3hgk s SER 137 N -3.43 6.54 0.29 3.03 1.04 -1.26 -4.94 113.70 114.97 3hgk s SER 137 Ca 0.61 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.71 3hgk s SER 137 Cb -0.16 -2.13 0.69 0.00 0.10 0.00 0.00 66.02 64.52 3hgk s SER 137 CO 0.53 0.06 1.60 -0.25 0.98 0.00 0.00 173.24 176.15 3hgk h TRP 138 N 2.98 0.03 -0.19 5.02 -0.00 -1.94 0.26 115.95 122.11 3hgk h TRP 138 Ca -0.47 0.06 0.05 0.00 -0.00 0.00 0.00 58.89 58.54 3hgk h TRP 138 Cb 1.17 0.14 -0.07 0.00 -0.00 0.00 0.00 29.16 30.40 3hgk h TRP 138 CO 0.62 -0.36 -0.32 0.93 -0.00 0.00 0.00 178.44 179.32 3hgk h GLU 139 N 0.06 -0.34 0.00 2.65 3.07 -1.95 0.20 114.58 118.27 3hgk h GLU 139 Ca 0.56 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.44 3hgk h GLU 139 Cb 1.12 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3hgk h GLU 139 CO -0.82 -0.23 0.00 0.37 -1.40 0.00 0.00 179.01 176.93 3hgk h GLN 140 N -0.36 0.00 0.24 2.33 4.15 -0.97 0.16 115.11 120.67 3hgk h GLN 140 Ca 0.11 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.21 3hgk h GLN 140 Cb 0.54 0.00 0.04 0.00 0.21 0.00 0.00 27.48 28.26 3hgk h GLN 140 CO -0.39 0.00 -1.43 0.00 -1.93 0.00 0.00 178.83 175.08 3hgk h ARG 141 N 0.00 0.52 -0.03 1.69 3.08 0.03 -3.29 114.38 116.39 3hgk h ARG 141 Ca 0.00 -0.89 -0.03 0.00 0.07 0.00 0.00 59.98 59.14 3hgk h ARG 141 Cb 0.42 0.33 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3hgk h ARG 141 CO 0.00 1.42 -0.09 -0.07 -1.07 0.00 0.00 179.97 180.17 3hgk h LEU 142 N 0.09 0.12 -0.85 3.04 3.38 -0.40 -0.67 115.31 120.03 3hgk h LEU 142 Ca -0.25 -0.62 0.13 0.00 0.09 0.00 0.00 57.88 57.23 3hgk h LEU 142 Cb 2.12 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 42.70 3hgk h LEU 142 CO 0.26 0.73 -0.34 1.21 0.09 0.00 0.00 178.44 180.39 3hgk n GLU 143 N -4.68 -0.20 0.08 1.13 4.07 0.52 -0.16 120.64 121.40 3hgk n GLU 143 Ca -0.09 1.31 -0.08 0.00 -0.06 0.00 0.00 57.16 58.25 3hgk n GLU 143 Cb 0.36 -1.94 0.03 0.00 -0.06 0.00 0.00 31.44 29.83 3hgk n GLU 143 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 3hgk h ILE 144 N 0.00 1.46 -0.08 6.31 2.04 -1.61 -1.08 117.51 124.55 3hgk h ILE 144 Ca 0.29 -2.43 -0.01 0.00 1.00 0.00 0.00 64.86 63.72 3hgk h ILE 144 Cb 0.51 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 3hgk h ILE 144 CO -0.84 0.71 0.01 0.00 0.00 0.00 0.00 178.15 178.03 3hgk h ILE 146 N 0.11 0.00 -0.92 0.00 2.04 -0.20 -3.03 117.51 115.50 3hgk h ILE 146 Ca 0.03 -0.92 0.16 0.00 1.00 0.00 0.00 64.86 65.13 3hgk h ILE 146 Cb 0.06 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 35.98 3hgk h ILE 146 CO -0.00 0.00 -0.34 1.23 0.00 0.00 0.00 178.15 179.04 3hgk h GLY 147 N -0.99 0.23 1.48 5.37 0.00 -1.16 0.93 103.07 108.94 3hgk h GLY 147 Ca -0.01 0.45 0.01 0.00 0.00 0.00 0.00 47.33 47.78 3hgk h GLY 147 CO 0.01 -0.25 0.33 0.00 0.00 0.00 0.00 176.54 176.63 3hgk h ALA 148 N 1.50 1.69 -0.07 3.60 0.00 -1.46 -2.17 119.26 122.34 3hgk h ALA 148 Ca 0.36 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 3hgk h ALA 148 Cb 0.62 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3hgk h ALA 148 CO -0.94 0.28 -0.69 0.00 0.00 0.00 0.00 179.25 177.89 3hgk h ALA 149 N 1.70 0.69 -1.06 0.00 0.00 0.89 -1.52 119.26 119.96 3hgk h ALA 149 Ca 0.19 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hgk h ALA 149 Cb -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hgk h ALA 149 CO -0.04 0.77 0.00 -2.13 0.00 0.00 0.00 179.25 177.84 3hgk n ARG 150 N -3.83 0.00 -0.19 0.00 3.00 0.32 -1.49 116.66 114.47 3hgk n ARG 150 Ca -0.03 0.37 0.14 0.00 -0.00 0.00 0.00 57.85 58.32 3hgk n ARG 150 Cb 0.68 -1.32 0.26 0.00 0.00 0.00 0.00 32.46 32.07 3hgk n ARG 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hgk n GLY 151 N -0.84 -0.61 0.18 5.14 0.00 -0.86 0.35 105.19 108.55 3hgk n GLY 151 Ca 0.00 0.52 -0.16 0.00 0.00 0.00 0.00 46.02 46.38 3hgk n GLY 151 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hgk h LEU 152 N 0.00 0.66 0.70 0.99 3.38 -1.20 -2.89 115.31 116.95 3hgk h LEU 152 Ca 0.42 -0.61 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3hgk h LEU 152 Cb 1.02 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3hgk h LEU 152 CO -0.49 1.16 -0.42 -0.74 0.09 0.00 0.00 178.44 178.04 3hgk h HIS 153 N 0.20 -1.10 -1.31 1.13 2.76 0.10 -1.81 115.15 115.12 3hgk h HIS 153 Ca -0.02 -0.01 0.42 0.00 -2.20 0.00 0.00 60.37 58.55 3hgk h HIS 153 Cb 1.12 0.39 -0.12 0.00 1.55 0.00 0.00 27.41 30.35 3hgk h HIS 153 CO 0.10 -0.63 0.85 -0.92 -1.30 0.00 0.00 177.93 176.03 3hgk h TYR 154 N -1.04 0.51 -0.11 5.26 3.20 -1.23 0.45 116.97 124.00 3hgk h TYR 154 Ca -0.09 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.61 3hgk h TYR 154 Cb 0.84 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 3hgk h TYR 154 CO -0.09 -0.17 -0.73 1.25 -1.64 0.00 0.00 178.16 176.78 3hgk h LEU 155 N 0.11 0.61 -0.44 2.82 5.85 -1.14 -3.06 115.31 120.05 3hgk h LEU 155 Ca 0.80 -0.39 -0.18 0.00 0.84 0.00 0.00 57.88 58.94 3hgk h LEU 155 Cb 2.50 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 43.34 3hgk h LEU 155 CO -0.38 1.15 -0.66 0.45 -0.34 0.00 0.00 178.44 178.65 3hgk h HIS 156 N 0.35 0.62 0.00 1.25 3.86 0.50 0.61 115.15 122.35 3hgk h HIS 156 Ca -0.03 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 3hgk h HIS 156 Cb 1.32 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.68 3hgk h HIS 156 CO 0.05 1.00 0.00 2.41 0.86 0.00 0.00 177.93 182.25 3hgk n THR 157 N -3.89 0.98 -0.43 2.45 -1.04 0.80 -1.29 114.28 111.85 3hgk n THR 157 Ca -0.04 0.24 0.02 0.00 -2.04 0.00 0.00 64.05 62.23 3hgk n THR 157 Cb 0.67 -1.14 0.03 0.00 -1.82 0.00 0.00 70.33 68.06 3hgk n THR 157 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hgk n ARG 158 N -1.31 2.11 -1.11 -2.82 1.74 -1.11 -4.91 116.66 109.24 3hgk n ARG 158 Ca 0.03 -1.52 -0.04 0.00 -0.77 0.00 0.00 57.85 55.55 3hgk n ARG 158 Cb 0.05 -0.99 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 3hgk n ARG 158 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hgk n ALA 159 N -0.57 -0.06 -2.66 7.54 0.00 -0.41 -4.74 120.51 119.60 3hgk n ALA 159 Ca 0.03 0.06 -0.37 0.00 0.00 0.00 0.00 53.44 53.16 3hgk n ALA 159 Cb 0.38 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 3hgk n ALA 159 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hgk s ILE 160 N -2.03 5.22 -0.22 0.00 1.01 0.19 0.05 121.20 125.42 3hgk s ILE 160 Ca 0.00 0.61 0.02 0.00 0.00 0.00 0.00 60.65 61.28 3hgk s ILE 160 Cb 0.00 -3.61 0.04 0.00 0.01 0.00 0.00 42.46 38.90 3hgk s ILE 160 CO 0.00 0.54 -0.15 -0.63 0.00 0.00 0.00 174.94 174.70 3hgk s ILE 161 N -0.68 2.08 0.32 2.92 1.01 -0.19 -3.62 121.20 123.04 3hgk s ILE 161 Ca 0.20 -1.29 0.05 0.00 0.00 0.00 0.00 60.65 59.61 3hgk s ILE 161 Cb -0.15 -2.06 0.10 0.00 0.01 0.00 0.00 42.46 40.37 3hgk s ILE 161 CO 0.09 0.23 1.79 -0.74 0.00 0.00 0.00 174.94 176.31 3hgk h HIS 162 N 7.86 0.41 0.00 3.97 2.76 -1.95 -1.87 115.15 126.33 3hgk h HIS 162 Ca -0.31 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 3hgk h HIS 162 Cb 1.09 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.94 3hgk h HIS 162 CO 0.56 0.57 0.00 0.54 -1.30 0.00 0.00 177.93 178.29 3hgk n ARG 163 N -4.17 0.00 -2.89 5.26 1.74 -1.26 -3.50 116.66 111.84 3hgk n ARG 163 Ca -0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 3hgk n ARG 163 Cb 0.36 -3.62 0.01 0.00 -1.02 0.00 0.00 32.46 28.19 3hgk n ARG 163 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hgk n ASP 164 N 0.00 1.09 -4.65 0.55 2.03 -1.26 -4.22 116.55 110.10 3hgk n ASP 164 Ca 0.00 -2.85 -0.41 0.00 0.52 0.00 0.00 54.79 52.05 3hgk n ASP 164 Cb 0.00 -0.52 -0.05 0.00 -0.72 0.00 0.00 41.12 39.82 3hgk n ASP 164 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3hgk s VAL 165 N -2.74 4.92 -0.12 5.18 1.01 -1.26 -4.83 120.40 122.55 3hgk s VAL 165 Ca 0.33 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 63.38 3hgk s VAL 165 Cb 0.41 -4.03 0.12 0.00 0.00 0.00 0.00 36.38 32.88 3hgk s VAL 165 CO -0.01 0.01 0.97 -1.59 0.00 0.00 0.00 175.10 174.47 3hgk s LYS 166 N 2.47 0.65 0.37 2.72 -2.85 -1.26 -4.63 119.74 117.20 3hgk s LYS 166 Ca 0.32 0.03 0.24 0.00 -1.00 0.00 0.00 55.97 55.56 3hgk s LYS 166 Cb -0.16 0.30 1.29 0.00 -2.06 0.00 0.00 37.83 37.21 3hgk s LYS 166 CO 0.09 -0.23 1.43 -1.13 0.10 0.00 0.00 175.35 175.61 3hgk n SER 167 N 0.46 0.26 -0.07 0.03 3.41 -1.26 -0.77 113.62 115.67 3hgk n SER 167 Ca -0.10 1.39 -0.11 0.00 -0.26 0.00 0.00 58.87 59.80 3hgk n SER 167 Cb 0.59 -0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 63.81 3hgk n SER 167 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3hgk h ILE 168 N 0.00 1.24 0.00 -1.33 2.04 -1.95 -2.06 117.51 115.45 3hgk h ILE 168 Ca 0.79 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3hgk h ILE 168 Cb 2.31 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.73 3hgk h ILE 168 CO -0.57 0.25 0.00 0.59 0.00 0.00 0.00 178.15 178.42 3hgk n ASN 169 N -4.70 0.64 -3.63 1.72 3.02 0.05 -4.24 115.26 108.11 3hgk n ASN 169 Ca -0.04 -1.75 -0.28 0.00 -0.03 0.00 0.00 54.58 52.49 3hgk n ASN 169 Cb 0.21 -0.32 -0.10 0.00 -0.61 0.00 0.00 39.78 38.96 3hgk n ASN 169 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hgk n ILE 170 N -0.09 2.08 -0.49 2.41 5.41 -1.13 -0.51 119.36 127.04 3hgk n ILE 170 Ca 0.00 -5.08 -0.29 0.00 1.00 0.00 0.00 62.75 58.38 3hgk n ILE 170 Cb 0.16 -2.14 0.23 0.00 -0.71 0.00 0.00 39.64 37.18 3hgk n ILE 170 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3hgk n LEU 171 N 1.32 -1.73 -3.70 1.39 4.32 -1.13 -2.43 117.00 115.05 3hgk n LEU 171 Ca 0.26 -0.33 -0.12 0.00 -0.02 0.00 0.00 56.01 55.80 3hgk n LEU 171 Cb 0.38 -1.05 -0.12 0.00 -1.62 0.00 0.00 43.42 41.02 3hgk n LEU 171 CO 0.35 -3.50 -0.05 -0.76 -1.22 0.00 0.00 177.39 172.21 3hgk s LEU 172 N -4.60 0.04 0.00 2.23 1.43 0.13 -2.23 118.68 115.68 3hgk s LEU 172 Ca 0.61 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.41 3hgk s LEU 172 Cb -0.16 0.99 0.00 0.00 0.03 0.00 0.00 46.19 47.05 3hgk s LEU 172 CO 0.61 -0.19 0.00 -0.90 0.23 0.00 0.00 176.35 176.09 3hgk n ASP 173 N 4.50 0.00 0.09 2.29 5.68 -1.19 -1.95 116.55 125.97 3hgk n ASP 173 Ca -0.20 -0.62 0.18 0.00 -0.50 0.00 0.00 54.79 53.65 3hgk n ASP 173 Cb 0.53 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.06 3hgk n ASP 173 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3hgk h GLU 174 N 0.00 0.00 -0.03 0.11 5.08 -1.93 0.39 114.58 118.21 3hgk h GLU 174 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hgk h GLU 174 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3hgk h GLU 174 CO 0.00 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.10 3hgk n ASN 175 N -3.21 2.09 -1.78 1.42 3.02 -1.26 -4.99 115.26 110.55 3hgk n ASN 175 Ca 0.09 -2.05 -0.12 0.00 -0.03 0.00 0.00 54.58 52.47 3hgk n ASN 175 Cb 0.90 -0.04 0.02 0.00 -0.61 0.00 0.00 39.78 40.06 3hgk n ASN 175 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3hgk n PHE 176 N -0.47 -1.14 -3.11 3.10 3.01 0.14 -5.00 117.46 113.98 3hgk n PHE 176 Ca 0.02 0.33 -0.40 0.00 1.01 0.00 0.00 57.45 58.40 3hgk n PHE 176 Cb 0.28 -2.90 -0.06 0.00 -0.01 0.00 0.00 39.48 36.80 3hgk n PHE 176 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3hgk s VAL 177 N -2.93 5.00 0.87 -4.37 1.01 -1.26 -4.78 120.40 113.93 3hgk s VAL 177 Ca 0.19 1.15 -0.15 0.00 0.00 0.00 0.00 61.98 63.18 3hgk s VAL 177 Cb -0.08 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3hgk s VAL 177 CO 0.24 0.06 0.18 -2.65 0.00 0.00 0.00 175.10 172.93 3hgk n PRO 178 N 5.42 -0.04 -3.09 2.72 -0.02 -1.26 -3.16 135.00 135.56 3hgk n PRO 178 Ca -0.01 0.02 0.01 0.00 -2.02 0.00 0.00 63.50 61.51 3hgk n PRO 178 Cb 0.49 -1.64 -0.01 0.00 -0.02 0.00 0.00 33.50 32.33 3hgk n PRO 178 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3hgk s LYS 179 N -2.92 0.63 0.22 -0.52 -0.14 -0.95 -4.36 119.74 111.70 3hgk s LYS 179 Ca 0.56 -0.17 -0.32 0.00 -1.36 0.00 0.00 55.97 54.68 3hgk s LYS 179 Cb -0.26 0.09 -0.13 0.00 -1.68 0.00 0.00 37.83 35.84 3hgk s LYS 179 CO 0.67 -0.93 1.54 -0.89 -0.76 0.00 0.00 175.35 174.99 3hgk n ILE 180 N 4.29 0.49 -4.63 2.17 2.08 -1.19 -2.82 119.36 119.75 3hgk n ILE 180 Ca 0.09 -0.12 -0.29 0.00 0.56 0.00 0.00 62.75 62.99 3hgk n ILE 180 Cb 0.59 -1.64 -0.07 0.00 -0.75 0.00 0.00 39.64 37.76 3hgk n ILE 180 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 3hgk s THR 181 N 0.46 0.69 -0.17 1.39 -1.32 0.34 -1.07 115.64 115.96 3hgk s THR 181 Ca 0.72 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 59.16 3hgk s THR 181 Cb -0.62 -2.17 0.02 0.00 -1.51 0.00 0.00 72.50 68.21 3hgk s THR 181 CO 0.43 0.00 0.08 -0.67 -2.21 0.00 0.00 174.62 172.25 3hgk n ASP 182 N -1.41 -5.25 -0.37 8.08 -0.08 -1.26 -4.90 116.55 111.35 3hgk n ASP 182 Ca -0.12 1.17 0.06 0.00 -1.51 0.00 0.00 54.79 54.39 3hgk n ASP 182 Cb 0.65 -4.14 0.02 0.00 2.34 0.00 0.00 41.12 39.99 3hgk n ASP 182 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3hgk n PHE 183 N 1.40 0.00 -0.46 -0.67 3.01 -1.26 -4.67 117.46 114.82 3hgk n PHE 183 Ca -0.14 0.00 0.41 0.00 1.01 0.00 0.00 57.45 58.73 3hgk n PHE 183 Cb 0.30 0.00 0.65 0.00 -0.01 0.00 0.00 39.48 40.42 3hgk n PHE 183 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3hgk h GLY 184 N 2.61 0.00 0.85 1.37 0.00 -1.86 0.58 103.07 106.61 3hgk h GLY 184 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 3hgk h GLY 184 CO 0.00 0.00 -1.60 1.39 0.00 0.00 0.00 176.54 176.33 3hgk n ILE 185 N -3.63 1.26 -1.58 2.60 2.08 -1.26 -4.47 119.36 114.35 3hgk n ILE 185 Ca 0.34 -0.72 -0.40 0.00 0.56 0.00 0.00 62.75 62.52 3hgk n ILE 185 Cb 1.75 -0.76 0.02 0.00 -0.75 0.00 0.00 39.64 39.91 3hgk n ILE 185 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3hgk n SER 186 N -2.89 0.72 -4.21 4.38 3.41 0.20 -4.86 113.62 110.38 3hgk n SER 186 Ca -0.13 0.93 -0.28 0.00 -0.26 0.00 0.00 58.87 59.12 3hgk n SER 186 Cb 0.91 -1.33 -0.16 0.00 -0.26 0.00 0.00 64.21 63.37 3hgk n SER 186 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3hgk s LYS 187 N -2.19 2.00 0.17 4.33 2.47 -0.70 -4.97 119.74 120.85 3hgk s LYS 187 Ca 0.67 -0.76 0.02 0.00 -1.56 0.00 0.00 55.97 54.33 3hgk s LYS 187 Cb -0.51 -1.79 -0.04 0.00 -1.46 0.00 0.00 37.83 34.03 3hgk s LYS 187 CO 0.54 0.37 0.32 0.21 0.16 0.00 0.00 175.35 176.95 3hgk s LYS 188 N -0.24 3.46 0.31 4.03 2.20 -1.26 -1.02 119.74 127.21 3hgk s LYS 188 Ca 0.01 -0.53 0.10 0.00 -0.36 0.00 0.00 55.97 55.19 3hgk s LYS 188 Cb -0.11 -2.93 -0.05 0.00 -1.51 0.00 0.00 37.83 33.23 3hgk s LYS 188 CO 0.01 0.48 -0.06 0.20 -0.36 0.00 0.00 175.35 175.63 3hgk s GLY 189 N -3.25 1.93 -0.11 5.54 0.00 0.11 -4.97 107.32 106.56 3hgk s GLY 189 Ca 0.36 -1.87 -0.07 0.00 0.00 0.00 0.00 44.72 43.14 3hgk s GLY 189 CO 0.29 -1.88 -0.13 -0.84 0.00 0.00 0.00 173.10 170.53 3hgk h THR 190 N 1.97 0.00 0.00 0.90 2.02 -1.96 -3.38 112.91 112.45 3hgk h THR 190 Ca -0.42 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 65.92 3hgk h THR 190 Cb 1.25 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3hgk h THR 190 CO 0.64 0.00 0.00 1.21 0.37 0.00 0.00 175.52 177.74 3hgk n GLU 191 N -4.23 0.40 -1.55 6.66 4.07 -1.26 -4.86 120.64 119.86 3hgk n GLU 191 Ca -0.05 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 56.99 3hgk n GLU 191 Cb 0.19 -1.22 0.01 0.00 -0.06 0.00 0.00 31.44 30.35 3hgk n GLU 191 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3hgk n LEU 192 N 0.43 -0.98 0.00 4.31 4.77 -1.26 -3.00 117.00 121.26 3hgk n LEU 192 Ca 0.00 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3hgk n LEU 192 Cb 0.12 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 3hgk n LEU 192 CO 0.00 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.42 3hgk n GLY 193 N 0.40 2.47 0.00 -0.72 0.00 -1.26 -4.81 105.19 101.27 3hgk n GLY 193 Ca -0.01 -0.73 0.09 0.00 0.00 0.00 0.00 46.02 45.37 3hgk n GLY 193 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hgk n GLN 194 N 0.00 0.36 -1.66 1.61 6.02 -1.16 -4.82 117.38 117.72 3hgk n GLN 194 Ca 0.00 0.08 -0.48 0.00 -0.01 0.00 0.00 57.00 56.59 3hgk n GLN 194 Cb 0.00 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.71 3hgk n GLN 194 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3hgk n THR 195 N -1.19 0.18 -3.14 5.09 -2.24 -1.26 -4.92 114.28 106.81 3hgk n THR 195 Ca 0.10 -0.03 -0.23 0.00 -2.27 0.00 0.00 64.05 61.62 3hgk n THR 195 Cb 0.11 -1.50 -0.05 0.00 -2.10 0.00 0.00 70.33 66.80 3hgk n THR 195 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hgk n HIS 196 N 4.28 1.90 0.00 4.78 1.44 -1.26 -4.21 115.22 122.15 3hgk n HIS 196 Ca 0.19 -3.89 0.00 0.00 -2.01 0.00 0.00 57.72 52.01 3hgk n HIS 196 Cb 0.26 -0.45 0.00 0.00 0.12 0.00 0.00 29.99 29.92 3hgk n HIS 196 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 3hgk n LEU 197 N 0.35 0.00 -4.67 2.39 -0.00 -0.51 -4.73 117.00 109.83 3hgk n LEU 197 Ca 0.27 0.00 -0.45 0.00 -0.00 0.00 0.00 56.01 55.84 3hgk n LEU 197 Cb 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.90 3hgk n LEU 197 CO 0.28 0.00 1.51 0.52 -0.00 0.00 0.00 177.39 179.70 3hgk n VAL 200 N 0.00 0.58 -1.59 1.47 0.31 -1.26 0.55 118.33 118.39 3hgk n VAL 200 Ca 0.00 -0.10 -0.52 0.00 -0.01 0.00 0.00 64.34 63.71 3hgk n VAL 200 Cb 0.00 -2.08 -0.06 0.00 -0.91 0.00 0.00 33.84 30.80 3hgk n VAL 200 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3hgk n VAL 201 N 5.10 0.00 -3.82 2.52 0.31 -1.26 -5.00 118.33 116.19 3hgk n VAL 201 Ca 0.20 -0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.41 3hgk n VAL 201 Cb 0.35 -0.84 -0.11 0.00 -0.91 0.00 0.00 33.84 32.34 3hgk n VAL 201 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3hgk s LYS 202 N 0.50 0.37 0.00 5.55 1.02 -1.26 -5.15 119.74 120.76 3hgk s LYS 202 Ca 0.84 0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.85 3hgk s LYS 202 Cb -0.95 0.16 0.00 0.00 -0.52 0.00 0.00 37.83 36.53 3hgk s LYS 202 CO 0.47 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 3hgk n GLY 203 N 2.29 1.00 3.72 -3.33 0.00 -1.26 -4.80 105.19 102.82 3hgk n GLY 203 Ca -0.17 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 3hgk n GLY 203 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hgk s THR 204 N -1.50 4.33 0.55 2.61 2.01 -1.26 -4.94 115.64 117.44 3hgk s THR 204 Ca 0.00 1.85 0.34 0.00 0.31 0.00 0.00 61.69 64.19 3hgk s THR 204 Cb 0.00 -4.18 0.52 0.00 0.01 0.00 0.00 72.50 68.84 3hgk s THR 204 CO 0.00 0.24 1.83 0.25 -0.69 0.00 0.00 174.62 176.26 3hgk h LEU 205 N 5.90 0.00 0.00 4.42 5.85 -2.00 -2.06 115.31 127.43 3hgk h LEU 205 Ca -0.43 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.14 3hgk h LEU 205 Cb 1.21 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 3hgk h LEU 205 CO 0.74 0.00 -1.57 0.61 -0.34 0.00 0.00 178.44 177.88 3hgk n GLY 206 N -1.73 -1.17 0.02 3.75 0.00 -1.26 -4.48 105.19 100.32 3hgk n GLY 206 Ca 0.22 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.15 3hgk n GLY 206 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hgk n TYR 207 N -2.78 0.18 -1.40 1.61 4.02 -0.80 -4.92 117.16 113.08 3hgk n TYR 207 Ca -0.11 0.05 -0.37 0.00 -0.01 0.00 0.00 57.90 57.46 3hgk n TYR 207 Cb 0.82 -0.35 0.05 0.00 -0.02 0.00 0.00 39.34 39.84 3hgk n TYR 207 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3hgk n ILE 208 N -1.82 2.19 -2.37 -0.72 2.08 -1.06 -3.70 119.36 113.96 3hgk n ILE 208 Ca 0.03 -0.46 -0.43 0.00 0.56 0.00 0.00 62.75 62.45 3hgk n ILE 208 Cb 0.40 -0.73 -0.02 0.00 -0.75 0.00 0.00 39.64 38.54 3hgk n ILE 208 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3hgk s ASP 209 N -1.28 6.72 0.26 4.38 -1.08 -1.26 -4.84 116.67 119.56 3hgk s ASP 209 Ca 0.68 1.44 -0.05 0.00 -0.52 0.00 0.00 52.55 54.10 3hgk s ASP 209 Cb -0.41 -2.54 0.30 0.00 -1.46 0.00 0.00 42.92 38.82 3hgk s ASP 209 CO 0.55 -1.00 1.93 1.55 0.52 0.00 0.00 175.17 178.72 3hgk h PRO 210 N 9.16 1.27 -0.60 4.34 0.13 -1.91 0.27 132.00 144.66 3hgk h PRO 210 Ca -0.28 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 64.71 3hgk h PRO 210 Cb 1.11 -0.29 -0.02 0.00 0.13 0.00 0.00 31.00 31.93 3hgk h PRO 210 CO 1.01 0.84 0.11 1.49 -0.23 0.00 0.00 178.00 181.22 3hgk h GLU 211 N 1.31 0.98 0.17 0.86 4.81 -1.92 -0.25 114.58 120.55 3hgk h GLU 211 Ca 0.37 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3hgk h GLU 211 Cb -0.10 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 3hgk h GLU 211 CO -0.09 0.92 -0.37 -0.92 -0.73 0.00 0.00 179.01 177.82 3hgk h TYR 212 N 0.89 -1.07 0.05 0.92 5.03 -1.53 -2.12 116.97 119.14 3hgk h TYR 212 Ca 0.18 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.53 3hgk h TYR 212 Cb 0.41 0.44 -0.05 0.00 1.55 0.00 0.00 36.73 39.08 3hgk h TYR 212 CO 0.03 -0.44 -0.49 0.35 -1.32 0.00 0.00 178.16 176.28 3hgk h PHE 213 N -0.60 -1.44 -0.70 -3.82 3.57 -0.33 3.43 116.94 117.05 3hgk h PHE 213 Ca -0.02 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3hgk h PHE 213 Cb 0.57 0.62 -0.03 0.00 2.79 0.00 0.00 35.95 39.90 3hgk h PHE 213 CO -0.34 -0.54 0.39 -0.84 -2.23 0.00 0.00 178.31 174.75 3hgk h ILE 214 N -0.65 1.21 0.10 1.41 3.07 -1.11 -3.28 117.51 118.26 3hgk h ILE 214 Ca 0.00 -0.52 -0.34 0.00 1.55 0.00 0.00 64.86 65.55 3hgk h ILE 214 Cb 0.68 0.28 -0.02 0.00 -0.27 0.00 0.00 36.82 37.49 3hgk h ILE 214 CO -0.30 0.23 -1.84 0.29 -1.05 0.00 0.00 178.15 175.48 3hgk n LYS 215 N -4.50 0.72 -0.07 0.16 5.02 -0.80 -5.00 118.16 113.69 3hgk n LYS 215 Ca 0.06 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 3hgk n LYS 215 Cb 0.08 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 3hgk n LYS 215 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hgk n GLY 216 N 1.87 0.96 3.59 0.72 0.00 1.14 -5.06 105.19 108.42 3hgk n GLY 216 Ca -0.32 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 3hgk n GLY 216 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hgk s ARG 217 N -0.73 3.95 -0.30 1.61 1.70 -1.15 -4.90 118.95 119.12 3hgk s ARG 217 Ca 0.00 -0.33 -0.11 0.00 -0.47 0.00 0.00 55.73 54.82 3hgk s ARG 217 Cb 0.00 -3.56 -0.04 0.00 -0.57 0.00 0.00 34.95 30.78 3hgk s ARG 217 CO 0.00 -0.09 0.20 -1.17 -1.08 0.00 0.00 175.30 173.16 3hgk s LEU 218 N 1.48 4.18 0.25 -1.89 2.96 0.19 -4.29 118.68 121.57 3hgk s LEU 218 Ca 0.07 -0.19 0.11 0.00 -0.22 0.00 0.00 54.13 53.90 3hgk s LEU 218 Cb -0.15 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 3hgk s LEU 218 CO 0.08 -0.12 -0.19 0.42 -1.32 0.00 0.00 176.35 175.22 3hgk s THR 219 N 1.73 2.28 -0.56 3.68 -4.23 -1.26 -1.42 115.64 115.87 3hgk s THR 219 Ca 0.07 -2.33 0.16 0.00 -1.18 0.00 0.00 61.69 58.41 3hgk s THR 219 Cb -0.17 -2.22 0.16 0.00 1.34 0.00 0.00 72.50 71.62 3hgk s THR 219 CO 0.10 -0.42 1.50 -1.84 -0.54 0.00 0.00 174.62 173.42 3hgk n GLU 220 N -0.48 0.10 0.24 3.99 0.28 -1.26 -1.31 120.64 122.20 3hgk n GLU 220 Ca -0.06 0.50 0.13 0.00 -0.16 0.00 0.00 57.16 57.57 3hgk n GLU 220 Cb 0.60 -1.77 0.35 0.00 1.43 0.00 0.00 31.44 32.04 3hgk n GLU 220 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 3hgk h LYS 221 N 0.00 0.00 0.00 3.44 1.79 -1.93 -3.00 116.57 116.86 3hgk h LYS 221 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 3hgk h LYS 221 Cb 0.13 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 3hgk h LYS 221 CO 0.00 0.03 -0.18 0.77 -1.08 0.00 0.00 179.45 178.99 3hgk h SER 222 N 0.00 0.00 0.43 0.86 0.02 -1.59 0.72 113.55 113.99 3hgk h SER 222 Ca -0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 3hgk h SER 222 Cb 0.84 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 3hgk h SER 222 CO 0.00 0.18 -0.52 0.44 -1.14 0.00 0.00 176.83 175.79 3hgk h ASP 223 N 0.00 0.12 0.54 3.07 3.32 -1.68 -3.17 116.42 118.62 3hgk h ASP 223 Ca -0.00 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3hgk h ASP 223 Cb 0.37 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.89 3hgk h ASP 223 CO 0.02 0.62 -0.26 0.58 -1.72 0.00 0.00 179.24 178.48 3hgk h VAL 224 N 0.09 0.45 -0.68 -1.35 2.07 -0.94 -1.84 116.25 114.04 3hgk h VAL 224 Ca -0.00 -0.11 0.13 0.00 0.82 0.00 0.00 66.70 67.55 3hgk h VAL 224 Cb 0.95 0.50 -0.13 0.00 -1.52 0.00 0.00 31.29 31.09 3hgk h VAL 224 CO 0.07 0.02 -0.21 0.22 0.02 0.00 0.00 177.57 177.69 3hgk h TYR 225 N -0.80 -0.48 -0.21 1.57 3.20 -1.34 0.41 116.97 119.32 3hgk h TYR 225 Ca -0.07 0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.90 3hgk h TYR 225 Cb 0.59 0.32 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 3hgk h TYR 225 CO -0.02 -0.32 -0.02 0.77 -1.64 0.00 0.00 178.16 176.93 3hgk h SER 226 N -0.03 -0.13 -0.99 -2.11 0.02 -1.52 -1.47 113.55 107.33 3hgk h SER 226 Ca 0.32 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.35 3hgk h SER 226 Cb 0.52 0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.11 3hgk h SER 226 CO -0.72 -0.04 0.65 0.15 -1.14 0.00 0.00 176.83 175.73 3hgk h PHE 227 N 0.04 1.22 -0.88 3.45 3.57 -0.11 -1.06 116.94 123.17 3hgk h PHE 227 Ca 0.10 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3hgk h PHE 227 Cb 0.14 -0.41 -0.05 0.00 2.79 0.00 0.00 35.95 38.42 3hgk h PHE 227 CO -0.20 0.73 0.58 0.78 -2.23 0.00 0.00 178.31 177.97 3hgk h GLY 228 N 1.28 1.24 0.88 2.40 0.00 0.45 0.27 103.07 109.59 3hgk h GLY 228 Ca 0.38 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3hgk h GLY 228 CO -0.11 0.43 -0.07 -2.08 0.00 0.00 0.00 176.54 174.71 3hgk h VAL 229 N 1.17 0.91 -0.85 4.60 2.07 -0.61 -2.56 116.25 120.97 3hgk h VAL 229 Ca 0.33 -0.27 0.20 0.00 0.82 0.00 0.00 66.70 67.78 3hgk h VAL 229 Cb -0.10 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3hgk h VAL 229 CO -0.08 0.06 0.57 0.58 0.02 0.00 0.00 177.57 178.72 3hgk h VAL 230 N -0.33 0.69 0.81 2.57 2.07 -0.27 0.28 116.25 122.06 3hgk h VAL 230 Ca -0.02 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 3hgk h VAL 230 Cb 0.26 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3hgk h VAL 230 CO 0.03 0.06 -0.44 -0.07 0.02 0.00 0.00 177.57 177.18 3hgk h LEU 231 N 0.34 -1.08 0.02 2.57 3.38 -0.09 0.06 115.31 120.51 3hgk h LEU 231 Ca 0.43 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.48 3hgk h LEU 231 Cb 1.16 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 42.17 3hgk h LEU 231 CO -0.13 -0.71 -0.20 -0.26 0.09 0.00 0.00 178.44 177.22 3hgk h PHE 232 N -1.15 -0.53 -1.37 1.13 0.04 -1.01 0.25 116.94 114.29 3hgk h PHE 232 Ca -0.11 0.02 0.40 0.00 2.80 0.00 0.00 57.97 61.08 3hgk h PHE 232 Cb 0.91 0.23 -0.05 0.00 2.20 0.00 0.00 35.95 39.24 3hgk h PHE 232 CO -0.06 -0.29 1.11 1.49 -0.60 0.00 0.00 178.31 179.96 3hgk h GLU 233 N -0.33 0.00 0.09 1.51 4.81 -0.36 0.63 114.58 120.92 3hgk h GLU 233 Ca 0.05 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.06 3hgk h GLU 233 Cb 0.40 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 3hgk h GLU 233 CO -0.18 0.00 -1.12 0.28 -0.73 0.00 0.00 179.01 177.27 3hgk h VAL 234 N 0.00 1.19 0.60 0.32 2.07 0.15 -2.89 116.25 117.69 3hgk h VAL 234 Ca 0.65 -2.38 -0.03 0.00 0.82 0.00 0.00 66.70 65.76 3hgk h VAL 234 Cb 2.87 2.80 0.01 0.00 -1.52 0.00 0.00 31.29 35.45 3hgk h VAL 234 CO -0.01 0.64 -0.29 0.25 0.02 0.00 0.00 177.57 178.18 3hgk h LEU 235 N -0.51 -0.69 -0.35 2.57 5.85 0.14 -3.29 115.31 119.03 3hgk h LEU 235 Ca -0.25 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.33 3hgk h LEU 235 Cb 1.58 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 3hgk h LEU 235 CO 0.03 -0.42 -0.30 0.00 -0.34 0.00 0.00 178.44 177.40 3hgk n ALA 237 N -2.51 0.00 -1.06 0.00 0.00 -1.09 -2.14 120.51 113.70 3hgk n ALA 237 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.09 3hgk n ALA 237 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 3hgk n ALA 237 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3hgk n ARG 238 N -2.65 2.35 0.00 0.00 0.00 -1.26 -4.33 116.66 110.77 3hgk n ARG 238 Ca 0.00 -1.82 0.00 0.00 -0.00 0.00 0.00 57.85 56.03 3hgk n ARG 238 Cb 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 32.46 29.74 3hgk n ARG 238 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3hgk n SER 239 N 5.07 0.00 0.06 6.15 2.88 -1.26 -0.81 113.62 125.71 3hgk n SER 239 Ca 0.53 0.06 -0.09 0.00 -1.33 0.00 0.00 58.87 58.04 3hgk n SER 239 Cb 0.24 -0.06 0.04 0.00 -0.75 0.00 0.00 64.21 63.69 3hgk n SER 239 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hgk h ALA 240 N 0.48 0.64 -0.33 -1.46 0.00 -1.88 -3.46 119.26 113.24 3hgk h ALA 240 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3hgk h ALA 240 Cb 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hgk h ALA 240 CO 0.00 0.77 0.00 1.51 0.00 0.00 0.00 179.25 181.53 3hgk n ILE 241 N -3.83 0.00 -3.12 0.00 3.06 0.01 -3.97 119.36 111.52 3hgk n ILE 241 Ca -0.04 0.00 -0.44 0.00 -2.50 0.00 0.00 62.75 59.77 3hgk n ILE 241 Cb 0.70 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.83 3hgk n ILE 241 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 3hgk s VAL 242 N 0.00 4.82 -0.29 9.51 0.11 -1.26 -0.65 120.40 132.64 3hgk s VAL 242 Ca 0.00 -0.71 -0.06 0.00 -2.93 0.00 0.00 61.98 58.28 3hgk s VAL 242 Cb 0.00 -4.41 0.01 0.00 -1.53 0.00 0.00 36.38 30.46 3hgk s VAL 242 CO 0.00 -0.98 0.06 -1.58 -3.33 0.00 0.00 175.10 169.26 3hgk s GLN 243 N 2.73 3.00 -0.50 1.54 2.00 -0.21 -5.02 119.66 123.20 3hgk s GLN 243 Ca 0.14 -0.91 -0.02 0.00 -2.00 0.00 0.00 55.36 52.57 3hgk s GLN 243 Cb -0.21 -3.32 0.29 0.00 0.80 0.00 0.00 33.01 30.57 3hgk s GLN 243 CO 0.09 -0.46 2.12 0.43 -0.50 0.00 0.00 175.29 176.98 3hgk n SER 244 N 4.83 6.99 0.00 6.67 7.64 -1.26 -4.37 113.62 134.11 3hgk n SER 244 Ca -0.15 -3.39 0.00 0.00 1.01 0.00 0.00 58.87 56.34 3hgk n SER 244 Cb 0.47 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 3hgk n SER 244 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hgk n LEU 245 N -0.10 0.01 0.00 -3.43 4.77 -1.26 -5.11 117.00 111.88 3hgk n LEU 245 Ca 0.46 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 3hgk n LEU 245 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3hgk n LEU 245 CO 0.53 0.00 0.00 -2.65 -1.33 0.00 0.00 177.39 173.94 3hgk n PRO 246 N -0.61 0.72 0.00 3.23 -0.02 -1.26 -5.09 135.00 131.97 3hgk n PRO 246 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3hgk n PRO 246 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.50 3hgk n PRO 246 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hgk n ARG 247 N 0.00 0.79 -0.04 -0.52 5.12 -1.26 -4.88 116.66 115.88 3hgk n ARG 247 Ca 0.00 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.04 3hgk n ARG 247 Cb 0.00 0.00 0.50 0.00 -1.16 0.00 0.00 32.46 31.80 3hgk n ARG 247 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 3hgk n GLU 248 N 0.00 1.55 -0.72 5.56 2.13 -1.26 -4.07 120.64 123.83 3hgk n GLU 248 Ca 0.00 -0.81 -0.07 0.00 0.66 0.00 0.00 57.16 56.93 3hgk n GLU 248 Cb 0.00 -1.42 -0.01 0.00 0.27 0.00 0.00 31.44 30.28 3hgk n GLU 248 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hgk n MET 249 N 0.01 1.41 -0.03 5.31 0.00 -1.26 -4.50 117.12 118.06 3hgk n MET 249 Ca 0.18 -0.67 -0.13 0.00 0.00 0.00 0.00 57.70 57.07 3hgk n MET 249 Cb 0.28 -1.34 -0.11 0.00 0.00 0.00 0.00 33.22 32.06 3hgk n MET 249 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 3hgk h VAL 250 N 1.16 1.49 -3.40 3.17 3.04 -1.77 -3.43 116.25 116.51 3hgk h VAL 250 Ca 0.12 -1.51 -0.69 0.00 -1.01 0.00 0.00 66.70 63.62 3hgk h VAL 250 Cb 1.02 2.48 -0.18 0.00 -2.01 0.00 0.00 31.29 32.59 3hgk h VAL 250 CO 0.29 0.40 -0.06 0.21 -1.01 0.00 0.00 177.57 177.39 3hgk s ASN 251 N -5.91 6.22 0.35 3.17 3.84 -1.26 -1.05 114.94 120.30 3hgk s ASN 251 Ca -0.16 -0.79 0.15 0.00 0.21 0.00 0.00 52.86 52.27 3hgk s ASN 251 Cb 0.01 -2.26 1.16 0.00 -0.55 0.00 0.00 41.25 39.60 3hgk s ASN 251 CO 0.69 -0.75 1.61 0.25 -2.79 0.00 0.00 177.10 176.11 3hgk h LEU 252 N 9.39 0.25 0.07 3.21 5.85 -1.16 0.20 115.31 133.13 3hgk h LEU 252 Ca -0.27 0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3hgk h LEU 252 Cb 1.10 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 3hgk h LEU 252 CO 0.89 -0.32 -0.05 0.00 -0.34 0.00 0.00 178.44 178.62 3hgk h ALA 253 N 1.94 -0.89 -1.05 1.25 0.00 -1.93 0.21 119.26 118.79 3hgk h ALA 253 Ca 0.76 -0.02 0.27 0.00 0.00 0.00 0.00 54.91 55.92 3hgk h ALA 253 Cb 1.88 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 19.77 3hgk h ALA 253 CO -0.73 -0.89 0.67 1.49 0.00 0.00 0.00 179.25 179.79 3hgk h GLU 254 N -0.12 0.39 0.01 0.00 4.81 -1.37 0.97 114.58 119.26 3hgk h GLU 254 Ca -0.01 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 3hgk h GLU 254 Cb 0.10 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.40 3hgk h GLU 254 CO 0.01 0.26 -0.29 2.35 -0.73 0.00 0.00 179.01 180.60 3hgk h TRP 255 N 0.40 0.28 -0.00 0.92 -0.00 -0.56 -2.87 115.95 114.11 3hgk h TRP 255 Ca 0.61 -0.16 0.00 0.00 -0.00 0.00 0.00 58.89 59.35 3hgk h TRP 255 Cb 1.53 -0.03 0.00 0.00 -0.00 0.00 0.00 29.16 30.66 3hgk h TRP 255 CO -0.00 0.99 -0.07 0.00 -0.00 0.00 0.00 178.44 179.35 3hgk n ALA 256 N -2.56 2.53 -0.02 2.65 0.00 0.74 -3.16 120.51 120.69 3hgk n ALA 256 Ca -0.10 -0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.04 3hgk n ALA 256 Cb 0.54 -1.42 -0.12 0.00 0.00 0.00 0.00 19.45 18.45 3hgk n ALA 256 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hgk h VAL 257 N 0.02 1.57 -1.02 0.00 2.07 -0.88 -3.14 116.25 114.86 3hgk h VAL 257 Ca 0.00 -2.04 0.25 0.00 0.82 0.00 0.00 66.70 65.73 3hgk h VAL 257 Cb 0.48 2.86 -0.10 0.00 -1.52 0.00 0.00 31.29 33.01 3hgk h VAL 257 CO 0.00 0.56 0.65 -0.33 0.02 0.00 0.00 177.57 178.46 3hgk h GLU 258 N -0.53 0.46 0.00 1.57 4.39 -1.46 -1.71 114.58 117.30 3hgk h GLU 258 Ca -0.04 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3hgk h GLU 258 Cb 1.06 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 3hgk h GLU 258 CO 0.05 0.30 -0.03 0.77 -1.16 0.00 0.00 179.01 178.94 3hgk h SER 259 N 0.47 0.00 -0.02 1.42 0.02 -1.67 0.12 113.55 113.89 3hgk h SER 259 Ca 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.55 3hgk h SER 259 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 3hgk h SER 259 CO -0.33 0.19 0.00 1.57 -1.14 0.00 0.00 176.83 177.12 3hgk n HIS 260 N -2.97 0.03 -0.02 3.45 -0.00 -1.19 0.11 115.22 114.63 3hgk n HIS 260 Ca -0.00 -0.01 -0.01 0.00 0.46 0.00 0.00 57.72 58.15 3hgk n HIS 260 Cb 0.02 -0.01 -0.03 0.00 -0.12 0.00 0.00 29.99 29.85 3hgk n HIS 260 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 3hgk n ASN 261 N -0.42 4.07 0.00 0.26 2.85 -0.64 -4.77 115.26 116.61 3hgk n ASN 261 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 3hgk n ASN 261 Cb 0.03 0.67 0.00 0.00 1.24 0.00 0.00 39.78 41.72 3hgk n ASN 261 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3hgk n ASN 262 N -2.07 0.00 0.00 1.20 3.02 -1.17 -5.03 115.26 111.20 3hgk n ASN 262 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 3hgk n ASN 262 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 3hgk n ASN 262 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hgk n GLY 263 N 0.00 0.00 0.00 7.41 0.00 0.42 -4.00 105.19 109.02 3hgk n GLY 263 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hgk n GLY 263 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hgk n GLN 264 N 0.00 1.98 -2.74 1.61 0.00 0.31 -4.96 117.38 113.57 3hgk n GLN 264 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.00 56.84 3hgk n GLN 264 Cb 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 30.24 29.97 3hgk n GLN 264 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3hgk n LEU 265 N -0.21 -2.29 -4.45 1.69 7.94 0.31 -4.81 117.00 115.18 3hgk n LEU 265 Ca 0.00 -0.18 -0.55 0.00 -1.11 0.00 0.00 56.01 54.17 3hgk n LEU 265 Cb 0.00 -2.30 -0.09 0.00 0.53 0.00 0.00 43.42 41.56 3hgk n LEU 265 CO 0.00 0.13 1.68 -0.62 -1.11 0.00 0.00 177.39 177.46 3hgk n GLU 266 N -3.05 0.75 -0.42 1.96 1.02 -1.26 -4.77 120.64 114.87 3hgk n GLU 266 Ca -0.10 0.22 0.08 0.00 -0.02 0.00 0.00 57.16 57.35 3hgk n GLU 266 Cb 0.60 -2.09 0.28 0.00 -0.02 0.00 0.00 31.44 30.20 3hgk n GLU 266 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hgk n GLN 267 N 7.37 2.89 0.02 3.49 6.02 -1.26 -3.62 117.38 132.30 3hgk n GLN 267 Ca 0.42 -2.20 0.11 0.00 -0.01 0.00 0.00 57.00 55.32 3hgk n GLN 267 Cb 0.13 -1.66 0.07 0.00 1.02 0.00 0.00 30.24 29.80 3hgk n GLN 267 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3hgk n ILE 268 N 0.97 0.15 0.98 5.09 5.41 -1.26 -4.41 119.36 126.29 3hgk n ILE 268 Ca 0.20 -0.19 0.13 0.00 1.00 0.00 0.00 62.75 63.89 3hgk n ILE 268 Cb 0.65 0.22 0.43 0.00 -0.71 0.00 0.00 39.64 40.23 3hgk n ILE 268 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3hgk n VAL 269 N -1.87 0.02 -2.81 1.39 0.31 -1.24 -4.89 118.33 109.24 3hgk n VAL 269 Ca 0.03 -0.01 -0.20 0.00 -0.01 0.00 0.00 64.34 64.14 3hgk n VAL 269 Cb 0.41 -0.13 0.03 0.00 -0.91 0.00 0.00 33.84 33.23 3hgk n VAL 269 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 3hgk s ASP 270 N -3.05 5.48 0.00 4.52 -4.77 -1.26 -4.33 116.67 113.25 3hgk s ASP 270 Ca 0.12 -0.05 0.00 0.00 -3.30 0.00 0.00 52.55 49.32 3hgk s ASP 270 Cb 0.18 -0.96 0.00 0.00 -1.09 0.00 0.00 42.92 41.05 3hgk s ASP 270 CO 0.62 -0.96 0.00 -0.81 0.70 0.00 0.00 175.17 174.72 3hgk n PRO 271 N -2.17 3.47 -0.68 2.11 -0.04 -0.91 -4.76 135.00 132.02 3hgk n PRO 271 Ca 0.06 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.46 3hgk n PRO 271 Cb 0.59 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.96 3hgk n PRO 271 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3hgk n ASN 272 N 0.00 4.32 -0.40 3.54 4.05 -1.26 -4.01 115.26 121.51 3hgk n ASN 272 Ca 0.00 -2.25 0.01 0.00 0.45 0.00 0.00 54.58 52.79 3hgk n ASN 272 Cb 0.00 -1.08 0.05 0.00 1.23 0.00 0.00 39.78 39.98 3hgk n ASN 272 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3hgk n LEU 273 N 2.25 0.99 0.00 1.20 4.77 -1.26 -4.98 117.00 119.96 3hgk n LEU 273 Ca 0.23 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 3hgk n LEU 273 Cb 0.63 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3hgk n LEU 273 CO 0.09 0.20 0.00 0.00 -1.33 0.00 0.00 177.39 176.36 3hgk n ALA 274 N -0.09 0.00 -3.47 -1.18 0.00 -1.26 -2.76 120.51 111.75 3hgk n ALA 274 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 3hgk n ALA 274 Cb 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.62 3hgk n ALA 274 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hgk s ASP 275 N -3.80 6.36 0.00 0.00 1.01 -1.26 -4.66 116.67 114.32 3hgk s ASP 275 Ca 0.00 -3.02 0.00 0.00 0.71 0.00 0.00 52.55 50.24 3hgk s ASP 275 Cb 0.00 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.85 3hgk s ASP 275 CO 0.00 -0.42 0.00 0.29 0.21 0.00 0.00 175.17 175.25 3hgk n LYS 276 N 3.42 3.65 -3.24 8.23 5.02 -1.11 -5.04 118.16 129.09 3hgk n LYS 276 Ca 0.15 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 56.04 3hgk n LYS 276 Cb 0.42 -0.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.86 3hgk n LYS 276 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hgk s ILE 277 N -0.48 5.07 -0.01 -0.18 1.01 -1.26 -4.97 121.20 120.39 3hgk s ILE 277 Ca 0.00 0.89 -0.30 0.00 0.00 0.00 0.00 60.65 61.24 3hgk s ILE 277 Cb 0.00 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.57 3hgk s ILE 277 CO 0.00 0.10 1.84 -0.60 0.00 0.00 0.00 174.94 176.28 3hgk s ARG 278 N 2.24 4.12 0.44 2.79 3.52 -1.26 -4.81 118.95 125.98 3hgk s ARG 278 Ca 0.21 2.41 0.38 0.00 -0.13 0.00 0.00 55.73 58.60 3hgk s ARG 278 Cb -0.16 -4.09 1.39 0.00 -1.56 0.00 0.00 34.95 30.53 3hgk s ARG 278 CO 0.09 -0.95 1.30 -0.35 -0.81 0.00 0.00 175.30 174.59 3hgk n PRO 279 N 7.41 -0.01 0.02 5.12 -0.04 -1.26 0.50 135.00 146.74 3hgk n PRO 279 Ca 0.19 0.95 -0.10 0.00 -0.04 0.00 0.00 63.50 64.50 3hgk n PRO 279 Cb 0.42 -2.08 -0.08 0.00 -0.04 0.00 0.00 33.50 31.72 3hgk n PRO 279 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3hgk h GLU 280 N 0.00 -0.14 -0.59 0.54 4.81 -1.93 -1.44 114.58 115.85 3hgk h GLU 280 Ca 0.77 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 60.10 3hgk h GLU 280 Cb 2.93 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 32.31 3hgk h GLU 280 CO -0.12 0.35 0.39 0.66 -0.73 0.00 0.00 179.01 179.56 3hgk h SER 281 N -0.89 0.40 0.50 1.04 4.64 -0.22 -0.37 113.55 118.66 3hgk h SER 281 Ca -0.01 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 3hgk h SER 281 Cb 0.55 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3hgk h SER 281 CO 0.02 0.25 -0.24 0.25 -0.87 0.00 0.00 176.83 176.24 3hgk h LEU 282 N 0.45 -0.57 -1.90 5.97 5.85 -1.36 0.35 115.31 124.09 3hgk h LEU 282 Ca 0.27 -0.07 0.20 0.00 0.84 0.00 0.00 57.88 59.12 3hgk h LEU 282 Cb 0.45 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3hgk h LEU 282 CO -0.08 -0.22 0.62 -0.09 -0.34 0.00 0.00 178.44 178.33 3hgk h ARG 283 N -0.96 0.00 0.01 1.25 2.43 -0.10 0.15 114.38 117.16 3hgk h ARG 283 Ca -0.07 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3hgk h ARG 283 Cb 0.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3hgk h ARG 283 CO 0.11 0.00 -0.01 -0.22 -1.51 0.00 0.00 179.97 178.35 3hgk h LYS 284 N 0.00 -0.01 -1.16 0.20 1.63 -0.92 -2.61 116.57 113.70 3hgk h LYS 284 Ca 0.33 0.00 0.39 0.00 -0.85 0.00 0.00 60.65 60.52 3hgk h LYS 284 Cb 1.56 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 33.05 3hgk h LYS 284 CO -0.00 -0.01 0.71 0.35 -3.45 0.00 0.00 179.45 177.04 3hgk h PHE 285 N -0.07 0.70 0.29 1.91 3.57 0.11 0.37 116.94 123.82 3hgk h PHE 285 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3hgk h PHE 285 Cb 0.01 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.58 3hgk h PHE 285 CO 0.03 -0.22 -0.14 0.78 -2.23 0.00 0.00 178.31 176.53 3hgk h GLY 286 N 0.16 -0.41 -0.57 2.40 0.00 -0.93 -2.66 103.07 101.06 3hgk h GLY 286 Ca 0.78 0.15 0.30 0.00 0.00 0.00 0.00 47.33 48.57 3hgk h GLY 286 CO -0.52 -0.15 0.44 -1.80 0.00 0.00 0.00 176.54 174.52 3hgk h ASP 287 N -1.10 0.30 0.03 0.19 3.58 -0.19 -0.11 116.42 119.13 3hgk h ASP 287 Ca -0.04 0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 3hgk h ASP 287 Cb 0.32 0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.58 3hgk h ASP 287 CO 0.07 -0.18 -0.02 0.74 -2.88 0.00 0.00 179.24 176.96 3hgk h THR 288 N 0.25 0.00 -1.00 2.25 2.02 -0.52 -3.05 112.91 112.85 3hgk h THR 288 Ca 0.69 0.00 0.19 0.00 0.77 0.00 0.00 66.41 68.06 3hgk h THR 288 Cb 1.55 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.85 3hgk h THR 288 CO -0.65 0.00 0.61 0.00 0.37 0.00 0.00 175.52 175.85 3hgk h ALA 289 N -1.77 1.71 -0.71 6.16 0.00 -0.76 -0.58 119.26 123.31 3hgk h ALA 289 Ca -0.00 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3hgk h ALA 289 Cb 0.04 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3hgk h ALA 289 CO 0.00 -0.09 0.41 0.28 0.00 0.00 0.00 179.25 179.86 3hgk h VAL 290 N 0.74 1.00 -0.12 0.00 2.07 -1.10 -1.93 116.25 116.90 3hgk h VAL 290 Ca 0.58 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.74 3hgk h VAL 290 Cb 0.93 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3hgk h VAL 290 CO -0.37 0.14 -0.38 0.11 0.02 0.00 0.00 177.57 177.09 3hgk h LYS 291 N 0.76 0.26 0.00 1.57 1.57 -1.00 -2.13 116.57 117.59 3hgk h LYS 291 Ca 0.31 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3hgk h LYS 291 Cb 0.17 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3hgk h LYS 291 CO -0.17 0.60 -0.07 0.00 -0.57 0.00 0.00 179.45 179.24 3hgk n LEU 293 N -3.30 1.84 -4.34 0.00 4.77 -0.82 -3.09 117.00 112.06 3hgk n LEU 293 Ca -0.01 -0.61 -0.43 0.00 -0.03 0.00 0.00 56.01 54.93 3hgk n LEU 293 Cb 0.25 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 3hgk n LEU 293 CO 0.27 0.32 -0.27 0.00 -1.33 0.00 0.00 177.39 176.38 3hgk n ALA 294 N 0.17 -2.72 -0.22 -1.18 0.00 -0.98 -4.87 120.51 110.71 3hgk n ALA 294 Ca 0.14 0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.70 3hgk n ALA 294 Cb 0.44 -1.55 0.04 0.00 0.00 0.00 0.00 19.45 18.37 3hgk n ALA 294 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hgk h LEU 295 N 0.53 0.77 -8.98 0.00 3.38 -1.93 -3.40 115.31 105.67 3hgk h LEU 295 Ca -0.36 -0.08 -0.62 0.00 0.09 0.00 0.00 57.88 56.90 3hgk h LEU 295 Cb 1.44 -0.19 -0.18 0.00 0.09 0.00 0.00 40.66 41.81 3hgk h LEU 295 CO 0.49 0.63 -0.60 -0.94 0.09 0.00 0.00 178.44 178.11 3hgk s SER 296 N -5.91 5.29 0.58 -0.43 1.04 -1.26 -4.47 113.70 108.55 3hgk s SER 296 Ca -0.13 -0.01 0.35 0.00 0.48 0.00 0.00 55.95 56.64 3hgk s SER 296 Cb 0.13 -1.89 1.38 0.00 0.10 0.00 0.00 66.02 65.74 3hgk s SER 296 CO 0.77 0.17 1.62 0.77 0.98 0.00 0.00 173.24 177.55 3hgk h SER 297 N 6.75 0.00 -0.22 7.02 4.64 -1.96 -1.29 113.55 128.49 3hgk h SER 297 Ca -0.35 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.00 3hgk h SER 297 Cb 1.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 3hgk h SER 297 CO 0.67 0.00 -0.21 -0.08 -0.87 0.00 0.00 176.83 176.34 3hgk h GLU 298 N 0.00 -0.10 -1.00 4.77 4.57 -1.93 -2.26 114.58 118.63 3hgk h GLU 298 Ca 0.54 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.73 3hgk h GLU 298 Cb 2.56 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 31.17 3hgk h GLU 298 CO -0.01 -0.07 0.00 -0.25 -1.18 0.00 0.00 179.01 177.51 3hgk n ASP 299 N -3.74 1.84 -4.69 1.04 8.00 -0.49 -4.78 116.55 113.74 3hgk n ASP 299 Ca -0.01 -1.92 -0.35 0.00 0.71 0.00 0.00 54.79 53.22 3hgk n ASP 299 Cb 0.12 -0.48 -0.09 0.00 -0.02 0.00 0.00 41.12 40.65 3hgk n ASP 299 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3hgk s ARG 300 N -0.52 3.78 0.12 -1.24 0.52 -0.85 -4.77 118.95 115.98 3hgk s ARG 300 Ca 0.00 -0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 54.61 3hgk s ARG 300 Cb 0.00 -3.18 -0.07 0.00 0.52 0.00 0.00 34.95 32.23 3hgk s ARG 300 CO 0.00 0.42 1.18 -1.25 0.02 0.00 0.00 175.30 175.67 3hgk s PRO 301 N -0.05 4.49 0.95 3.54 0.04 -1.26 -5.02 135.00 137.69 3hgk s PRO 301 Ca 0.07 1.79 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 3hgk s PRO 301 Cb -0.12 -3.30 0.11 0.00 0.04 0.00 0.00 34.50 31.23 3hgk s PRO 301 CO 0.01 -0.13 0.84 -1.13 0.04 0.00 0.00 177.00 176.62 3hgk n SER 302 N 3.15 -0.72 0.25 6.66 3.41 -1.26 -4.58 113.62 120.52 3hgk n SER 302 Ca 0.06 0.35 0.12 0.00 -0.26 0.00 0.00 58.87 59.15 3hgk n SER 302 Cb 0.46 -1.36 0.67 0.00 -0.26 0.00 0.00 64.21 63.72 3hgk n SER 302 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3hgk h MET 303 N -1.81 0.00 0.48 4.33 2.86 -1.93 -1.05 114.93 117.81 3hgk h MET 303 Ca -0.44 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.18 3hgk h MET 303 Cb 1.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.94 3hgk h MET 303 CO 0.39 0.00 -0.23 0.78 1.06 0.00 0.00 176.91 178.90 3hgk h GLY 304 N 0.00 -0.68 0.33 8.32 0.00 -1.90 0.20 103.07 109.35 3hgk h GLY 304 Ca 0.00 0.25 0.13 0.00 0.00 0.00 0.00 47.33 47.71 3hgk h GLY 304 CO 0.00 -0.25 0.50 -0.55 0.00 0.00 0.00 176.54 176.24 3hgk h ASP 305 N -1.00 0.67 0.26 0.19 3.32 -1.54 0.84 116.42 119.16 3hgk h ASP 305 Ca -0.07 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3hgk h ASP 305 Cb 0.50 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3hgk h ASP 305 CO 0.11 0.32 -0.13 0.58 -1.72 0.00 0.00 179.24 178.40 3hgk h VAL 306 N 0.75 0.76 -0.57 -1.35 2.07 -1.42 -0.74 116.25 115.75 3hgk h VAL 306 Ca 0.47 -0.13 0.15 0.00 0.82 0.00 0.00 66.70 68.01 3hgk h VAL 306 Cb 0.58 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3hgk h VAL 306 CO -0.32 0.03 0.41 0.25 0.02 0.00 0.00 177.57 177.96 3hgk h LEU 307 N -0.41 0.07 0.04 2.57 5.85 0.15 -0.88 115.31 122.69 3hgk h LEU 307 Ca -0.04 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 3hgk h LEU 307 Cb 0.32 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.34 3hgk h LEU 307 CO 0.06 0.04 -0.41 -0.25 -0.34 0.00 0.00 178.44 177.54 3hgk h TRP 308 N 0.07 0.35 -0.58 1.25 7.01 -0.70 -3.13 115.95 120.22 3hgk h TRP 308 Ca 0.27 -0.21 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 3hgk h TRP 308 Cb 0.99 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.99 3hgk h TRP 308 CO -0.00 1.08 0.35 0.87 -2.79 0.00 0.00 178.44 177.94 3hgk h LYS 309 N -0.48 0.79 -0.27 2.65 1.57 0.14 0.31 116.57 121.28 3hgk h LYS 309 Ca -0.06 -0.07 -0.18 0.00 -1.87 0.00 0.00 60.65 58.48 3hgk h LYS 309 Cb 1.22 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 3hgk h LYS 309 CO 0.08 0.56 -0.53 -0.07 -0.57 0.00 0.00 179.45 178.91 3hgk h LEU 310 N 0.80 0.88 -0.58 2.94 3.38 -1.36 -1.08 115.31 120.30 3hgk h LEU 310 Ca 0.21 -0.46 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 3hgk h LEU 310 Cb -0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3hgk h LEU 310 CO -0.04 1.24 -0.10 -0.33 0.09 0.00 0.00 178.44 179.30 3hgk h GLU 311 N 0.61 1.02 0.44 1.13 5.08 -1.23 -1.27 114.58 120.37 3hgk h GLU 311 Ca 0.02 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 3hgk h GLU 311 Cb 1.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 3hgk h GLU 311 CO 0.11 1.06 -0.40 -0.92 -1.00 0.00 0.00 179.01 177.86 3hgk h TYR 312 N 0.91 -1.10 0.01 4.33 5.03 -0.34 -2.44 116.97 123.36 3hgk h TYR 312 Ca 0.14 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.49 3hgk h TYR 312 Cb 0.67 0.42 -0.04 0.00 1.55 0.00 0.00 36.73 39.33 3hgk h TYR 312 CO 0.04 -0.57 -0.23 0.00 -1.32 0.00 0.00 178.16 176.09 3hgk h ALA 313 N -0.50 -0.31 -0.83 1.82 0.00 -0.88 0.43 119.26 118.98 3hgk h ALA 313 Ca -0.04 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.99 3hgk h ALA 313 Cb 0.75 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 3hgk h ALA 313 CO -0.04 -0.73 0.44 1.25 0.00 0.00 0.00 179.25 180.16 3hgk h LEU 314 N -0.37 0.57 -0.91 0.00 5.85 -1.29 0.40 115.31 119.57 3hgk h LEU 314 Ca 0.06 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3hgk h LEU 314 Cb 0.45 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3hgk h LEU 314 CO -0.21 0.28 0.50 -0.09 -0.34 0.00 0.00 178.44 178.58 3hgk h ARG 315 N 0.68 1.26 0.00 1.25 2.43 -0.52 -1.73 114.38 117.75 3hgk h ARG 315 Ca 0.43 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3hgk h ARG 315 Cb 0.53 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3hgk h ARG 315 CO -0.31 0.92 0.00 -0.07 -1.51 0.00 0.00 179.97 179.00 3hgk h LEU 316 N 1.27 0.00 0.11 3.80 3.38 0.20 -1.93 115.31 122.13 3hgk h LEU 316 Ca 0.32 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.09 3hgk h LEU 316 Cb 0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.78 3hgk h LEU 316 CO -0.05 0.00 -0.98 1.56 0.09 0.00 0.00 178.44 179.06 3hgk h GLN 317 N 0.00 0.22 0.00 1.13 1.08 -0.86 -3.42 115.11 113.26 3hgk h GLN 317 Ca 0.00 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 3hgk h GLN 317 Cb 0.00 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3hgk h GLN 317 CO 0.00 1.18 0.00 0.39 -0.95 0.00 0.00 178.83 179.45