#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zml s VAL 17 N 0.00 5.29 -1.82 1.39 1.01 0.18 -4.33 120.40 122.12 1zml s VAL 17 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1zml s VAL 17 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1zml s VAL 17 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1zml n GLY 18 N 1.64 0.51 0.00 4.51 0.00 -1.21 -2.38 105.19 108.25 1zml n GLY 18 Ca -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1zml n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zml n GLY 19 N -0.85 2.98 3.26 -0.02 0.00 -1.26 -4.82 105.19 104.48 1zml n GLY 19 Ca -0.22 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 43.58 1zml n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1zml s THR 20 N 1.12 0.00 0.19 2.61 -4.23 -0.33 -4.90 115.64 110.10 1zml s THR 20 Ca 0.00 -1.92 -0.31 0.00 -1.18 0.00 0.00 61.69 58.28 1zml s THR 20 Cb 0.00 -2.47 -0.09 0.00 1.34 0.00 0.00 72.50 71.28 1zml s THR 20 CO 0.00 0.00 1.40 0.00 -0.54 0.00 0.00 174.62 175.48 1zml s ALA 21 N -4.00 3.61 0.60 3.99 0.00 -1.26 -0.86 121.76 123.83 1zml s ALA 21 Ca 0.37 1.21 -0.09 0.00 0.00 0.00 0.00 51.96 53.45 1zml s ALA 21 Cb 0.05 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 1zml s ALA 21 CO 0.14 -0.65 0.97 -1.12 0.00 0.00 0.00 175.76 175.10 1zml s SER 22 N 0.64 6.00 0.18 0.00 0.01 -0.15 -4.84 113.70 115.53 1zml s SER 22 Ca 0.61 1.16 -0.19 0.00 1.31 0.00 0.00 55.95 58.83 1zml s SER 22 Cb -0.39 -2.21 -0.08 0.00 0.21 0.00 0.00 66.02 63.55 1zml s SER 22 CO 0.37 -0.92 0.68 -0.69 0.41 0.00 0.00 173.24 173.08 1zml s VAL 23 N -3.09 4.62 0.25 3.43 1.01 -1.26 -4.92 120.40 120.45 1zml s VAL 23 Ca 0.54 1.24 -0.31 0.00 0.00 0.00 0.00 61.98 63.45 1zml s VAL 23 Cb -0.11 -3.87 -0.14 0.00 0.00 0.00 0.00 36.38 32.26 1zml s VAL 23 CO 0.50 0.30 1.32 -1.14 0.00 0.00 0.00 175.10 176.08 1zml n ARG 24 N 0.97 1.87 -0.87 2.72 0.63 -1.26 -1.17 116.66 119.55 1zml n ARG 24 Ca -0.04 0.66 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 1zml n ARG 24 Cb 0.51 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 31.16 1zml n ARG 24 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1zml n GLY 25 N 1.86 0.45 0.22 5.14 0.00 -1.26 -4.86 105.19 106.73 1zml n GLY 25 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.22 1zml n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1zml h GLU 26 N 1.22 0.00 -2.07 1.61 4.81 -1.49 -3.29 114.58 115.36 1zml h GLU 26 Ca 0.00 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.68 1zml h GLU 26 Cb 0.18 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.16 1zml h GLU 26 CO 0.00 0.24 -0.98 0.91 -0.73 0.00 0.00 179.01 178.44 1zml n TRP 27 N -3.47 1.10 0.33 0.92 7.02 -1.26 -4.98 117.44 117.11 1zml n TRP 27 Ca -0.00 -3.80 0.14 0.00 -1.02 0.00 0.00 57.50 52.81 1zml n TRP 27 Cb 0.41 -0.43 0.74 0.00 -2.42 0.00 0.00 31.31 29.61 1zml n TRP 27 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1zml h PRO 28 N 3.59 0.00 0.00 -0.99 0.13 -1.81 -1.03 132.00 131.89 1zml h PRO 28 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1zml h PRO 28 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1zml h PRO 28 CO 0.59 0.00 -0.49 -2.67 -0.23 0.00 0.00 178.00 175.20 1zml n TRP 29 N -2.82 0.10 -2.54 1.56 2.14 -1.18 -2.61 117.44 112.10 1zml n TRP 29 Ca -0.02 0.03 -0.42 0.00 2.07 0.00 0.00 57.50 59.16 1zml n TRP 29 Cb 0.42 -0.35 -0.03 0.00 -0.81 0.00 0.00 31.31 30.54 1zml n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1zml s GLN 30 N -3.03 4.46 0.26 -2.67 2.00 -0.39 -0.61 119.66 119.68 1zml s GLN 30 Ca 0.10 1.62 0.09 0.00 -2.00 0.00 0.00 55.36 55.17 1zml s GLN 30 Cb 0.17 -3.42 -0.05 0.00 0.80 0.00 0.00 33.01 30.50 1zml s GLN 30 CO 0.69 -0.21 -0.14 0.14 -0.50 0.00 0.00 175.29 175.27 1zml s VAL 31 N 1.24 1.98 -0.18 1.34 -7.23 -0.71 -4.41 120.40 112.41 1zml s VAL 31 Ca 0.56 -2.25 -0.02 0.00 -1.81 0.00 0.00 61.98 58.46 1zml s VAL 31 Cb -0.25 -2.27 -0.00 0.00 0.56 0.00 0.00 36.38 34.41 1zml s VAL 31 CO 0.27 -0.43 -0.10 0.28 -0.31 0.00 0.00 175.10 174.81 1zml s THR 32 N -2.81 2.97 -0.25 5.32 -1.32 -0.67 -2.75 115.64 116.13 1zml s THR 32 Ca 0.27 -0.65 -0.13 0.00 -1.21 0.00 0.00 61.69 59.98 1zml s THR 32 Cb -0.01 -2.30 -0.04 0.00 -1.51 0.00 0.00 72.50 68.64 1zml s THR 32 CO 0.11 0.48 0.27 -0.22 -2.21 0.00 0.00 174.62 173.05 1zml s LEU 33 N 1.10 4.09 0.27 9.08 2.96 0.53 -1.75 118.68 134.97 1zml s LEU 33 Ca 0.01 0.21 0.08 0.00 -0.22 0.00 0.00 54.13 54.21 1zml s LEU 33 Cb -0.14 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 1zml s LEU 33 CO -0.03 -0.05 0.12 -1.00 -1.32 0.00 0.00 176.35 174.07 1zml s HIS 34 N 1.49 2.88 0.07 5.38 3.76 0.49 0.50 115.29 129.87 1zml s HIS 34 Ca 0.12 -0.20 0.09 0.00 -0.15 0.00 0.00 55.06 54.91 1zml s HIS 34 Cb -0.15 -1.38 -0.03 0.00 1.11 0.00 0.00 32.58 32.13 1zml s HIS 34 CO 0.08 0.51 -0.23 -0.08 -0.85 0.00 0.00 174.74 174.17 1zml s THR 35 N -2.26 1.90 -2.26 1.30 -1.32 -0.61 -1.70 115.64 110.70 1zml s THR 35 Ca 0.33 -1.43 0.24 0.00 -1.21 0.00 0.00 61.69 59.62 1zml s THR 35 Cb -0.06 -1.67 0.09 0.00 -1.51 0.00 0.00 72.50 69.35 1zml s THR 35 CO 0.23 0.16 1.21 0.35 -2.21 0.00 0.00 174.62 174.36 1zml n THR 36 N 1.48 0.00 -4.67 5.08 -2.24 0.24 -1.66 114.28 112.51 1zml n THR 36 Ca -0.18 -0.30 -0.33 0.00 -2.27 0.00 0.00 64.05 60.97 1zml n THR 36 Cb 0.53 1.19 -0.13 0.00 -2.10 0.00 0.00 70.33 69.82 1zml n THR 36 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1zml s SER 37 N -2.34 4.27 0.11 3.42 0.15 -1.26 -2.71 113.70 115.33 1zml s SER 37 Ca 0.22 -0.25 -0.12 0.00 0.70 0.00 0.00 55.95 56.50 1zml s SER 37 Cb 0.19 -1.59 -0.13 0.00 -1.71 0.00 0.00 66.02 62.79 1zml s SER 37 CO 0.49 0.19 1.35 1.55 1.20 0.00 0.00 173.24 178.02 1zml h PRO 37 N 6.53 0.84 -5.74 5.44 0.13 -2.02 -3.47 132.00 133.71 1zml h PRO 37 Ca -0.30 -0.61 -0.48 0.00 -0.87 0.00 0.00 66.00 63.74 1zml h PRO 37 Cb 1.20 0.10 -0.18 0.00 0.13 0.00 0.00 31.00 32.26 1zml h PRO 37 CO 0.57 1.23 -0.77 0.95 -0.23 0.00 0.00 178.00 179.75 1zml s THR 37 N -3.94 1.66 0.31 1.56 -4.23 -1.10 -5.11 115.64 104.79 1zml s THR 37 Ca -0.11 -1.89 -0.30 0.00 -1.18 0.00 0.00 61.69 58.22 1zml s THR 37 Cb 0.09 -1.77 -0.11 0.00 1.34 0.00 0.00 72.50 72.05 1zml s THR 37 CO 0.90 -0.37 1.59 1.67 -0.54 0.00 0.00 174.62 177.86 1zml n GLN 37 N 0.30 2.73 -3.46 3.99 7.27 -1.22 -4.62 117.38 122.38 1zml n GLN 37 Ca -0.13 0.97 -0.12 0.00 0.07 0.00 0.00 57.00 57.78 1zml n GLN 37 Cb 0.57 -2.75 -0.03 0.00 2.41 0.00 0.00 30.24 30.44 1zml n GLN 37 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 1zml s ARG 37 N -0.79 1.14 0.22 3.69 1.70 -0.67 -4.99 118.95 119.24 1zml s ARG 37 Ca 0.62 -0.30 -0.30 0.00 -0.47 0.00 0.00 55.73 55.28 1zml s ARG 37 Cb -0.48 0.53 -0.09 0.00 -0.57 0.00 0.00 34.95 34.33 1zml s ARG 37 CO 0.51 -0.47 1.38 -1.58 -1.08 0.00 0.00 175.30 174.06 1zml s HIS 38 N -3.13 3.14 -0.11 5.89 5.65 -1.26 -1.57 115.29 123.89 1zml s HIS 38 Ca -0.00 1.10 -0.07 0.00 0.25 0.00 0.00 55.06 56.34 1zml s HIS 38 Cb -0.01 -3.72 -0.05 0.00 -1.18 0.00 0.00 32.58 27.63 1zml s HIS 38 CO -0.08 -2.31 -0.17 -0.11 -0.65 0.00 0.00 174.74 171.42 1zml n LEU 39 N 2.58 1.08 -3.97 8.88 7.94 0.18 -4.87 117.00 128.83 1zml n LEU 39 Ca 0.07 0.18 -0.10 0.00 -1.11 0.00 0.00 56.01 55.05 1zml n LEU 39 Cb 0.41 -0.43 -0.03 0.00 0.53 0.00 0.00 43.42 43.90 1zml n LEU 39 CO 0.59 0.09 0.26 0.00 -1.11 0.00 0.00 177.39 177.22 1zml s GLY 41 N -3.06 1.81 0.07 0.00 0.00 0.13 -0.34 107.32 105.93 1zml s GLY 41 Ca 0.21 -1.92 -0.27 0.00 0.00 0.00 0.00 44.72 42.74 1zml s GLY 41 CO 0.11 -1.56 1.15 -0.32 0.00 0.00 0.00 173.10 172.48 1zml s GLY 42 N -4.55 -0.23 -0.03 0.20 0.00 -1.11 -3.63 107.32 97.98 1zml s GLY 42 Ca 0.59 0.25 0.02 0.00 0.00 0.00 0.00 44.72 45.59 1zml s GLY 42 CO 0.37 1.23 -0.09 -0.56 0.00 0.00 0.00 173.10 174.05 1zml s SER 43 N -3.16 1.24 -0.21 1.64 0.01 0.05 -1.74 113.70 111.53 1zml s SER 43 Ca 0.17 -0.19 -0.29 0.00 1.31 0.00 0.00 55.95 56.95 1zml s SER 43 Cb 0.01 -0.37 -0.01 0.00 0.21 0.00 0.00 66.02 65.86 1zml s SER 43 CO 0.00 0.05 1.25 -0.63 0.41 0.00 0.00 173.24 174.33 1zml s ILE 44 N 0.28 4.28 -0.02 1.44 1.01 0.22 -0.36 121.20 128.05 1zml s ILE 44 Ca -0.05 1.52 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1zml s ILE 44 Cb -0.10 -4.07 -0.00 0.00 0.01 0.00 0.00 42.46 38.30 1zml s ILE 44 CO 0.01 -0.24 0.02 2.30 0.00 0.00 0.00 174.94 177.03 1zml n ILE 45 N 5.61 0.00 -3.72 2.92 -5.35 -0.74 -1.09 119.36 116.99 1zml n ILE 45 Ca 0.14 -0.49 -0.10 0.00 -0.27 0.00 0.00 62.75 62.03 1zml n ILE 45 Cb 0.45 1.00 -0.03 0.00 -1.74 0.00 0.00 39.64 39.32 1zml n ILE 45 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1zml s GLY 46 N -1.04 -0.15 0.54 3.28 0.00 -1.17 -4.79 107.32 103.99 1zml s GLY 46 Ca 0.00 -0.15 0.27 0.00 0.00 0.00 0.00 44.72 44.84 1zml s GLY 46 CO 0.02 -0.19 1.98 3.43 0.00 0.00 0.00 173.10 178.33 1zml h ASN 47 N 2.15 0.00 0.00 1.64 -0.26 -1.97 -2.37 115.58 114.76 1zml h ASN 47 Ca -0.28 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.41 1zml h ASN 47 Cb 1.27 0.00 -0.10 0.00 -1.06 0.00 0.00 38.32 38.43 1zml h ASN 47 CO 0.35 0.00 -0.52 0.00 -1.06 0.00 0.00 177.43 176.20 1zml n GLN 48 N -4.28 0.65 -4.46 0.81 10.64 -1.26 -0.05 117.38 119.43 1zml n GLN 48 Ca 0.11 -2.14 -0.23 0.00 -1.83 0.00 0.00 57.00 52.90 1zml n GLN 48 Cb 0.65 -0.85 -0.17 0.00 -0.86 0.00 0.00 30.24 29.02 1zml n GLN 48 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 1zml s TRP 51 N -1.39 1.27 -0.14 2.61 0.52 -0.89 -1.17 118.94 119.75 1zml s TRP 51 Ca 0.25 -0.45 0.00 0.00 0.02 0.00 0.00 56.10 55.92 1zml s TRP 51 Cb 0.25 -0.96 -0.01 0.00 -1.15 0.00 0.00 33.47 31.59 1zml s TRP 51 CO -0.05 -0.26 -0.14 0.42 0.02 0.00 0.00 176.95 176.94 1zml s ILE 52 N 0.74 2.92 -0.23 2.03 -1.09 -0.69 -1.79 121.20 123.09 1zml s ILE 52 Ca -0.13 -0.70 -0.10 0.00 -2.23 0.00 0.00 60.65 57.48 1zml s ILE 52 Cb -0.15 -2.23 -0.05 0.00 -1.58 0.00 0.00 42.46 38.45 1zml s ILE 52 CO 0.03 0.52 0.15 -0.22 -1.23 0.00 0.00 174.94 174.19 1zml s LEU 53 N 0.50 4.13 0.00 2.97 2.96 0.52 -0.88 118.68 128.87 1zml s LEU 53 Ca -0.10 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 1zml s LEU 53 Cb -0.16 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1zml s LEU 53 CO 0.04 0.09 0.00 1.07 -1.32 0.00 0.00 176.35 176.23 1zml n THR 54 N 4.12 0.00 -3.79 3.68 5.66 -0.62 -0.77 114.28 122.56 1zml n THR 54 Ca -0.15 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.48 1zml n THR 54 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 1zml n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1zml s ALA 55 N -1.72 3.83 0.21 1.79 0.00 -1.26 -1.22 121.76 123.40 1zml s ALA 55 Ca 0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 51.96 51.34 1zml s ALA 55 Cb 0.00 -2.07 0.14 0.00 0.00 0.00 0.00 23.12 21.19 1zml s ALA 55 CO 0.00 0.58 1.76 0.00 0.00 0.00 0.00 175.76 178.09 1zml h ALA 56 N 4.96 1.01 0.00 0.00 0.00 -1.71 -2.47 119.26 121.06 1zml h ALA 56 Ca -0.54 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1zml h ALA 56 Cb 1.23 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1zml h ALA 56 CO 0.59 0.67 0.00 -2.39 0.00 0.00 0.00 179.25 178.12 1zml n HIS 57 N -4.26 0.00 1.53 0.00 1.44 -1.26 -1.94 115.22 110.72 1zml n HIS 57 Ca 0.07 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.92 1zml n HIS 57 Cb 0.21 -0.01 0.71 0.00 0.12 0.00 0.00 29.99 31.02 1zml n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1zml n PHE 59 N -1.00 1.10 -2.45 0.00 3.01 -0.82 -4.94 117.46 112.36 1zml n PHE 59 Ca 0.16 -1.70 -0.43 0.00 1.01 0.00 0.00 57.45 56.49 1zml n PHE 59 Cb 0.24 -0.47 -0.02 0.00 -0.01 0.00 0.00 39.48 39.22 1zml n PHE 59 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1zml s TYR 59 N -3.31 2.83 0.00 1.38 5.04 -1.24 -2.50 117.35 119.56 1zml s TYR 59 Ca 0.45 0.99 0.00 0.00 -2.44 0.00 0.00 57.07 56.07 1zml s TYR 59 Cb 0.40 -3.68 0.00 0.00 0.35 0.00 0.00 41.96 39.04 1zml s TYR 59 CO -0.01 -1.56 0.00 0.41 -1.34 0.00 0.00 175.55 173.05 1zml n GLY 59 N 3.92 0.80 3.58 8.97 0.00 -1.26 -5.03 105.19 116.16 1zml n GLY 59 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1zml n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zml s VAL 59 N -2.43 4.77 -1.90 1.61 1.01 -1.04 -4.90 120.40 117.52 1zml s VAL 59 Ca 0.00 0.79 0.16 0.00 0.00 0.00 0.00 61.98 62.93 1zml s VAL 59 Cb 0.00 -4.18 0.17 0.00 0.00 0.00 0.00 36.38 32.37 1zml s VAL 59 CO 0.00 -0.41 1.06 -0.62 0.00 0.00 0.00 175.10 175.12 1zml n GLU 60 N 6.34 1.45 -3.66 2.72 1.02 -1.26 -4.98 120.64 122.26 1zml n GLU 60 Ca 0.02 -1.57 -0.14 0.00 -0.02 0.00 0.00 57.16 55.44 1zml n GLU 60 Cb 0.48 -1.32 -0.08 0.00 -0.02 0.00 0.00 31.44 30.51 1zml n GLU 60 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1zml s SER 61 N -1.28 -0.59 0.36 1.62 0.15 -1.26 -5.01 113.70 107.68 1zml s SER 61 Ca 0.21 1.04 0.27 0.00 0.70 0.00 0.00 55.95 58.17 1zml s SER 61 Cb 0.14 1.04 1.01 0.00 -1.71 0.00 0.00 66.02 66.50 1zml s SER 61 CO 0.20 -0.28 1.80 -0.65 1.20 0.00 0.00 173.24 175.51 1zml h PRO 62 N 4.77 0.00 -0.15 5.44 0.11 -1.92 -3.27 132.00 136.98 1zml h PRO 62 Ca -0.28 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.87 1zml h PRO 62 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1zml h PRO 62 CO 0.19 0.00 0.17 0.87 -0.21 0.00 0.00 178.00 179.02 1zml h LYS 63 N 0.00 0.00 -0.31 1.05 1.57 -1.96 -0.86 116.57 116.07 1zml h LYS 63 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1zml h LYS 63 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1zml h LYS 63 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.32 1zml n ILE 64 N -3.78 0.40 -3.81 1.86 -5.35 -1.23 -4.93 119.36 102.52 1zml n ILE 64 Ca 0.01 -0.56 -0.33 0.00 -0.27 0.00 0.00 62.75 61.59 1zml n ILE 64 Cb 0.29 0.61 -0.05 0.00 -1.74 0.00 0.00 39.64 38.75 1zml n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1zml s LEU 65 N -1.44 4.36 -0.07 7.28 1.43 -0.33 -0.59 118.68 129.32 1zml s LEU 65 Ca 0.35 0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 53.88 1zml s LEU 65 Cb 0.20 -2.76 0.04 0.00 0.03 0.00 0.00 46.19 43.70 1zml s LEU 65 CO 0.28 0.22 0.15 -0.13 0.23 0.00 0.00 176.35 177.10 1zml s ARG 66 N -2.00 0.05 -0.21 1.70 0.52 -0.69 -4.17 118.95 114.16 1zml s ARG 66 Ca 0.30 0.46 -0.07 0.00 -0.52 0.00 0.00 55.73 55.89 1zml s ARG 66 Cb -0.13 -0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.07 1zml s ARG 66 CO 0.19 -0.24 0.07 0.08 0.02 0.00 0.00 175.30 175.42 1zml s VAL 67 N 1.75 4.59 -0.14 3.52 1.01 -0.30 -0.38 120.40 130.45 1zml s VAL 67 Ca -0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 1zml s VAL 67 Cb -0.12 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 1zml s VAL 67 CO -0.06 0.41 -0.13 -0.31 0.00 0.00 0.00 175.10 175.01 1zml s TYR 68 N 0.89 2.82 0.31 5.22 1.51 -0.72 -0.60 117.35 126.78 1zml s TYR 68 Ca 0.04 -0.70 0.09 0.00 -1.01 0.00 0.00 57.07 55.49 1zml s TYR 68 Cb -0.14 -1.86 -0.05 0.00 -0.11 0.00 0.00 41.96 39.80 1zml s TYR 68 CO 0.03 -0.25 -0.01 -1.54 -1.11 0.00 0.00 175.55 172.67 1zml s SER 69 N 0.45 4.26 -1.57 2.29 1.04 -1.26 -1.66 113.70 117.24 1zml s SER 69 Ca -0.10 -0.88 -0.00 0.00 0.48 0.00 0.00 55.95 55.45 1zml s SER 69 Cb -0.16 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.35 1zml s SER 69 CO 0.05 -0.14 0.05 0.61 0.98 0.00 0.00 173.24 174.78 1zml n GLY 70 N -0.92 -0.40 3.72 7.32 0.00 -1.23 -4.99 105.19 108.69 1zml n GLY 70 Ca -0.05 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1zml n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zml s ILE 71 N -2.94 4.71 -0.07 -0.61 -1.09 -1.26 -4.99 121.20 114.94 1zml s ILE 71 Ca 0.02 -0.09 -0.06 0.00 -2.23 0.00 0.00 60.65 58.29 1zml s ILE 71 Cb -0.01 -3.03 -0.04 0.00 -1.58 0.00 0.00 42.46 37.80 1zml s ILE 71 CO 0.03 0.58 -0.14 -0.11 -1.23 0.00 0.00 174.94 174.06 1zml n LEU 72 N 2.43 1.05 -4.54 2.97 7.94 -1.26 -4.93 117.00 120.64 1zml n LEU 72 Ca -0.19 0.17 -0.34 0.00 -1.11 0.00 0.00 56.01 54.54 1zml n LEU 72 Cb 0.54 -0.40 -0.11 0.00 0.53 0.00 0.00 43.42 43.98 1zml n LEU 72 CO 0.31 -0.08 -0.35 0.20 -1.11 0.00 0.00 177.39 176.36 1zml s ASN 73 N -5.99 4.84 0.59 1.96 0.02 -1.26 -1.29 114.94 113.82 1zml s ASN 73 Ca -0.14 -0.06 0.30 0.00 -1.02 0.00 0.00 52.86 51.93 1zml s ASN 73 Cb 0.04 -1.62 1.74 0.00 0.02 0.00 0.00 41.25 41.43 1zml s ASN 73 CO 0.19 0.24 2.15 1.56 0.02 0.00 0.00 177.10 181.26 1zml h GLN 74 N 6.17 0.00 0.00 -0.60 1.08 -1.02 0.24 115.11 120.98 1zml h GLN 74 Ca -0.38 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 1zml h GLN 74 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 1zml h GLN 74 CO 0.60 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.48 1zml h ALA 75 N 1.83 1.00 0.00 3.87 0.00 -1.94 -0.66 119.26 123.36 1zml h ALA 75 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1zml h ALA 75 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1zml h ALA 75 CO -0.00 0.00 0.00 0.93 0.00 0.00 0.00 179.25 180.18 1zml h GLU 76 N 0.00 0.00 -5.59 0.00 5.08 -1.34 -3.41 114.58 109.32 1zml h GLU 76 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 1zml h GLU 76 Cb 0.16 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.28 1zml h GLU 76 CO 0.00 0.00 0.23 0.42 -1.00 0.00 0.00 179.01 178.66 1zml s ILE 77 N -3.55 4.82 0.40 3.13 1.01 -0.26 -4.85 121.20 121.90 1zml s ILE 77 Ca 0.02 0.63 0.04 0.00 0.00 0.00 0.00 60.65 61.35 1zml s ILE 77 Cb 0.09 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 1zml s ILE 77 CO 0.51 -0.40 0.15 0.00 0.00 0.00 0.00 174.94 175.20 1zml s ALA 78 N 2.88 2.83 0.55 9.38 0.00 -1.26 -5.00 121.76 131.13 1zml s ALA 78 Ca 0.27 -1.30 0.23 0.00 0.00 0.00 0.00 51.96 51.15 1zml s ALA 78 Cb -0.14 0.85 1.52 0.00 0.00 0.00 0.00 23.12 25.36 1zml s ALA 78 CO 0.16 -0.38 2.18 0.93 0.00 0.00 0.00 175.76 178.65 1zml h GLU 79 N 1.81 0.00 -0.59 0.00 5.08 -2.00 -1.58 114.58 117.30 1zml h GLU 79 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1zml h GLU 79 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1zml h GLU 79 CO 0.53 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.14 1zml n ASP 80 N -4.21 3.26 -4.76 1.42 5.75 -1.26 -4.93 116.55 111.82 1zml n ASP 80 Ca -0.02 -2.06 -0.39 0.00 -0.01 0.00 0.00 54.79 52.30 1zml n ASP 80 Cb 0.13 -0.41 -0.05 0.00 -1.03 0.00 0.00 41.12 39.75 1zml n ASP 80 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1zml s THR 81 N -1.32 4.75 0.53 2.12 2.01 -0.60 -5.04 115.64 118.09 1zml s THR 81 Ca 0.39 1.46 -0.20 0.00 0.31 0.00 0.00 61.69 63.66 1zml s THR 81 Cb 0.21 -4.03 -0.06 0.00 0.01 0.00 0.00 72.50 68.63 1zml s THR 81 CO 0.25 0.42 1.11 -0.94 -0.69 0.00 0.00 174.62 174.77 1zml s SER 81 N -0.33 5.84 0.24 3.53 1.04 -1.26 -4.87 113.70 117.89 1zml s SER 81 Ca 0.35 2.12 -0.14 0.00 0.48 0.00 0.00 55.95 58.76 1zml s SER 81 Cb -0.20 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1zml s SER 81 CO 0.21 -1.13 0.50 0.72 0.98 0.00 0.00 173.24 174.51 1zml s PHE 82 N -1.82 0.27 -0.16 5.02 -0.12 -1.26 -4.87 117.98 115.03 1zml s PHE 82 Ca 0.72 -0.64 -0.07 0.00 -0.05 0.00 0.00 56.93 56.89 1zml s PHE 82 Cb -0.22 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.38 1zml s PHE 82 CO 0.26 -1.00 0.06 -0.06 -0.05 0.00 0.00 175.22 174.43 1zml s PHE 83 N -3.99 3.26 0.56 3.49 0.08 0.23 -4.94 117.98 116.68 1zml s PHE 83 Ca 0.20 0.12 -0.08 0.00 0.12 0.00 0.00 56.93 57.28 1zml s PHE 83 Cb -0.01 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 1zml s PHE 83 CO 0.07 0.24 0.93 0.20 -0.10 0.00 0.00 175.22 176.56 1zml s GLY 84 N 0.08 1.59 -0.24 4.36 0.00 -1.26 -1.15 107.32 110.69 1zml s GLY 84 Ca 0.05 -0.29 -0.07 0.00 0.00 0.00 0.00 44.72 44.41 1zml s GLY 84 CO 0.01 -0.06 0.06 0.14 0.00 0.00 0.00 173.10 173.25 1zml s VAL 85 N -3.00 4.30 0.05 1.40 1.01 -1.26 -0.98 120.40 121.92 1zml s VAL 85 Ca 0.52 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.39 1zml s VAL 85 Cb -0.11 -3.00 -0.23 0.00 0.00 0.00 0.00 36.38 33.04 1zml s VAL 85 CO 0.50 0.35 1.00 -0.61 0.00 0.00 0.00 175.10 176.35 1zml h GLN 86 N 8.08 0.05 -2.06 2.72 4.15 -0.49 -3.41 115.11 124.15 1zml h GLN 86 Ca -0.38 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 58.90 1zml h GLN 86 Cb 1.17 0.03 -0.20 0.00 0.21 0.00 0.00 27.48 28.70 1zml h GLN 86 CO 0.59 0.86 0.15 -2.00 -1.93 0.00 0.00 178.83 176.50 1zml s GLU 87 N -2.66 0.98 -0.20 1.69 2.12 -1.03 -4.94 118.70 114.65 1zml s GLU 87 Ca -0.03 0.43 -0.03 0.00 0.36 0.00 0.00 54.97 55.70 1zml s GLU 87 Cb 0.09 0.46 -0.01 0.00 0.26 0.00 0.00 34.13 34.93 1zml s GLU 87 CO 0.83 -0.26 -0.06 0.42 -0.54 0.00 0.00 175.26 175.64 1zml s ILE 88 N -0.78 3.27 -0.32 -3.70 1.01 -1.26 -1.13 121.20 118.30 1zml s ILE 88 Ca -0.08 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 1zml s ILE 88 Cb -0.02 -2.47 0.06 0.00 0.01 0.00 0.00 42.46 40.04 1zml s ILE 88 CO 0.07 0.45 0.03 -0.63 0.00 0.00 0.00 174.94 174.86 1zml s ILE 89 N 1.28 3.06 -0.13 2.92 1.01 0.89 -4.97 121.20 125.27 1zml s ILE 89 Ca 0.03 -1.46 -0.07 0.00 0.00 0.00 0.00 60.65 59.15 1zml s ILE 89 Cb -0.14 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 1zml s ILE 89 CO -0.03 -0.19 0.11 -0.63 0.00 0.00 0.00 174.94 174.21 1zml s ILE 90 N 1.24 5.29 0.08 2.92 -1.09 -1.26 -0.00 121.20 128.38 1zml s ILE 90 Ca -0.03 0.13 -0.33 0.00 -2.23 0.00 0.00 60.65 58.18 1zml s ILE 90 Cb -0.20 -3.31 -0.13 0.00 -1.58 0.00 0.00 42.46 37.25 1zml s ILE 90 CO -0.01 0.59 1.73 1.57 -1.23 0.00 0.00 174.94 177.58 1zml n HIS 91 N 2.25 2.38 0.13 3.97 -0.00 -1.14 -4.81 115.22 118.00 1zml n HIS 91 Ca -0.19 0.09 0.09 0.00 0.46 0.00 0.00 57.72 58.17 1zml n HIS 91 Cb 0.54 -2.62 0.46 0.00 -0.12 0.00 0.00 29.99 28.25 1zml n HIS 91 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1zml n ASP 92 N 4.84 0.44 -0.45 0.26 5.68 -1.26 -0.79 116.55 125.26 1zml n ASP 92 Ca 0.19 0.70 0.12 0.00 -0.50 0.00 0.00 54.79 55.30 1zml n ASP 92 Cb 0.31 -0.76 0.11 0.00 -1.14 0.00 0.00 41.12 39.64 1zml n ASP 92 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1zml n GLN 93 N -2.09 1.18 -2.22 0.11 6.02 -1.26 -4.96 117.38 114.16 1zml n GLN 93 Ca -0.01 -0.91 -0.40 0.00 -0.01 0.00 0.00 57.00 55.67 1zml n GLN 93 Cb 0.03 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.79 1zml n GLN 93 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1zml s TYR 94 N -2.45 3.14 0.00 1.08 5.04 0.03 -4.90 117.35 119.29 1zml s TYR 94 Ca 0.21 1.50 0.00 0.00 -2.44 0.00 0.00 57.07 56.34 1zml s TYR 94 Cb 0.19 -3.55 0.00 0.00 0.35 0.00 0.00 41.96 38.95 1zml s TYR 94 CO 0.54 -1.51 0.00 1.63 -1.34 0.00 0.00 175.55 174.88 1zml n LYS 95 N 0.69 0.00 -3.55 4.97 5.02 -1.26 -5.01 118.16 119.02 1zml n LYS 95 Ca 0.01 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 1zml n LYS 95 Cb 0.43 -0.27 -0.06 0.00 -0.02 0.00 0.00 35.03 35.12 1zml n LYS 95 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1zml s MET 96 N -1.93 0.90 0.16 1.97 0.23 -1.26 -5.06 119.30 114.30 1zml s MET 96 Ca 0.00 0.32 -0.25 0.00 -1.03 0.00 0.00 55.69 54.73 1zml s MET 96 Cb 0.00 0.43 -0.00 0.00 -1.53 0.00 0.00 34.83 33.72 1zml s MET 96 CO 0.00 -0.26 1.40 0.00 -2.03 0.00 0.00 175.02 174.13 1zml n ALA 97 N 1.10 -0.48 0.18 3.16 0.00 -1.26 -0.49 120.51 122.73 1zml n ALA 97 Ca -0.16 0.80 0.11 0.00 0.00 0.00 0.00 53.44 54.19 1zml n ALA 97 Cb 0.57 -0.19 0.60 0.00 0.00 0.00 0.00 19.45 20.43 1zml n ALA 97 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1zml h GLU 98 N 0.00 0.00 -0.02 0.00 5.08 -1.98 -1.46 114.58 116.21 1zml h GLU 98 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1zml h GLU 98 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1zml h GLU 98 CO -0.86 0.00 -0.40 0.43 -1.00 0.00 0.00 179.01 177.18 1zml n SER 99 N -2.30 2.02 0.00 1.42 7.64 0.36 -4.80 113.62 117.96 1zml n SER 99 Ca -0.01 -1.50 0.00 0.00 1.01 0.00 0.00 58.87 58.36 1zml n SER 99 Cb 0.09 0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1zml n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zml n GLY 100 N 1.40 -3.73 2.38 0.23 0.00 -0.55 -4.97 105.19 99.95 1zml n GLY 100 Ca 0.10 -2.10 -0.17 0.00 0.00 0.00 0.00 46.02 43.85 1zml n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1zml n TYR 101 N -0.00 -0.86 -2.23 1.61 4.02 -1.26 -4.48 117.16 113.95 1zml n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1zml n TYR 101 Cb 0.00 -3.29 0.00 0.00 -0.02 0.00 0.00 39.34 36.03 1zml n TYR 101 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1zml n ASP 102 N -1.59 4.52 -3.81 7.72 2.03 -1.26 -4.41 116.55 119.75 1zml n ASP 102 Ca -0.19 -2.90 -0.12 0.00 0.52 0.00 0.00 54.79 52.09 1zml n ASP 102 Cb 0.62 -1.68 -0.11 0.00 -0.72 0.00 0.00 41.12 39.23 1zml n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1zml s ILE 103 N 3.37 0.03 0.06 5.18 2.07 -1.26 -4.03 121.20 126.62 1zml s ILE 103 Ca 0.49 -0.28 -0.12 0.00 -1.41 0.00 0.00 60.65 59.33 1zml s ILE 103 Cb 0.08 -0.40 0.01 0.00 0.13 0.00 0.00 42.46 42.29 1zml s ILE 103 CO -0.00 -0.16 0.26 0.00 -1.91 0.00 0.00 174.94 173.14 1zml s ALA 104 N -0.56 -0.54 -0.04 1.50 0.00 -0.35 -2.88 121.76 118.89 1zml s ALA 104 Ca -0.07 -0.20 0.07 0.00 0.00 0.00 0.00 51.96 51.76 1zml s ALA 104 Cb -0.04 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 1zml s ALA 104 CO 0.01 -0.44 -0.24 -0.51 0.00 0.00 0.00 175.76 174.58 1zml s LEU 105 N -2.30 2.04 -0.23 0.00 1.43 1.00 -1.59 118.68 119.03 1zml s LEU 105 Ca -0.02 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1zml s LEU 105 Cb 0.01 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.95 1zml s LEU 105 CO -0.06 0.26 -0.06 -0.76 0.23 0.00 0.00 176.35 175.96 1zml s LEU 106 N -0.32 2.91 -0.33 1.79 1.43 -0.06 -0.08 118.68 124.02 1zml s LEU 106 Ca 0.02 -0.54 -0.20 0.00 -1.03 0.00 0.00 54.13 52.38 1zml s LEU 106 Cb -0.12 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 1zml s LEU 106 CO 0.02 -0.05 0.60 -0.75 0.23 0.00 0.00 176.35 176.39 1zml s LYS 107 N 1.42 3.77 0.56 1.70 2.20 -0.28 -1.71 119.74 127.41 1zml s LYS 107 Ca 0.04 0.11 -0.17 0.00 -0.36 0.00 0.00 55.97 55.59 1zml s LYS 107 Cb -0.15 -3.77 -0.05 0.00 -1.51 0.00 0.00 37.83 32.35 1zml s LYS 107 CO -0.04 -0.63 1.06 -0.51 -0.36 0.00 0.00 175.35 174.86 1zml s LEU 108 N 2.57 3.61 0.34 5.43 1.43 -0.32 0.19 118.68 131.92 1zml s LEU 108 Ca 0.23 1.87 0.16 0.00 -1.03 0.00 0.00 54.13 55.36 1zml s LEU 108 Cb -0.15 -4.54 0.52 0.00 0.03 0.00 0.00 46.19 42.05 1zml s LEU 108 CO 0.13 -1.06 1.66 -0.33 0.23 0.00 0.00 176.35 176.98 1zml h GLU 109 N 0.79 0.00 -4.92 1.70 5.08 -1.37 -3.41 114.58 112.45 1zml h GLU 109 Ca -0.48 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.57 1zml h GLU 109 Cb 1.22 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.33 1zml h GLU 109 CO 0.58 0.46 -0.68 0.95 -1.00 0.00 0.00 179.01 179.32 1zml s THR 110 N -3.51 0.91 0.33 1.13 -4.23 -1.26 -5.02 115.64 104.00 1zml s THR 110 Ca 0.00 -2.01 -0.22 0.00 -1.18 0.00 0.00 61.69 58.28 1zml s THR 110 Cb 0.11 -2.02 -0.10 0.00 1.34 0.00 0.00 72.50 71.83 1zml s THR 110 CO 0.71 -0.58 0.88 -0.89 -0.54 0.00 0.00 174.62 174.20 1zml s THR 111 N -3.50 4.38 -0.16 3.99 2.01 -1.26 -4.76 115.64 116.34 1zml s THR 111 Ca 0.21 1.53 -0.22 0.00 0.31 0.00 0.00 61.69 63.52 1zml s THR 111 Cb 0.05 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 1zml s THR 111 CO 0.03 -0.01 0.67 -0.69 -0.69 0.00 0.00 174.62 173.93 1zml s VAL 112 N -1.80 5.01 -0.50 3.82 1.01 0.93 -5.02 120.40 123.85 1zml s VAL 112 Ca 0.53 1.31 -0.24 0.00 0.00 0.00 0.00 61.98 63.57 1zml s VAL 112 Cb -0.15 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.28 1zml s VAL 112 CO 0.19 0.13 0.89 0.20 0.00 0.00 0.00 175.10 176.51 1zml s ASN 113 N 1.09 6.39 0.61 3.32 0.01 -1.26 -4.85 114.94 120.25 1zml s ASN 113 Ca 0.32 -0.19 -0.19 0.00 -0.71 0.00 0.00 52.86 52.08 1zml s ASN 113 Cb -0.16 -2.42 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 1zml s ASN 113 CO 0.12 -1.09 1.31 -1.22 -1.51 0.00 0.00 177.10 174.70 1zml n TYR 114 N 7.16 2.02 -3.84 2.20 4.01 -1.26 -4.88 117.16 122.58 1zml n TYR 114 Ca 0.03 0.42 -0.04 0.00 -0.16 0.00 0.00 57.90 58.15 1zml n TYR 114 Cb 0.48 -2.30 0.01 0.00 -0.31 0.00 0.00 39.34 37.22 1zml n TYR 114 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1zml s ALA 115 N -1.35 -1.49 0.57 -0.72 0.00 -0.20 -4.96 121.76 113.60 1zml s ALA 115 Ca 0.79 -0.27 0.26 0.00 0.00 0.00 0.00 51.96 52.73 1zml s ALA 115 Cb -0.39 0.72 1.55 0.00 0.00 0.00 0.00 23.12 24.99 1zml s ALA 115 CO 0.44 -1.05 2.10 -0.44 0.00 0.00 0.00 175.76 176.80 1zml h ASP 116 N 2.00 0.00 1.04 0.00 3.32 -1.99 -1.38 116.42 119.42 1zml h ASP 116 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1zml h ASP 116 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1zml h ASP 116 CO 0.34 0.00 -0.81 0.77 -1.72 0.00 0.00 179.24 177.81 1zml h SER 117 N 0.00 0.00 -1.93 6.45 4.64 -1.93 -3.45 113.55 117.33 1zml h SER 117 Ca 0.10 -0.06 -0.19 0.00 -0.47 0.00 0.00 61.79 61.17 1zml h SER 117 Cb 0.48 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.27 1zml h SER 117 CO -0.00 0.03 -0.52 0.00 -0.87 0.00 0.00 176.83 175.47 1zml s GLN 118 N -3.30 0.35 0.10 4.77 -2.07 -0.52 -3.57 119.66 115.41 1zml s GLN 118 Ca 0.02 0.36 -0.08 0.00 -1.82 0.00 0.00 55.36 53.84 1zml s GLN 118 Cb 0.10 -0.53 -0.01 0.00 -1.09 0.00 0.00 33.01 31.49 1zml s GLN 118 CO 0.76 -0.76 0.18 -0.98 -1.32 0.00 0.00 175.29 173.18 1zml s ARG 119 N 2.51 0.87 0.54 9.60 1.70 -1.07 -1.03 118.95 132.07 1zml s ARG 119 Ca 0.11 -1.02 -0.17 0.00 -0.47 0.00 0.00 55.73 54.19 1zml s ARG 119 Cb -0.15 0.34 -0.06 0.00 -0.57 0.00 0.00 34.95 34.51 1zml s ARG 119 CO -0.20 -0.28 1.02 -1.25 -1.08 0.00 0.00 175.30 173.51 1zml s PRO 121 N -3.88 3.67 -0.12 3.89 0.04 -1.26 -3.11 135.00 134.23 1zml s PRO 121 Ca 0.07 1.11 -0.04 0.00 0.04 0.00 0.00 61.00 62.18 1zml s PRO 121 Cb 0.05 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1zml s PRO 121 CO -0.09 -0.51 0.01 -1.50 0.04 0.00 0.00 177.00 174.95 1zml s ILE 122 N -2.47 4.40 0.40 0.56 2.07 -0.25 -4.90 121.20 121.01 1zml s ILE 122 Ca 0.62 -0.20 -0.25 0.00 -1.41 0.00 0.00 60.65 59.41 1zml s ILE 122 Cb -0.13 -2.90 -0.08 0.00 0.13 0.00 0.00 42.46 39.47 1zml s ILE 122 CO 0.32 0.55 1.16 -0.44 -1.91 0.00 0.00 174.94 174.62 1zml s SER 123 N -0.36 6.52 0.49 4.50 0.01 -1.25 -4.66 113.70 118.94 1zml s SER 123 Ca 0.07 2.33 -0.14 0.00 1.31 0.00 0.00 55.95 59.52 1zml s SER 123 Cb -0.12 -2.61 -0.07 0.00 0.21 0.00 0.00 66.02 63.42 1zml s SER 123 CO 0.02 -0.68 0.93 -0.76 0.41 0.00 0.00 173.24 173.16 1zml s LEU 124 N -2.52 3.65 0.59 2.44 1.43 -1.26 -1.74 118.68 121.26 1zml s LEU 124 Ca 0.57 1.44 -0.16 0.00 -1.03 0.00 0.00 54.13 54.95 1zml s LEU 124 Cb -0.30 -4.37 -0.04 0.00 0.03 0.00 0.00 46.19 41.51 1zml s LEU 124 CO 0.38 -0.56 1.05 -2.16 0.23 0.00 0.00 176.35 175.29 1zml s PRO 125 N -4.11 3.39 0.16 1.29 0.04 -1.26 -4.81 135.00 129.69 1zml s PRO 125 Ca 0.56 1.17 -0.04 0.00 0.04 0.00 0.00 61.00 62.73 1zml s PRO 125 Cb -0.10 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1zml s PRO 125 CO 0.33 -0.75 0.38 -1.54 0.04 0.00 0.00 177.00 175.46 1zml s SER 126 N -2.85 6.46 0.63 6.66 1.04 -1.26 -4.79 113.70 119.59 1zml s SER 126 Ca 0.63 0.55 0.31 0.00 0.48 0.00 0.00 55.95 57.92 1zml s SER 126 Cb -0.15 -2.07 1.69 0.00 0.10 0.00 0.00 66.02 65.59 1zml s SER 126 CO 0.37 0.03 2.02 0.11 0.98 0.00 0.00 173.24 176.74 1zml h LYS 127 N 2.64 0.00 0.00 4.02 1.57 -1.96 0.65 116.57 123.49 1zml h LYS 127 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1zml h LYS 127 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1zml h LYS 127 CO 0.72 0.00 -0.22 0.41 -0.57 0.00 0.00 179.45 179.78 1zml n GLY 128 N -1.33 -1.53 0.74 3.86 0.00 -1.26 -3.49 105.19 102.18 1zml n GLY 128 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1zml n GLY 128 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zml n ASP 129 N -1.96 1.79 0.08 1.61 10.43 0.23 -3.74 116.55 124.98 1zml n ASP 129 Ca 0.05 -2.12 -0.21 0.00 2.57 0.00 0.00 54.79 55.08 1zml n ASP 129 Cb 0.40 -0.52 -0.15 0.00 1.84 0.00 0.00 41.12 42.69 1zml n ASP 129 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 1zml h ARG 130 N 0.41 0.36 -0.14 -1.24 3.08 -1.70 -3.28 114.38 111.88 1zml h ARG 130 Ca 0.01 -0.61 0.00 0.00 0.07 0.00 0.00 59.98 59.45 1zml h ARG 130 Cb 0.76 0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1zml h ARG 130 CO 0.07 1.26 0.00 -1.71 -1.07 0.00 0.00 179.97 178.52 1zml n ASN 131 N -3.55 1.30 -4.76 7.04 5.15 -1.25 -4.86 115.26 114.33 1zml n ASN 131 Ca -0.21 -1.66 -0.39 0.00 -0.60 0.00 0.00 54.58 51.72 1zml n ASN 131 Cb 1.07 -0.09 -0.06 0.00 -0.53 0.00 0.00 39.78 40.18 1zml n ASN 131 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1zml s VAL 132 N -1.83 4.83 -0.40 3.44 1.01 -1.24 -5.04 120.40 121.18 1zml s VAL 132 Ca 0.31 1.34 -0.21 0.00 0.00 0.00 0.00 61.98 63.41 1zml s VAL 132 Cb 0.16 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1zml s VAL 132 CO 0.24 0.42 0.69 0.27 0.00 0.00 0.00 175.10 176.73 1zml s ILE 132 N -0.29 4.79 0.04 2.22 -4.36 -1.26 -5.02 121.20 117.32 1zml s ILE 132 Ca 0.32 0.44 -0.30 0.00 -0.26 0.00 0.00 60.65 60.85 1zml s ILE 132 Cb -0.19 -4.19 -0.05 0.00 1.25 0.00 0.00 42.46 39.28 1zml s ILE 132 CO 0.19 -0.51 1.19 -0.31 0.24 0.00 0.00 174.94 175.74 1zml s TYR 133 N 2.93 3.40 0.07 1.37 2.02 -1.26 -5.01 117.35 120.87 1zml s TYR 133 Ca 0.26 1.30 0.08 0.00 -0.37 0.00 0.00 57.07 58.34 1zml s TYR 133 Cb -0.14 -3.41 -0.04 0.00 -0.40 0.00 0.00 41.96 37.98 1zml s TYR 133 CO 0.18 -1.24 -0.18 0.95 -1.57 0.00 0.00 175.55 173.69 1zml s THR 134 N 1.27 2.78 -0.60 -0.71 -4.23 -1.11 -4.77 115.64 108.27 1zml s THR 134 Ca 0.58 -1.33 -0.01 0.00 -1.18 0.00 0.00 61.69 59.74 1zml s THR 134 Cb -0.28 -2.21 -0.02 0.00 1.34 0.00 0.00 72.50 71.33 1zml s THR 134 CO 0.28 0.24 0.51 -0.67 -0.54 0.00 0.00 174.62 174.43 1zml n ASP 135 N 1.24 -3.05 -4.76 3.99 -0.08 -1.26 -2.56 116.55 110.07 1zml n ASP 135 Ca -0.16 -0.34 -0.37 0.00 -1.51 0.00 0.00 54.79 52.40 1zml n ASP 135 Cb 0.52 -2.95 -0.06 0.00 2.34 0.00 0.00 41.12 40.97 1zml n ASP 135 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1zml s TRP 137 N -0.01 1.42 -0.07 0.00 0.52 0.07 -1.58 118.94 119.29 1zml s TRP 137 Ca 0.22 -0.52 0.04 0.00 0.02 0.00 0.00 56.10 55.86 1zml s TRP 137 Cb -0.15 -0.75 -0.00 0.00 -1.15 0.00 0.00 33.47 31.42 1zml s TRP 137 CO 0.09 0.14 -0.20 0.54 0.02 0.00 0.00 176.95 177.54 1zml s VAL 138 N -1.88 1.71 0.14 4.03 0.11 -0.49 -2.44 120.40 121.58 1zml s VAL 138 Ca 0.07 -0.84 0.04 0.00 -2.93 0.00 0.00 61.98 58.32 1zml s VAL 138 Cb -0.06 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.26 1zml s VAL 138 CO 0.03 0.48 -0.10 0.42 -3.33 0.00 0.00 175.10 172.61 1zml s THR 139 N 0.22 1.12 0.00 5.04 -4.23 -1.26 -1.83 115.64 114.70 1zml s THR 139 Ca -0.11 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 1zml s THR 139 Cb -0.15 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 71.89 1zml s THR 139 CO 0.05 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 174.00 1zml n GLY 140 N -0.12 0.78 1.39 3.99 0.00 -0.82 -4.57 105.19 105.84 1zml n GLY 140 Ca -0.11 -1.19 0.08 0.00 0.00 0.00 0.00 46.02 44.80 1zml n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1zml n TRP 141 N -0.97 1.49 -0.58 1.61 8.01 -1.26 -1.27 117.44 124.48 1zml n TRP 141 Ca 0.00 -0.78 -0.27 0.00 -1.31 0.00 0.00 57.50 55.14 1zml n TRP 141 Cb 0.00 -0.39 0.24 0.00 -2.01 0.00 0.00 31.31 29.15 1zml n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1zml n GLY 142 N 0.15 -3.36 3.66 6.99 0.00 -1.26 0.09 105.19 111.47 1zml n GLY 142 Ca 0.24 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 1zml n GLY 142 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1zml n TYR 143 N -5.06 0.82 0.78 1.61 4.02 0.34 -3.04 117.16 116.63 1zml n TYR 143 Ca 0.13 0.40 0.08 0.00 -0.01 0.00 0.00 57.90 58.50 1zml n TYR 143 Cb 0.52 -2.00 -0.02 0.00 -0.02 0.00 0.00 39.34 37.82 1zml n TYR 143 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1zml n ARG 144 N -4.10 1.57 -3.71 -0.72 1.74 -1.26 0.14 116.66 110.33 1zml n ARG 144 Ca 0.12 -0.70 -0.05 0.00 -0.77 0.00 0.00 57.85 56.44 1zml n ARG 144 Cb 0.52 -1.31 -0.02 0.00 -1.02 0.00 0.00 32.46 30.63 1zml n ARG 144 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1zml s LYS 145 N -2.12 1.24 0.21 5.56 -2.85 -1.26 -4.65 119.74 115.87 1zml s LYS 145 Ca 0.13 -0.65 -0.14 0.00 -1.00 0.00 0.00 55.97 54.32 1zml s LYS 145 Cb 0.14 0.45 0.24 0.00 -2.06 0.00 0.00 37.83 36.60 1zml s LYS 145 CO 0.48 -0.56 1.35 -0.11 0.10 0.00 0.00 175.35 176.61 1zml n LEU 146 N -0.43 -0.52 -3.43 2.77 7.94 -1.26 -2.64 117.00 119.44 1zml n LEU 146 Ca -0.07 1.51 -0.27 0.00 -1.11 0.00 0.00 56.01 56.08 1zml n LEU 146 Cb 0.61 -0.37 -0.08 0.00 0.53 0.00 0.00 43.42 44.11 1zml n LEU 146 CO 0.13 -1.38 0.07 0.54 -1.11 0.00 0.00 177.39 175.65 1zml n ARG 147 N -5.31 2.49 0.00 1.96 5.12 -1.26 -4.97 116.66 114.69 1zml n ARG 147 Ca 0.10 -4.65 0.00 0.00 -1.93 0.00 0.00 57.85 51.37 1zml n ARG 147 Cb 0.36 -2.24 0.00 0.00 -1.16 0.00 0.00 32.46 29.42 1zml n ARG 147 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1zml n ASP 148 N 0.88 0.00 -3.49 0.55 4.64 -1.08 -5.07 116.55 112.98 1zml n ASP 148 Ca 0.30 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.58 1zml n ASP 148 Cb 0.41 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.46 1zml n ASP 148 CO 0.00 0.00 0.00 -1.59 -0.82 0.00 0.00 177.20 174.79 1zml s LYS 149 N 4.79 1.19 0.13 -0.67 -2.85 -1.26 -5.00 119.74 116.07 1zml s LYS 149 Ca 0.00 -0.43 -0.34 0.00 -1.00 0.00 0.00 55.97 54.21 1zml s LYS 149 Cb 0.00 0.55 -0.17 0.00 -2.06 0.00 0.00 37.83 36.14 1zml s LYS 149 CO 0.00 -0.49 0.97 -0.89 0.10 0.00 0.00 175.35 175.04 1zml n ILE 151 N -0.15 0.93 -3.28 3.79 2.08 -1.26 -4.48 119.36 116.98 1zml n ILE 151 Ca -0.17 -0.23 -0.34 0.00 0.56 0.00 0.00 62.75 62.56 1zml n ILE 151 Cb 0.64 -0.39 -0.06 0.00 -0.75 0.00 0.00 39.64 39.07 1zml n ILE 151 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 1zml s GLN 152 N -0.44 4.01 -0.02 0.38 -1.52 0.11 -5.02 119.66 117.16 1zml s GLN 152 Ca 0.76 0.56 -0.25 0.00 -1.95 0.00 0.00 55.36 54.48 1zml s GLN 152 Cb -0.99 -2.79 -0.20 0.00 -0.22 0.00 0.00 33.01 28.82 1zml s GLN 152 CO 0.55 0.38 1.22 -0.97 -0.25 0.00 0.00 175.29 176.22 1zml h ASN 153 N 3.12 0.09 -3.30 5.90 -1.24 -1.91 -3.44 115.58 114.80 1zml h ASN 153 Ca -0.48 -0.55 -0.58 0.00 0.71 0.00 0.00 56.30 55.40 1zml h ASN 153 Cb 1.19 -0.02 -0.09 0.00 0.73 0.00 0.00 38.32 40.12 1zml h ASN 153 CO 0.66 0.62 -0.24 -0.89 -1.29 0.00 0.00 177.43 176.29 1zml s THR 154 N -4.01 5.25 0.01 -3.57 2.01 -1.26 -0.41 115.64 113.65 1zml s THR 154 Ca -0.16 0.73 -0.35 0.00 0.31 0.00 0.00 61.69 62.22 1zml s THR 154 Cb 0.02 -3.72 -0.14 0.00 0.01 0.00 0.00 72.50 68.67 1zml s THR 154 CO 0.70 0.37 1.66 -0.11 -0.69 0.00 0.00 174.62 176.54 1zml n LEU 155 N 3.57 2.87 -4.93 4.42 7.94 -0.41 -4.84 117.00 125.62 1zml n LEU 155 Ca -0.10 1.05 -0.28 0.00 -1.11 0.00 0.00 56.01 55.57 1zml n LEU 155 Cb 0.52 -1.33 -0.03 0.00 0.53 0.00 0.00 43.42 43.10 1zml n LEU 155 CO 0.41 -0.36 -0.09 -1.10 -1.11 0.00 0.00 177.39 175.15 1zml s GLN 156 N 2.24 3.46 0.02 1.96 -1.52 -0.40 -0.98 119.66 124.44 1zml s GLN 156 Ca 0.87 -0.49 0.01 0.00 -1.95 0.00 0.00 55.36 53.79 1zml s GLN 156 Cb -0.78 -2.96 -0.01 0.00 -0.22 0.00 0.00 33.01 29.03 1zml s GLN 156 CO 0.48 0.53 -0.04 -1.59 -0.25 0.00 0.00 175.29 174.42 1zml s LYS 157 N -3.01 0.30 -0.13 2.91 -2.85 -0.04 -1.95 119.74 114.97 1zml s LYS 157 Ca 0.35 -0.44 -0.08 0.00 -1.00 0.00 0.00 55.97 54.80 1zml s LYS 157 Cb -0.12 -0.08 0.05 0.00 -2.06 0.00 0.00 37.83 35.62 1zml s LYS 157 CO 0.28 0.01 0.32 0.00 0.10 0.00 0.00 175.35 176.06 1zml s ALA 158 N -0.91 -0.79 -0.11 0.59 0.00 -0.76 -1.19 121.76 118.59 1zml s ALA 158 Ca -0.08 1.16 -0.25 0.00 0.00 0.00 0.00 51.96 52.79 1zml s ALA 158 Cb -0.07 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1zml s ALA 158 CO -0.00 -0.21 0.81 0.21 0.00 0.00 0.00 175.76 176.57 1zml s LYS 159 N 1.03 4.38 -0.03 0.00 2.20 -1.26 -1.39 119.74 124.67 1zml s LYS 159 Ca -0.07 1.03 -0.01 0.00 -0.36 0.00 0.00 55.97 56.56 1zml s LYS 159 Cb -0.08 -3.52 0.03 0.00 -1.51 0.00 0.00 37.83 32.76 1zml s LYS 159 CO -0.08 -0.16 0.04 0.42 -0.36 0.00 0.00 175.35 175.21 1zml s ILE 160 N 1.55 -0.05 0.53 5.43 1.01 -0.62 -4.99 121.20 124.06 1zml s ILE 160 Ca 0.40 0.27 -0.19 0.00 0.00 0.00 0.00 60.65 61.13 1zml s ILE 160 Cb -0.18 -0.12 -0.06 0.00 0.01 0.00 0.00 42.46 42.12 1zml s ILE 160 CO 0.16 0.12 1.07 -2.16 0.00 0.00 0.00 174.94 174.13 1zml s PRO 161 N 1.38 3.53 0.43 2.79 0.04 -1.26 -4.50 135.00 137.42 1zml s PRO 161 Ca -0.05 1.37 -0.19 0.00 0.04 0.00 0.00 61.00 62.17 1zml s PRO 161 Cb -0.13 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 1zml s PRO 161 CO -0.03 -0.66 0.93 -0.51 0.04 0.00 0.00 177.00 176.78 1zml s LEU 162 N -3.88 3.89 0.04 -3.56 1.02 -1.26 -1.56 118.68 113.37 1zml s LEU 162 Ca 0.67 1.62 0.08 0.00 0.02 0.00 0.00 54.13 56.52 1zml s LEU 162 Cb -0.18 -4.48 -0.03 0.00 0.02 0.00 0.00 46.19 41.52 1zml s LEU 162 CO 0.27 -0.39 -0.22 0.68 0.02 0.00 0.00 176.35 176.71 1zml s VAL 163 N -2.24 1.79 0.74 -1.59 -7.23 -0.63 -4.85 120.40 106.39 1zml s VAL 163 Ca 0.61 -1.25 -0.15 0.00 -1.81 0.00 0.00 61.98 59.38 1zml s VAL 163 Cb -0.09 -1.55 0.05 0.00 0.56 0.00 0.00 36.38 35.34 1zml s VAL 163 CO 0.17 0.25 1.22 0.42 -0.31 0.00 0.00 175.10 176.85 1zml s THR 164 N -0.80 2.16 0.22 5.32 -4.23 -1.26 -4.23 115.64 112.82 1zml s THR 164 Ca 0.09 0.08 -0.08 0.00 -1.18 0.00 0.00 61.69 60.59 1zml s THR 164 Cb -0.09 -2.67 0.17 0.00 1.34 0.00 0.00 72.50 71.26 1zml s THR 164 CO 0.02 -0.04 1.83 -1.13 -0.54 0.00 0.00 174.62 174.76 1zml h ASN 165 N -0.36 1.05 -0.77 3.99 -0.73 -1.95 -0.56 115.58 116.25 1zml h ASN 165 Ca -0.48 -0.11 -0.01 0.00 1.87 0.00 0.00 56.30 57.57 1zml h ASN 165 Cb 1.30 -0.27 -0.04 0.00 0.27 0.00 0.00 38.32 39.59 1zml h ASN 165 CO 0.49 0.86 0.44 -0.08 -0.37 0.00 0.00 177.43 178.77 1zml h GLU 166 N 1.15 1.06 -0.30 6.67 4.81 -1.94 0.30 114.58 126.34 1zml h GLU 166 Ca 0.29 -0.11 -0.14 0.00 -0.13 0.00 0.00 59.36 59.28 1zml h GLU 166 Cb 0.06 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 1zml h GLU 166 CO -0.04 0.76 -0.34 1.49 -0.73 0.00 0.00 179.01 180.15 1zml h GLU 167 N 1.08 0.76 -0.54 1.92 4.57 -1.79 -2.96 114.58 117.62 1zml h GLU 167 Ca 0.28 -0.42 -0.06 0.00 -1.18 0.00 0.00 59.36 57.98 1zml h GLU 167 Cb -0.01 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1zml h GLU 167 CO -0.05 1.04 0.10 0.00 -1.18 0.00 0.00 179.01 178.93 1zml h GLN 169 N 0.77 0.44 0.00 0.00 5.75 -0.38 0.34 115.11 122.02 1zml h GLN 169 Ca 0.16 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.58 1zml h GLN 169 Cb 0.38 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 1zml h GLN 169 CO 0.01 0.29 -0.30 0.87 -2.65 0.00 0.00 178.83 177.05 1zml h LYS 170 N 0.45 0.00 -0.00 1.69 1.57 -1.30 -2.32 116.57 116.67 1zml h LYS 170 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1zml h LYS 170 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1zml h LYS 170 CO -0.08 0.30 -0.27 0.54 -0.57 0.00 0.00 179.45 179.37 1zml n ARG 171 N -3.82 0.12 -3.19 3.15 5.12 0.07 -4.23 116.66 113.88 1zml n ARG 171 Ca -0.01 -0.05 -0.23 0.00 -1.93 0.00 0.00 57.85 55.63 1zml n ARG 171 Cb 0.38 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.13 1zml n ARG 171 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1zml n TYR 172 N -1.40 0.83 -0.09 -1.55 4.02 -0.88 -4.89 117.16 113.21 1zml n TYR 172 Ca 0.07 -3.78 0.08 0.00 -0.01 0.00 0.00 57.90 54.27 1zml n TYR 172 Cb 0.33 -0.42 0.43 0.00 -0.02 0.00 0.00 39.34 39.67 1zml n TYR 172 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1zml h ARG 173 N 3.54 0.54 0.00 -0.72 2.47 -1.72 -0.45 114.38 118.05 1zml h ARG 173 Ca 0.10 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1zml h ARG 173 Cb 0.84 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 1zml h ARG 173 CO 0.56 0.36 0.00 0.41 0.56 0.00 0.00 179.97 181.86 1zml n GLY 173 N -1.48 -1.24 3.70 0.04 0.00 -1.26 -4.83 105.19 100.11 1zml n GLY 173 Ca 0.08 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1zml n GLY 173 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1zml s HIS 174 N -2.81 2.36 -0.31 1.61 3.76 -0.18 -5.11 115.29 114.61 1zml s HIS 174 Ca 0.17 -0.71 0.03 0.00 -0.15 0.00 0.00 55.06 54.40 1zml s HIS 174 Cb 0.16 -1.81 0.08 0.00 1.11 0.00 0.00 32.58 32.13 1zml s HIS 174 CO 0.42 0.27 -0.02 0.21 -0.85 0.00 0.00 174.74 174.77 1zml s LYS 175 N -3.84 1.84 -0.57 1.40 2.20 -1.26 -4.94 119.74 114.57 1zml s LYS 175 Ca 0.31 -1.64 -0.25 0.00 -0.36 0.00 0.00 55.97 54.03 1zml s LYS 175 Cb 0.06 -3.08 0.04 0.00 -1.51 0.00 0.00 37.83 33.33 1zml s LYS 175 CO 0.16 -0.78 1.02 0.42 -0.36 0.00 0.00 175.35 175.82 1zml s ILE 176 N 1.00 4.26 0.75 5.43 -1.09 -1.26 -4.99 121.20 125.30 1zml s ILE 176 Ca 0.02 0.43 -0.06 0.00 -2.23 0.00 0.00 60.65 58.81 1zml s ILE 176 Cb -0.20 -4.61 0.11 0.00 -1.58 0.00 0.00 42.46 36.19 1zml s ILE 176 CO -0.06 -1.21 1.06 0.42 -1.23 0.00 0.00 174.94 173.91 1zml s THR 177 N 4.29 2.20 -1.30 2.92 -4.23 -1.26 -4.93 115.64 113.32 1zml s THR 177 Ca 0.34 -0.35 0.18 0.00 -1.18 0.00 0.00 61.69 60.67 1zml s THR 177 Cb -0.11 -2.84 0.27 0.00 1.34 0.00 0.00 72.50 71.15 1zml s THR 177 CO 0.20 0.00 1.56 0.00 -0.54 0.00 0.00 174.62 175.85 1zml n HIS 178 N -3.03 0.00 0.76 3.99 1.44 -1.26 -1.72 115.22 115.40 1zml n HIS 178 Ca 0.12 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.91 1zml n HIS 178 Cb 0.60 -0.35 0.22 0.00 0.12 0.00 0.00 29.99 30.59 1zml n HIS 178 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1zml n LYS 179 N -1.35 1.95 -4.32 -1.40 5.02 -1.26 -4.83 118.16 111.96 1zml n LYS 179 Ca 0.07 -1.46 -0.21 0.00 -2.02 0.00 0.00 58.31 54.70 1zml n LYS 179 Cb 0.16 -1.35 -0.11 0.00 -0.02 0.00 0.00 35.03 33.72 1zml n LYS 179 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1zml s MET 180 N -1.51 1.26 -0.06 1.97 -1.94 -0.70 -1.12 119.30 117.20 1zml s MET 180 Ca 0.29 -1.42 -0.05 0.00 -1.71 0.00 0.00 55.69 52.81 1zml s MET 180 Cb 0.15 -1.25 0.02 0.00 2.01 0.00 0.00 34.83 35.76 1zml s MET 180 CO 0.21 0.25 0.15 -1.50 -0.01 0.00 0.00 175.02 174.12 1zml s ILE 181 N -2.20 -0.01 0.31 2.53 2.07 0.51 -4.68 121.20 119.73 1zml s ILE 181 Ca 0.16 0.05 0.09 0.00 -1.41 0.00 0.00 60.65 59.54 1zml s ILE 181 Cb -0.05 -0.22 -0.05 0.00 0.13 0.00 0.00 42.46 42.27 1zml s ILE 181 CO 0.06 0.02 0.03 0.00 -1.91 0.00 0.00 174.94 173.15 1zml s ALA 183 N -2.43 -1.70 0.00 0.00 0.00 -0.62 -1.61 121.76 115.41 1zml s ALA 183 Ca 0.34 2.16 0.00 0.00 0.00 0.00 0.00 51.96 54.46 1zml s ALA 183 Cb -0.03 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.82 1zml s ALA 183 CO 0.20 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1zml n GLY 184 N 3.93 -0.30 3.72 0.00 0.00 -0.60 -1.18 105.19 110.76 1zml n GLY 184 Ca -0.19 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.40 1zml n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1zml s TYR 184 N -2.00 3.25 0.39 1.61 2.02 -1.26 -4.55 117.35 116.80 1zml s TYR 184 Ca 0.00 0.25 0.18 0.00 -0.37 0.00 0.00 57.07 57.14 1zml s TYR 184 Cb 0.00 -1.83 1.10 0.00 -0.40 0.00 0.00 41.96 40.84 1zml s TYR 184 CO 0.00 0.51 1.75 -0.09 -1.57 0.00 0.00 175.55 176.15 1zml h ARG 185 N 5.17 0.38 -0.40 -0.62 2.43 -1.99 0.52 114.38 119.86 1zml h ARG 185 Ca -0.51 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1zml h ARG 185 Cb 1.20 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1zml h ARG 185 CO 0.55 0.25 0.00 -0.85 -1.51 0.00 0.00 179.97 178.41 1zml n GLU 186 N -4.67 2.25 0.00 0.20 0.00 -1.26 -0.78 120.64 116.38 1zml n GLU 186 Ca 0.27 -1.91 0.00 0.00 0.00 0.00 0.00 57.16 55.52 1zml n GLU 186 Cb 0.91 -1.46 0.00 0.00 0.00 0.00 0.00 31.44 30.89 1zml n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1zml n GLY 187 N 1.38 0.31 0.00 -1.84 0.00 0.18 -4.31 105.19 100.91 1zml n GLY 187 Ca 0.18 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1zml n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zml n GLY 188 N 0.00 3.08 3.03 -0.02 0.00 -0.22 -4.67 105.19 106.39 1zml n GLY 188 Ca 0.00 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 1zml n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zml s LYS 188 N 0.00 1.88 -0.13 1.61 1.02 -1.26 -3.36 119.74 119.50 1zml s LYS 188 Ca 0.00 -0.46 -0.34 0.00 0.02 0.00 0.00 55.97 55.19 1zml s LYS 188 Cb 0.00 -1.58 0.14 0.00 -0.52 0.00 0.00 37.83 35.88 1zml s LYS 188 CO 0.00 -0.00 1.36 0.34 -0.92 0.00 0.00 175.35 176.12 1zml s ASP 189 N 0.79 -0.04 0.76 2.83 2.15 -1.00 -4.59 116.67 117.57 1zml s ASP 189 Ca -0.12 -0.04 -0.11 0.00 0.43 0.00 0.00 52.55 52.71 1zml s ASP 189 Cb -0.16 0.07 0.05 0.00 -0.30 0.00 0.00 42.92 42.58 1zml s ASP 189 CO 0.02 -0.12 1.09 0.00 -0.17 0.00 0.00 175.17 175.99 1zml s ALA 190 N -2.18 2.47 0.23 3.66 0.00 -1.26 0.47 121.76 125.14 1zml s ALA 190 Ca 0.13 -0.17 -0.13 0.00 0.00 0.00 0.00 51.96 51.80 1zml s ALA 190 Cb 0.04 -3.11 -0.00 0.00 0.00 0.00 0.00 23.12 20.05 1zml s ALA 190 CO -0.05 -1.50 0.45 0.00 0.00 0.00 0.00 175.76 174.67 1zml n LYS 192 N -0.35 0.00 0.00 0.00 4.81 -1.26 -1.48 118.16 119.87 1zml n LYS 192 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1zml n LYS 192 Cb 0.62 -1.38 0.00 0.00 0.02 0.00 0.00 35.03 34.30 1zml n LYS 192 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1zml n GLY 193 N 3.28 2.22 0.00 3.14 0.00 -1.26 0.13 105.19 112.69 1zml n GLY 193 Ca 0.27 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.40 1zml n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zml n ASP 194 N 0.00 0.63 -4.47 1.61 8.00 -0.55 -3.99 116.55 117.78 1zml n ASP 194 Ca 0.00 -0.45 -0.41 0.00 0.71 0.00 0.00 54.79 54.64 1zml n ASP 194 Cb 0.00 0.45 0.02 0.00 -0.02 0.00 0.00 41.12 41.56 1zml n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1zml n SER 195 N -1.50 -0.71 0.00 -2.24 7.64 -1.26 0.33 113.62 115.88 1zml n SER 195 Ca 0.05 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.80 1zml n SER 195 Cb 0.33 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1zml n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zml n GLY 196 N 1.72 3.02 3.74 0.23 0.00 -0.81 0.19 105.19 113.28 1zml n GLY 196 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1zml n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1zml s GLY 197 N -1.10 2.86 0.34 -0.02 0.00 0.15 -2.78 107.32 106.77 1zml s GLY 197 Ca 0.00 1.23 -0.19 0.00 0.00 0.00 0.00 44.72 45.76 1zml s GLY 197 CO 0.00 1.68 0.82 2.56 0.00 0.00 0.00 173.10 178.17 1zml s PRO 198 N -3.21 4.18 -0.98 2.90 0.04 -1.26 -0.43 135.00 136.23 1zml s PRO 198 Ca 0.78 0.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.70 1zml s PRO 198 Cb -0.38 -2.47 0.27 0.00 0.04 0.00 0.00 34.50 31.96 1zml s PRO 198 CO 0.41 0.15 1.11 -0.11 0.04 0.00 0.00 177.00 178.60 1zml n LEU 198 N -0.16 5.24 -4.74 -3.56 7.94 0.38 -3.98 117.00 118.11 1zml n LEU 198 Ca 0.03 -5.19 -0.42 0.00 -1.11 0.00 0.00 56.01 49.33 1zml n LEU 198 Cb 0.53 -1.19 -0.02 0.00 0.53 0.00 0.00 43.42 43.27 1zml n LEU 198 CO 0.41 1.63 1.25 -0.44 -1.11 0.00 0.00 177.39 179.13 1zml s SER 198 N -0.71 6.41 -0.01 1.96 0.01 -1.02 -2.19 113.70 118.15 1zml s SER 198 Ca 0.31 2.89 0.00 0.00 1.31 0.00 0.00 55.95 60.47 1zml s SER 198 Cb -0.00 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.60 1zml s SER 198 CO -0.02 -0.90 -0.01 0.00 0.41 0.00 0.00 173.24 172.72 1zml s LYS 202 N 0.19 4.37 -0.38 0.00 2.20 -1.06 0.13 119.74 125.20 1zml s LYS 202 Ca -0.02 0.70 0.01 0.00 -0.36 0.00 0.00 55.97 56.30 1zml s LYS 202 Cb -0.03 -3.46 0.13 0.00 -1.51 0.00 0.00 37.83 32.96 1zml s LYS 202 CO -0.01 0.05 0.21 -1.58 -0.36 0.00 0.00 175.35 173.66 1zml s HIS 202 N 0.91 1.23 -0.40 4.03 5.65 0.07 -2.75 115.29 124.02 1zml s HIS 202 Ca 0.33 -1.89 -0.02 0.00 0.25 0.00 0.00 55.06 53.73 1zml s HIS 202 Cb -0.17 -1.33 0.00 0.00 -1.18 0.00 0.00 32.58 29.91 1zml s HIS 202 CO 0.14 -0.82 0.31 0.09 -0.65 0.00 0.00 174.74 173.82 1zml n ASN 202 N 3.98 -3.20 0.00 9.88 5.03 -1.26 -3.29 115.26 126.40 1zml n ASN 202 Ca 0.09 -0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.40 1zml n ASN 202 Cb 0.37 -1.81 0.00 0.00 -1.02 0.00 0.00 39.78 37.32 1zml n ASN 202 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1zml n GLU 202 N -1.79 0.00 -4.62 3.52 4.71 -1.26 -5.02 120.64 116.18 1zml n GLU 202 Ca -0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.81 1zml n GLU 202 Cb 0.52 -1.68 -0.15 0.00 -1.01 0.00 0.00 31.44 29.12 1zml n GLU 202 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1zml s VAL 202 N -3.30 2.87 0.05 2.62 1.01 -1.21 -5.09 120.40 117.36 1zml s VAL 202 Ca 0.00 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 60.96 1zml s VAL 202 Cb 0.00 -2.21 -0.06 0.00 0.00 0.00 0.00 36.38 34.11 1zml s VAL 202 CO 0.00 0.51 1.22 0.26 0.00 0.00 0.00 175.10 177.09 1zml s TRP 203 N 0.63 3.38 0.01 5.22 0.52 -1.26 -0.75 118.94 126.68 1zml s TRP 203 Ca -0.08 1.25 0.08 0.00 0.02 0.00 0.00 56.10 57.37 1zml s TRP 203 Cb -0.16 -3.45 -0.02 0.00 -1.15 0.00 0.00 33.47 28.70 1zml s TRP 203 CO 0.03 -1.40 -0.24 -1.01 0.02 0.00 0.00 176.95 174.35 1zml s HIS 204 N 1.23 2.11 -0.96 -1.98 3.76 0.35 -3.93 115.29 115.87 1zml s HIS 204 Ca 0.59 -0.40 -0.21 0.00 -0.15 0.00 0.00 55.06 54.89 1zml s HIS 204 Cb -0.30 -1.32 0.09 0.00 1.11 0.00 0.00 32.58 32.16 1zml s HIS 204 CO 0.28 0.02 1.27 -1.17 -0.85 0.00 0.00 174.74 174.29 1zml s LEU 209 N -0.80 4.30 0.02 0.89 2.96 -0.71 0.36 118.68 125.70 1zml s LEU 209 Ca 0.09 -1.71 -0.18 0.00 -0.22 0.00 0.00 54.13 52.12 1zml s LEU 209 Cb -0.09 -2.48 -0.28 0.00 0.50 0.00 0.00 46.19 43.84 1zml s LEU 209 CO 0.00 -1.29 1.06 0.58 -1.32 0.00 0.00 176.35 175.38 1zml h VAL 210 N 6.27 1.38 -4.03 1.68 2.07 -1.78 -3.37 116.25 118.47 1zml h VAL 210 Ca 0.15 -2.34 -0.13 0.00 0.82 0.00 0.00 66.70 65.20 1zml h VAL 210 Cb 1.02 2.76 -0.12 0.00 -1.52 0.00 0.00 31.29 33.43 1zml h VAL 210 CO 1.26 0.69 -0.33 -0.83 0.02 0.00 0.00 177.57 178.38 1zml s GLY 211 N -4.32 0.87 -0.13 2.17 0.00 -1.19 -2.05 107.32 102.68 1zml s GLY 211 Ca -0.12 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 43.44 1zml s GLY 211 CO 0.88 -0.94 -0.20 -0.42 0.00 0.00 0.00 173.10 172.42 1zml s ILE 212 N -4.07 1.87 -0.17 0.90 1.01 -1.02 0.14 121.20 119.87 1zml s ILE 212 Ca 0.28 -0.87 -0.36 0.00 0.00 0.00 0.00 60.65 59.70 1zml s ILE 212 Cb 0.03 -1.67 -0.13 0.00 0.01 0.00 0.00 42.46 40.70 1zml s ILE 212 CO 0.09 0.51 1.88 0.41 0.00 0.00 0.00 174.94 177.83 1zml n THR 213 N 4.07 0.47 0.02 2.92 -1.04 0.43 -1.34 114.28 119.81 1zml n THR 213 Ca -0.20 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 1zml n THR 213 Cb 0.52 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.35 1zml n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1zml n SER 214 N 6.64 0.45 -3.34 8.00 2.88 -0.88 -1.93 113.62 125.44 1zml n SER 214 Ca 0.25 0.06 -0.01 0.00 -1.33 0.00 0.00 58.87 57.84 1zml n SER 214 Cb 0.24 -0.14 0.02 0.00 -0.75 0.00 0.00 64.21 63.59 1zml n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1zml n TRP 215 N -3.20 -1.09 -1.03 0.66 4.27 -0.79 -4.89 117.44 111.37 1zml n TRP 215 Ca 0.00 -1.09 0.00 0.00 -3.89 0.00 0.00 57.50 52.52 1zml n TRP 215 Cb 0.29 0.53 0.00 0.00 -1.36 0.00 0.00 31.31 30.76 1zml n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1zml n GLY 216 N -0.75 -1.70 3.28 -1.67 0.00 -1.26 -0.04 105.19 103.05 1zml n GLY 216 Ca -0.00 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 1zml n GLY 216 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1zml s GLU 217 N -1.65 2.74 2.71 1.61 2.56 -1.26 -4.99 118.70 120.41 1zml s GLU 217 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 54.97 53.88 1zml s GLU 217 Cb 0.00 -3.39 0.00 0.00 2.00 0.00 0.00 34.13 32.74 1zml s GLU 217 CO 0.00 -0.59 0.00 0.41 -0.56 0.00 0.00 175.26 174.52 1zml n GLY 218 N 4.80 -0.20 2.75 -1.50 0.00 -1.26 -4.66 105.19 105.12 1zml n GLY 218 Ca -0.13 -1.03 -0.21 0.00 0.00 0.00 0.00 46.02 44.65 1zml n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zml n ALA 220 N 4.97 -0.34 -1.62 0.00 0.00 -1.26 -4.86 120.51 117.41 1zml n ALA 220 Ca -0.10 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.33 1zml n ALA 220 Cb 0.50 -2.04 0.02 0.00 0.00 0.00 0.00 19.45 17.93 1zml n ALA 220 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1zml s GLN 221 N -3.84 3.11 0.40 0.00 -0.21 -1.26 -1.06 119.66 116.79 1zml s GLN 221 Ca 0.00 1.36 -0.27 0.00 0.02 0.00 0.00 55.36 56.47 1zml s GLN 221 Cb 0.00 -1.99 -0.10 0.00 1.00 0.00 0.00 33.01 31.92 1zml s GLN 221 CO 0.00 -1.00 1.41 0.50 -2.12 0.00 0.00 175.29 174.08 1zml s ARG 222 N -3.92 3.99 -1.42 2.91 3.52 -1.26 -2.79 118.95 119.97 1zml s ARG 222 Ca 0.67 2.41 -0.06 0.00 -0.13 0.00 0.00 55.73 58.62 1zml s ARG 222 Cb -0.19 -2.85 0.03 0.00 -1.56 0.00 0.00 34.95 30.38 1zml s ARG 222 CO 0.37 -0.57 0.48 0.39 -0.81 0.00 0.00 175.30 175.16 1zml n GLU 223 N 0.25 -3.94 -3.30 5.12 1.02 0.04 -4.88 120.64 114.95 1zml n GLU 223 Ca 0.03 0.72 -0.24 0.00 -0.02 0.00 0.00 57.16 57.65 1zml n GLU 223 Cb 0.41 -5.50 -0.08 0.00 -0.02 0.00 0.00 31.44 26.25 1zml n GLU 223 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1zml n ARG 224 N -3.76 0.29 -1.95 3.49 5.12 -1.12 -4.77 116.66 113.96 1zml n ARG 224 Ca -0.09 -3.04 -0.37 0.00 -1.93 0.00 0.00 57.85 52.42 1zml n ARG 224 Cb 0.59 -1.59 0.03 0.00 -1.16 0.00 0.00 32.46 30.33 1zml n ARG 224 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 1zml s PRO 225 N 0.00 3.10 0.45 5.56 0.02 -1.26 -4.50 135.00 138.38 1zml s PRO 225 Ca 0.33 1.98 -0.23 0.00 0.02 0.00 0.00 61.00 63.10 1zml s PRO 225 Cb 0.05 -2.10 -0.08 0.00 0.02 0.00 0.00 34.50 32.40 1zml s PRO 225 CO -0.18 -1.14 1.12 0.20 -0.33 0.00 0.00 177.00 176.67 1zml s GLY 226 N -1.33 2.72 -0.14 0.52 0.00 -0.33 -4.74 107.32 104.03 1zml s GLY 226 Ca 0.74 0.83 -0.03 0.00 0.00 0.00 0.00 44.72 46.26 1zml s GLY 226 CO 0.39 1.25 -0.05 0.14 0.00 0.00 0.00 173.10 174.83 1zml s VAL 227 N -1.64 3.82 0.11 1.40 1.01 0.95 -1.59 120.40 124.45 1zml s VAL 227 Ca 0.63 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 62.28 1zml s VAL 227 Cb -0.25 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1zml s VAL 227 CO 0.30 0.51 -0.15 -0.31 0.00 0.00 0.00 175.10 175.45 1zml s TYR 228 N 0.18 1.45 0.08 5.22 1.51 0.19 -1.89 117.35 124.08 1zml s TYR 228 Ca -0.02 -0.51 -0.31 0.00 -1.01 0.00 0.00 57.07 55.22 1zml s TYR 228 Cb -0.14 -0.77 -0.07 0.00 -0.11 0.00 0.00 41.96 40.87 1zml s TYR 228 CO 0.03 0.15 1.38 0.99 -1.11 0.00 0.00 175.55 176.99 1zml s THR 229 N -1.85 3.47 -1.08 -0.71 2.01 -0.45 -0.37 115.64 116.67 1zml s THR 229 Ca 0.07 1.02 -0.22 0.00 0.31 0.00 0.00 61.69 62.87 1zml s THR 229 Cb -0.07 -3.65 0.05 0.00 0.01 0.00 0.00 72.50 68.84 1zml s THR 229 CO 0.03 0.06 1.52 0.21 -0.69 0.00 0.00 174.62 175.75 1zml s ASN 230 N 1.32 6.55 0.29 3.53 2.47 -0.27 -2.43 114.94 126.40 1zml s ASN 230 Ca 0.64 -1.65 0.03 0.00 0.42 0.00 0.00 52.86 52.29 1zml s ASN 230 Cb -0.35 -2.57 0.71 0.00 -1.45 0.00 0.00 41.25 37.59 1zml s ASN 230 CO 0.29 -1.46 1.69 0.58 -3.72 0.00 0.00 177.10 174.48 1zml h VAL 231 N 6.54 0.45 -0.83 -5.21 2.07 -1.69 -0.79 116.25 116.79 1zml h VAL 231 Ca 0.25 -0.12 0.22 0.00 0.82 0.00 0.00 66.70 67.87 1zml h VAL 231 Cb 0.98 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1zml h VAL 231 CO 1.43 0.06 0.58 1.62 0.02 0.00 0.00 177.57 181.29 1zml h VAL 232 N 0.35 0.63 0.00 2.57 3.04 -1.83 0.40 116.25 121.41 1zml h VAL 232 Ca 0.55 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 66.19 1zml h VAL 232 Cb 1.05 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 1zml h VAL 232 CO -0.55 0.03 0.00 -0.62 -1.01 0.00 0.00 177.57 175.42 1zml n GLU 233 N -4.37 0.36 -0.01 4.17 -0.58 -0.30 -3.14 120.64 116.77 1zml n GLU 233 Ca 0.17 0.08 0.01 0.00 -0.42 0.00 0.00 57.16 57.00 1zml n GLU 233 Cb 0.81 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 30.19 1zml n GLU 233 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1zml n TYR 234 N -1.19 0.00 -0.16 -0.32 4.01 0.14 -4.75 117.16 114.89 1zml n TYR 234 Ca 0.10 -0.49 0.01 0.00 -0.16 0.00 0.00 57.90 57.36 1zml n TYR 234 Cb 0.12 -0.05 0.28 0.00 -0.31 0.00 0.00 39.34 39.37 1zml n TYR 234 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 1zml h VAL 235 N 0.31 1.18 -0.23 -0.72 -1.51 -1.52 0.25 116.25 114.00 1zml h VAL 235 Ca 0.00 -0.35 -0.04 0.00 -1.23 0.00 0.00 66.70 65.07 1zml h VAL 235 Cb 0.59 0.22 -0.01 0.00 -2.13 0.00 0.00 31.29 29.97 1zml h VAL 235 CO 0.00 0.18 -0.02 0.44 -1.23 0.00 0.00 177.57 176.93 1zml h ASP 236 N 0.90 0.43 -0.36 4.19 3.45 -1.85 -1.38 116.42 121.80 1zml h ASP 236 Ca 0.24 -0.34 0.01 0.00 0.43 0.00 0.00 57.03 57.38 1zml h ASP 236 Cb -0.07 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.56 1zml h ASP 236 CO -0.05 0.66 0.21 -0.25 -1.57 0.00 0.00 179.24 178.24 1zml h TRP 237 N 0.18 0.40 -0.50 4.55 7.01 -1.69 -0.35 115.95 125.56 1zml h TRP 237 Ca 0.06 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.09 1zml h TRP 237 Cb 0.46 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 1zml h TRP 237 CO 0.04 0.24 0.32 0.82 -2.79 0.00 0.00 178.44 177.07 1zml h ILE 238 N 0.43 1.10 -0.05 2.65 2.04 -0.45 -0.65 117.51 122.58 1zml h ILE 238 Ca 0.14 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1zml h ILE 238 Cb -0.01 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1zml h ILE 238 CO -0.06 0.12 -0.00 0.25 0.00 0.00 0.00 178.15 178.46 1zml h LEU 239 N 0.66 -0.02 -0.72 1.44 5.85 -0.90 -0.32 115.31 121.29 1zml h LEU 239 Ca 0.19 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.98 1zml h LEU 239 Cb -0.05 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 1zml h LEU 239 CO -0.06 -0.00 0.42 -0.08 -0.34 0.00 0.00 178.44 178.37 1zml h GLU 240 N 0.02 0.74 0.00 1.25 4.81 -0.65 -1.57 114.58 119.17 1zml h GLU 240 Ca 0.02 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 1zml h GLU 240 Cb 0.03 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1zml h GLU 240 CO -0.04 0.49 -0.73 0.87 -0.73 0.00 0.00 179.01 178.86 1zml h LYS 241 N 0.76 0.00 0.00 1.92 1.79 -0.91 -3.30 116.57 116.83 1zml h LYS 241 Ca 0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 1zml h LYS 241 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1zml h LYS 241 CO -0.18 0.73 -0.67 0.25 -1.08 0.00 0.00 179.45 178.50 1zml n THR 242 N -3.36 0.23 -3.02 -0.16 -2.24 -0.15 -4.77 114.28 100.81 1zml n THR 242 Ca 0.01 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 1zml n THR 242 Cb 0.80 0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.99 1zml n THR 242 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1zml s GLN 243 N -3.13 3.32 0.00 -0.78 -0.21 -0.61 -5.08 119.66 113.17 1zml s GLN 243 Ca 0.07 -0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.15 1zml s GLN 243 Cb 0.15 -3.97 0.00 0.00 1.00 0.00 0.00 33.01 30.19 1zml s GLN 243 CO 0.73 -1.13 0.37 0.00 -2.12 0.00 0.00 175.29 173.14