#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qml s HIS 2 N 0.00 1.22 0.09 3.17 2.46 -1.26 -4.92 115.29 116.04 1qml s HIS 2 Ca 0.00 0.73 0.04 0.00 0.47 0.00 0.00 55.06 56.29 1qml s HIS 2 Cb 0.00 -3.89 -0.04 0.00 -0.13 0.00 0.00 32.58 28.52 1qml s HIS 2 CO 0.00 -3.69 0.06 0.95 -2.47 0.00 0.00 174.74 169.59 1qml s THR 3 N 8.86 4.38 -0.57 0.89 -4.23 -1.26 -5.07 115.64 118.63 1qml s THR 3 Ca 0.98 -0.86 -0.27 0.00 -1.18 0.00 0.00 61.69 60.35 1qml s THR 3 Cb -0.29 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.44 1qml s THR 3 CO 0.33 0.10 1.57 0.00 -0.54 0.00 0.00 174.62 176.08 1qml s ALA 4 N -1.40 2.63 0.29 3.99 0.00 -1.26 -5.00 121.76 121.01 1qml s ALA 4 Ca 0.28 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 1qml s ALA 4 Cb -0.12 -4.17 -0.10 0.00 0.00 0.00 0.00 23.12 18.74 1qml s ALA 4 CO 0.21 -3.21 1.10 -2.00 0.00 0.00 0.00 175.76 171.86 1qml s GLU 5 N 5.98 4.59 -0.24 0.00 2.12 -1.26 -5.05 118.70 124.84 1qml s GLU 5 Ca 0.58 1.79 -0.02 0.00 0.36 0.00 0.00 54.97 57.68 1qml s GLU 5 Cb -0.12 -3.13 0.08 0.00 0.26 0.00 0.00 34.13 31.21 1qml s GLU 5 CO 0.24 0.17 0.05 -0.06 -0.54 0.00 0.00 175.26 175.12 1qml s PHE 6 N -1.20 1.39 0.95 5.30 0.40 -1.26 -5.14 117.98 118.42 1qml s PHE 6 Ca 0.46 -1.26 -0.11 0.00 -0.60 0.00 0.00 56.93 55.41 1qml s PHE 6 Cb -0.31 -1.32 0.11 0.00 0.51 0.00 0.00 43.02 42.01 1qml s PHE 6 CO 0.40 -0.73 0.82 1.28 0.70 0.00 0.00 175.22 177.69 1qml n LEU 7 N 4.94 1.51 -4.55 -0.37 4.77 -1.26 -4.96 117.00 117.08 1qml n LEU 7 Ca -0.07 0.33 -0.41 0.00 -0.03 0.00 0.00 56.01 55.83 1qml n LEU 7 Cb 0.45 -1.34 -0.08 0.00 -2.33 0.00 0.00 43.42 40.11 1qml n LEU 7 CO 0.13 -2.82 0.18 -1.83 -1.33 0.00 0.00 177.39 171.71 1qml s GLU 8 N -4.20 3.58 0.92 3.23 -1.05 -1.26 -5.05 118.70 114.87 1qml s GLU 8 Ca 0.63 -0.25 -0.13 0.00 -0.15 0.00 0.00 54.97 55.07 1qml s GLU 8 Cb -0.22 -3.82 0.15 0.00 -0.44 0.00 0.00 34.13 29.80 1qml s GLU 8 CO 0.62 -0.63 1.17 0.95 0.95 0.00 0.00 175.26 178.32 1qml s THR 9 N 2.30 1.97 0.19 1.83 -4.23 -1.26 -5.13 115.64 111.31 1qml s THR 9 Ca 0.17 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.79 1qml s THR 9 Cb -0.16 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 1qml s THR 9 CO 0.13 0.00 -0.24 -1.61 -0.54 0.00 0.00 174.62 172.36 1qml s GLU 10 N -5.43 1.50 0.32 3.99 2.02 -1.26 -5.11 118.70 114.73 1qml s GLU 10 Ca 0.65 -1.52 -0.29 0.00 0.02 0.00 0.00 54.97 53.83 1qml s GLU 10 Cb -0.12 -1.81 -0.11 0.00 0.10 0.00 0.00 34.13 32.20 1qml s GLU 10 CO 0.53 0.39 1.45 -2.14 0.02 0.00 0.00 175.26 175.50 1qml s PRO 11 N -2.70 4.21 0.13 0.39 0.02 -1.26 -4.89 135.00 130.91 1qml s PRO 11 Ca 0.21 2.42 -0.35 0.00 0.02 0.00 0.00 61.00 63.30 1qml s PRO 11 Cb -0.08 -3.03 -0.15 0.00 0.02 0.00 0.00 34.50 31.26 1qml s PRO 11 CO 0.10 -0.43 1.41 2.41 -0.33 0.00 0.00 177.00 180.16 1qml n THR 12 N 1.23 0.16 -2.77 0.99 -1.04 -1.26 -4.96 114.28 106.62 1qml n THR 12 Ca 0.03 -0.04 -0.40 0.00 -2.04 0.00 0.00 64.05 61.60 1qml n THR 12 Cb 0.40 -1.13 -0.06 0.00 -1.82 0.00 0.00 70.33 67.71 1qml n THR 12 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1qml s GLU 13 N 0.49 4.83 0.48 -2.82 0.41 -1.26 -4.92 118.70 115.90 1qml s GLU 13 Ca 0.80 1.46 0.32 0.00 -0.41 0.00 0.00 54.97 57.14 1qml s GLU 13 Cb -0.82 -3.28 1.53 0.00 -1.78 0.00 0.00 34.13 29.78 1qml s GLU 13 CO 0.44 0.52 1.97 0.82 -0.49 0.00 0.00 175.26 178.52 1qml h ILE 14 N 3.19 0.00 -1.34 -1.63 2.04 -1.97 -2.70 117.51 115.10 1qml h ILE 14 Ca -0.45 -0.23 -0.69 0.00 1.00 0.00 0.00 64.86 64.49 1qml h ILE 14 Cb 1.20 1.08 -0.27 0.00 -0.74 0.00 0.00 36.82 38.09 1qml h ILE 14 CO 0.68 0.00 0.90 -1.20 0.00 0.00 0.00 178.15 178.53 1qml n SER 15 N -2.75 7.54 0.00 1.72 7.64 -1.26 -3.67 113.62 122.83 1qml n SER 15 Ca -0.00 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.13 1qml n SER 15 Cb 0.18 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1qml n SER 15 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1qml n SER 16 N -0.64 0.00 -4.10 6.43 7.64 -1.02 -5.01 113.62 116.92 1qml n SER 16 Ca 0.57 -0.78 -0.36 0.00 1.01 0.00 0.00 58.87 59.31 1qml n SER 16 Cb 0.50 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.62 1qml n SER 16 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1qml s VAL 17 N 0.00 4.05 -0.24 0.44 1.01 -1.24 -4.83 120.40 119.59 1qml s VAL 17 Ca 0.00 -3.44 0.05 0.00 0.00 0.00 0.00 61.98 58.59 1qml s VAL 17 Cb 0.00 -3.57 -0.19 0.00 0.00 0.00 0.00 36.38 32.62 1qml s VAL 17 CO 0.00 -0.99 -0.12 0.18 0.00 0.00 0.00 175.10 174.18 1qml n LEU 18 N 2.88 2.24 -0.24 3.92 4.77 -1.26 -4.60 117.00 124.71 1qml n LEU 18 Ca 0.15 -0.08 0.21 0.00 -0.03 0.00 0.00 56.01 56.26 1qml n LEU 18 Cb 0.38 -0.58 0.33 0.00 -2.33 0.00 0.00 43.42 41.22 1qml n LEU 18 CO 0.34 0.83 0.73 0.00 -1.33 0.00 0.00 177.39 177.96 1qml n ALA 19 N -3.12 0.76 1.32 -1.18 0.00 -1.26 0.39 120.51 117.42 1qml n ALA 19 Ca -0.42 0.26 0.14 0.00 0.00 0.00 0.00 53.44 53.43 1qml n ALA 19 Cb 1.03 -0.46 0.63 0.00 0.00 0.00 0.00 19.45 20.66 1qml n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qml n GLY 20 N -1.38 -1.17 0.13 0.00 0.00 -1.26 -3.09 105.19 98.42 1qml n GLY 20 Ca 0.18 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1qml n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qml h GLY 21 N 4.99 0.00 -5.57 -0.02 0.00 -0.42 -3.39 103.07 98.67 1qml h GLY 21 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1qml h GLY 21 CO 0.00 0.00 -0.81 1.58 0.00 0.00 0.00 176.54 177.31 1qml n TYR 22 N -2.65 2.78 -0.04 5.60 0.18 -1.18 -4.77 117.16 117.09 1qml n TYR 22 Ca 0.02 -3.94 -0.08 0.00 1.88 0.00 0.00 57.90 55.77 1qml n TYR 22 Cb 0.52 -0.47 -0.03 0.00 -0.38 0.00 0.00 39.34 38.98 1qml n TYR 22 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 1qml n ASN 23 N 0.01 0.66 -4.77 9.48 0.23 -1.25 -4.96 115.26 114.65 1qml n ASN 23 Ca 0.29 0.09 -0.32 0.00 -0.53 0.00 0.00 54.58 54.10 1qml n ASN 23 Cb 0.47 -0.22 0.06 0.00 -2.08 0.00 0.00 39.78 38.01 1qml n ASN 23 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1qml s HIS 24 N -2.14 2.64 0.43 -2.53 2.46 -1.26 -4.92 115.29 109.96 1qml s HIS 24 Ca -0.11 1.55 0.20 0.00 0.47 0.00 0.00 55.06 57.17 1qml s HIS 24 Cb 0.04 -3.12 1.16 0.00 -0.13 0.00 0.00 32.58 30.54 1qml s HIS 24 CO 0.14 -1.69 2.01 -1.00 -2.47 0.00 0.00 174.74 171.73 1qml h PRO 25 N -0.32 0.00 -0.10 2.88 0.13 -2.00 -2.68 132.00 129.90 1qml h PRO 25 Ca -0.46 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 1qml h PRO 25 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1qml h PRO 25 CO 0.53 0.17 -0.63 1.25 -0.23 0.00 0.00 178.00 179.09 1qml h LEU 26 N 0.00 0.43 0.00 1.56 5.85 -2.01 -2.90 115.31 118.24 1qml h LEU 26 Ca -0.00 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1qml h LEU 26 Cb 0.35 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1qml h LEU 26 CO 0.02 0.96 0.00 0.18 -0.34 0.00 0.00 178.44 179.26 1qml n LEU 27 N -3.88 0.00 -1.13 2.25 4.77 -1.01 -1.68 117.00 116.32 1qml n LEU 27 Ca -0.03 0.23 0.11 0.00 -0.03 0.00 0.00 56.01 56.29 1qml n LEU 27 Cb 0.65 -0.23 0.27 0.00 -2.33 0.00 0.00 43.42 41.77 1qml n LEU 27 CO 0.46 -0.08 0.73 0.54 -1.33 0.00 0.00 177.39 177.71 1qml n ARG 28 N -1.23 2.43 -0.01 3.23 1.74 -1.09 -2.72 116.66 119.00 1qml n ARG 28 Ca 0.10 -2.21 -0.01 0.00 -0.77 0.00 0.00 57.85 54.96 1qml n ARG 28 Cb 0.14 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.06 1qml n ARG 28 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1qml n GLN 29 N 1.33 3.15 0.00 5.56 1.13 -0.68 -4.36 117.38 123.51 1qml n GLN 29 Ca 0.20 -0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.41 1qml n GLN 29 Cb 0.54 -1.08 0.73 0.00 0.11 0.00 0.00 30.24 30.54 1qml n GLN 29 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 1qml n TRP 30 N -2.07 0.00 0.22 1.08 7.02 -0.73 -3.08 117.44 119.88 1qml n TRP 30 Ca -0.05 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.47 1qml n TRP 30 Cb 0.55 -0.07 -0.05 0.00 -2.42 0.00 0.00 31.31 29.32 1qml n TRP 30 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1qml n GLN 31 N -0.71 2.79 -2.44 -0.99 1.13 -1.10 -4.97 117.38 111.09 1qml n GLN 31 Ca 0.19 -0.03 -0.43 0.00 -1.94 0.00 0.00 57.00 54.80 1qml n GLN 31 Cb 0.23 -0.99 -0.02 0.00 0.11 0.00 0.00 30.24 29.57 1qml n GLN 31 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1qml s SER 32 N -2.20 6.89 0.61 1.08 1.04 -1.18 -4.88 113.70 115.07 1qml s SER 32 Ca 0.01 1.56 0.27 0.00 0.48 0.00 0.00 55.95 58.26 1qml s SER 32 Cb 0.06 -2.54 1.35 0.00 0.10 0.00 0.00 66.02 64.98 1qml s SER 32 CO 0.32 -0.83 1.76 -0.33 0.98 0.00 0.00 173.24 175.14 1qml h GLU 33 N 8.43 0.00 -1.54 4.02 5.08 -1.89 -3.40 114.58 125.28 1qml h GLU 33 Ca -0.26 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.20 1qml h GLU 33 Cb 1.10 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.08 1qml h GLU 33 CO 0.99 0.00 0.41 -0.98 -1.00 0.00 0.00 179.01 178.43 1qml s ARG 34 N -4.43 0.40 -0.06 2.33 1.70 -1.26 -5.09 118.95 112.54 1qml s ARG 34 Ca -0.04 0.63 -0.13 0.00 -0.47 0.00 0.00 55.73 55.72 1qml s ARG 34 Cb 0.13 0.11 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 1qml s ARG 34 CO 0.44 -0.07 0.34 -0.65 -1.08 0.00 0.00 175.30 174.27 1qml s GLN 35 N 1.04 3.92 -0.22 3.89 -0.21 -1.26 -4.83 119.66 121.99 1qml s GLN 35 Ca -0.06 0.25 -0.29 0.00 0.02 0.00 0.00 55.36 55.28 1qml s GLN 35 Cb -0.04 -3.27 -0.03 0.00 1.00 0.00 0.00 33.01 30.67 1qml s GLN 35 CO -0.13 0.59 1.78 -1.17 -2.12 0.00 0.00 175.29 174.24 1qml s LEU 36 N -0.66 3.80 0.00 2.90 2.96 -1.26 -5.05 118.68 121.36 1qml s LEU 36 Ca 0.21 1.70 0.05 0.00 -0.22 0.00 0.00 54.13 55.87 1qml s LEU 36 Cb -0.15 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 43.06 1qml s LEU 36 CO 0.10 -1.44 0.39 0.35 -1.32 0.00 0.00 176.35 174.43 1qml n THR 37 N 6.74 0.00 0.10 3.68 -2.24 -1.26 -5.04 114.28 116.26 1qml n THR 37 Ca 0.21 -2.25 -0.14 0.00 -2.27 0.00 0.00 64.05 59.60 1qml n THR 37 Cb 0.45 0.02 -0.14 0.00 -2.10 0.00 0.00 70.33 68.57 1qml n THR 37 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1qml h LYS 38 N 0.00 0.23 -0.22 -0.78 1.57 -1.95 -3.30 116.57 112.12 1qml h LYS 38 Ca -0.36 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.03 1qml h LYS 38 Cb 1.30 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.76 1qml h LYS 38 CO 0.57 1.19 0.00 0.27 -0.57 0.00 0.00 179.45 180.91 1qml n ASN 39 N -3.50 0.22 -0.09 0.86 2.04 -1.26 -2.42 115.26 111.11 1qml n ASN 39 Ca -0.07 -1.00 -0.11 0.00 -0.44 0.00 0.00 54.58 52.96 1qml n ASN 39 Cb 1.01 -0.11 -0.10 0.00 -2.53 0.00 0.00 39.78 38.05 1qml n ASN 39 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 1qml n MET 40 N -0.17 0.90 -1.90 -3.83 2.81 -1.24 -4.96 117.12 108.72 1qml n MET 40 Ca 0.00 0.06 -0.42 0.00 -1.81 0.00 0.00 57.70 55.53 1qml n MET 40 Cb 0.05 -1.38 -0.03 0.00 -0.71 0.00 0.00 33.22 31.16 1qml n MET 40 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1qml s LEU 41 N -5.72 4.37 -0.20 4.03 1.43 -1.02 -1.53 118.68 120.05 1qml s LEU 41 Ca -0.19 2.51 0.01 0.00 -1.03 0.00 0.00 54.13 55.43 1qml s LEU 41 Cb 0.06 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.74 1qml s LEU 41 CO 0.50 -0.91 -0.18 -0.63 0.23 0.00 0.00 176.35 175.36 1qml s ILE 42 N 2.78 2.12 -0.22 -0.59 1.01 0.10 -4.30 121.20 122.11 1qml s ILE 42 Ca 0.75 -1.05 -0.16 0.00 0.00 0.00 0.00 60.65 60.19 1qml s ILE 42 Cb -0.40 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 1qml s ILE 42 CO 0.33 0.43 0.39 0.12 0.00 0.00 0.00 174.94 176.21 1qml s PHE 43 N 1.26 3.34 0.39 3.97 5.36 -0.83 -2.89 117.98 128.59 1qml s PHE 43 Ca 0.03 0.55 -0.25 0.00 -0.96 0.00 0.00 56.93 56.30 1qml s PHE 43 Cb -0.14 -2.54 -0.09 0.00 -0.34 0.00 0.00 43.02 39.91 1qml s PHE 43 CO -0.11 -0.07 1.09 -1.25 -1.46 0.00 0.00 175.22 173.42 1qml s PRO 44 N 1.53 4.14 -0.05 10.12 0.04 -1.26 -0.60 135.00 148.92 1qml s PRO 44 Ca 0.18 1.63 0.03 0.00 0.04 0.00 0.00 61.00 62.88 1qml s PRO 44 Cb -0.15 -2.62 0.01 0.00 0.04 0.00 0.00 34.50 31.78 1qml s PRO 44 CO 0.08 -0.19 -0.13 -0.51 0.04 0.00 0.00 177.00 176.29 1qml s LEU 45 N -2.54 1.77 -0.76 -3.56 1.43 0.96 -4.82 118.68 111.16 1qml s LEU 45 Ca 0.57 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1qml s LEU 45 Cb -0.25 -0.82 0.19 0.00 0.03 0.00 0.00 46.19 45.34 1qml s LEU 45 CO 0.32 0.08 0.58 -0.36 0.23 0.00 0.00 176.35 177.20 1qml s PHE 46 N 0.34 3.66 -0.53 0.29 0.08 -1.25 0.79 117.98 121.37 1qml s PHE 46 Ca -0.08 -3.17 -0.28 0.00 0.12 0.00 0.00 56.93 53.52 1qml s PHE 46 Cb -0.13 -2.95 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 1qml s PHE 46 CO 0.02 -0.65 1.52 0.42 -0.10 0.00 0.00 175.22 176.43 1qml s ILE 47 N -1.25 3.70 0.66 0.64 1.01 0.34 -2.45 121.20 123.85 1qml s ILE 47 Ca 0.25 0.60 -0.11 0.00 0.00 0.00 0.00 60.65 61.39 1qml s ILE 47 Cb -0.08 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 1qml s ILE 47 CO -0.13 -1.02 1.06 -0.55 0.00 0.00 0.00 174.94 174.29 1qml s SER 48 N 5.09 5.83 0.25 3.58 0.15 0.28 0.56 113.70 129.44 1qml s SER 48 Ca 0.58 1.25 0.26 0.00 0.70 0.00 0.00 55.95 58.74 1qml s SER 48 Cb -0.12 -2.18 0.78 0.00 -1.71 0.00 0.00 66.02 62.78 1qml s SER 48 CO 0.26 -1.10 1.75 -2.24 1.20 0.00 0.00 173.24 173.11 1qml h ASP 49 N -0.47 0.00 -2.84 5.45 3.04 0.09 -3.40 116.42 118.29 1qml h ASP 49 Ca -0.45 0.00 -0.69 0.00 -3.24 0.00 0.00 57.03 52.66 1qml h ASP 49 Cb 1.22 0.00 -0.19 0.00 -1.04 0.00 0.00 39.33 39.33 1qml h ASP 49 CO 0.63 0.00 0.28 0.21 -2.04 0.00 0.00 179.24 178.32 1qml s ASN 50 N -4.73 6.25 0.00 4.15 3.84 -1.26 -4.85 114.94 118.33 1qml s ASN 50 Ca 0.09 -1.44 0.00 0.00 0.21 0.00 0.00 52.86 51.72 1qml s ASN 50 Cb 0.11 -2.33 0.00 0.00 -0.55 0.00 0.00 41.25 38.48 1qml s ASN 50 CO 0.58 -1.17 0.00 -0.81 -2.79 0.00 0.00 177.10 172.92 1qml n PRO 51 N 6.58 0.00 0.00 0.43 -0.04 -1.26 0.12 135.00 140.82 1qml n PRO 51 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1qml n PRO 51 Cb 0.44 -0.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 1qml n PRO 51 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qml n ASP 52 N -0.01 0.85 -4.79 3.54 8.00 -1.26 -1.72 116.55 121.16 1qml n ASP 52 Ca 0.00 -1.18 -0.33 0.00 0.71 0.00 0.00 54.79 53.99 1qml n ASP 52 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1qml n ASP 52 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1qml s ASP 53 N -0.18 5.50 0.00 -2.24 2.15 0.33 -4.82 116.67 117.40 1qml s ASP 53 Ca 0.00 1.85 0.00 0.00 0.43 0.00 0.00 52.55 54.83 1qml s ASP 53 Cb 0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1qml s ASP 53 CO 0.00 -1.36 0.00 0.33 -0.17 0.00 0.00 175.17 173.97 1qml n PHE 54 N -2.29 0.00 -3.02 -5.34 -0.00 -0.52 0.35 117.46 106.65 1qml n PHE 54 Ca 0.09 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.13 1qml n PHE 54 Cb 0.53 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 39.95 1qml n PHE 54 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 1qml s THR 55 N 0.00 4.94 0.11 -2.13 2.01 -0.56 -4.82 115.64 115.20 1qml s THR 55 Ca 0.00 1.35 -0.31 0.00 0.31 0.00 0.00 61.69 63.04 1qml s THR 55 Cb 0.00 -4.02 -0.07 0.00 0.01 0.00 0.00 72.50 68.42 1qml s THR 55 CO 0.00 0.04 1.29 -1.61 -0.69 0.00 0.00 174.62 173.64 1qml s GLU 56 N 2.28 4.39 0.00 4.92 2.02 -1.26 0.46 118.70 131.51 1qml s GLU 56 Ca 0.31 1.93 0.00 0.00 0.02 0.00 0.00 54.97 57.24 1qml s GLU 56 Cb -0.16 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.79 1qml s GLU 56 CO 0.10 -0.31 0.00 -0.89 0.02 0.00 0.00 175.26 174.18 1qml n ILE 57 N 3.64 0.00 0.00 -1.63 5.41 -0.74 -4.94 119.36 121.10 1qml n ILE 57 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 1qml n ILE 57 Cb 0.44 -0.51 0.00 0.00 -0.71 0.00 0.00 39.64 38.87 1qml n ILE 57 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1qml n ASP 58 N 0.00 0.00 0.00 4.38 2.03 -1.26 -4.77 116.55 116.93 1qml n ASP 58 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1qml n ASP 58 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1qml n ASP 58 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1qml n SER 59 N 0.00 0.00 0.00 1.67 2.88 -1.26 -4.84 113.62 112.07 1qml n SER 59 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1qml n SER 59 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1qml n SER 59 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1qml n LEU 60 N -0.01 0.00 -4.46 2.46 4.32 -1.26 -4.98 117.00 113.06 1qml n LEU 60 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.67 1qml n LEU 60 Cb 0.00 0.00 0.13 0.00 -1.62 0.00 0.00 43.42 41.93 1qml n LEU 60 CO 0.00 0.00 0.06 -2.65 -1.22 0.00 0.00 177.39 173.58 1qml n PRO 61 N 0.00 -0.38 -2.11 3.23 -0.02 -1.26 -4.89 135.00 129.58 1qml n PRO 61 Ca 0.00 -0.06 -0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1qml n PRO 61 Cb 0.00 -1.96 0.04 0.00 -0.02 0.00 0.00 33.50 31.56 1qml n PRO 61 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1qml n ASN 62 N -1.95 0.40 -4.54 2.55 5.03 -1.26 -4.82 115.26 110.67 1qml n ASN 62 Ca 0.08 -2.05 -0.32 0.00 0.87 0.00 0.00 54.58 53.16 1qml n ASN 62 Cb 0.53 -0.08 -0.12 0.00 -1.02 0.00 0.00 39.78 39.10 1qml n ASN 62 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1qml s ILE 63 N -1.30 3.35 0.32 2.41 -1.09 -1.26 -5.09 121.20 118.54 1qml s ILE 63 Ca 0.21 -0.83 0.06 0.00 -2.23 0.00 0.00 60.65 57.87 1qml s ILE 63 Cb 0.31 -2.41 -0.03 0.00 -1.58 0.00 0.00 42.46 38.75 1qml s ILE 63 CO -0.09 0.44 0.25 0.20 -1.23 0.00 0.00 174.94 174.51 1qml s ASN 64 N -1.23 1.57 -0.87 3.58 -0.87 -1.26 -1.80 114.94 114.06 1qml s ASN 64 Ca 0.15 -1.71 0.01 0.00 -1.57 0.00 0.00 52.86 49.74 1qml s ASN 64 Cb -0.11 0.53 0.29 0.00 -0.02 0.00 0.00 41.25 41.94 1qml s ASN 64 CO 0.05 -1.03 1.16 -1.14 -2.57 0.00 0.00 177.10 173.57 1qml n ARG 65 N -0.60 3.64 -1.64 -0.60 3.00 0.17 -4.00 116.66 116.65 1qml n ARG 65 Ca 0.06 -4.63 -0.29 0.00 -0.00 0.00 0.00 57.85 52.99 1qml n ARG 65 Cb 0.63 -2.39 0.12 0.00 0.00 0.00 0.00 32.46 30.82 1qml n ARG 65 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1qml s ILE 66 N -2.82 2.00 0.32 5.15 1.09 -1.03 -1.43 121.20 124.48 1qml s ILE 66 Ca 0.36 0.00 0.08 0.00 -1.10 0.00 0.00 60.65 59.99 1qml s ILE 66 Cb 0.11 -2.82 -0.06 0.00 -1.06 0.00 0.00 42.46 38.63 1qml s ILE 66 CO 0.04 -0.00 -0.07 -0.83 -0.10 0.00 0.00 174.94 173.97 1qml s GLY 67 N -4.18 2.08 0.00 6.18 0.00 0.16 0.98 107.32 112.54 1qml s GLY 67 Ca 0.63 -2.04 0.09 0.00 0.00 0.00 0.00 44.72 43.40 1qml s GLY 67 CO 0.52 -1.96 1.19 -0.62 0.00 0.00 0.00 173.10 172.23 1qml n VAL 68 N -0.72 1.02 0.55 1.40 0.31 -1.25 -2.02 118.33 117.62 1qml n VAL 68 Ca -0.05 0.25 0.09 0.00 -0.01 0.00 0.00 64.34 64.62 1qml n VAL 68 Cb 0.64 -1.11 0.10 0.00 -0.91 0.00 0.00 33.84 32.55 1qml n VAL 68 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1qml n ASN 69 N -1.36 2.59 -0.09 4.52 3.02 -0.70 -4.31 115.26 118.93 1qml n ASN 69 Ca 0.03 -1.76 -0.10 0.00 -0.03 0.00 0.00 54.58 52.73 1qml n ASN 69 Cb 0.08 -0.06 -0.13 0.00 -0.61 0.00 0.00 39.78 39.06 1qml n ASN 69 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1qml n ARG 70 N 0.98 1.06 -0.32 3.52 5.12 -0.85 -4.65 116.66 121.51 1qml n ARG 70 Ca 0.11 0.02 0.27 0.00 -1.93 0.00 0.00 57.85 56.32 1qml n ARG 70 Cb 0.44 -1.44 0.50 0.00 -1.16 0.00 0.00 32.46 30.80 1qml n ARG 70 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1qml n LEU 71 N -2.74 0.22 0.00 0.55 4.32 -1.15 -0.71 117.00 117.49 1qml n LEU 71 Ca -0.30 1.65 0.10 0.00 -0.02 0.00 0.00 56.01 57.44 1qml n LEU 71 Cb 1.03 -0.75 0.60 0.00 -1.62 0.00 0.00 43.42 42.68 1qml n LEU 71 CO 0.34 -1.80 0.81 1.17 -1.22 0.00 0.00 177.39 176.68 1qml n LYS 72 N -5.30 0.75 -0.02 3.23 0.00 -1.26 -2.02 118.16 113.53 1qml n LYS 72 Ca 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.61 1qml n LYS 72 Cb 1.14 -1.42 -0.01 0.00 0.00 0.00 0.00 35.03 34.73 1qml n LYS 72 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1qml n ASP 73 N -0.92 0.53 -0.22 3.14 8.00 0.11 -4.09 116.55 123.09 1qml n ASP 73 Ca 0.15 0.04 -0.06 0.00 0.71 0.00 0.00 54.79 55.63 1qml n ASP 73 Cb 0.07 -0.11 0.04 0.00 -0.02 0.00 0.00 41.12 41.10 1qml n ASP 73 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1qml h TYR 74 N -0.13 0.82 -0.09 1.24 3.20 -1.54 -3.07 116.97 117.40 1qml h TYR 74 Ca -0.10 -0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.55 1qml h TYR 74 Cb 1.09 -0.27 0.01 0.00 1.54 0.00 0.00 36.73 39.10 1qml h TYR 74 CO -0.01 0.56 -0.84 -0.07 -1.64 0.00 0.00 178.16 176.16 1qml h LEU 75 N 0.85 0.80 -0.88 2.82 3.38 -1.68 -3.39 115.31 117.21 1qml h LEU 75 Ca 0.22 -0.56 0.08 0.00 0.09 0.00 0.00 57.88 57.72 1qml h LEU 75 Cb -0.03 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 40.38 1qml h LEU 75 CO -0.04 1.35 -0.53 0.50 0.09 0.00 0.00 178.44 179.80 1qml h LYS 76 N 0.43 -0.01 0.71 1.13 1.63 -1.68 -2.02 116.57 116.75 1qml h LYS 76 Ca -0.07 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.70 1qml h LYS 76 Cb 1.46 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.09 1qml h LYS 76 CO 0.16 -0.01 -0.42 -1.00 -3.45 0.00 0.00 179.45 174.74 1qml h PRO 77 N -0.01 -1.01 -0.86 1.90 0.13 -1.75 -2.16 132.00 128.24 1qml h PRO 77 Ca 0.14 0.07 0.17 0.00 -0.87 0.00 0.00 66.00 65.51 1qml h PRO 77 Cb 0.38 0.23 -0.16 0.00 0.13 0.00 0.00 31.00 31.57 1qml h PRO 77 CO -0.83 -0.67 -0.22 -0.07 -0.23 0.00 0.00 178.00 175.97 1qml h LEU 78 N -1.05 -0.83 -0.36 1.56 3.38 -1.74 0.56 115.31 116.84 1qml h LEU 78 Ca -0.10 0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1qml h LEU 78 Cb 0.83 0.54 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 1qml h LEU 78 CO 0.11 -0.29 0.22 0.58 0.09 0.00 0.00 178.44 179.15 1qml h VAL 79 N -0.00 1.12 0.00 1.22 2.07 -1.32 0.24 116.25 119.57 1qml h VAL 79 Ca 0.41 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1qml h VAL 79 Cb 0.63 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1qml h VAL 79 CO -0.89 0.12 0.00 0.00 0.02 0.00 0.00 177.57 176.82 1qml n ALA 80 N -2.22 1.31 1.34 1.67 0.00 0.16 0.55 120.51 123.33 1qml n ALA 80 Ca -0.00 0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.63 1qml n ALA 80 Cb 0.05 -1.22 0.53 0.00 0.00 0.00 0.00 19.45 18.81 1qml n ALA 80 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qml n LYS 81 N -1.87 0.69 0.00 0.00 5.02 0.81 -4.93 118.16 117.88 1qml n LYS 81 Ca 0.01 -0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 1qml n LYS 81 Cb 0.10 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1qml n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qml n GLY 82 N 1.31 0.71 3.60 0.72 0.00 0.19 -4.89 105.19 106.83 1qml n GLY 82 Ca 0.13 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.60 1qml n GLY 82 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1qml n LEU 83 N 0.00 1.39 -0.10 0.99 7.94 -1.10 -4.78 117.00 121.35 1qml n LEU 83 Ca 0.00 1.12 0.02 0.00 -1.11 0.00 0.00 56.01 56.05 1qml n LEU 83 Cb 0.00 -1.11 -0.00 0.00 0.53 0.00 0.00 43.42 42.83 1qml n LEU 83 CO 0.00 -1.13 0.16 0.54 -1.11 0.00 0.00 177.39 175.85 1qml n ARG 84 N 2.77 2.58 -3.68 1.96 5.12 -1.26 -4.74 116.66 119.41 1qml n ARG 84 Ca 0.20 -0.40 -0.10 0.00 -1.93 0.00 0.00 57.85 55.63 1qml n ARG 84 Cb 0.15 -0.90 -0.04 0.00 -1.16 0.00 0.00 32.46 30.51 1qml n ARG 84 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1qml s SER 85 N -0.88 -0.30 -0.01 0.55 0.15 -1.26 -0.71 113.70 111.23 1qml s SER 85 Ca 0.04 -0.39 -0.18 0.00 0.70 0.00 0.00 55.95 56.11 1qml s SER 85 Cb 0.04 0.57 0.03 0.00 -1.71 0.00 0.00 66.02 64.95 1qml s SER 85 CO 0.11 -1.02 0.39 0.68 1.20 0.00 0.00 173.24 174.60 1qml s VAL 86 N -3.85 0.05 -0.32 4.45 -7.23 -0.82 -1.96 120.40 110.71 1qml s VAL 86 Ca 0.07 -0.39 0.04 0.00 -1.81 0.00 0.00 61.98 59.89 1qml s VAL 86 Cb -0.01 -0.73 0.09 0.00 0.56 0.00 0.00 36.38 36.29 1qml s VAL 86 CO -0.05 -0.21 0.02 -0.51 -0.31 0.00 0.00 175.10 174.03 1qml s ILE 87 N -1.45 2.20 0.22 -0.62 2.07 0.23 -0.74 121.20 123.12 1qml s ILE 87 Ca -0.12 -2.16 -0.30 0.00 -1.41 0.00 0.00 60.65 56.66 1qml s ILE 87 Cb -0.04 -2.56 -0.09 0.00 0.13 0.00 0.00 42.46 39.90 1qml s ILE 87 CO 0.05 -0.48 1.32 -0.76 -1.91 0.00 0.00 174.94 173.15 1qml s LEU 88 N 0.97 4.42 -0.28 8.50 1.43 -0.51 -0.03 118.68 133.18 1qml s LEU 88 Ca 0.07 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 1qml s LEU 88 Cb -0.19 -3.62 0.09 0.00 0.03 0.00 0.00 46.19 42.50 1qml s LEU 88 CO -0.08 -0.54 0.05 -0.36 0.23 0.00 0.00 176.35 175.65 1qml s PHE 89 N -0.10 2.09 0.16 0.29 0.08 0.24 -1.96 117.98 118.77 1qml s PHE 89 Ca 0.56 -1.82 -0.27 0.00 0.12 0.00 0.00 56.93 55.52 1qml s PHE 89 Cb -0.37 -1.78 -0.07 0.00 -0.57 0.00 0.00 43.02 40.22 1qml s PHE 89 CO 0.41 -0.83 0.85 0.20 -0.10 0.00 0.00 175.22 175.75 1qml s GLY 90 N 1.49 2.97 -0.37 4.36 0.00 -1.26 -0.51 107.32 114.00 1qml s GLY 90 Ca 0.05 0.46 0.02 0.00 0.00 0.00 0.00 44.72 45.25 1qml s GLY 90 CO -0.16 1.10 0.13 0.14 0.00 0.00 0.00 173.10 174.31 1qml s VAL 91 N -0.78 1.67 -0.00 1.40 1.01 0.19 -4.90 120.40 118.99 1qml s VAL 91 Ca 0.40 -2.20 -0.30 0.00 0.00 0.00 0.00 61.98 59.88 1qml s VAL 91 Cb -0.24 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 1qml s VAL 91 CO 0.28 -0.71 1.28 -2.16 0.00 0.00 0.00 175.10 173.79 1qml s PRO 92 N 0.88 4.35 0.00 2.72 0.04 -1.26 0.78 135.00 142.50 1qml s PRO 92 Ca 0.13 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1qml s PRO 92 Cb -0.20 -3.50 -0.00 0.00 0.04 0.00 0.00 34.50 30.84 1qml s PRO 92 CO -0.11 -0.44 0.17 1.28 0.04 0.00 0.00 177.00 177.93 1qml n LEU 93 N 4.89 0.33 -4.75 -3.56 4.77 -1.26 -4.87 117.00 112.55 1qml n LEU 93 Ca 0.11 -0.65 -0.37 0.00 -0.03 0.00 0.00 56.01 55.07 1qml n LEU 93 Cb 0.45 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1qml n LEU 93 CO 0.57 0.08 0.87 -0.63 -1.33 0.00 0.00 177.39 176.95 1qml s ILE 94 N -0.72 2.47 0.12 -0.08 1.01 -1.26 -4.93 121.20 117.81 1qml s ILE 94 Ca 0.00 0.31 0.32 0.00 0.00 0.00 0.00 60.65 61.28 1qml s ILE 94 Cb 0.00 -3.13 0.32 0.00 0.01 0.00 0.00 42.46 39.66 1qml s ILE 94 CO 0.01 -0.05 1.97 -0.65 0.00 0.00 0.00 174.94 176.22 1qml h PRO 95 N 1.01 0.00 -1.75 2.79 0.11 -2.06 -3.36 132.00 128.74 1qml h PRO 95 Ca -0.51 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.09 1qml h PRO 95 Cb 1.30 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 32.06 1qml h PRO 95 CO 0.55 0.00 -1.02 0.41 -0.21 0.00 0.00 178.00 177.73 1qml n GLY 96 N -0.92 2.44 0.00 -0.55 0.00 -1.26 -4.88 105.19 100.02 1qml n GLY 96 Ca -0.01 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1qml n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qml n THR 97 N 1.52 0.00 -0.37 2.61 -2.24 -1.26 -5.06 114.28 109.48 1qml n THR 97 Ca 0.20 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.68 1qml n THR 97 Cb 0.54 0.74 0.07 0.00 -2.10 0.00 0.00 70.33 69.58 1qml n THR 97 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qml n LYS 98 N -0.87 -2.14 0.00 -0.78 4.76 -1.26 -4.33 118.16 113.54 1qml n LYS 98 Ca 0.00 -0.43 0.00 0.00 -2.87 0.00 0.00 58.31 55.01 1qml n LYS 98 Cb 0.00 -0.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.72 1qml n LYS 98 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1qml n ASP 99 N -3.62 0.00 0.00 4.39 5.68 -1.24 -4.79 116.55 116.97 1qml n ASP 99 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 1qml n ASP 99 Cb 0.16 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1qml n ASP 99 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 1qml n PRO 100 N -1.34 0.00 -0.59 0.11 -0.02 -1.26 -2.61 135.00 129.30 1qml n PRO 100 Ca 0.00 0.30 -0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1qml n PRO 100 Cb 0.00 -1.54 -0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1qml n PRO 100 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1qml n VAL 101 N -1.27 0.00 -3.91 -1.45 0.24 -1.26 -4.79 118.33 105.88 1qml n VAL 101 Ca 0.00 -0.05 -0.35 0.00 -2.04 0.00 0.00 64.34 61.90 1qml n VAL 101 Cb 0.04 0.25 0.01 0.00 -1.47 0.00 0.00 33.84 32.68 1qml n VAL 101 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qml n GLY 102 N 0.02 -0.95 0.18 7.63 0.00 -1.10 -4.82 105.19 106.16 1qml n GLY 102 Ca -0.02 0.41 -0.16 0.00 0.00 0.00 0.00 46.02 46.25 1qml n GLY 102 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qml h THR 103 N -1.35 1.34 0.00 2.61 2.02 -1.85 -3.09 112.91 112.59 1qml h THR 103 Ca -0.63 -1.84 0.00 0.00 0.77 0.00 0.00 66.41 64.71 1qml h THR 103 Cb 1.29 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.82 1qml h THR 103 CO 0.42 0.56 0.00 0.00 0.37 0.00 0.00 175.52 176.87 1qml n ALA 104 N -2.56 1.44 -0.72 6.16 0.00 -1.26 -3.82 120.51 119.75 1qml n ALA 104 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1qml n ALA 104 Cb 0.62 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1qml n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qml n ALA 105 N -1.18 -0.11 1.33 0.00 0.00 -1.17 -3.39 120.51 115.98 1qml n ALA 105 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.49 1qml n ALA 105 Cb 0.02 0.07 0.20 0.00 0.00 0.00 0.00 19.45 19.74 1qml n ALA 105 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1qml n ASP 106 N -1.07 0.00 -4.51 0.00 5.68 -1.25 -4.89 116.55 110.52 1qml n ASP 106 Ca 0.00 -1.11 -0.27 0.00 -0.50 0.00 0.00 54.79 52.91 1qml n ASP 106 Cb 0.00 0.00 -0.19 0.00 -1.14 0.00 0.00 41.12 39.79 1qml n ASP 106 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1qml n ASP 107 N -0.66 -0.57 0.00 -1.12 -0.08 -1.22 -4.85 116.55 108.05 1qml n ASP 107 Ca 0.05 -0.40 0.00 0.00 -1.51 0.00 0.00 54.79 52.93 1qml n ASP 107 Cb 0.02 -0.77 0.00 0.00 2.34 0.00 0.00 41.12 42.71 1qml n ASP 107 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1qml n PRO 108 N 6.76 0.00 -0.85 -0.67 -0.02 -1.26 -0.72 135.00 138.25 1qml n PRO 108 Ca 0.65 0.04 0.05 0.00 -2.02 0.00 0.00 63.50 62.22 1qml n PRO 108 Cb 0.14 -1.80 0.15 0.00 -0.02 0.00 0.00 33.50 31.98 1qml n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qml n ALA 109 N -0.90 3.27 -2.25 3.55 0.00 -1.26 -4.65 120.51 118.27 1qml n ALA 109 Ca 0.00 -3.01 -0.22 0.00 0.00 0.00 0.00 53.44 50.20 1qml n ALA 109 Cb 0.30 -0.46 -0.01 0.00 0.00 0.00 0.00 19.45 19.28 1qml n ALA 109 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qml s GLY 110 N -2.87 2.15 0.12 0.00 0.00 0.11 -4.89 107.32 101.93 1qml s GLY 110 Ca 0.37 -1.71 -0.23 0.00 0.00 0.00 0.00 44.72 43.15 1qml s GLY 110 CO -0.10 -1.78 1.30 -1.05 0.00 0.00 0.00 173.10 171.47 1qml n PRO 111 N -1.74 -0.32 0.16 2.90 -0.02 -1.26 0.01 135.00 134.73 1qml n PRO 111 Ca 0.04 1.28 -0.10 0.00 -2.02 0.00 0.00 63.50 62.69 1qml n PRO 111 Cb 0.63 -1.88 -0.05 0.00 -0.02 0.00 0.00 33.50 32.17 1qml n PRO 111 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1qml h VAL 112 N 0.00 0.00 0.00 -1.45 2.07 -1.90 -0.80 116.25 114.16 1qml h VAL 112 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1qml h VAL 112 Cb 0.30 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1qml h VAL 112 CO -0.69 0.00 0.00 0.40 0.02 0.00 0.00 177.57 177.30 1qml h ILE 113 N -0.56 0.00 -0.31 4.57 2.04 -1.82 0.98 117.51 122.41 1qml h ILE 113 Ca -0.04 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1qml h ILE 113 Cb 0.48 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1qml h ILE 113 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.12 1qml n GLN 114 N -2.95 2.20 -0.08 2.37 1.13 0.10 -2.97 117.38 117.18 1qml n GLN 114 Ca 0.01 -1.82 -0.16 0.00 -1.94 0.00 0.00 57.00 53.09 1qml n GLN 114 Cb 0.33 -1.46 -0.06 0.00 0.11 0.00 0.00 30.24 29.16 1qml n GLN 114 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qml n GLY 115 N 1.36 -0.26 0.29 1.08 0.00 -0.31 -4.31 105.19 103.04 1qml n GLY 115 Ca 0.18 -0.09 0.20 0.00 0.00 0.00 0.00 46.02 46.31 1qml n GLY 115 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qml h ILE 116 N -0.46 0.00 0.00 -0.61 2.04 -0.92 -0.92 117.51 116.64 1qml h ILE 116 Ca -0.41 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1qml h ILE 116 Cb 1.41 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 1qml h ILE 116 CO -0.21 0.00 -0.89 0.29 0.00 0.00 0.00 178.15 177.34 1qml n LYS 117 N -2.98 0.22 0.10 2.37 4.76 -1.16 -3.58 118.16 117.89 1qml n LYS 117 Ca -0.01 0.01 -0.20 0.00 -2.87 0.00 0.00 58.31 55.23 1qml n LYS 117 Cb 0.16 -1.58 -0.15 0.00 -1.84 0.00 0.00 35.03 31.62 1qml n LYS 117 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1qml h PHE 118 N 0.00 0.67 0.04 2.13 3.04 -1.38 -3.36 116.94 118.09 1qml h PHE 118 Ca 0.00 -0.49 -0.00 0.00 3.98 0.00 0.00 57.97 61.46 1qml h PHE 118 Cb 0.68 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.16 1qml h PHE 118 CO 0.00 1.47 -0.02 0.82 -2.02 0.00 0.00 178.31 178.56 1qml h ILE 119 N 0.10 1.19 0.00 1.41 5.03 -1.56 -0.60 117.51 123.08 1qml h ILE 119 Ca -0.24 -1.71 0.00 0.00 -0.12 0.00 0.00 64.86 62.78 1qml h ILE 119 Cb 2.07 2.17 0.00 0.00 -3.03 0.00 0.00 36.82 38.03 1qml h ILE 119 CO 0.21 0.37 0.48 0.54 -0.68 0.00 0.00 178.15 179.07 1qml n ARG 120 N -4.73 0.06 -0.03 2.37 5.12 -1.24 0.56 116.66 118.77 1qml n ARG 120 Ca -0.07 0.53 -0.07 0.00 -1.93 0.00 0.00 57.85 56.31 1qml n ARG 120 Cb 0.32 -2.17 -0.03 0.00 -1.16 0.00 0.00 32.46 29.42 1qml n ARG 120 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1qml n GLU 121 N -1.94 0.16 0.08 5.56 2.13 -1.24 -4.34 120.64 121.05 1qml n GLU 121 Ca -0.01 0.06 0.03 0.00 0.66 0.00 0.00 57.16 57.91 1qml n GLU 121 Cb 0.49 -0.87 -0.02 0.00 0.27 0.00 0.00 31.44 31.30 1qml n GLU 121 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 1qml h TYR 122 N -0.17 0.00 -2.03 4.31 0.05 -0.29 -3.39 116.97 115.45 1qml h TYR 122 Ca -0.17 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.07 1qml h TYR 122 Cb 1.18 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.52 1qml h TYR 122 CO -0.01 0.42 -1.07 1.19 -1.05 0.00 0.00 178.16 177.64 1qml n PHE 123 N -2.95 0.37 0.32 4.88 3.72 0.19 -4.96 117.46 119.03 1qml n PHE 123 Ca -0.04 -3.71 0.19 0.00 -0.05 0.00 0.00 57.45 53.84 1qml n PHE 123 Cb 0.74 -0.40 1.01 0.00 -0.94 0.00 0.00 39.48 39.90 1qml n PHE 123 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1qml h PRO 124 N 3.68 0.00 0.08 -1.08 0.13 -1.71 -2.81 132.00 130.29 1qml h PRO 124 Ca 0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1qml h PRO 124 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1qml h PRO 124 CO 0.52 0.00 -0.04 0.93 -0.23 0.00 0.00 178.00 179.18 1qml h GLU 125 N 0.00 -0.10 -6.41 0.86 5.08 -1.93 -3.46 114.58 108.62 1qml h GLU 125 Ca 0.01 0.01 -0.50 0.00 -1.00 0.00 0.00 59.36 57.88 1qml h GLU 125 Cb 0.32 0.02 0.24 0.00 0.50 0.00 0.00 28.75 29.83 1qml h GLU 125 CO -0.00 0.10 -1.48 1.28 -1.00 0.00 0.00 179.01 177.92 1qml n LEU 126 N -5.05 -2.72 -3.91 1.33 4.77 -1.06 -4.98 117.00 105.39 1qml n LEU 126 Ca -0.08 0.09 -0.30 0.00 -0.03 0.00 0.00 56.01 55.69 1qml n LEU 126 Cb 0.15 -0.88 -0.16 0.00 -2.33 0.00 0.00 43.42 40.19 1qml n LEU 126 CO 0.33 -3.76 -0.42 -0.47 -1.33 0.00 0.00 177.39 171.75 1qml s TYR 127 N -2.18 2.08 -0.28 -1.77 6.14 0.11 -4.96 117.35 116.49 1qml s TYR 127 Ca 0.48 -1.49 -0.21 0.00 0.64 0.00 0.00 57.07 56.50 1qml s TYR 127 Cb -0.11 -1.46 -0.01 0.00 0.42 0.00 0.00 41.96 40.80 1qml s TYR 127 CO 0.70 -0.72 0.64 0.42 0.64 0.00 0.00 175.55 177.23 1qml s ILE 128 N 1.50 4.95 -0.10 3.14 1.09 -1.26 -1.95 121.20 128.57 1qml s ILE 128 Ca -0.04 1.01 -0.02 0.00 -1.10 0.00 0.00 60.65 60.50 1qml s ILE 128 Cb -0.18 -3.98 -0.03 0.00 -1.06 0.00 0.00 42.46 37.21 1qml s ILE 128 CO -0.07 -0.07 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.06 1qml s ILE 129 N 2.59 4.18 -0.16 2.92 1.09 0.08 0.44 121.20 132.33 1qml s ILE 129 Ca 0.26 -0.29 0.01 0.00 -1.10 0.00 0.00 60.65 59.53 1qml s ILE 129 Cb -0.15 -2.77 0.02 0.00 -1.06 0.00 0.00 42.46 38.50 1qml s ILE 129 CO 0.10 0.58 -0.16 0.00 -0.10 0.00 0.00 174.94 175.36 1qml s ASP 131 N 1.36 6.68 -0.39 0.00 2.15 -0.83 -1.55 116.67 124.09 1qml s ASP 131 Ca 0.04 2.74 0.02 0.00 0.43 0.00 0.00 52.55 55.78 1qml s ASP 131 Cb -0.13 -2.65 0.11 0.00 -0.30 0.00 0.00 42.92 39.95 1qml s ASP 131 CO -0.11 -0.62 0.13 -0.69 -0.17 0.00 0.00 175.17 173.72 1qml s VAL 132 N -0.94 2.63 -0.07 1.11 1.01 -0.71 -4.87 120.40 118.56 1qml s VAL 132 Ca 0.51 -2.43 -0.27 0.00 0.00 0.00 0.00 61.98 59.80 1qml s VAL 132 Cb -0.41 -2.88 0.06 0.00 0.00 0.00 0.00 36.38 33.15 1qml s VAL 132 CO 0.53 -0.66 0.61 0.00 0.00 0.00 0.00 175.10 175.58 1qml n LEU 134 N 1.21 1.89 0.15 0.00 4.77 -1.26 -4.54 117.00 119.22 1qml n LEU 134 Ca -0.19 -0.86 -0.07 0.00 -0.03 0.00 0.00 56.01 54.86 1qml n LEU 134 Cb 0.57 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1qml n LEU 134 CO 0.21 0.43 0.51 0.00 -1.33 0.00 0.00 177.39 177.22 1qml h GLU 136 N -0.42 0.00 -0.42 0.00 5.08 -1.80 -3.05 114.58 113.98 1qml h GLU 136 Ca -0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1qml h GLU 136 Cb 0.33 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 1qml h GLU 136 CO 0.05 0.00 0.06 0.66 -1.00 0.00 0.00 179.01 178.78 1qml n TYR 137 N -3.33 1.43 -4.99 4.33 4.01 -1.23 -4.88 117.16 112.49 1qml n TYR 137 Ca -0.03 -1.13 -0.27 0.00 -0.16 0.00 0.00 57.90 56.31 1qml n TYR 137 Cb 0.10 -0.47 -0.16 0.00 -0.31 0.00 0.00 39.34 38.50 1qml n TYR 137 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1qml s THR 138 N -2.97 1.61 0.12 -0.72 -4.23 -1.15 -3.41 115.64 104.89 1qml s THR 138 Ca 0.47 -0.85 -0.34 0.00 -1.18 0.00 0.00 61.69 59.79 1qml s THR 138 Cb 0.39 -1.35 -0.12 0.00 1.34 0.00 0.00 72.50 72.75 1qml s THR 138 CO 0.08 0.46 1.55 0.77 -0.54 0.00 0.00 174.62 176.94 1qml h SER 139 N 5.86 -1.76 -0.49 3.99 4.64 -1.81 0.36 113.55 124.34 1qml h SER 139 Ca -0.36 0.22 -0.04 0.00 -0.47 0.00 0.00 61.79 61.14 1qml h SER 139 Cb 1.15 0.70 -0.03 0.00 -0.31 0.00 0.00 62.40 63.91 1qml h SER 139 CO 0.48 -0.46 0.19 1.12 -0.87 0.00 0.00 176.83 177.28 1qml h HIS 140 N -0.54 0.81 0.00 4.77 -0.00 -1.94 -3.46 115.15 114.79 1qml h HIS 140 Ca 0.04 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1qml h HIS 140 Cb 0.66 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.82 1qml h HIS 140 CO -0.62 0.65 0.00 0.41 -0.00 0.00 0.00 177.93 178.36 1qml n GLY 141 N -1.00 0.74 3.73 6.13 0.00 0.13 -5.06 105.19 109.85 1qml n GLY 141 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1qml n GLY 141 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qml s HIS 142 N -2.82 2.33 -0.95 1.61 3.76 -1.26 -4.39 115.29 113.57 1qml s HIS 142 Ca 0.00 1.47 -0.17 0.00 -0.15 0.00 0.00 55.06 56.21 1qml s HIS 142 Cb 0.00 -3.12 0.15 0.00 1.11 0.00 0.00 32.58 30.71 1qml s HIS 142 CO 0.00 -2.20 1.11 0.00 -0.85 0.00 0.00 174.74 172.81 1qml n GLY 144 N 5.12 3.79 3.52 0.00 0.00 -1.26 -4.88 105.19 111.49 1qml n GLY 144 Ca 0.24 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 1qml n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qml s VAL 145 N -2.10 4.37 0.63 1.61 1.01 -1.26 -4.92 120.40 119.74 1qml s VAL 145 Ca 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 1qml s VAL 145 Cb 0.00 -4.55 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 1qml s VAL 145 CO 0.00 -1.13 1.03 -0.76 0.00 0.00 0.00 175.10 174.24 1qml s LEU 146 N 4.00 3.21 0.00 3.92 1.43 -1.26 -0.54 118.68 129.45 1qml s LEU 146 Ca 0.31 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 1qml s LEU 146 Cb -0.12 -4.46 0.00 0.00 0.03 0.00 0.00 46.19 41.63 1qml s LEU 146 CO 0.19 -0.95 0.00 -1.22 0.23 0.00 0.00 176.35 174.61 1qml n TYR 147 N -2.80 -0.46 -2.10 0.29 4.01 -1.16 -4.69 117.16 110.25 1qml n TYR 147 Ca 0.06 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.48 1qml n TYR 147 Cb 0.54 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.53 1qml n TYR 147 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1qml s ASP 148 N -1.00 5.33 -1.40 7.72 1.01 -1.26 -3.66 116.67 123.40 1qml s ASP 148 Ca 0.00 -0.37 -0.04 0.00 0.71 0.00 0.00 52.55 52.85 1qml s ASP 148 Cb 0.00 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.39 1qml s ASP 148 CO 0.00 -2.49 0.08 0.47 0.21 0.00 0.00 175.17 173.44 1qml n ASP 149 N 12.99 0.30 -0.71 0.27 9.92 -1.26 -4.82 116.55 133.23 1qml n ASP 149 Ca 0.31 -1.19 0.00 0.00 -0.53 0.00 0.00 54.79 53.38 1qml n ASP 149 Cb 0.49 -1.48 0.00 0.00 -0.64 0.00 0.00 41.12 39.49 1qml n ASP 149 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qml n GLY 150 N -2.42 1.49 1.86 0.44 0.00 -1.24 -5.17 105.19 100.15 1qml n GLY 150 Ca -0.28 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 1qml n GLY 150 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qml n THR 151 N 0.00 0.19 -1.53 2.61 -2.24 -1.26 -3.03 114.28 109.02 1qml n THR 151 Ca 0.00 -0.05 -0.53 0.00 -2.27 0.00 0.00 64.05 61.20 1qml n THR 151 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1qml n THR 151 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1qml n ILE 152 N 0.66 0.48 -3.07 2.28 5.41 -1.26 -2.98 119.36 120.87 1qml n ILE 152 Ca 0.10 -0.12 -0.44 0.00 1.00 0.00 0.00 62.75 63.29 1qml n ILE 152 Cb 0.06 -0.40 0.00 0.00 -0.71 0.00 0.00 39.64 38.59 1qml n ILE 152 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1qml n ASN 153 N 1.93 5.37 0.00 4.38 5.15 0.30 -4.84 115.26 127.55 1qml n ASN 153 Ca 0.18 -3.02 0.00 0.00 -0.60 0.00 0.00 54.58 51.14 1qml n ASN 153 Cb 0.17 -1.49 0.00 0.00 -0.53 0.00 0.00 39.78 37.93 1qml n ASN 153 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1qml n ARG 154 N 4.32 0.00 -0.45 1.20 0.63 -1.26 -1.05 116.66 120.05 1qml n ARG 154 Ca 0.32 0.00 0.38 0.00 -0.92 0.00 0.00 57.85 57.63 1qml n ARG 154 Cb 0.41 -0.07 0.63 0.00 0.45 0.00 0.00 32.46 33.88 1qml n ARG 154 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1qml n GLU 155 N 0.00 -0.03 0.07 -0.14 2.13 -1.26 0.06 120.64 121.47 1qml n GLU 155 Ca 0.00 1.12 -0.03 0.00 0.66 0.00 0.00 57.16 58.91 1qml n GLU 155 Cb 0.00 -2.25 -0.01 0.00 0.27 0.00 0.00 31.44 29.45 1qml n GLU 155 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1qml h ARG 156 N 0.00 -0.18 -0.97 5.31 9.65 -1.41 -1.14 114.38 125.64 1qml h ARG 156 Ca 0.81 0.01 0.32 0.00 -1.10 0.00 0.00 59.98 60.01 1qml h ARG 156 Cb 2.68 0.04 -0.17 0.00 -1.39 0.00 0.00 29.97 31.13 1qml h ARG 156 CO -0.37 -0.12 0.33 0.77 2.80 0.00 0.00 179.97 183.38 1qml h SER 157 N -0.31 0.05 0.08 -3.80 0.02 0.32 0.53 113.55 110.44 1qml h SER 157 Ca -0.02 0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1qml h SER 157 Cb 0.14 0.31 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1qml h SER 157 CO 0.03 -0.29 -0.04 -0.37 -1.14 0.00 0.00 176.83 175.02 1qml h VAL 158 N 0.11 1.11 -0.91 2.27 -1.51 -0.43 0.57 116.25 117.46 1qml h VAL 158 Ca 0.69 -0.66 0.15 0.00 -1.23 0.00 0.00 66.70 65.64 1qml h VAL 158 Cb 1.58 1.53 -0.07 0.00 -2.13 0.00 0.00 31.29 32.20 1qml h VAL 158 CO -0.76 0.16 0.59 -1.28 -1.23 0.00 0.00 177.57 175.05 1qml h SER 159 N -0.40 0.68 -0.09 4.19 0.87 0.11 0.87 113.55 119.78 1qml h SER 159 Ca -0.01 0.05 -0.15 0.00 -1.23 0.00 0.00 61.79 60.44 1qml h SER 159 Cb 0.35 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1qml h SER 159 CO 0.02 0.34 -0.54 -0.09 -0.53 0.00 0.00 176.83 176.02 1qml h ARG 160 N 0.72 0.52 0.05 2.24 9.65 0.16 -3.16 114.38 124.56 1qml h ARG 160 Ca 0.46 -0.44 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1qml h ARG 160 Cb 0.73 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.41 1qml h ARG 160 CO -0.22 1.07 -0.03 -0.07 2.80 0.00 0.00 179.97 183.53 1qml h LEU 161 N 0.11 -0.06 -1.99 3.80 3.38 0.14 -2.56 115.31 118.13 1qml h LEU 161 Ca -0.04 -0.15 0.19 0.00 0.09 0.00 0.00 57.88 57.96 1qml h LEU 161 Cb 1.19 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1qml h LEU 161 CO 0.11 0.12 0.50 0.00 0.09 0.00 0.00 178.44 179.25 1qml h ALA 162 N 0.70 2.55 0.41 1.53 0.00 -0.99 -0.86 119.26 122.59 1qml h ALA 162 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1qml h ALA 162 Cb 0.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1qml h ALA 162 CO 0.01 -0.83 -0.20 0.00 0.00 0.00 0.00 179.25 178.24 1qml h ALA 163 N 1.61 -0.55 0.45 0.00 0.00 -1.42 -2.73 119.26 116.62 1qml h ALA 163 Ca 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1qml h ALA 163 Cb 1.30 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1qml h ALA 163 CO -0.00 -0.73 -0.32 0.28 0.00 0.00 0.00 179.25 178.48 1qml h VAL 164 N -0.71 0.34 -0.89 0.00 2.07 -1.05 -2.29 116.25 113.71 1qml h VAL 164 Ca -0.06 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.71 1qml h VAL 164 Cb 0.50 0.34 -0.17 0.00 -1.52 0.00 0.00 31.29 30.45 1qml h VAL 164 CO 0.09 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.69 1qml n ALA 165 N -2.56 0.45 0.09 1.67 0.00 -0.54 0.39 120.51 120.01 1qml n ALA 165 Ca -0.11 0.96 -0.17 0.00 0.00 0.00 0.00 53.44 54.12 1qml n ALA 165 Cb 0.35 -0.70 -0.11 0.00 0.00 0.00 0.00 19.45 18.99 1qml n ALA 165 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1qml h VAL 166 N 0.00 1.40 -0.56 0.00 2.07 -1.35 -3.07 116.25 114.74 1qml h VAL 166 Ca 0.54 -2.70 -0.05 0.00 0.82 0.00 0.00 66.70 65.31 1qml h VAL 166 Cb 1.10 2.72 -0.03 0.00 -1.52 0.00 0.00 31.29 33.56 1qml h VAL 166 CO -0.84 0.80 0.15 0.78 0.02 0.00 0.00 177.57 178.47 1qml h ASN 167 N 0.18 0.80 0.18 0.57 2.35 0.53 0.43 115.58 120.62 1qml h ASN 167 Ca -0.14 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 1qml h ASN 167 Cb 1.84 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 40.00 1qml h ASN 167 CO 0.20 0.78 -0.09 1.88 -1.65 0.00 0.00 177.43 178.56 1qml h TYR 168 N 0.83 -0.22 0.00 1.19 0.05 -1.14 0.65 116.97 118.33 1qml h TYR 168 Ca 0.18 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.96 1qml h TYR 168 Cb 0.29 0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.10 1qml h TYR 168 CO 0.02 -0.13 0.00 0.00 -1.05 0.00 0.00 178.16 177.00 1qml h ALA 169 N 0.57 1.00 0.00 3.88 0.00 -1.33 -1.07 119.26 122.32 1qml h ALA 169 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.54 1qml h ALA 169 Cb 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1qml h ALA 169 CO 0.04 0.00 -2.22 1.17 0.00 0.00 0.00 179.25 178.24 1qml n LYS 170 N -2.37 0.68 0.26 0.00 4.81 0.15 -4.20 118.16 117.49 1qml n LYS 170 Ca -0.01 0.06 0.14 0.00 -0.87 0.00 0.00 58.31 57.64 1qml n LYS 170 Cb 0.07 -1.59 0.63 0.00 0.02 0.00 0.00 35.03 34.16 1qml n LYS 170 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qml h ALA 171 N 1.01 1.04 0.00 3.14 0.00 0.36 -3.47 119.26 121.33 1qml h ALA 171 Ca -0.48 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1qml h ALA 171 Cb 2.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1qml h ALA 171 CO 0.04 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1qml n GLY 172 N -0.06 1.52 3.76 0.00 0.00 -0.80 -4.79 105.19 104.83 1qml n GLY 172 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1qml n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qml s ALA 173 N -2.00 3.38 -0.01 4.61 0.00 -0.95 -4.99 121.76 121.81 1qml s ALA 173 Ca 0.00 0.51 -0.20 0.00 0.00 0.00 0.00 51.96 52.27 1qml s ALA 173 Cb 0.00 -3.11 -0.27 0.00 0.00 0.00 0.00 23.12 19.74 1qml s ALA 173 CO 0.00 0.24 1.03 0.45 0.00 0.00 0.00 175.76 177.48 1qml h HIS 174 N 4.20 0.63 -3.61 0.00 -0.00 -1.80 -3.41 115.15 111.15 1qml h HIS 174 Ca -0.46 -0.39 -0.42 0.00 -0.00 0.00 0.00 60.37 59.11 1qml h HIS 174 Cb 1.20 -0.05 -0.19 0.00 -0.00 0.00 0.00 27.41 28.37 1qml h HIS 174 CO 0.62 1.24 -0.76 0.00 -0.00 0.00 0.00 177.93 179.03 1qml s VAL 176 N -2.05 0.65 -0.64 0.00 -7.23 -1.13 0.35 120.40 110.35 1qml s VAL 176 Ca 0.08 -0.34 -0.05 0.00 -1.81 0.00 0.00 61.98 59.86 1qml s VAL 176 Cb -0.05 -0.93 0.17 0.00 0.56 0.00 0.00 36.38 36.12 1qml s VAL 176 CO 0.03 0.06 0.48 0.00 -0.31 0.00 0.00 175.10 175.36 1qml s ALA 177 N 1.83 3.64 0.20 1.32 0.00 -0.60 -1.83 121.76 126.33 1qml s ALA 177 Ca 0.02 -3.18 -0.32 0.00 0.00 0.00 0.00 51.96 48.47 1qml s ALA 177 Cb -0.15 -2.82 -0.12 0.00 0.00 0.00 0.00 23.12 20.03 1qml s ALA 177 CO -0.07 -2.10 1.72 -0.35 0.00 0.00 0.00 175.76 174.96 1qml n PRO 178 N 3.74 2.73 -0.25 0.00 -0.04 -1.26 -1.75 135.00 138.18 1qml n PRO 178 Ca 0.07 0.99 0.09 0.00 -0.04 0.00 0.00 63.50 64.61 1qml n PRO 178 Cb 0.40 -2.83 0.20 0.00 -0.04 0.00 0.00 33.50 31.23 1qml n PRO 178 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1qml n SER 179 N 4.02 3.08 0.00 3.54 3.41 -0.77 -3.43 113.62 123.47 1qml n SER 179 Ca 0.16 -3.06 0.00 0.00 -0.26 0.00 0.00 58.87 55.71 1qml n SER 179 Cb 0.34 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1qml n SER 179 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1qml n ASP 180 N -1.00 0.00 0.00 4.04 5.75 -1.26 -4.97 116.55 119.12 1qml n ASP 180 Ca 0.19 0.16 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 1qml n ASP 180 Cb 0.76 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.85 1qml n ASP 180 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1qml n MET 181 N -0.33 0.00 -2.89 0.11 2.81 -1.26 -4.89 117.12 110.67 1qml n MET 181 Ca 0.00 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.47 1qml n MET 181 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.47 1qml n MET 181 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1qml s ILE 182 N -2.00 4.69 0.14 2.02 1.01 -1.26 -4.77 121.20 121.03 1qml s ILE 182 Ca 0.00 1.09 -0.16 0.00 0.00 0.00 0.00 60.65 61.58 1qml s ILE 182 Cb 0.00 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.13 1qml s ILE 182 CO 0.00 -0.43 0.26 0.47 0.00 0.00 0.00 174.94 175.24 1qml n ASP 183 N 6.50 -0.94 -0.61 3.58 8.00 -1.26 -1.86 116.55 129.95 1qml n ASP 183 Ca 0.05 0.64 -0.06 0.00 0.71 0.00 0.00 54.79 56.12 1qml n ASP 183 Cb 0.48 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 1qml n ASP 183 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qml n GLY 184 N 1.24 0.60 0.24 0.44 0.00 -1.26 -4.81 105.19 101.64 1qml n GLY 184 Ca 0.10 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.28 1qml n GLY 184 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qml h ARG 185 N 0.00 0.00 0.11 1.61 -0.00 -1.78 -3.02 114.38 111.30 1qml h ARG 185 Ca -0.13 0.00 -0.16 0.00 -0.00 0.00 0.00 59.98 59.69 1qml h ARG 185 Cb 0.82 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.81 1qml h ARG 185 CO 0.19 0.00 -0.69 0.82 -0.00 0.00 0.00 179.97 180.29 1qml h ILE 186 N 0.00 1.54 -0.90 0.08 1.08 -1.87 -2.48 117.51 114.96 1qml h ILE 186 Ca 0.00 -2.46 0.20 0.00 -0.39 0.00 0.00 64.86 62.21 1qml h ILE 186 Cb 0.21 3.16 -0.12 0.00 -3.07 0.00 0.00 36.82 37.00 1qml h ILE 186 CO 0.00 0.69 0.44 -0.09 -0.69 0.00 0.00 178.15 178.50 1qml h ARG 187 N -0.42 0.49 -0.15 2.37 2.43 -1.62 -0.86 114.38 116.62 1qml h ARG 187 Ca -0.12 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 58.85 1qml h ARG 187 Cb 1.53 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.98 1qml h ARG 187 CO 0.13 0.32 -0.58 -0.44 -1.51 0.00 0.00 179.97 177.90 1qml h ASP 188 N 0.50 0.76 0.60 -3.80 3.32 -1.66 -1.74 116.42 114.40 1qml h ASP 188 Ca 0.55 -0.61 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 1qml h ASP 188 Cb 0.97 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1qml h ASP 188 CO -0.47 1.25 -0.33 0.40 -1.72 0.00 0.00 179.24 178.37 1qml h ILE 189 N 0.32 0.94 0.24 0.35 2.04 -0.75 0.33 117.51 120.99 1qml h ILE 189 Ca -0.03 -1.26 -0.34 0.00 1.00 0.00 0.00 64.86 64.23 1qml h ILE 189 Cb 1.21 1.74 0.03 0.00 -0.74 0.00 0.00 36.82 39.07 1qml h ILE 189 CO 0.12 0.32 -1.51 0.50 0.00 0.00 0.00 178.15 177.58 1qml h LYS 190 N 0.00 0.51 -0.12 2.37 1.63 -1.24 -2.66 116.57 117.06 1qml h LYS 190 Ca -0.00 -0.87 -0.01 0.00 -0.85 0.00 0.00 60.65 58.92 1qml h LYS 190 Cb 0.72 0.32 -0.01 0.00 -0.60 0.00 0.00 32.23 32.67 1qml h LYS 190 CO 0.04 1.42 0.04 -0.09 -3.45 0.00 0.00 179.45 177.41 1qml h ARG 191 N 0.14 0.18 -0.27 1.90 9.65 -1.12 -1.48 114.38 123.38 1qml h ARG 191 Ca -0.26 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.62 1qml h ARG 191 Cb 2.16 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 30.67 1qml h ARG 191 CO 0.26 0.32 0.05 0.78 2.80 0.00 0.00 179.97 184.18 1qml h GLY 192 N 0.01 0.31 2.00 2.80 0.00 -1.03 0.45 103.07 107.62 1qml h GLY 192 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1qml h GLY 192 CO -0.00 -0.01 -0.07 1.41 0.00 0.00 0.00 176.54 177.86 1qml h LEU 193 N 0.15 0.00 0.12 3.11 3.38 -1.35 0.08 115.31 120.80 1qml h LEU 193 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1qml h LEU 193 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1qml h LEU 193 CO -0.17 0.07 -0.06 0.40 0.09 0.00 0.00 178.44 178.78 1qml h ILE 194 N 0.00 1.01 -0.46 1.22 2.04 0.12 1.00 117.51 122.44 1qml h ILE 194 Ca -0.00 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.64 1qml h ILE 194 Cb 0.20 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1qml h ILE 194 CO 0.01 0.26 0.29 0.78 0.00 0.00 0.00 178.15 179.49 1qml h ASN 195 N -0.81 0.49 0.00 1.72 2.35 -0.93 0.47 115.58 118.87 1qml h ASN 195 Ca -0.02 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1qml h ASN 195 Cb 0.55 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1qml h ASN 195 CO 0.03 0.35 0.00 0.00 -1.65 0.00 0.00 177.43 176.16 1qml n ALA 196 N -2.24 1.77 -3.93 -0.83 0.00 -0.00 -4.82 120.51 110.45 1qml n ALA 196 Ca 0.02 -0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 1qml n ALA 196 Cb 0.04 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 1qml n ALA 196 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1qml n ASN 197 N -0.97 -1.89 0.00 0.00 5.15 0.16 -4.87 115.26 112.85 1qml n ASN 197 Ca 0.05 -1.07 0.00 0.00 -0.60 0.00 0.00 54.58 52.96 1qml n ASN 197 Cb 0.02 -2.85 0.00 0.00 -0.53 0.00 0.00 39.78 36.42 1qml n ASN 197 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1qml n LEU 198 N -4.44 0.46 -0.26 1.20 4.77 0.33 -4.86 117.00 114.21 1qml n LEU 198 Ca -0.24 -0.46 0.06 0.00 -0.03 0.00 0.00 56.01 55.35 1qml n LEU 198 Cb 0.65 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.93 1qml n LEU 198 CO 0.74 0.11 0.92 0.00 -1.33 0.00 0.00 177.39 177.83 1qml h ALA 199 N 0.00 0.97 0.00 -1.18 0.00 -1.47 -0.82 119.26 116.75 1qml h ALA 199 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1qml h ALA 199 Cb 0.35 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1qml h ALA 199 CO 0.00 -0.37 0.00 -2.39 0.00 0.00 0.00 179.25 176.49 1qml n HIS 200 N -5.20 0.00 0.00 0.00 1.44 -1.26 -3.82 115.22 106.39 1qml n HIS 200 Ca 0.15 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.86 1qml n HIS 200 Cb 0.49 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.57 1qml n HIS 200 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1qml n LYS 201 N -0.32 2.26 -4.02 -1.40 5.02 -0.35 -5.05 118.16 114.30 1qml n LYS 201 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1qml n LYS 201 Cb 0.08 -0.67 -0.10 0.00 -0.02 0.00 0.00 35.03 34.31 1qml n LYS 201 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1qml s THR 202 N -1.11 4.62 -0.72 -0.18 2.01 -0.99 -4.88 115.64 114.39 1qml s THR 202 Ca 0.00 -0.09 -0.26 0.00 0.31 0.00 0.00 61.69 61.65 1qml s THR 202 Cb 0.00 -3.09 0.04 0.00 0.01 0.00 0.00 72.50 69.46 1qml s THR 202 CO 0.00 0.44 1.19 0.12 -0.69 0.00 0.00 174.62 175.68 1qml s PHE 203 N 0.57 2.40 -0.45 4.92 2.19 -1.02 -4.88 117.98 121.71 1qml s PHE 203 Ca 0.03 -0.20 -0.29 0.00 0.33 0.00 0.00 56.93 56.79 1qml s PHE 203 Cb -0.13 -4.53 0.02 0.00 -1.31 0.00 0.00 43.02 37.07 1qml s PHE 203 CO 0.01 -1.95 1.25 0.08 1.83 0.00 0.00 175.22 176.44 1qml s VAL 204 N 5.24 4.09 -0.87 3.12 1.01 -1.26 -2.82 120.40 128.91 1qml s VAL 204 Ca 0.31 1.11 -0.04 0.00 0.00 0.00 0.00 61.98 63.37 1qml s VAL 204 Cb -0.11 -4.43 0.22 0.00 0.00 0.00 0.00 36.38 32.06 1qml s VAL 204 CO 0.13 -0.89 0.76 -0.22 0.00 0.00 0.00 175.10 174.88 1qml s LEU 205 N 4.84 5.67 0.98 3.92 2.96 -0.76 -1.36 118.68 134.94 1qml s LEU 205 Ca 0.53 -3.50 -0.11 0.00 -0.22 0.00 0.00 54.13 50.83 1qml s LEU 205 Cb -0.10 -1.95 0.18 0.00 0.50 0.00 0.00 46.19 44.82 1qml s LEU 205 CO 0.32 -0.25 1.10 -0.55 -1.32 0.00 0.00 176.35 175.65 1qml s SER 206 N 0.31 2.43 -0.51 3.68 0.15 -1.05 -4.07 113.70 114.64 1qml s SER 206 Ca 0.25 1.89 0.03 0.00 0.70 0.00 0.00 55.95 58.82 1qml s SER 206 Cb -0.10 -2.44 0.43 0.00 -1.71 0.00 0.00 66.02 62.19 1qml s SER 206 CO -0.10 -3.36 1.48 -1.22 1.20 0.00 0.00 173.24 171.24 1qml n TYR 207 N -4.38 3.08 -0.45 3.44 4.02 -1.22 0.93 117.16 122.58 1qml n TYR 207 Ca 0.08 -2.66 0.38 0.00 -0.01 0.00 0.00 57.90 55.69 1qml n TYR 207 Cb 0.53 -0.64 0.59 0.00 -0.02 0.00 0.00 39.34 39.80 1qml n TYR 207 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1qml n ALA 208 N -0.66 1.35 -3.67 -0.72 0.00 -1.19 -2.90 120.51 112.73 1qml n ALA 208 Ca 0.48 0.47 -0.28 0.00 0.00 0.00 0.00 53.44 54.11 1qml n ALA 208 Cb 0.69 -0.81 -0.12 0.00 0.00 0.00 0.00 19.45 19.21 1qml n ALA 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qml s ALA 209 N -4.42 2.47 -0.37 0.00 0.00 -0.63 -4.52 121.76 114.28 1qml s ALA 209 Ca -0.04 -2.97 -0.02 0.00 0.00 0.00 0.00 51.96 48.93 1qml s ALA 209 Cb 0.19 -1.88 0.09 0.00 0.00 0.00 0.00 23.12 21.52 1qml s ALA 209 CO 0.63 -2.05 0.14 0.21 0.00 0.00 0.00 175.76 174.70 1qml s LYS 210 N -0.36 2.09 0.75 0.00 2.20 -1.14 0.36 119.74 123.63 1qml s LYS 210 Ca 0.25 -1.66 -0.03 0.00 -0.36 0.00 0.00 55.97 54.17 1qml s LYS 210 Cb -0.08 -3.45 0.14 0.00 -1.51 0.00 0.00 37.83 32.92 1qml s LYS 210 CO -0.12 -0.94 1.04 -0.06 -0.36 0.00 0.00 175.35 174.91 1qml s PHE 211 N 1.16 1.61 -0.18 4.03 0.40 -0.48 -3.56 117.98 120.95 1qml s PHE 211 Ca 0.05 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.20 1qml s PHE 211 Cb -0.22 -3.13 0.03 0.00 0.51 0.00 0.00 43.02 40.21 1qml s PHE 211 CO -0.03 -1.82 -0.16 -1.54 0.70 0.00 0.00 175.22 172.36 1qml s SER 212 N -4.75 3.08 0.17 1.36 1.04 -1.10 -4.71 113.70 108.79 1qml s SER 212 Ca 0.67 -0.66 -0.19 0.00 0.48 0.00 0.00 55.95 56.24 1qml s SER 212 Cb -0.05 -1.35 0.04 0.00 0.10 0.00 0.00 66.02 64.77 1qml s SER 212 CO 0.45 -0.05 0.53 -0.83 0.98 0.00 0.00 173.24 174.33 1qml s GLY 213 N 1.36 -0.32 0.00 7.32 0.00 -1.26 -4.48 107.32 109.94 1qml s GLY 213 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.82 1qml s GLY 213 CO -0.11 -0.12 0.00 -2.01 0.00 0.00 0.00 173.10 170.86 1qml n ASN 214 N -0.33 0.00 -1.90 1.64 4.05 -1.26 -3.59 115.26 113.87 1qml n ASN 214 Ca -0.14 0.00 0.02 0.00 0.45 0.00 0.00 54.58 54.92 1qml n ASN 214 Cb 0.63 0.00 0.36 0.00 1.23 0.00 0.00 39.78 42.01 1qml n ASN 214 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1qml n LEU 215 N -0.38 5.74 0.00 1.20 4.77 -1.26 -4.25 117.00 122.82 1qml n LEU 215 Ca 0.00 -2.94 0.00 0.00 -0.03 0.00 0.00 56.01 53.04 1qml n LEU 215 Cb 0.00 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1qml n LEU 215 CO 0.00 0.67 -0.42 -1.22 -1.33 0.00 0.00 177.39 175.09 1qml n TYR 216 N 0.36 0.00 -3.28 -1.77 4.01 -1.24 -1.27 117.16 113.98 1qml n TYR 216 Ca 0.31 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 58.09 1qml n TYR 216 Cb 1.24 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 40.22 1qml n TYR 216 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1qml s GLY 217 N -2.08 0.45 0.67 2.72 0.00 -1.26 -4.76 107.32 103.05 1qml s GLY 217 Ca 0.00 3.80 -0.17 0.00 0.00 0.00 0.00 44.72 48.35 1qml s GLY 217 CO 0.00 3.26 0.60 -1.05 0.00 0.00 0.00 173.10 175.91 1qml n PRO 218 N 4.12 0.44 0.00 2.90 -0.02 -1.26 -4.84 135.00 136.34 1qml n PRO 218 Ca -0.09 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1qml n PRO 218 Cb 0.56 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1qml n PRO 218 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1qml n PHE 219 N -2.13 0.00 -0.21 6.00 0.99 -1.26 -5.11 117.46 115.73 1qml n PHE 219 Ca 0.11 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.59 1qml n PHE 219 Cb 0.49 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 38.96 1qml n PHE 219 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1qml s TYR 235 N -2.71 3.44 -0.30 0.00 1.51 -1.26 -5.02 117.35 113.00 1qml s TYR 235 Ca 0.00 1.46 -0.12 0.00 -1.01 0.00 0.00 57.07 57.40 1qml s TYR 235 Cb 0.00 -3.16 0.16 0.00 -0.11 0.00 0.00 41.96 38.85 1qml s TYR 235 CO 0.00 -0.30 0.90 -1.14 -1.11 0.00 0.00 175.55 173.90 1qml s GLN 236 N 2.38 0.36 0.29 -0.62 0.74 -1.26 -4.65 119.66 116.90 1qml s GLN 236 Ca 0.44 0.82 -0.28 0.00 0.05 0.00 0.00 55.36 56.39 1qml s GLN 236 Cb -0.17 0.49 -0.14 0.00 1.10 0.00 0.00 33.01 34.29 1qml s GLN 236 CO 0.13 -0.20 0.95 1.28 -0.55 0.00 0.00 175.29 176.91 1qml n LEU 237 N 5.19 1.48 -4.75 3.68 4.77 -1.23 -4.75 117.00 121.39 1qml n LEU 237 Ca -0.08 1.17 -0.40 0.00 -0.03 0.00 0.00 56.01 56.66 1qml n LEU 237 Cb 0.52 -1.25 -0.05 0.00 -2.33 0.00 0.00 43.42 40.31 1qml n LEU 237 CO -0.04 -1.59 0.73 -2.16 -1.33 0.00 0.00 177.39 173.00 1qml s PRO 238 N -1.52 4.73 0.37 3.23 0.04 -1.26 -2.72 135.00 137.88 1qml s PRO 238 Ca 0.59 1.67 0.14 0.00 0.04 0.00 0.00 61.00 63.43 1qml s PRO 238 Cb -0.72 -3.23 0.96 0.00 0.04 0.00 0.00 34.50 31.55 1qml s PRO 238 CO 0.59 0.34 1.81 -1.00 0.04 0.00 0.00 177.00 178.79 1qml h PRO 239 N 4.01 0.52 0.00 0.56 0.13 -1.95 -1.00 132.00 134.27 1qml h PRO 239 Ca -0.46 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 1qml h PRO 239 Cb 1.21 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1qml h PRO 239 CO 0.68 0.34 -0.97 0.00 -0.23 0.00 0.00 178.00 177.82 1qml h ALA 240 N 1.62 0.58 -1.38 -0.56 0.00 -1.97 -3.44 119.26 114.12 1qml h ALA 240 Ca 0.53 -0.18 -0.46 0.00 0.00 0.00 0.00 54.91 54.80 1qml h ALA 240 Cb 1.14 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1qml h ALA 240 CO -0.27 0.20 1.27 0.20 0.00 0.00 0.00 179.25 180.65 1qml s GLY 241 N -4.44 0.15 0.14 0.00 0.00 -0.38 -4.73 107.32 98.06 1qml s GLY 241 Ca -0.00 -0.74 0.20 0.00 0.00 0.00 0.00 44.72 44.19 1qml s GLY 241 CO 0.78 3.48 0.93 -2.13 0.00 0.00 0.00 173.10 176.16 1qml n ARG 242 N 9.13 0.61 0.10 2.90 0.63 -1.26 -4.23 116.66 124.54 1qml n ARG 242 Ca 0.24 0.14 -0.18 0.00 -0.92 0.00 0.00 57.85 57.14 1qml n ARG 242 Cb 0.51 -1.81 -0.14 0.00 0.45 0.00 0.00 32.46 31.48 1qml n ARG 242 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1qml h GLY 243 N 3.90 0.35 0.99 5.14 0.00 -1.97 -3.27 103.07 108.21 1qml h GLY 243 Ca -0.06 -0.90 -0.01 0.00 0.00 0.00 0.00 47.33 46.35 1qml h GLY 243 CO 0.02 0.79 -0.11 1.41 0.00 0.00 0.00 176.54 178.65 1qml h LEU 244 N 0.08 -0.26 -1.94 3.11 3.38 -1.97 -2.35 115.31 115.36 1qml h LEU 244 Ca -0.19 -0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.02 1qml h LEU 244 Cb 2.02 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.80 1qml h LEU 244 CO 0.20 -0.18 0.69 0.00 0.09 0.00 0.00 178.44 179.24 1qml h ALA 245 N 0.45 2.76 0.05 1.53 0.00 -1.74 0.90 119.26 123.21 1qml h ALA 245 Ca -0.03 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.58 1qml h ALA 245 Cb 0.25 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1qml h ALA 245 CO 0.05 -1.13 -1.39 0.00 0.00 0.00 0.00 179.25 176.78 1qml h ARG 246 N 0.00 0.11 0.00 0.00 3.08 -1.48 -3.01 114.38 113.07 1qml h ARG 246 Ca 0.41 -0.19 -0.18 0.00 0.07 0.00 0.00 59.98 60.10 1qml h ARG 246 Cb 1.78 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.87 1qml h ARG 246 CO -0.00 0.93 -0.84 0.00 -1.07 0.00 0.00 179.97 178.99 1qml h ARG 247 N 0.03 0.00 0.00 0.04 3.08 -0.09 -2.38 114.38 115.06 1qml h ARG 247 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1qml h ARG 247 Cb 1.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.98 1qml h ARG 247 CO 0.13 0.84 0.00 0.00 -1.07 0.00 0.00 179.97 179.87 1qml h ALA 248 N 1.16 1.00 0.00 0.04 0.00 0.53 -1.97 119.26 120.02 1qml h ALA 248 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1qml h ALA 248 Cb 1.58 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1qml h ALA 248 CO 0.11 0.00 -0.95 1.28 0.00 0.00 0.00 179.25 179.69 1qml n LEU 249 N -2.63 1.87 -0.08 0.00 4.77 -1.14 -3.61 117.00 116.18 1qml n LEU 249 Ca 0.05 0.49 0.26 0.00 -0.03 0.00 0.00 56.01 56.77 1qml n LEU 249 Cb 0.46 -0.84 0.70 0.00 -2.33 0.00 0.00 43.42 41.41 1qml n LEU 249 CO 0.31 -0.21 1.23 -0.08 -1.33 0.00 0.00 177.39 177.31 1qml h GLU 250 N -1.00 0.00 0.05 3.23 4.81 -1.52 0.42 114.58 120.57 1qml h GLU 250 Ca -0.11 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1qml h GLU 250 Cb 0.87 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1qml h GLU 250 CO -0.07 0.00 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.10 1qml h ARG 251 N 0.00 -0.07 0.00 1.92 2.43 -1.52 -3.06 114.38 114.08 1qml h ARG 251 Ca 0.35 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1qml h ARG 251 Cb 1.68 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.25 1qml h ARG 251 CO -0.00 0.51 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.51 1qml h ASP 252 N -0.92 0.00 -0.11 -3.80 5.19 -1.01 -0.32 116.42 115.45 1qml h ASP 252 Ca -0.01 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.17 1qml h ASP 252 Cb 0.61 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.13 1qml h ASP 252 CO 0.01 0.02 -0.81 -0.03 -3.12 0.00 0.00 179.24 175.31 1qml h MET 253 N 0.00 0.77 -0.47 3.56 4.05 -0.32 -1.32 114.93 121.20 1qml h MET 253 Ca -0.00 -0.65 -0.06 0.00 -0.28 0.00 0.00 59.70 58.71 1qml h MET 253 Cb 0.09 0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 1qml h MET 253 CO 0.00 1.25 0.06 0.77 0.23 0.00 0.00 176.91 179.23 1qml h SER 254 N 0.51 0.75 0.00 1.39 0.02 -1.19 -3.05 113.55 111.98 1qml h SER 254 Ca -0.06 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1qml h SER 254 Cb 1.45 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1qml h SER 254 CO 0.17 0.83 0.00 -0.62 -1.14 0.00 0.00 176.83 176.06 1qml n GLU 255 N -4.44 0.55 0.00 3.45 1.02 -0.22 -4.85 120.64 116.14 1qml n GLU 255 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1qml n GLU 255 Cb 0.26 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1qml n GLU 255 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qml n GLY 256 N 0.06 2.58 3.58 0.62 0.00 -1.15 -3.77 105.19 107.12 1qml n GLY 256 Ca 0.05 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.58 1qml n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qml n ALA 257 N -0.73 -0.80 0.27 4.61 0.00 -0.50 -4.85 120.51 118.50 1qml n ALA 257 Ca 0.00 0.48 0.11 0.00 0.00 0.00 0.00 53.44 54.03 1qml n ALA 257 Cb 0.00 -2.05 -0.10 0.00 0.00 0.00 0.00 19.45 17.30 1qml n ALA 257 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qml n ASP 258 N 2.20 0.38 -3.69 0.00 9.92 -0.46 -4.75 116.55 120.15 1qml n ASP 258 Ca 0.16 -0.15 -0.10 0.00 -0.53 0.00 0.00 54.79 54.18 1qml n ASP 258 Cb 0.23 1.42 -0.03 0.00 -0.64 0.00 0.00 41.12 42.10 1qml n ASP 258 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1qml s GLY 259 N -4.11 -0.21 0.07 0.44 0.00 -1.09 -4.27 107.32 98.15 1qml s GLY 259 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 44.72 44.61 1qml s GLY 259 CO 0.87 -0.13 0.00 -0.26 0.00 0.00 0.00 173.10 173.58 1qml s ILE 260 N -3.85 0.19 -0.04 0.90 -5.25 -1.12 -2.54 121.20 109.48 1qml s ILE 260 Ca 0.08 -1.80 0.07 0.00 -0.99 0.00 0.00 60.65 58.00 1qml s ILE 260 Cb -0.02 -1.63 -0.01 0.00 2.95 0.00 0.00 42.46 43.75 1qml s ILE 260 CO -0.03 -0.86 -0.25 -0.63 -1.79 0.00 0.00 174.94 171.37 1qml s ILE 261 N -3.95 2.05 -0.18 8.37 1.01 0.27 -0.90 121.20 127.88 1qml s ILE 261 Ca 0.11 -1.08 -0.00 0.00 0.00 0.00 0.00 60.65 59.67 1qml s ILE 261 Cb 0.08 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.83 1qml s ILE 261 CO -0.07 0.57 -0.16 -0.69 0.00 0.00 0.00 174.94 174.59 1qml s VAL 262 N -0.33 2.48 -0.15 2.92 1.01 -0.90 -1.60 120.40 123.83 1qml s VAL 262 Ca 0.01 -0.81 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 1qml s VAL 262 Cb -0.12 -2.06 0.06 0.00 0.00 0.00 0.00 36.38 34.26 1qml s VAL 262 CO 0.02 0.51 0.64 -0.75 0.00 0.00 0.00 175.10 175.52 1qml s LYS 263 N 1.16 0.87 0.00 2.72 2.20 0.16 -2.64 119.74 124.21 1qml s LYS 263 Ca 0.01 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 1qml s LYS 263 Cb -0.14 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 1qml s LYS 263 CO -0.07 -0.19 0.00 -2.30 -0.36 0.00 0.00 175.35 172.43 1qml n PRO 264 N 1.89 -1.28 0.00 4.03 -0.02 -1.26 -1.39 135.00 136.97 1qml n PRO 264 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1qml n PRO 264 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 1qml n PRO 264 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1qml n SER 265 N -2.69 0.00 -0.27 2.55 3.41 -1.05 -4.52 113.62 111.05 1qml n SER 265 Ca 0.00 0.00 0.29 0.00 -0.26 0.00 0.00 58.87 58.90 1qml n SER 265 Cb 0.00 -0.14 0.67 0.00 -0.26 0.00 0.00 64.21 64.47 1qml n SER 265 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1qml h THR 266 N 0.00 0.50 -0.01 6.66 2.02 -1.91 0.67 112.91 120.84 1qml h THR 266 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1qml h THR 266 Cb 0.00 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 1qml h THR 266 CO 0.00 0.02 -0.12 0.49 0.37 0.00 0.00 175.52 176.29 1qml n PHE 267 N -4.34 0.00 -2.10 3.16 3.01 -1.26 -3.96 117.46 111.97 1qml n PHE 267 Ca 0.23 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.70 1qml n PHE 267 Cb 1.03 -0.09 0.10 0.00 -0.01 0.00 0.00 39.48 40.52 1qml n PHE 267 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1qml n TYR 268 N -0.48 0.49 -0.12 1.38 4.02 0.22 -4.84 117.16 117.84 1qml n TYR 268 Ca 0.16 -1.31 0.14 0.00 -0.01 0.00 0.00 57.90 56.88 1qml n TYR 268 Cb 0.31 -0.22 0.52 0.00 -0.02 0.00 0.00 39.34 39.93 1qml n TYR 268 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1qml h LEU 269 N 1.32 0.35 -0.34 7.72 3.38 -1.44 -0.11 115.31 126.18 1qml h LEU 269 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1qml h LEU 269 Cb 1.41 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 1qml h LEU 269 CO 0.15 0.19 0.22 -2.24 0.09 0.00 0.00 178.44 176.85 1qml h ASP 270 N 0.38 0.40 -0.71 -0.43 2.03 -1.88 0.30 116.42 116.50 1qml h ASP 270 Ca 0.32 -0.03 -0.02 0.00 -0.73 0.00 0.00 57.03 56.56 1qml h ASP 270 Cb 0.73 -0.10 -0.03 0.00 -0.83 0.00 0.00 39.33 39.10 1qml h ASP 270 CO -0.09 0.31 0.35 0.40 -1.03 0.00 0.00 179.24 179.18 1qml h ILE 271 N 0.45 1.23 -0.12 4.15 1.08 -1.47 0.20 117.51 123.04 1qml h ILE 271 Ca 0.12 -0.65 -0.01 0.00 -0.39 0.00 0.00 64.86 63.94 1qml h ILE 271 Cb -0.02 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.06 1qml h ILE 271 CO -0.03 0.27 0.03 -0.03 -0.69 0.00 0.00 178.15 177.71 1qml h MET 272 N 1.00 0.16 -0.29 2.37 4.05 -0.44 0.13 114.93 121.90 1qml h MET 272 Ca 0.25 -0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.55 1qml h MET 272 Cb 0.11 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 1qml h MET 272 CO -0.03 0.15 -0.23 -0.09 0.23 0.00 0.00 176.91 176.93 1qml h ARG 273 N 0.16 0.68 -0.65 0.39 1.12 0.10 -2.36 114.38 113.81 1qml h ARG 273 Ca 0.04 -0.33 -0.06 0.00 -1.11 0.00 0.00 59.98 58.51 1qml h ARG 273 Cb 0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 29.99 1qml h ARG 273 CO -0.00 0.94 0.16 -0.44 -3.11 0.00 0.00 179.97 177.51 1qml h ASP 274 N 0.42 0.97 -0.24 -3.80 3.32 0.12 -2.78 116.42 114.43 1qml h ASP 274 Ca 0.05 -0.20 0.06 0.00 0.02 0.00 0.00 57.03 56.97 1qml h ASP 274 Cb 0.79 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 1qml h ASP 274 CO 0.06 0.94 -0.19 0.00 -1.72 0.00 0.00 179.24 178.33 1qml h ALA 275 N 1.18 -0.03 -0.47 3.45 0.00 -0.66 0.58 119.26 123.31 1qml h ALA 275 Ca 0.21 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1qml h ALA 275 Cb 0.35 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1qml h ALA 275 CO 0.00 -0.60 0.27 0.66 0.00 0.00 0.00 179.25 179.57 1qml h SER 276 N -0.18 0.42 0.53 0.00 4.64 -1.20 0.40 113.55 118.15 1qml h SER 276 Ca 0.14 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.44 1qml h SER 276 Cb 0.39 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1qml h SER 276 CO -0.35 0.30 -0.25 -0.33 -0.87 0.00 0.00 176.83 175.33 1qml h GLU 277 N 0.53 -0.68 -0.00 4.77 4.39 -1.14 -0.91 114.58 121.54 1qml h GLU 277 Ca 0.19 0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.96 1qml h GLU 277 Cb 0.05 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.80 1qml h GLU 277 CO -0.10 -0.45 -0.54 0.82 -1.16 0.00 0.00 179.01 177.58 1qml h ILE 278 N -0.77 0.00 -1.03 3.13 2.04 -0.86 -2.73 117.51 117.28 1qml h ILE 278 Ca -0.07 0.00 -0.55 0.00 1.00 0.00 0.00 64.86 65.24 1qml h ILE 278 Cb 0.54 0.00 -0.21 0.00 -0.74 0.00 0.00 36.82 36.41 1qml h ILE 278 CO 0.12 0.00 0.66 0.00 0.00 0.00 0.00 178.15 178.93 1qml h LYS 280 N 2.24 0.25 -0.16 0.00 2.10 -0.83 -1.26 116.57 118.90 1qml h LYS 280 Ca 0.46 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 1qml h LYS 280 Cb 0.68 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 1qml h LYS 280 CO 1.15 0.17 0.00 -0.25 -2.00 0.00 0.00 179.45 178.52 1qml n ASP 281 N -5.16 0.89 -4.33 7.07 8.00 -1.26 -4.79 116.55 116.98 1qml n ASP 281 Ca 0.12 -1.99 -0.33 0.00 0.71 0.00 0.00 54.79 53.30 1qml n ASP 281 Cb 0.41 -0.11 -0.14 0.00 -0.02 0.00 0.00 41.12 41.26 1qml n ASP 281 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qml s LEU 282 N -1.02 2.68 -0.12 0.64 1.02 -0.48 -5.06 118.68 116.35 1qml s LEU 282 Ca 0.12 -0.38 -0.37 0.00 0.02 0.00 0.00 54.13 53.52 1qml s LEU 282 Cb 0.06 -1.62 -0.14 0.00 0.02 0.00 0.00 46.19 44.51 1qml s LEU 282 CO 0.08 0.11 1.71 -2.65 0.02 0.00 0.00 176.35 175.62 1qml n PRO 283 N 3.93 1.59 -3.62 1.29 -0.02 -1.26 -4.78 135.00 132.13 1qml n PRO 283 Ca -0.18 0.58 -0.37 0.00 -2.02 0.00 0.00 63.50 61.50 1qml n PRO 283 Cb 0.52 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 1qml n PRO 283 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1qml s ILE 284 N 2.98 5.17 -0.02 4.25 1.01 -1.26 -2.79 121.20 130.54 1qml s ILE 284 Ca 0.92 0.60 0.07 0.00 0.00 0.00 0.00 60.65 62.24 1qml s ILE 284 Cb -0.89 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 37.95 1qml s ILE 284 CO 0.55 0.55 -0.23 0.00 0.00 0.00 0.00 174.94 175.81 1qml s ALA 286 N -0.50 3.82 -0.21 0.00 0.00 -0.81 -2.12 121.76 121.95 1qml s ALA 286 Ca 0.08 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.40 1qml s ALA 286 Cb -0.09 -1.93 0.04 0.00 0.00 0.00 0.00 23.12 21.14 1qml s ALA 286 CO -0.01 0.60 -0.15 -0.47 0.00 0.00 0.00 175.76 175.74 1qml s TYR 287 N -0.96 2.81 -1.16 0.00 6.14 -1.08 -0.19 117.35 122.91 1qml s TYR 287 Ca 0.15 -1.82 -0.16 0.00 0.64 0.00 0.00 57.07 55.87 1qml s TYR 287 Cb -0.12 -1.84 0.14 0.00 0.42 0.00 0.00 41.96 40.56 1qml s TYR 287 CO 0.04 -0.81 1.43 -1.58 0.64 0.00 0.00 175.55 175.27 1qml s HIS 288 N 1.27 3.23 0.47 4.97 5.65 -0.53 -2.52 115.29 127.83 1qml s HIS 288 Ca -0.01 -1.81 -0.22 0.00 0.25 0.00 0.00 55.06 53.27 1qml s HIS 288 Cb -0.16 -4.41 -0.10 0.00 -1.18 0.00 0.00 32.58 26.73 1qml s HIS 288 CO -0.09 -1.53 0.84 1.33 -0.65 0.00 0.00 174.74 174.64 1qml n VAL 289 N 5.27 2.48 -0.33 0.89 0.24 -1.26 -4.56 118.33 121.05 1qml n VAL 289 Ca 0.36 -0.50 0.21 0.00 -2.04 0.00 0.00 64.34 62.37 1qml n VAL 289 Cb 0.45 -0.96 0.41 0.00 -1.47 0.00 0.00 33.84 32.27 1qml n VAL 289 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1qml h SER 290 N 1.05 -0.03 0.10 -1.34 4.64 -1.92 0.17 113.55 116.22 1qml h SER 290 Ca -0.44 0.25 0.01 0.00 -0.47 0.00 0.00 61.79 61.14 1qml h SER 290 Cb 1.36 0.34 -0.04 0.00 -0.31 0.00 0.00 62.40 63.76 1qml h SER 290 CO 0.53 -0.33 -0.42 1.23 -0.87 0.00 0.00 176.83 176.98 1qml h GLY 291 N 0.07 -1.18 -0.21 -0.77 0.00 -1.48 0.65 103.07 100.15 1qml h GLY 291 Ca 0.69 0.62 0.10 0.00 0.00 0.00 0.00 47.33 48.75 1qml h GLY 291 CO -0.79 -0.31 -0.22 0.83 0.00 0.00 0.00 176.54 176.04 1qml h GLU 292 N -0.60 -0.10 0.01 4.80 5.08 -0.87 0.13 114.58 123.04 1qml h GLU 292 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1qml h GLU 292 Cb 0.60 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1qml h GLU 292 CO -0.23 -0.06 -0.15 -0.92 -1.00 0.00 0.00 179.01 176.65 1qml h TYR 293 N -0.10 -0.42 0.00 4.33 3.20 -0.37 0.82 116.97 124.42 1qml h TYR 293 Ca 0.24 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1qml h TYR 293 Cb 0.48 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1qml h TYR 293 CO -0.52 -0.16 0.00 0.00 -1.64 0.00 0.00 178.16 175.84 1qml n ALA 294 N -2.61 1.23 0.10 1.82 0.00 0.22 -1.14 120.51 120.14 1qml n ALA 294 Ca -0.02 0.17 -0.20 0.00 0.00 0.00 0.00 53.44 53.39 1qml n ALA 294 Cb 0.11 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.09 1qml n ALA 294 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1qml h MET 295 N 0.00 0.48 -0.21 0.00 1.85 0.60 -2.44 114.93 115.21 1qml h MET 295 Ca 0.00 -0.69 -0.08 0.00 -0.61 0.00 0.00 59.70 58.32 1qml h MET 295 Cb 0.11 0.24 -0.00 0.00 0.43 0.00 0.00 31.60 32.38 1qml h MET 295 CO 0.00 1.31 -0.17 -0.07 -0.40 0.00 0.00 176.91 177.58 1qml h LEU 296 N 0.19 0.52 0.31 3.39 3.38 0.67 -0.98 115.31 122.80 1qml h LEU 296 Ca -0.17 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.33 1qml h LEU 296 Cb 1.92 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1qml h LEU 296 CO 0.22 0.86 -0.15 0.45 0.09 0.00 0.00 178.44 179.92 1qml h HIS 297 N 0.18 -0.39 -0.90 1.13 3.86 -1.54 0.18 115.15 117.68 1qml h HIS 297 Ca 0.04 -0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.44 1qml h HIS 297 Cb 0.70 0.13 -0.12 0.00 1.06 0.00 0.00 27.41 29.18 1qml h HIS 297 CO 0.07 -0.21 0.43 0.00 0.86 0.00 0.00 177.93 179.08 1qml h ALA 298 N 0.21 1.44 -0.05 2.45 0.00 -1.46 0.28 119.26 122.14 1qml h ALA 298 Ca -0.04 0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1qml h ALA 298 Cb 0.35 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1qml h ALA 298 CO 0.07 -0.27 -0.66 0.00 0.00 0.00 0.00 179.25 178.40 1qml h ALA 299 N 1.67 0.81 -0.17 0.00 0.00 -0.67 -3.15 119.26 117.75 1qml h ALA 299 Ca 0.55 -0.58 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1qml h ALA 299 Cb 0.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1qml h ALA 299 CO -0.48 0.77 -0.67 0.00 0.00 0.00 0.00 179.25 178.87 1qml h ALA 300 N 1.18 0.48 -0.34 0.00 0.00 0.25 -1.12 119.26 119.71 1qml h ALA 300 Ca -0.01 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.34 1qml h ALA 300 Cb 1.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1qml h ALA 300 CO 0.10 0.70 0.22 1.05 0.00 0.00 0.00 179.25 181.32 1qml h GLU 301 N 0.49 0.44 0.00 0.00 4.11 -0.75 -0.21 114.58 118.66 1qml h GLU 301 Ca -0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1qml h GLU 301 Cb 1.27 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1qml h GLU 301 CO 0.13 0.29 0.00 1.17 0.07 0.00 0.00 179.01 180.67 1qml n LYS 302 N -4.86 0.02 -0.89 1.06 4.81 -1.20 -4.84 118.16 112.26 1qml n LYS 302 Ca -0.01 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 1qml n LYS 302 Cb 0.03 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 33.53 1qml n LYS 302 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qml n GLY 303 N -0.22 0.54 0.01 3.14 0.00 -0.09 -4.93 105.19 103.64 1qml n GLY 303 Ca 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.91 1qml n GLY 303 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qml n VAL 304 N -2.89 1.41 -3.61 1.61 0.31 -0.44 -4.65 118.33 110.08 1qml n VAL 304 Ca 0.00 0.52 -0.02 0.00 -0.01 0.00 0.00 64.34 64.83 1qml n VAL 304 Cb 0.00 -1.52 -0.01 0.00 -0.91 0.00 0.00 33.84 31.40 1qml n VAL 304 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1qml s VAL 305 N -2.78 0.00 -0.36 2.52 -7.23 -1.25 -5.02 120.40 106.28 1qml s VAL 305 Ca -0.00 -0.09 -0.13 0.00 -1.81 0.00 0.00 61.98 59.95 1qml s VAL 305 Cb 0.00 -1.42 0.00 0.00 0.56 0.00 0.00 36.38 35.52 1qml s VAL 305 CO 0.01 0.00 0.24 -0.62 -0.31 0.00 0.00 175.10 174.42 1qml s ASP 306 N -2.51 5.96 0.00 4.85 2.15 -1.26 -4.29 116.67 121.57 1qml s ASP 306 Ca 0.12 -0.65 -0.00 0.00 0.43 0.00 0.00 52.55 52.44 1qml s ASP 306 Cb 0.02 -2.11 -0.00 0.00 -0.30 0.00 0.00 42.92 40.52 1qml s ASP 306 CO -0.04 -0.31 0.33 -0.11 -0.17 0.00 0.00 175.17 174.87 1qml n LEU 307 N 5.09 -0.02 -0.38 -1.34 0.00 -1.26 -0.36 117.00 118.74 1qml n LEU 307 Ca -0.12 0.33 0.29 0.00 0.00 0.00 0.00 56.01 56.51 1qml n LEU 307 Cb 0.48 -0.16 0.56 0.00 0.00 0.00 0.00 43.42 44.31 1qml n LEU 307 CO 0.37 -0.17 1.19 0.50 0.00 0.00 0.00 177.39 179.28 1qml h LYS 308 N 0.00 0.23 0.32 1.96 3.64 -1.98 0.32 116.57 121.06 1qml h LYS 308 Ca 0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1qml h LYS 308 Cb 0.01 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1qml h LYS 308 CO -0.02 0.15 -0.16 1.15 -2.27 0.00 0.00 179.45 178.31 1qml h THR 309 N 0.23 0.54 0.00 1.00 2.02 -1.12 -3.22 112.91 112.35 1qml h THR 309 Ca 0.74 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1qml h THR 309 Cb 2.02 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 69.25 1qml h THR 309 CO -0.46 0.11 -0.24 -0.29 0.37 0.00 0.00 175.52 175.02 1qml h ILE 310 N -0.92 0.86 -0.02 3.11 6.09 -1.03 -2.77 117.51 122.84 1qml h ILE 310 Ca -0.04 -0.93 -0.00 0.00 -1.37 0.00 0.00 64.86 62.51 1qml h ILE 310 Cb 0.52 1.55 -0.00 0.00 0.47 0.00 0.00 36.82 39.36 1qml h ILE 310 CO 0.07 0.23 -0.00 0.00 -3.07 0.00 0.00 178.15 175.39 1qml h ALA 311 N 1.76 0.02 -0.04 0.18 0.00 -0.46 -2.26 119.26 118.47 1qml h ALA 311 Ca -0.00 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 1qml h ALA 311 Cb 0.53 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1qml h ALA 311 CO 0.03 -0.31 -0.80 0.74 0.00 0.00 0.00 179.25 178.91 1qml h PHE 312 N -0.28 0.49 -0.16 0.00 -1.00 -1.56 -1.95 116.94 112.48 1qml h PHE 312 Ca 0.00 -0.24 -0.00 0.00 2.81 0.00 0.00 57.97 60.55 1qml h PHE 312 Cb 0.33 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1qml h PHE 312 CO 0.03 1.01 0.09 1.49 -1.61 0.00 0.00 178.31 179.33 1qml h GLU 313 N 0.22 0.22 -0.34 1.51 4.81 -1.52 0.51 114.58 120.00 1qml h GLU 313 Ca -0.04 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1qml h GLU 313 Cb 1.40 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 1qml h GLU 313 CO 0.13 0.23 0.15 0.66 -0.73 0.00 0.00 179.01 179.45 1qml h SER 314 N 0.16 0.42 0.99 1.04 4.64 -1.44 -1.19 113.55 118.18 1qml h SER 314 Ca 0.06 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.17 1qml h SER 314 Cb 0.07 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 1qml h SER 314 CO -0.01 0.38 -1.07 0.45 -0.87 0.00 0.00 176.83 175.71 1qml h HIS 315 N 0.48 0.00 0.00 4.77 3.86 -0.93 -3.13 115.15 120.19 1qml h HIS 315 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1qml h HIS 315 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1qml h HIS 315 CO 0.00 0.71 -0.16 1.04 0.86 0.00 0.00 177.93 180.39 1qml n GLN 316 N -3.12 0.05 -0.04 2.45 1.13 0.18 -1.98 117.38 116.04 1qml n GLN 316 Ca -0.05 0.03 -0.08 0.00 -1.94 0.00 0.00 57.00 54.96 1qml n GLN 316 Cb 0.86 -1.54 0.09 0.00 0.11 0.00 0.00 30.24 29.76 1qml n GLN 316 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1qml h GLY 317 N 4.92 0.71 0.73 1.08 0.00 -1.18 0.47 103.07 109.80 1qml h GLY 317 Ca 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.63 1qml h GLY 317 CO 0.00 0.61 -0.27 0.74 0.00 0.00 0.00 176.54 177.62 1qml h PHE 318 N 0.55 -0.70 -0.75 5.60 0.04 -1.40 -1.39 116.94 118.89 1qml h PHE 318 Ca 0.06 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.87 1qml h PHE 318 Cb 0.86 0.23 -0.05 0.00 2.20 0.00 0.00 35.95 39.19 1qml h PHE 318 CO 0.04 -0.37 0.49 -0.07 -0.60 0.00 0.00 178.31 177.80 1qml h LEU 319 N -1.04 0.72 0.15 1.54 3.38 -1.39 -0.86 115.31 117.81 1qml h LEU 319 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1qml h LEU 319 Cb 0.64 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1qml h LEU 319 CO 0.13 0.47 -0.07 -0.09 0.09 0.00 0.00 178.44 178.97 1qml h ARG 320 N 0.82 -0.19 0.00 1.13 2.43 -0.07 -3.23 114.38 115.28 1qml h ARG 320 Ca 0.31 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1qml h ARG 320 Cb 0.19 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1qml h ARG 320 CO -0.10 0.23 0.38 0.00 -1.51 0.00 0.00 179.97 178.97 1qml h ALA 321 N -0.41 1.36 0.00 2.80 0.00 -1.12 -3.45 119.26 118.45 1qml h ALA 321 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1qml h ALA 321 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1qml h ALA 321 CO 0.03 -0.36 0.00 0.41 0.00 0.00 0.00 179.25 179.33 1qml n GLY 322 N -1.26 1.03 3.71 0.00 0.00 -0.40 -3.42 105.19 104.85 1qml n GLY 322 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1qml n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qml s ALA 323 N 0.00 3.24 -1.65 4.61 0.00 -0.77 -4.67 121.76 122.52 1qml s ALA 323 Ca 0.00 0.40 0.19 0.00 0.00 0.00 0.00 51.96 52.55 1qml s ALA 323 Cb 0.00 -3.24 0.53 0.00 0.00 0.00 0.00 23.12 20.42 1qml s ALA 323 CO 0.00 -0.23 1.44 0.54 0.00 0.00 0.00 175.76 177.51 1qml n ARG 324 N 3.98 2.76 -3.81 0.00 1.74 -0.86 -3.79 116.66 116.69 1qml n ARG 324 Ca 0.04 -2.46 -0.09 0.00 -0.77 0.00 0.00 57.85 54.57 1qml n ARG 324 Cb 0.51 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 30.41 1qml n ARG 324 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1qml s LEU 325 N -1.01 1.19 -0.21 0.55 1.43 -1.17 -4.85 118.68 114.60 1qml s LEU 325 Ca 0.41 -0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 52.76 1qml s LEU 325 Cb 0.21 1.21 0.06 0.00 0.03 0.00 0.00 46.19 47.70 1qml s LEU 325 CO 0.28 -0.75 0.56 -0.63 0.23 0.00 0.00 176.35 176.03 1qml s ILE 326 N -3.79 -0.00 -0.49 -0.59 1.01 -0.58 -1.92 121.20 114.83 1qml s ILE 326 Ca 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 1qml s ILE 326 Cb 0.04 -0.78 0.13 0.00 0.01 0.00 0.00 42.46 41.86 1qml s ILE 326 CO -0.11 0.00 0.31 -0.63 0.00 0.00 0.00 174.94 174.51 1qml s ILE 327 N 0.54 3.63 0.05 2.92 1.01 0.73 0.01 121.20 130.08 1qml s ILE 327 Ca -0.02 -2.27 -0.00 0.00 0.00 0.00 0.00 60.65 58.36 1qml s ILE 327 Cb -0.04 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1qml s ILE 327 CO -0.03 -0.77 -0.04 0.28 0.00 0.00 0.00 174.94 174.39 1qml s THR 328 N 0.83 0.28 -1.36 2.92 -1.32 -1.14 -1.45 115.64 114.39 1qml s THR 328 Ca 0.10 -1.70 0.28 0.00 -1.21 0.00 0.00 61.69 59.17 1qml s THR 328 Cb -0.22 -1.36 0.31 0.00 -1.51 0.00 0.00 72.50 69.71 1qml s THR 328 CO -0.03 -0.90 1.78 -1.22 -2.21 0.00 0.00 174.62 172.03 1qml n TYR 329 N 0.31 0.00 0.57 9.09 4.01 -1.26 -3.20 117.16 126.68 1qml n TYR 329 Ca -0.15 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.63 1qml n TYR 329 Cb 0.60 -0.27 0.16 0.00 -0.31 0.00 0.00 39.34 39.52 1qml n TYR 329 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1qml n LEU 330 N -1.19 2.41 -0.14 7.72 4.77 -1.26 -4.10 117.00 125.22 1qml n LEU 330 Ca 0.11 -1.22 -0.08 0.00 -0.03 0.00 0.00 56.01 54.79 1qml n LEU 330 Cb 0.31 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1qml n LEU 330 CO 0.27 0.43 1.01 0.00 -1.33 0.00 0.00 177.39 177.76 1qml h ALA 331 N 3.26 0.54 -0.99 -1.18 0.00 -1.93 -0.16 119.26 118.81 1qml h ALA 331 Ca 0.00 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.02 1qml h ALA 331 Cb 0.79 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 1qml h ALA 331 CO 0.11 0.05 0.61 -1.00 0.00 0.00 0.00 179.25 179.02 1qml h PRO 332 N 0.56 0.69 0.33 0.00 0.13 -1.88 -2.94 132.00 128.88 1qml h PRO 332 Ca 0.15 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 1qml h PRO 332 Cb 0.03 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.01 1qml h PRO 332 CO -0.03 0.46 -0.16 0.93 -0.23 0.00 0.00 178.00 178.98 1qml h GLU 333 N 0.72 -0.42 -0.93 0.86 3.07 -1.72 -3.36 114.58 112.79 1qml h GLU 333 Ca 0.55 0.03 0.08 0.00 -0.50 0.00 0.00 59.36 59.51 1qml h GLU 333 Cb 0.91 0.10 -0.07 0.00 -0.84 0.00 0.00 28.75 28.85 1qml h GLU 333 CO -0.32 -0.15 0.59 0.74 -1.40 0.00 0.00 179.01 178.46 1qml h PHE 334 N -1.03 1.08 -0.12 4.33 0.04 -0.90 -1.17 116.94 119.17 1qml h PHE 334 Ca -0.04 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.79 1qml h PHE 334 Cb 0.46 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 1qml h PHE 334 CO 0.03 0.52 0.13 -0.07 -0.60 0.00 0.00 178.31 178.32 1qml h LEU 335 N 1.03 0.00 0.11 1.54 3.38 -1.68 0.35 115.31 120.04 1qml h LEU 335 Ca 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 1qml h LEU 335 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1qml h LEU 335 CO -0.20 0.00 -0.05 0.44 0.09 0.00 0.00 178.44 178.72 1qml h ASP 336 N 0.00 -0.12 -0.68 -0.43 3.32 -1.36 -3.37 116.42 113.77 1qml h ASP 336 Ca 0.06 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.18 1qml h ASP 336 Cb 0.31 0.03 -0.10 0.00 0.22 0.00 0.00 39.33 39.79 1qml h ASP 336 CO -0.00 0.01 -0.56 -0.50 -1.72 0.00 0.00 179.24 176.47 1qml h TRP 337 N -0.35 -1.76 0.00 4.55 6.55 -1.10 -0.93 115.95 122.90 1qml h TRP 337 Ca -0.01 0.10 0.00 0.00 0.95 0.00 0.00 58.89 59.93 1qml h TRP 337 Cb 0.11 0.86 0.00 0.00 -0.86 0.00 0.00 29.16 29.27 1qml h TRP 337 CO 0.05 -0.42 0.10 1.28 -1.05 0.00 0.00 178.44 178.40 1qml n LEU 338 N -5.25 0.00 0.06 -4.49 4.77 0.12 -0.06 117.00 112.15 1qml n LEU 338 Ca -0.01 0.23 -0.04 0.00 -0.03 0.00 0.00 56.01 56.17 1qml n LEU 338 Cb 0.29 -0.23 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 1qml n LEU 338 CO -0.07 -0.23 0.06 0.44 -1.33 0.00 0.00 177.39 176.26 1qml h ASP 339 N 0.00 0.00 -4.03 -1.43 3.32 -1.32 -3.47 116.42 109.49 1qml h ASP 339 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 1qml h ASP 339 Cb 0.20 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.79 1qml h ASP 339 CO 0.00 0.80 0.42 -1.61 -1.72 0.00 0.00 179.24 177.13 1qml s GLU 340 N -2.79 3.83 0.00 3.56 2.02 0.91 -5.08 118.70 121.15 1qml s GLU 340 Ca 0.00 1.52 0.00 0.00 0.02 0.00 0.00 54.97 56.52 1qml s GLU 340 Cb 0.09 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 32.05 1qml s GLU 340 CO 0.80 -0.43 0.00 -1.91 0.02 0.00 0.00 175.26 173.74 1qml n GLU 341 N -0.66 0.47 0.00 1.61 4.07 -1.26 -5.07 120.64 119.80 1qml n GLU 341 Ca 0.08 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 57.24 1qml n GLU 341 Cb 0.51 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 31.94 1qml n GLU 341 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34