#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mqe s GLU 7 N 0.00 0.70 -0.50 -1.08 2.12 -1.26 -4.88 118.70 113.79 1mqe s GLU 7 Ca 0.00 0.83 -0.22 0.00 0.36 0.00 0.00 54.97 55.93 1mqe s GLU 7 Cb 0.00 0.34 0.04 0.00 0.26 0.00 0.00 34.13 34.77 1mqe s GLU 7 CO 0.00 -0.08 0.79 0.99 -0.54 0.00 0.00 175.26 176.41 1mqe s THR 8 N 0.31 4.63 0.02 -1.70 2.01 -1.26 0.89 115.64 120.54 1mqe s THR 8 Ca -0.00 0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.82 1mqe s THR 8 Cb -0.04 -4.38 -0.16 0.00 0.01 0.00 0.00 72.50 67.93 1mqe s THR 8 CO 0.01 -0.88 1.17 0.40 -0.69 0.00 0.00 174.62 174.63 1mqe h ILE 9 N 5.95 0.07 -3.14 1.82 1.08 0.12 -3.47 117.51 119.94 1mqe h ILE 9 Ca -0.26 -0.29 -0.11 0.00 -0.39 0.00 0.00 64.86 63.81 1mqe h ILE 9 Cb 1.08 0.10 -0.19 0.00 -3.07 0.00 0.00 36.82 34.74 1mqe h ILE 9 CO 1.00 0.01 -0.28 -0.94 -0.69 0.00 0.00 178.15 177.25 1mqe s SER 10 N -4.47 -0.16 -0.00 1.72 1.04 -1.23 -4.96 113.70 105.64 1mqe s SER 10 Ca -0.15 -0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.29 1mqe s SER 10 Cb 0.02 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 1mqe s SER 10 CO 0.45 -0.49 -0.09 -0.94 0.98 0.00 0.00 173.24 173.15 1mqe s SER 11 N -1.56 1.05 -0.05 7.02 1.04 -1.26 0.06 113.70 120.00 1mqe s SER 11 Ca -0.11 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.16 1mqe s SER 11 Cb -0.04 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 65.98 1mqe s SER 11 CO 0.02 0.10 -0.09 -0.70 0.98 0.00 0.00 173.24 173.54 1mqe s GLU 12 N -0.28 1.24 -0.20 4.02 2.12 0.14 -4.94 118.70 120.80 1mqe s GLU 12 Ca 0.03 -0.30 -0.29 0.00 0.36 0.00 0.00 54.97 54.76 1mqe s GLU 12 Cb -0.04 -1.10 0.00 0.00 0.26 0.00 0.00 34.13 33.25 1mqe s GLU 12 CO -0.00 0.03 1.05 0.99 -0.54 0.00 0.00 175.26 176.79 1mqe s THR 13 N 0.56 4.67 -0.13 -1.70 2.01 -1.26 -0.21 115.64 119.57 1mqe s THR 13 Ca -0.10 2.00 0.12 0.00 0.31 0.00 0.00 61.69 64.02 1mqe s THR 13 Cb -0.13 -4.29 -0.24 0.00 0.01 0.00 0.00 72.50 67.86 1mqe s THR 13 CO 0.02 -0.14 0.31 0.18 -0.69 0.00 0.00 174.62 174.30 1mqe n LEU 14 N 6.08 0.83 -3.59 4.42 4.32 0.38 -4.97 117.00 124.47 1mqe n LEU 14 Ca 0.12 0.18 -0.14 0.00 -0.02 0.00 0.00 56.01 56.14 1mqe n LEU 14 Cb 0.46 0.11 -0.07 0.00 -1.62 0.00 0.00 43.42 42.31 1mqe n LEU 14 CO 0.52 0.52 0.52 -2.28 -1.22 0.00 0.00 177.39 175.46 1mqe s HIS 15 N -2.54 -0.65 -0.14 -1.77 5.65 -0.95 -4.96 115.29 109.94 1mqe s HIS 15 Ca -0.11 1.41 0.01 0.00 0.25 0.00 0.00 55.06 56.62 1mqe s HIS 15 Cb 0.07 0.35 0.02 0.00 -1.18 0.00 0.00 32.58 31.84 1mqe s HIS 15 CO 0.80 -0.41 -0.15 0.99 -0.65 0.00 0.00 174.74 175.32 1mqe s THR 16 N -0.26 1.56 0.00 0.89 2.01 -1.26 0.75 115.64 119.32 1mqe s THR 16 Ca -0.03 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.33 1mqe s THR 16 Cb -0.03 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 71.02 1mqe s THR 16 CO 0.02 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 1mqe n GLY 17 N 4.61 6.39 0.11 4.40 0.00 0.69 -4.99 105.19 116.40 1mqe n GLY 17 Ca -0.17 -2.01 -0.12 0.00 0.00 0.00 0.00 46.02 43.71 1mqe n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mqe h ALA 18 N 0.58 -0.15 -0.01 4.61 0.00 -2.00 -3.38 119.26 118.91 1mqe h ALA 18 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1mqe h ALA 18 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1mqe h ALA 18 CO 0.00 -0.33 -0.10 0.44 0.00 0.00 0.00 179.25 179.26 1mqe n ILE 19 N -4.93 0.00 -3.65 0.00 -5.35 -1.26 -5.05 119.36 99.13 1mqe n ILE 19 Ca -0.08 -0.45 -0.10 0.00 -0.27 0.00 0.00 62.75 61.85 1mqe n ILE 19 Cb 0.26 1.16 -0.02 0.00 -1.74 0.00 0.00 39.64 39.29 1mqe n ILE 19 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1mqe s PHE 20 N -1.08 -0.32 0.06 4.28 -0.12 -1.26 -4.08 117.98 115.46 1mqe s PHE 20 Ca 0.10 -0.01 0.07 0.00 -0.05 0.00 0.00 56.93 57.03 1mqe s PHE 20 Cb 0.08 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 43.01 1mqe s PHE 20 CO 0.18 -1.00 -0.18 0.00 -0.05 0.00 0.00 175.22 174.18 1mqe s ALA 21 N -3.84 1.53 -0.19 1.99 0.00 -0.90 -0.22 121.76 120.13 1mqe s ALA 21 Ca 0.06 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.91 1mqe s ALA 21 Cb -0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1mqe s ALA 21 CO -0.04 0.31 0.05 -1.17 0.00 0.00 0.00 175.76 174.90 1mqe s LEU 22 N -1.47 3.62 0.03 0.00 2.96 0.23 -0.23 118.68 123.81 1mqe s LEU 22 Ca 0.04 -0.03 0.05 0.00 -0.22 0.00 0.00 54.13 53.97 1mqe s LEU 22 Cb -0.09 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 1mqe s LEU 22 CO 0.02 0.12 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.44 1mqe s ARG 23 N 0.66 0.96 -0.14 1.98 3.52 0.30 -0.47 118.95 125.76 1mqe s ARG 23 Ca 0.02 -0.72 0.02 0.00 -0.13 0.00 0.00 55.73 54.93 1mqe s ARG 23 Cb -0.13 -0.96 0.01 0.00 -1.56 0.00 0.00 34.95 32.30 1mqe s ARG 23 CO 0.02 0.24 -0.21 0.50 -0.81 0.00 0.00 175.30 175.04 1mqe s ARG 24 N -1.02 3.05 0.28 5.12 3.52 0.71 0.26 118.95 130.88 1mqe s ARG 24 Ca 0.02 -0.84 0.09 0.00 -0.13 0.00 0.00 55.73 54.87 1mqe s ARG 24 Cb -0.07 -2.45 -0.04 0.00 -1.56 0.00 0.00 34.95 30.82 1mqe s ARG 24 CO 0.01 0.01 0.02 -0.51 -0.81 0.00 0.00 175.30 174.02 1mqe s ASP 25 N 0.77 4.57 -0.29 -2.12 1.01 -0.15 0.23 116.67 120.70 1mqe s ASP 25 Ca -0.08 -0.67 -0.03 0.00 0.71 0.00 0.00 52.55 52.49 1mqe s ASP 25 Cb -0.16 -0.83 0.04 0.00 1.01 0.00 0.00 42.92 42.98 1mqe s ASP 25 CO -0.01 -0.05 0.01 -1.10 0.21 0.00 0.00 175.17 174.23 1mqe s GLN 26 N -3.70 2.62 0.08 8.23 -1.52 0.11 -1.04 119.66 124.43 1mqe s GLN 26 Ca 0.32 -1.15 0.02 0.00 -1.95 0.00 0.00 55.36 52.61 1mqe s GLN 26 Cb -0.06 -3.19 -0.04 0.00 -0.22 0.00 0.00 33.01 29.51 1mqe s GLN 26 CO 0.20 -0.56 0.16 0.08 -0.25 0.00 0.00 175.29 174.93 1mqe s VAL 27 N 1.31 4.99 0.00 1.09 1.01 0.62 0.16 120.40 129.57 1mqe s VAL 27 Ca -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1mqe s VAL 27 Cb -0.19 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1mqe s VAL 27 CO -0.01 0.10 0.00 -1.14 0.00 0.00 0.00 175.10 174.05 1mqe n ARG 28 N 0.25 0.00 -3.48 2.72 0.63 0.26 -1.64 116.66 115.40 1mqe n ARG 28 Ca -0.07 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.71 1mqe n ARG 28 Cb 0.52 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.31 1mqe n ARG 28 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1mqe s ILE 34 N 0.00 -0.41 0.28 5.15 1.01 -1.26 -4.84 121.20 121.12 1mqe s ILE 34 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.66 1mqe s ILE 34 Cb 0.00 -0.68 -0.06 0.00 0.01 0.00 0.00 42.46 41.73 1mqe s ILE 34 CO 0.00 -0.13 -0.03 0.68 0.00 0.00 0.00 174.94 175.46 1mqe s VAL 35 N 2.40 1.46 0.23 2.92 -7.23 -0.65 -5.13 120.40 114.41 1mqe s VAL 35 Ca 0.08 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 57.86 1mqe s VAL 35 Cb -0.15 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 34.20 1mqe s VAL 35 CO -0.13 -0.25 0.97 -0.89 -0.31 0.00 0.00 175.10 174.49 1mqe s THR 36 N -3.13 4.02 -0.24 5.32 2.01 -1.26 -0.28 115.64 122.09 1mqe s THR 36 Ca 0.31 2.00 -0.04 0.00 0.31 0.00 0.00 61.69 64.26 1mqe s THR 36 Cb 0.05 -4.27 0.08 0.00 0.01 0.00 0.00 72.50 68.37 1mqe s THR 36 CO 0.12 0.46 0.12 -0.13 -0.69 0.00 0.00 174.62 174.49 1mqe s ARG 37 N -1.09 0.14 -0.14 4.92 1.81 -0.21 -4.92 118.95 119.45 1mqe s ARG 37 Ca 0.42 -0.33 -0.21 0.00 -1.72 0.00 0.00 55.73 53.89 1mqe s ARG 37 Cb -0.27 -1.44 -0.03 0.00 -0.45 0.00 0.00 34.95 32.76 1mqe s ARG 37 CO 0.33 -0.87 0.64 -1.21 -0.68 0.00 0.00 175.30 173.51 1mqe s GLU 38 N 2.12 4.30 -0.07 3.54 2.02 -1.26 -0.97 118.70 128.38 1mqe s GLU 38 Ca 0.06 0.70 0.05 0.00 0.02 0.00 0.00 54.97 55.80 1mqe s GLU 38 Cb -0.16 -3.52 -0.01 0.00 0.10 0.00 0.00 34.13 30.55 1mqe s GLU 38 CO -0.25 -0.09 -0.24 0.08 0.02 0.00 0.00 175.26 174.77 1mqe s VAL 39 N 1.40 2.03 -0.41 2.63 1.01 0.14 -4.74 120.40 122.46 1mqe s VAL 39 Ca 0.32 -1.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 1mqe s VAL 39 Cb -0.16 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1mqe s VAL 39 CO 0.13 0.56 0.43 -0.69 0.00 0.00 0.00 175.10 175.53 1mqe s VAL 40 N 0.04 5.09 0.01 2.92 1.01 0.71 -0.54 120.40 129.64 1mqe s VAL 40 Ca -0.10 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1mqe s VAL 40 Cb -0.15 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1mqe s VAL 40 CO 0.06 -0.37 0.97 -1.61 0.00 0.00 0.00 175.10 174.14 1mqe s GLU 41 N 2.14 4.57 0.18 2.72 2.02 0.67 -1.69 118.70 129.31 1mqe s GLU 41 Ca 0.12 1.40 0.07 0.00 0.02 0.00 0.00 54.97 56.59 1mqe s GLU 41 Cb -0.17 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 1mqe s GLU 41 CO 0.13 -0.03 -0.14 -1.58 0.02 0.00 0.00 175.26 173.67 1mqe s HIS 42 N 0.93 1.61 0.25 1.61 2.46 -1.26 -2.12 115.29 118.78 1mqe s HIS 42 Ca 0.51 -0.59 0.00 0.00 0.47 0.00 0.00 55.06 55.45 1mqe s HIS 42 Cb -0.21 -0.77 0.32 0.00 -0.13 0.00 0.00 32.58 31.79 1mqe s HIS 42 CO 0.28 0.29 1.68 0.74 -2.47 0.00 0.00 174.74 175.25 1mqe h PHE 43 N 2.75 0.65 0.00 3.88 0.04 -1.89 -3.39 116.94 118.97 1mqe h PHE 43 Ca -0.38 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.24 1mqe h PHE 43 Cb 1.21 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1mqe h PHE 43 CO 0.70 0.78 0.00 0.41 -0.60 0.00 0.00 178.31 179.60 1mqe n GLY 44 N -0.29 1.42 3.50 -1.45 0.00 -1.26 -4.52 105.19 102.59 1mqe n GLY 44 Ca -0.00 -1.96 -0.14 0.00 0.00 0.00 0.00 46.02 43.91 1mqe n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mqe s ALA 45 N -2.21 0.66 0.01 4.61 0.00 -0.96 -1.01 121.76 122.86 1mqe s ALA 45 Ca 0.00 -1.45 -0.00 0.00 0.00 0.00 0.00 51.96 50.50 1mqe s ALA 45 Cb 0.00 1.14 -0.01 0.00 0.00 0.00 0.00 23.12 24.25 1mqe s ALA 45 CO 0.00 -0.80 -0.02 0.14 0.00 0.00 0.00 175.76 175.09 1mqe s VAL 46 N -3.13 0.08 0.20 0.00 -7.23 -0.76 -2.04 120.40 107.51 1mqe s VAL 46 Ca 0.30 -0.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.85 1mqe s VAL 46 Cb -0.00 -0.18 -0.05 0.00 0.56 0.00 0.00 36.38 36.71 1mqe s VAL 46 CO 0.19 -0.34 0.06 0.00 -0.31 0.00 0.00 175.10 174.69 1mqe s ALA 47 N -1.00 1.41 -0.02 1.32 0.00 -0.28 -1.88 121.76 121.31 1mqe s ALA 47 Ca -0.11 -1.69 0.01 0.00 0.00 0.00 0.00 51.96 50.17 1mqe s ALA 47 Cb -0.07 0.86 0.02 0.00 0.00 0.00 0.00 23.12 23.93 1mqe s ALA 47 CO -0.01 -0.42 -0.01 0.42 0.00 0.00 0.00 175.76 175.74 1mqe s ILE 48 N -3.79 0.23 -0.55 0.00 1.09 -0.63 -1.19 121.20 116.36 1mqe s ILE 48 Ca 0.31 -0.00 -0.10 0.00 -1.10 0.00 0.00 60.65 59.75 1mqe s ILE 48 Cb 0.07 -0.27 0.14 0.00 -1.06 0.00 0.00 42.46 41.34 1mqe s ILE 48 CO 0.08 0.12 0.43 -0.69 -0.10 0.00 0.00 174.94 174.79 1mqe s VAL 49 N 0.63 4.46 -0.64 2.92 1.01 0.76 -4.08 120.40 125.46 1mqe s VAL 49 Ca -0.06 -1.98 -0.19 0.00 0.00 0.00 0.00 61.98 59.74 1mqe s VAL 49 Cb -0.10 -3.90 0.11 0.00 0.00 0.00 0.00 36.38 32.50 1mqe s VAL 49 CO -0.01 -0.83 0.76 0.00 0.00 0.00 0.00 175.10 175.02 1mqe s ALA 50 N 1.06 3.43 -0.18 5.51 0.00 -1.26 -0.80 121.76 129.53 1mqe s ALA 50 Ca 0.08 -2.32 -0.19 0.00 0.00 0.00 0.00 51.96 49.54 1mqe s ALA 50 Cb -0.24 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.25 1mqe s ALA 50 CO -0.02 -2.43 0.52 1.41 0.00 0.00 0.00 175.76 175.24 1mqe s MET 51 N 2.62 4.23 0.17 0.00 1.75 -0.45 -3.86 119.30 123.77 1mqe s MET 51 Ca 0.14 0.45 -0.02 0.00 -1.25 0.00 0.00 55.69 55.00 1mqe s MET 51 Cb -0.21 -3.53 0.04 0.00 2.84 0.00 0.00 34.83 33.97 1mqe s MET 51 CO 0.04 -0.07 0.24 -0.40 -0.65 0.00 0.00 175.02 174.17 1mqe n ASP 52 N 4.51 0.08 0.00 1.11 5.68 0.04 -4.42 116.55 123.54 1mqe n ASP 52 Ca -0.05 -1.12 0.08 0.00 -0.50 0.00 0.00 54.79 53.20 1mqe n ASP 52 Cb 0.51 -0.17 0.40 0.00 -1.14 0.00 0.00 41.12 40.71 1mqe n ASP 52 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1mqe n ASP 53 N -3.12 0.00 -0.23 -1.12 9.92 -1.26 -2.85 116.55 117.90 1mqe n ASP 53 Ca 0.03 0.18 0.03 0.00 -0.53 0.00 0.00 54.79 54.50 1mqe n ASP 53 Cb 0.11 -0.35 0.07 0.00 -0.64 0.00 0.00 41.12 40.31 1mqe n ASP 53 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1mqe n ASN 54 N -1.35 2.38 0.00 -2.24 3.02 -1.26 -4.99 115.26 110.82 1mqe n ASN 54 Ca 0.07 -2.15 0.00 0.00 -0.03 0.00 0.00 54.58 52.46 1mqe n ASN 54 Cb 0.15 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1mqe n ASN 54 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mqe n GLY 55 N -0.31 0.60 3.75 7.41 0.00 -1.13 -4.94 105.19 110.57 1mqe n GLY 55 Ca 0.06 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 1mqe n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mqe s ASN 56 N -2.76 5.28 0.05 1.61 0.01 -1.26 -0.61 114.94 117.26 1mqe s ASN 56 Ca 0.00 -0.21 0.03 0.00 -0.71 0.00 0.00 52.86 51.97 1mqe s ASN 56 Cb 0.00 -1.31 -0.02 0.00 0.41 0.00 0.00 41.25 40.33 1mqe s ASN 56 CO 0.00 0.08 -0.09 0.27 -1.51 0.00 0.00 177.10 175.85 1mqe s ILE 57 N -1.72 0.69 0.04 0.60 -4.36 -0.40 -0.78 121.20 115.27 1mqe s ILE 57 Ca 0.30 -1.12 -0.18 0.00 -0.26 0.00 0.00 60.65 59.38 1mqe s ILE 57 Cb -0.10 -0.73 -0.06 0.00 1.25 0.00 0.00 42.46 42.82 1mqe s ILE 57 CO 0.22 -0.33 0.53 -2.16 0.24 0.00 0.00 174.94 173.44 1mqe s PRO 58 N -1.59 4.16 0.04 0.37 0.04 -1.25 -0.70 135.00 136.07 1mqe s PRO 58 Ca -0.08 0.65 0.04 0.00 0.04 0.00 0.00 61.00 61.66 1mqe s PRO 58 Cb -0.10 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.16 1mqe s PRO 58 CO 0.01 0.60 -0.12 -1.64 0.04 0.00 0.00 177.00 175.89 1mqe s MET 59 N -0.93 0.78 0.04 4.56 -1.94 0.88 -4.60 119.30 118.09 1mqe s MET 59 Ca 0.28 -0.75 0.02 0.00 -1.71 0.00 0.00 55.69 53.53 1mqe s MET 59 Cb -0.19 -0.74 -0.04 0.00 2.01 0.00 0.00 34.83 35.87 1mqe s MET 59 CO 0.17 0.17 0.05 0.14 -0.01 0.00 0.00 175.02 175.55 1mqe s VAL 60 N -0.99 4.41 -0.48 -6.03 -7.23 0.77 0.00 120.40 110.85 1mqe s VAL 60 Ca -0.01 -0.67 -0.09 0.00 -1.81 0.00 0.00 61.98 59.40 1mqe s VAL 60 Cb -0.08 -3.06 0.12 0.00 0.56 0.00 0.00 36.38 33.92 1mqe s VAL 60 CO 0.01 0.24 0.35 -0.47 -0.31 0.00 0.00 175.10 174.93 1mqe s TYR 61 N -1.25 3.44 -0.03 2.82 5.04 0.16 0.35 117.35 127.87 1mqe s TYR 61 Ca 0.25 -1.93 0.06 0.00 -2.44 0.00 0.00 57.07 53.01 1mqe s TYR 61 Cb -0.12 -3.49 -0.02 0.00 0.35 0.00 0.00 41.96 38.68 1mqe s TYR 61 CO 0.17 -0.99 -0.21 -1.14 -1.34 0.00 0.00 175.55 172.03 1mqe s GLN 62 N 1.28 2.28 0.15 4.97 0.74 -0.17 -4.35 119.66 124.56 1mqe s GLN 62 Ca 0.06 -0.83 -0.30 0.00 0.05 0.00 0.00 55.36 54.34 1mqe s GLN 62 Cb -0.26 -2.18 -0.08 0.00 1.10 0.00 0.00 33.01 31.59 1mqe s GLN 62 CO -0.01 0.58 1.27 -0.47 -0.55 0.00 0.00 175.29 176.11 1mqe s TYR 63 N -0.65 3.34 -0.28 1.67 5.04 -1.26 0.05 117.35 125.26 1mqe s TYR 63 Ca 0.10 1.23 0.03 0.00 -2.44 0.00 0.00 57.07 56.00 1mqe s TYR 63 Cb -0.10 -3.53 0.07 0.00 0.35 0.00 0.00 41.96 38.74 1mqe s TYR 63 CO -0.00 -1.68 -0.05 1.03 -1.34 0.00 0.00 175.55 173.50 1mqe s ARG 64 N 0.37 1.91 0.34 4.97 1.81 0.85 -4.92 118.95 124.27 1mqe s ARG 64 Ca 0.58 -1.42 0.07 0.00 -1.72 0.00 0.00 55.73 53.24 1mqe s ARG 64 Cb -0.34 -2.90 0.74 0.00 -0.45 0.00 0.00 34.95 32.00 1mqe s ARG 64 CO 0.34 -0.68 1.87 1.25 -0.68 0.00 0.00 175.30 177.40 1mqe h HIS 65 N 7.77 0.90 -0.99 -0.53 -0.00 -1.95 0.13 115.15 120.48 1mqe h HIS 65 Ca -0.15 0.03 0.21 0.00 -0.00 0.00 0.00 60.37 60.46 1mqe h HIS 65 Cb 1.04 -0.29 -0.10 0.00 -0.00 0.00 0.00 27.41 28.07 1mqe h HIS 65 CO 0.56 0.35 0.62 1.79 -0.00 0.00 0.00 177.93 181.26 1mqe h THR 66 N 0.78 0.66 -0.00 6.26 1.35 -1.94 -1.08 112.91 118.94 1mqe h THR 66 Ca 0.45 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 1mqe h THR 66 Cb 0.61 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.03 1mqe h THR 66 CO -0.21 0.11 -0.73 -1.22 -0.25 0.00 0.00 175.52 173.22 1mqe n TYR 67 N -4.68 0.00 -1.89 4.73 4.01 -0.60 -4.98 117.16 113.75 1mqe n TYR 67 Ca 0.23 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.86 1mqe n TYR 67 Cb 0.67 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.68 1mqe n TYR 67 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1mqe n GLY 68 N 1.37 0.39 3.79 2.72 0.00 0.36 -4.99 105.19 108.82 1mqe n GLY 68 Ca 0.04 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 1mqe n GLY 68 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1mqe s ARG 69 N -3.96 1.77 0.06 1.61 1.70 -1.12 -4.98 118.95 114.03 1mqe s ARG 69 Ca 0.00 -1.09 -0.19 0.00 -0.47 0.00 0.00 55.73 53.97 1mqe s ARG 69 Cb 0.00 0.58 -0.06 0.00 -0.57 0.00 0.00 34.95 34.89 1mqe s ARG 69 CO 0.00 -0.80 0.57 1.03 -1.08 0.00 0.00 175.30 175.02 1mqe s ARG 70 N -3.81 4.21 0.12 3.89 0.52 -1.26 -0.10 118.95 122.51 1mqe s ARG 70 Ca 0.14 0.73 0.09 0.00 -0.52 0.00 0.00 55.73 56.17 1mqe s ARG 70 Cb -0.05 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 1mqe s ARG 70 CO 0.08 0.60 -0.23 -0.51 0.02 0.00 0.00 175.30 175.26 1mqe s LEU 71 N -0.98 2.32 -0.05 2.53 1.43 0.11 -4.87 118.68 119.17 1mqe s LEU 71 Ca 0.29 -0.73 -0.27 0.00 -1.03 0.00 0.00 54.13 52.39 1mqe s LEU 71 Cb -0.19 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.99 1mqe s LEU 71 CO 0.19 0.10 0.87 0.26 0.23 0.00 0.00 176.35 178.00 1mqe s TRP 72 N -1.20 3.59 0.20 0.29 0.52 -1.26 -1.00 118.94 120.09 1mqe s TRP 72 Ca 0.10 1.49 -0.04 0.00 0.02 0.00 0.00 56.10 57.67 1mqe s TRP 72 Cb -0.10 -3.01 -0.03 0.00 -1.15 0.00 0.00 33.47 29.18 1mqe s TRP 72 CO 0.05 -0.02 0.20 -1.21 0.02 0.00 0.00 176.95 175.99 1mqe s GLU 73 N 1.15 1.23 0.29 4.98 2.02 0.16 -4.46 118.70 124.07 1mqe s GLU 73 Ca 0.45 -1.50 -0.11 0.00 0.02 0.00 0.00 54.97 53.83 1mqe s GLU 73 Cb -0.19 0.31 -0.07 0.00 0.10 0.00 0.00 34.13 34.28 1mqe s GLU 73 CO 0.22 -0.43 0.64 -0.51 0.02 0.00 0.00 175.26 175.20 1mqe s LEU 74 N -3.11 4.07 0.22 1.80 1.43 -1.26 -0.16 118.68 121.66 1mqe s LEU 74 Ca 0.32 1.03 -0.32 0.00 -1.03 0.00 0.00 54.13 54.14 1mqe s LEU 74 Cb 0.05 -3.83 -0.13 0.00 0.03 0.00 0.00 46.19 42.31 1mqe s LEU 74 CO 0.09 -0.18 1.55 -2.65 0.23 0.00 0.00 176.35 175.39 1mqe n PRO 75 N -0.48 2.29 -3.58 1.29 -0.02 -1.26 -4.80 135.00 128.44 1mqe n PRO 75 Ca 0.01 0.82 -0.17 0.00 -2.02 0.00 0.00 63.50 62.15 1mqe n PRO 75 Cb 0.53 -2.57 -0.07 0.00 -0.02 0.00 0.00 33.50 31.38 1mqe n PRO 75 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mqe s ALA 76 N 0.47 -1.51 0.05 3.55 0.00 -1.26 -1.60 121.76 121.46 1mqe s ALA 76 Ca 0.72 1.04 -0.08 0.00 0.00 0.00 0.00 51.96 53.65 1mqe s ALA 76 Cb -0.61 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.54 1mqe s ALA 76 CO 0.43 -0.35 0.15 0.20 0.00 0.00 0.00 175.76 176.19 1mqe s GLY 77 N -1.26 0.10 0.54 0.00 0.00 -0.79 -5.00 107.32 100.92 1mqe s GLY 77 Ca -0.11 -0.46 -0.18 0.00 0.00 0.00 0.00 44.72 43.96 1mqe s GLY 77 CO 0.08 -0.63 1.05 1.08 0.00 0.00 0.00 173.10 174.69 1mqe s LEU 78 N -2.27 3.67 -1.41 0.66 1.43 -1.26 -1.83 118.68 117.66 1mqe s LEU 78 Ca -0.03 1.89 -0.08 0.00 -1.03 0.00 0.00 54.13 54.88 1mqe s LEU 78 Cb 0.00 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.74 1mqe s LEU 78 CO -0.06 -1.00 2.41 0.18 0.23 0.00 0.00 176.35 178.11 1mqe n LEU 79 N -1.52 7.81 -1.20 1.79 4.77 -0.18 -4.59 117.00 123.88 1mqe n LEU 79 Ca 0.09 -4.62 0.11 0.00 -0.03 0.00 0.00 56.01 51.55 1mqe n LEU 79 Cb 0.53 -1.47 0.29 0.00 -2.33 0.00 0.00 43.42 40.43 1mqe n LEU 79 CO 0.44 1.82 0.74 -0.90 -1.33 0.00 0.00 177.39 178.16 1mqe n ASP 80 N 3.13 3.49 -4.20 -1.43 5.68 -1.26 -4.75 116.55 117.20 1mqe n ASP 80 Ca 0.61 -1.99 -0.41 0.00 -0.50 0.00 0.00 54.79 52.49 1mqe n ASP 80 Cb 0.28 -0.42 -0.07 0.00 -1.14 0.00 0.00 41.12 39.78 1mqe n ASP 80 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1mqe s VAL 81 N -1.17 4.50 0.01 2.12 1.01 -1.26 -5.05 120.40 120.56 1mqe s VAL 81 Ca 0.43 -2.51 -0.37 0.00 0.00 0.00 0.00 61.98 59.53 1mqe s VAL 81 Cb 0.23 -3.87 -0.19 0.00 0.00 0.00 0.00 36.38 32.55 1mqe s VAL 81 CO 0.30 -0.91 0.99 0.00 0.00 0.00 0.00 175.10 175.48 1mqe n ALA 82 N 3.99 -3.45 -0.71 5.51 0.00 -1.26 -0.44 120.51 124.15 1mqe n ALA 82 Ca 0.06 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1mqe n ALA 82 Cb 0.42 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1mqe n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mqe n GLY 83 N 1.43 0.65 3.67 0.00 0.00 -1.26 -4.98 105.19 104.69 1mqe n GLY 83 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1mqe n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mqe s GLU 84 N -0.41 4.31 0.33 1.61 2.12 0.42 -5.01 118.70 122.06 1mqe s GLU 84 Ca 0.00 1.07 -0.29 0.00 0.36 0.00 0.00 54.97 56.11 1mqe s GLU 84 Cb 0.00 -3.57 -0.12 0.00 0.26 0.00 0.00 34.13 30.70 1mqe s GLU 84 CO 0.00 -0.34 1.43 -2.30 -0.54 0.00 0.00 175.26 173.51 1mqe n PRO 85 N 5.26 2.43 -0.17 4.30 -0.02 -1.26 -4.82 135.00 140.72 1mqe n PRO 85 Ca 0.05 0.85 -0.02 0.00 -2.02 0.00 0.00 63.50 62.37 1mqe n PRO 85 Cb 0.49 -2.54 0.05 0.00 -0.02 0.00 0.00 33.50 31.48 1mqe n PRO 85 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1mqe h PRO 86 N 3.33 0.03 0.00 0.52 0.11 -1.98 -1.05 132.00 132.96 1mqe h PRO 86 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1mqe h PRO 86 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1mqe h PRO 86 CO 0.68 0.02 0.00 1.12 -0.21 0.00 0.00 178.00 179.61 1mqe h HIS 87 N 0.03 0.00 0.11 0.65 2.07 -1.98 0.39 115.15 116.42 1mqe h HIS 87 Ca 0.26 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.50 1mqe h HIS 87 Cb 0.41 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.42 1mqe h HIS 87 CO -0.42 0.00 -1.17 1.25 -3.07 0.00 0.00 177.93 174.53 1mqe h LEU 88 N 0.00 0.83 -0.29 6.12 6.46 -1.59 0.72 115.31 127.56 1mqe h LEU 88 Ca 0.00 -0.83 -0.01 0.00 -0.12 0.00 0.00 57.88 56.92 1mqe h LEU 88 Cb 0.37 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1mqe h LEU 88 CO 0.00 1.57 0.15 0.74 -0.62 0.00 0.00 178.44 180.28 1mqe h THR 89 N 0.20 1.14 0.21 1.05 2.02 -0.22 -0.07 112.91 117.24 1mqe h THR 89 Ca -0.18 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 66.62 1mqe h THR 89 Cb 1.85 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 1mqe h THR 89 CO 0.22 0.14 -0.23 0.00 0.37 0.00 0.00 175.52 176.03 1mqe h ALA 90 N 1.01 -0.46 -0.96 6.16 0.00 -0.24 -0.85 119.26 123.92 1mqe h ALA 90 Ca 0.10 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1mqe h ALA 90 Cb 0.09 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1mqe h ALA 90 CO -0.01 -0.79 0.61 0.00 0.00 0.00 0.00 179.25 179.06 1mqe h ALA 91 N 0.22 1.51 -0.48 0.00 0.00 -0.69 -0.10 119.26 119.72 1mqe h ALA 91 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1mqe h ALA 91 Cb 0.46 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1mqe h ALA 91 CO -0.07 0.31 0.22 -0.09 0.00 0.00 0.00 179.25 179.63 1mqe h ARG 92 N 1.03 0.69 -0.51 0.00 1.12 -0.48 -2.31 114.38 113.92 1mqe h ARG 92 Ca 0.43 -0.10 -0.07 0.00 -1.11 0.00 0.00 59.98 59.13 1mqe h ARG 92 Cb 0.31 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.13 1mqe h ARG 92 CO -0.19 0.59 0.04 1.49 -3.11 0.00 0.00 179.97 178.79 1mqe h GLU 93 N 0.63 0.88 -0.95 0.20 4.57 -0.10 0.36 114.58 120.17 1mqe h GLU 93 Ca 0.16 -0.26 0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1mqe h GLU 93 Cb 0.13 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 28.57 1mqe h GLU 93 CO -0.02 0.89 0.62 1.25 -1.18 0.00 0.00 179.01 180.57 1mqe h LEU 94 N 0.75 1.02 0.39 1.64 5.85 -0.89 0.95 115.31 125.03 1mqe h LEU 94 Ca 0.15 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1mqe h LEU 94 Cb 0.47 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1mqe h LEU 94 CO 0.02 0.69 -0.19 -0.09 -0.34 0.00 0.00 178.44 178.53 1mqe h ARG 95 N 1.18 -0.50 -0.71 1.25 2.43 -1.11 -1.61 114.38 115.32 1mqe h ARG 95 Ca 0.39 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.60 1mqe h ARG 95 Cb 0.04 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1mqe h ARG 95 CO -0.13 -0.20 0.47 0.93 -1.51 0.00 0.00 179.97 179.53 1mqe h GLU 96 N -0.98 0.93 0.12 0.20 5.08 -0.71 0.52 114.58 119.74 1mqe h GLU 96 Ca -0.05 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1mqe h GLU 96 Cb 0.54 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1mqe h GLU 96 CO 0.09 0.61 -0.06 1.49 -1.00 0.00 0.00 179.01 180.14 1mqe h GLU 97 N 0.96 -0.16 0.00 2.33 4.57 0.86 -3.39 114.58 119.74 1mqe h GLU 97 Ca 0.26 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1mqe h GLU 97 Cb -0.11 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1mqe h GLU 97 CO -0.06 0.29 -0.09 1.33 -1.18 0.00 0.00 179.01 179.31 1mqe n VAL 98 N -4.92 1.20 -3.87 0.32 0.24 -0.63 -5.02 118.33 105.64 1mqe n VAL 98 Ca -0.08 -1.39 -0.29 0.00 -2.04 0.00 0.00 64.34 60.54 1mqe n VAL 98 Cb 0.27 0.17 0.03 0.00 -1.47 0.00 0.00 33.84 32.84 1mqe n VAL 98 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mqe n GLY 99 N -0.85 -0.50 3.33 7.63 0.00 0.18 -4.95 105.19 110.03 1mqe n GLY 99 Ca 0.08 0.20 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 1mqe n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mqe s LEU 100 N -7.28 2.28 0.09 0.99 1.43 -1.14 -1.30 118.68 113.75 1mqe s LEU 100 Ca 0.65 -0.69 0.09 0.00 -1.03 0.00 0.00 54.13 53.15 1mqe s LEU 100 Cb -0.32 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 1mqe s LEU 100 CO 0.82 0.14 -0.23 -1.58 0.23 0.00 0.00 176.35 175.72 1mqe s GLN 101 N -1.84 1.34 -0.00 1.70 0.74 0.02 -3.05 119.66 118.57 1mqe s GLN 101 Ca 0.10 -1.16 0.04 0.00 0.05 0.00 0.00 55.36 54.39 1mqe s GLN 101 Cb -0.10 -1.63 -0.01 0.00 1.10 0.00 0.00 33.01 32.37 1mqe s GLN 101 CO 0.05 0.40 -0.12 0.00 -0.55 0.00 0.00 175.29 175.06 1mqe s ALA 102 N -1.01 1.04 0.08 1.58 0.00 -1.26 -0.72 121.76 121.46 1mqe s ALA 102 Ca 0.09 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 1mqe s ALA 102 Cb -0.10 -0.25 -0.27 0.00 0.00 0.00 0.00 23.12 22.50 1mqe s ALA 102 CO 0.04 0.25 1.15 0.77 0.00 0.00 0.00 175.76 177.96 1mqe h SER 103 N 5.73 0.35 -3.25 0.00 0.02 0.32 -3.45 113.55 113.27 1mqe h SER 103 Ca -0.34 -0.38 -0.67 0.00 -0.84 0.00 0.00 61.79 59.57 1mqe h SER 103 Cb 1.17 -0.11 -0.31 0.00 0.14 0.00 0.00 62.40 63.29 1mqe h SER 103 CO 0.48 1.30 -0.81 -0.89 -1.14 0.00 0.00 176.83 175.78 1mqe s THR 104 N -2.66 2.63 -0.13 -2.27 2.01 -0.68 -5.01 115.64 109.53 1mqe s THR 104 Ca -0.03 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.22 1mqe s THR 104 Cb 0.08 -2.12 0.01 0.00 0.01 0.00 0.00 72.50 70.48 1mqe s THR 104 CO 0.87 0.51 -0.21 0.26 -0.69 0.00 0.00 174.62 175.36 1mqe s TRP 105 N 0.97 2.53 0.20 4.92 0.52 -1.26 -0.67 118.94 126.16 1mqe s TRP 105 Ca -0.02 -1.25 0.02 0.00 0.02 0.00 0.00 56.10 54.87 1mqe s TRP 105 Cb -0.15 -1.73 -0.05 0.00 -1.15 0.00 0.00 33.47 30.39 1mqe s TRP 105 CO -0.03 -0.58 0.03 -0.65 0.02 0.00 0.00 176.95 175.75 1mqe s GLN 106 N 0.82 1.22 -0.08 4.98 -0.21 -0.65 -4.53 119.66 121.21 1mqe s GLN 106 Ca -0.08 -1.62 -0.19 0.00 0.02 0.00 0.00 55.36 53.50 1mqe s GLN 106 Cb -0.16 -0.30 -0.05 0.00 1.00 0.00 0.00 33.01 33.51 1mqe s GLN 106 CO -0.01 -0.18 0.51 0.08 -2.12 0.00 0.00 175.29 173.57 1mqe s VAL 107 N -3.66 5.11 -0.12 1.09 1.01 0.35 -0.48 120.40 123.70 1mqe s VAL 107 Ca 0.28 1.03 -0.14 0.00 0.00 0.00 0.00 61.98 63.15 1mqe s VAL 107 Cb 0.06 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1mqe s VAL 107 CO 0.07 0.36 -0.28 -0.11 0.00 0.00 0.00 175.10 175.15 1mqe n LEU 108 N 3.33 1.77 -3.66 3.92 7.94 -0.29 0.81 117.00 130.82 1mqe n LEU 108 Ca -0.07 0.29 -0.13 0.00 -1.11 0.00 0.00 56.01 54.99 1mqe n LEU 108 Cb 0.52 -0.66 -0.08 0.00 0.53 0.00 0.00 43.42 43.73 1mqe n LEU 108 CO 0.43 -0.37 0.32 0.54 -1.11 0.00 0.00 177.39 177.19 1mqe s VAL 109 N -2.72 -0.00 0.00 1.96 0.11 -0.93 -4.83 120.40 113.99 1mqe s VAL 109 Ca -0.23 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.83 1mqe s VAL 109 Cb 0.03 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1mqe s VAL 109 CO 0.34 0.00 0.04 -1.81 -3.33 0.00 0.00 175.10 170.34 1mqe s ASP 110 N 0.45 5.36 -0.02 3.54 1.01 -1.26 -0.41 116.67 125.33 1mqe s ASP 110 Ca -0.01 0.05 -0.02 0.00 0.71 0.00 0.00 52.55 53.28 1mqe s ASP 110 Cb -0.05 -1.46 0.00 0.00 1.01 0.00 0.00 42.92 42.43 1mqe s ASP 110 CO -0.01 0.27 0.05 -1.48 0.21 0.00 0.00 175.17 174.21 1mqe s LEU 111 N -1.68 1.83 -0.50 1.23 2.34 -0.26 -4.98 118.68 116.65 1mqe s LEU 111 Ca 0.21 0.05 -0.16 0.00 0.06 0.00 0.00 54.13 54.29 1mqe s LEU 111 Cb -0.12 0.18 0.08 0.00 -0.56 0.00 0.00 46.19 45.78 1mqe s LEU 111 CO 0.12 -0.05 0.48 -1.81 -1.06 0.00 0.00 176.35 174.03 1mqe s ASP 112 N -0.11 6.17 0.09 1.48 1.01 -1.26 -0.42 116.67 123.63 1mqe s ASP 112 Ca -0.01 -1.36 -0.30 0.00 0.71 0.00 0.00 52.55 51.59 1mqe s ASP 112 Cb -0.01 -2.21 -0.13 0.00 1.01 0.00 0.00 42.92 41.57 1mqe s ASP 112 CO 0.00 -0.76 1.63 0.71 0.21 0.00 0.00 175.17 176.96 1mqe h THR 113 N 5.81 0.38 -2.26 -1.27 1.35 -1.93 -3.37 112.91 111.62 1mqe h THR 113 Ca -0.29 0.00 -0.59 0.00 -0.55 0.00 0.00 66.41 64.99 1mqe h THR 113 Cb 1.10 0.38 -0.40 0.00 -1.73 0.00 0.00 68.15 67.50 1mqe h THR 113 CO 0.94 0.00 -0.84 0.00 -0.25 0.00 0.00 175.52 175.38 1mqe n ALA 114 N -2.56 3.21 0.11 6.62 0.00 -1.26 -4.96 120.51 121.66 1mqe n ALA 114 Ca -0.10 -4.00 0.19 0.00 0.00 0.00 0.00 53.44 49.54 1mqe n ALA 114 Cb 0.32 -0.86 0.76 0.00 0.00 0.00 0.00 19.45 19.67 1mqe n ALA 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1mqe h PRO 115 N 4.47 0.00 0.00 0.00 0.11 -1.77 -0.70 132.00 134.12 1mqe h PRO 115 Ca 0.15 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.20 1mqe h PRO 115 Cb 0.79 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 1mqe h PRO 115 CO 0.62 0.00 -0.32 0.78 -0.21 0.00 0.00 178.00 178.87 1mqe h GLY 116 N 0.00 0.00 0.00 -0.55 0.00 -1.96 -3.40 103.07 97.16 1mqe h GLY 116 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1mqe h GLY 116 CO -0.00 0.00 0.00 1.97 0.00 0.00 0.00 176.54 178.51 1mqe n PHE 117 N -3.33 0.00 -4.07 5.60 -1.74 -0.84 -4.99 117.46 108.10 1mqe n PHE 117 Ca 0.01 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.79 1mqe n PHE 117 Cb 0.55 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.44 1mqe n PHE 117 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1mqe s SER 118 N 0.00 0.79 0.00 5.98 0.15 -0.33 -0.21 113.70 120.08 1mqe s SER 118 Ca 0.00 -0.67 0.20 0.00 0.70 0.00 0.00 55.95 56.18 1mqe s SER 118 Cb 0.00 0.07 0.64 0.00 -1.71 0.00 0.00 66.02 65.02 1mqe s SER 118 CO 0.00 -0.30 1.49 -0.90 1.20 0.00 0.00 173.24 174.73 1mqe n ASP 119 N 1.06 2.08 -4.72 5.45 5.68 -0.68 -4.38 116.55 121.04 1mqe n ASP 119 Ca -0.20 -1.80 -0.40 0.00 -0.50 0.00 0.00 54.79 51.89 1mqe n ASP 119 Cb 0.56 -0.15 0.02 0.00 -1.14 0.00 0.00 41.12 40.42 1mqe n ASP 119 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1mqe n GLU 120 N 0.60 1.96 -3.84 0.11 2.13 -1.26 -4.41 120.64 115.93 1mqe n GLU 120 Ca 0.16 0.70 -0.12 0.00 0.66 0.00 0.00 57.16 58.57 1mqe n GLU 120 Cb 0.39 -2.48 -0.12 0.00 0.27 0.00 0.00 31.44 29.50 1mqe n GLU 120 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1mqe s SER 121 N -0.59 -0.09 -0.07 4.31 0.15 -1.26 -3.61 113.70 112.55 1mqe s SER 121 Ca 0.63 0.12 0.03 0.00 0.70 0.00 0.00 55.95 57.43 1mqe s SER 121 Cb -0.47 0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.11 1mqe s SER 121 CO 0.56 -0.15 -0.16 -0.69 1.20 0.00 0.00 173.24 174.00 1mqe s VAL 122 N -0.39 1.42 -0.26 4.45 1.01 0.44 -2.27 120.40 124.79 1mqe s VAL 122 Ca -0.05 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 1mqe s VAL 122 Cb -0.03 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 1mqe s VAL 122 CO 0.01 0.42 0.17 -0.60 0.00 0.00 0.00 175.10 175.10 1mqe s ARG 123 N 0.47 4.00 -0.24 2.72 3.52 -0.87 -1.11 118.95 127.45 1mqe s ARG 123 Ca -0.14 -0.30 -0.08 0.00 -0.13 0.00 0.00 55.73 55.08 1mqe s ARG 123 Cb -0.16 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.60 1mqe s ARG 123 CO 0.05 -0.07 0.10 0.08 -0.81 0.00 0.00 175.30 174.64 1mqe s VAL 124 N 1.44 4.70 0.17 7.11 1.01 0.45 -1.13 120.40 134.14 1mqe s VAL 124 Ca 0.07 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.03 1mqe s VAL 124 Cb -0.15 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1mqe s VAL 124 CO 0.08 0.35 0.30 -0.31 0.00 0.00 0.00 175.10 175.53 1mqe s TYR 125 N 1.27 3.48 -0.29 5.22 1.51 -0.34 -1.14 117.35 127.07 1mqe s TYR 125 Ca 0.05 0.11 -0.06 0.00 -1.01 0.00 0.00 57.07 56.17 1mqe s TYR 125 Cb -0.14 -1.66 0.01 0.00 -0.11 0.00 0.00 41.96 40.05 1mqe s TYR 125 CO 0.04 0.49 0.06 -1.17 -1.11 0.00 0.00 175.55 173.87 1mqe s LEU 126 N -3.36 3.76 -0.15 -1.29 2.96 0.37 -0.17 118.68 120.79 1mqe s LEU 126 Ca 0.35 -0.74 -0.04 0.00 -0.22 0.00 0.00 54.13 53.48 1mqe s LEU 126 Cb -0.11 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1mqe s LEU 126 CO 0.29 -0.18 0.00 0.00 -1.32 0.00 0.00 176.35 175.14 1mqe s ALA 127 N 1.47 3.19 0.37 5.97 0.00 0.02 -1.64 121.76 131.15 1mqe s ALA 127 Ca 0.02 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.23 1mqe s ALA 127 Cb -0.17 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1mqe s ALA 127 CO 0.01 0.28 0.11 0.95 0.00 0.00 0.00 175.76 177.12 1mqe s THR 128 N 0.10 0.75 -0.76 0.00 -4.23 0.16 -1.34 115.64 110.31 1mqe s THR 128 Ca 0.02 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1mqe s THR 128 Cb -0.13 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 1mqe s THR 128 CO 0.02 0.00 0.69 0.61 -0.54 0.00 0.00 174.62 175.40 1mqe n GLY 129 N -0.81 -1.04 3.82 3.99 0.00 -1.26 -1.68 105.19 108.20 1mqe n GLY 129 Ca -0.04 0.43 -0.38 0.00 0.00 0.00 0.00 46.02 46.02 1mqe n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mqe s LEU 130 N -4.28 4.49 -0.06 0.99 1.43 -1.26 -0.07 118.68 119.92 1mqe s LEU 130 Ca 0.16 1.19 0.02 0.00 -1.03 0.00 0.00 54.13 54.47 1mqe s LEU 130 Cb -0.02 -2.92 0.01 0.00 0.03 0.00 0.00 46.19 43.29 1mqe s LEU 130 CO 0.66 0.25 -0.11 -0.13 0.23 0.00 0.00 176.35 177.25 1mqe s ARG 131 N -1.26 1.51 -0.30 1.70 1.81 0.10 -4.97 118.95 117.55 1mqe s ARG 131 Ca 0.30 -0.35 -0.28 0.00 -1.72 0.00 0.00 55.73 53.68 1mqe s ARG 131 Cb -0.18 -1.28 0.01 0.00 -0.45 0.00 0.00 34.95 33.05 1mqe s ARG 131 CO 0.18 0.01 0.99 -1.21 -0.68 0.00 0.00 175.30 174.60 1mqe s GLU 132 N 0.69 4.07 0.41 3.54 2.02 -1.26 -0.80 118.70 127.37 1mqe s GLU 132 Ca -0.14 0.99 0.06 0.00 0.02 0.00 0.00 54.97 55.90 1mqe s GLU 132 Cb -0.15 -3.72 -0.07 0.00 0.10 0.00 0.00 34.13 30.29 1mqe s GLU 132 CO 0.03 -0.80 0.01 0.14 0.02 0.00 0.00 175.26 174.66 1mqe s VAL 133 N 3.40 1.82 0.00 2.63 -7.23 -0.42 -4.97 120.40 115.64 1mqe s VAL 133 Ca 0.42 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1mqe s VAL 133 Cb -0.13 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 33.92 1mqe s VAL 133 CO 0.13 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.53 1mqe n GLY 134 N -0.97 0.50 0.00 2.32 0.00 -1.26 -4.65 105.19 101.13 1mqe n GLY 134 Ca -0.06 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1mqe n GLY 134 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mqe n ARG 135 N 0.34 0.00 -3.31 1.61 3.00 -1.26 -5.23 116.66 111.81 1mqe n ARG 135 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.47 1mqe n ARG 135 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 1mqe n ARG 135 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1mqe s THR 146 N 0.00 4.87 0.08 5.15 2.01 -1.26 -5.28 115.64 121.20 1mqe s THR 146 Ca 0.00 1.12 -0.04 0.00 0.31 0.00 0.00 61.69 63.08 1mqe s THR 146 Cb 0.00 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1mqe s THR 146 CO 0.00 0.51 0.07 0.00 -0.69 0.00 0.00 174.62 174.51 1mqe s MET 147 N -0.77 0.75 -0.00 4.92 0.00 -1.26 -0.67 119.30 122.26 1mqe s MET 147 Ca 0.28 -1.15 -0.14 0.00 0.00 0.00 0.00 55.69 54.68 1mqe s MET 147 Cb -0.18 0.27 0.02 0.00 0.00 0.00 0.00 34.83 34.93 1mqe s MET 147 CO 0.17 -0.19 0.29 0.20 0.00 0.00 0.00 175.02 175.48 1mqe s GLY 148 N -2.91 -0.12 -0.11 3.16 0.00 0.10 -4.95 107.32 102.48 1mqe s GLY 148 Ca 0.08 0.21 -0.12 0.00 0.00 0.00 0.00 44.72 44.89 1mqe s GLY 148 CO -0.09 0.01 0.28 -0.98 0.00 0.00 0.00 173.10 172.32 1mqe s TRP 149 N -1.56 3.55 -0.04 1.90 0.52 -1.26 -0.08 118.94 121.97 1mqe s TRP 149 Ca -0.12 0.67 0.02 0.00 0.02 0.00 0.00 56.10 56.69 1mqe s TRP 149 Cb -0.05 -2.24 0.01 0.00 -1.15 0.00 0.00 33.47 30.04 1mqe s TRP 149 CO 0.03 0.44 -0.10 0.71 0.02 0.00 0.00 176.95 178.05 1mqe s TYR 150 N -0.22 1.15 0.33 -1.98 1.51 0.12 -4.93 117.35 113.33 1mqe s TYR 150 Ca 0.18 -0.34 -0.29 0.00 -1.01 0.00 0.00 57.07 55.61 1mqe s TYR 150 Cb -0.14 -0.83 -0.11 0.00 -0.11 0.00 0.00 41.96 40.78 1mqe s TYR 150 CO 0.06 -0.16 1.39 -2.14 -1.11 0.00 0.00 175.55 173.59 1mqe s PRO 151 N 0.37 4.26 0.36 -1.71 0.02 -1.26 -1.27 135.00 135.77 1mqe s PRO 151 Ca -0.07 2.36 0.14 0.00 0.02 0.00 0.00 61.00 63.45 1mqe s PRO 151 Cb -0.11 -3.04 0.99 0.00 0.02 0.00 0.00 34.50 32.35 1mqe s PRO 151 CO 0.01 -0.35 1.76 0.82 -0.33 0.00 0.00 177.00 178.92 1mqe h ILE 152 N 3.09 0.55 -0.27 2.83 2.04 -1.21 0.15 117.51 124.69 1mqe h ILE 152 Ca -0.49 -0.17 -0.13 0.00 1.00 0.00 0.00 64.86 65.07 1mqe h ILE 152 Cb 1.23 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1mqe h ILE 152 CO 0.67 0.09 -0.38 0.00 0.00 0.00 0.00 178.15 178.54 1mqe h ALA 153 N 1.66 0.84 -0.46 1.87 0.00 -1.88 -0.31 119.26 120.98 1mqe h ALA 153 Ca 0.61 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1mqe h ALA 153 Cb 1.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1mqe h ALA 153 CO -0.37 0.64 0.13 1.49 0.00 0.00 0.00 179.25 181.15 1mqe h GLU 154 N 0.51 0.72 -0.83 0.00 4.81 -1.12 -1.75 114.58 116.92 1mqe h GLU 154 Ca 0.05 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 1mqe h GLU 154 Cb 0.88 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 1mqe h GLU 154 CO 0.08 0.70 0.38 0.00 -0.73 0.00 0.00 179.01 179.44 1mqe h ALA 155 N 0.99 1.11 -0.71 2.92 0.00 -0.94 -1.19 119.26 121.44 1mqe h ALA 155 Ca 0.15 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1mqe h ALA 155 Cb 0.29 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1mqe h ALA 155 CO -0.00 0.66 0.20 0.00 0.00 0.00 0.00 179.25 180.11 1mqe h ALA 156 N 1.23 0.93 -0.13 0.00 0.00 -0.78 -2.30 119.26 118.21 1mqe h ALA 156 Ca 0.28 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1mqe h ALA 156 Cb 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1mqe h ALA 156 CO -0.03 0.64 -0.44 0.00 0.00 0.00 0.00 179.25 179.41 1mqe h ARG 157 N 1.06 0.31 -0.43 0.00 3.08 -0.92 -2.33 114.38 115.16 1mqe h ARG 157 Ca 0.23 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 1mqe h ARG 157 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1mqe h ARG 157 CO -0.00 0.70 0.01 0.00 -1.07 0.00 0.00 179.97 179.61 1mqe h ARG 158 N 0.26 0.68 0.25 0.04 3.08 -0.90 -1.21 114.38 116.58 1mqe h ARG 158 Ca 0.02 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1mqe h ARG 158 Cb 0.88 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1mqe h ARG 158 CO 0.07 0.69 -0.12 0.28 -1.07 0.00 0.00 179.97 179.82 1mqe h VAL 159 N 0.65 0.80 0.00 2.04 2.07 -1.05 0.19 116.25 120.94 1mqe h VAL 159 Ca 0.13 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1mqe h VAL 159 Cb 0.38 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1mqe h VAL 159 CO 0.01 0.08 0.00 0.18 0.02 0.00 0.00 177.57 177.86 1mqe n LEU 160 N -5.16 0.00 -0.32 2.57 7.99 -0.91 -1.44 117.00 119.74 1mqe n LEU 160 Ca -0.09 0.19 0.04 0.00 -0.01 0.00 0.00 56.01 56.13 1mqe n LEU 160 Cb 0.21 -0.19 0.03 0.00 -0.11 0.00 0.00 43.42 43.37 1mqe n LEU 160 CO 0.33 -0.10 0.35 -1.14 -1.51 0.00 0.00 177.39 175.32 1mqe n ARG 161 N -1.19 0.53 -0.88 3.23 0.63 -0.47 -5.00 116.66 113.51 1mqe n ARG 161 Ca 0.08 -0.93 0.00 0.00 -0.92 0.00 0.00 57.85 56.08 1mqe n ARG 161 Cb 0.09 -1.14 0.00 0.00 0.45 0.00 0.00 32.46 31.86 1mqe n ARG 161 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1mqe n GLY 162 N 0.54 0.59 0.01 5.14 0.00 -0.52 -4.92 105.19 106.03 1mqe n GLY 162 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1mqe n GLY 162 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mqe n GLU 163 N -2.82 0.02 -3.86 1.61 1.02 0.56 -4.57 120.64 112.61 1mqe n GLU 163 Ca 0.00 0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 1mqe n GLU 163 Cb 0.00 -1.52 -0.16 0.00 -0.02 0.00 0.00 31.44 29.74 1mqe n GLU 163 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1mqe s ILE 164 N -3.01 1.13 -0.00 -3.67 1.01 -1.17 -4.58 121.20 110.90 1mqe s ILE 164 Ca 0.12 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.84 1mqe s ILE 164 Cb 0.18 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 1mqe s ILE 164 CO 0.65 -0.13 0.02 1.33 0.00 0.00 0.00 174.94 176.81 1mqe n VAL 165 N 4.82 0.00 -1.67 2.92 0.24 -1.26 -4.57 118.33 118.82 1mqe n VAL 165 Ca -0.11 -0.05 -0.51 0.00 -2.04 0.00 0.00 64.34 61.64 1mqe n VAL 165 Cb 0.45 0.51 -0.05 0.00 -1.47 0.00 0.00 33.84 33.28 1mqe n VAL 165 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1mqe n ASN 166 N -1.50 2.68 -0.09 -1.34 2.85 -1.26 -4.82 115.26 111.78 1mqe n ASN 166 Ca -0.00 1.06 0.06 0.00 -0.11 0.00 0.00 54.58 55.59 1mqe n ASN 166 Cb 0.02 -1.28 0.40 0.00 1.24 0.00 0.00 39.78 40.16 1mqe n ASN 166 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1mqe h SER 167 N 6.86 0.54 -0.31 1.20 4.64 -1.96 -0.43 113.55 124.09 1mqe h SER 167 Ca -0.47 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.70 1mqe h SER 167 Cb 1.29 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1mqe h SER 167 CO 0.90 0.37 -0.34 0.40 -0.87 0.00 0.00 176.83 177.29 1mqe h ILE 168 N 0.62 1.28 -0.22 0.95 2.04 -2.00 -2.12 117.51 118.06 1mqe h ILE 168 Ca 0.23 -1.50 -0.07 0.00 1.00 0.00 0.00 64.86 64.52 1mqe h ILE 168 Cb 0.15 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1mqe h ILE 168 CO -0.06 0.50 -0.13 0.00 0.00 0.00 0.00 178.15 178.46 1mqe h ALA 169 N 0.91 0.32 -0.07 1.87 0.00 -1.78 -1.23 119.26 119.29 1mqe h ALA 169 Ca 0.07 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1mqe h ALA 169 Cb 0.90 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1mqe h ALA 169 CO 0.08 0.19 -0.10 0.82 0.00 0.00 0.00 179.25 180.24 1mqe h ILE 170 N 0.19 0.74 -0.12 0.00 2.04 -1.02 0.12 117.51 119.45 1mqe h ILE 170 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1mqe h ILE 170 Cb 0.64 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1mqe h ILE 170 CO 0.04 0.00 0.07 0.00 0.00 0.00 0.00 178.15 178.26 1mqe h ALA 171 N 0.91 0.15 -0.26 1.87 0.00 -1.35 -1.25 119.26 119.32 1mqe h ALA 171 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1mqe h ALA 171 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1mqe h ALA 171 CO -0.15 -0.37 0.08 0.78 0.00 0.00 0.00 179.25 179.60 1mqe h GLY 172 N 0.15 0.43 0.88 0.00 0.00 -1.02 -0.27 103.07 103.24 1mqe h GLY 172 Ca 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1mqe h GLY 172 CO -0.01 0.24 -0.12 -2.08 0.00 0.00 0.00 176.54 174.57 1mqe h VAL 173 N 0.26 0.80 0.00 4.60 2.07 -0.72 -1.21 116.25 122.05 1mqe h VAL 173 Ca 0.08 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1mqe h VAL 173 Cb 0.23 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1mqe h VAL 173 CO -0.00 0.06 -0.28 -0.07 0.02 0.00 0.00 177.57 177.29 1mqe h LEU 174 N -0.45 0.00 -0.07 2.57 3.38 -1.25 -1.20 115.31 118.29 1mqe h LEU 174 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1mqe h LEU 174 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1mqe h LEU 174 CO 0.05 0.28 -0.08 0.00 0.09 0.00 0.00 178.44 178.78 1mqe h ALA 175 N 1.72 0.11 0.00 1.53 0.00 -0.86 -1.95 119.26 119.81 1mqe h ALA 175 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1mqe h ALA 175 Cb 0.55 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1mqe h ALA 175 CO 0.04 -0.06 -0.16 -0.24 0.00 0.00 0.00 179.25 178.82 1mqe h VAL 176 N -0.25 0.53 -0.27 0.00 3.04 -1.06 -1.29 116.25 116.95 1mqe h VAL 176 Ca 0.01 -0.77 -0.12 0.00 -1.01 0.00 0.00 66.70 64.81 1mqe h VAL 176 Cb 0.60 1.52 -0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1mqe h VAL 176 CO 0.02 0.16 -0.30 -0.74 -1.01 0.00 0.00 177.57 175.69 1mqe h HIS 177 N 0.00 0.82 -0.27 3.17 6.17 -1.11 0.22 115.15 124.16 1mqe h HIS 177 Ca -0.00 -0.26 -0.04 0.00 0.71 0.00 0.00 60.37 60.78 1mqe h HIS 177 Cb 0.51 -0.17 -0.02 0.00 2.52 0.00 0.00 27.41 30.25 1mqe h HIS 177 CO 0.00 1.00 -0.01 0.00 0.71 0.00 0.00 177.93 179.63 1mqe h ALA 178 N 0.68 1.48 0.06 5.26 0.00 -0.60 -1.20 119.26 124.94 1mqe h ALA 178 Ca 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1mqe h ALA 178 Cb 0.88 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1mqe h ALA 178 CO 0.07 0.37 -0.03 0.28 0.00 0.00 0.00 179.25 179.95 1mqe h VAL 179 N 0.40 1.27 0.00 0.00 2.07 -1.00 0.24 116.25 119.23 1mqe h VAL 179 Ca 0.09 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1mqe h VAL 179 Cb 0.28 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1mqe h VAL 179 CO 0.01 0.31 -0.03 0.71 0.02 0.00 0.00 177.57 178.59 1mqe h THR 180 N -0.66 0.36 -0.19 2.57 1.35 -0.30 0.23 112.91 116.26 1mqe h THR 180 Ca -0.01 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1mqe h THR 180 Cb 0.56 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1mqe h THR 180 CO 0.01 0.03 0.00 0.35 -0.25 0.00 0.00 175.52 175.66 1mqe n THR 181 N -3.54 0.24 -1.01 6.82 -2.24 -0.48 -4.91 114.28 109.17 1mqe n THR 181 Ca -0.03 -0.39 -0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1mqe n THR 181 Cb 0.13 0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1mqe n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mqe n GLY 182 N 1.17 0.45 0.10 3.38 0.00 0.07 -4.92 105.19 105.44 1mqe n GLY 182 Ca 0.16 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1mqe n GLY 182 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1mqe h PHE 183 N 0.00 0.25 -4.30 1.61 3.57 -0.71 -3.48 116.94 113.88 1mqe h PHE 183 Ca -0.01 -0.16 -0.24 0.00 3.53 0.00 0.00 57.97 61.09 1mqe h PHE 183 Cb 0.14 -0.02 -0.11 0.00 2.79 0.00 0.00 35.95 38.74 1mqe h PHE 183 CO 0.08 1.06 -0.37 0.00 -2.23 0.00 0.00 178.31 176.85 1mqe s ALA 184 N -2.92 0.84 0.17 2.41 0.00 -0.74 -4.96 121.76 116.56 1mqe s ALA 184 Ca -0.02 -1.52 0.11 0.00 0.00 0.00 0.00 51.96 50.53 1mqe s ALA 184 Cb 0.09 1.27 -0.04 0.00 0.00 0.00 0.00 23.12 24.44 1mqe s ALA 184 CO 0.84 -0.72 -0.23 -0.65 0.00 0.00 0.00 175.76 175.00 1mqe s GLN 185 N -3.72 1.42 0.98 0.00 -1.52 -1.26 -4.18 119.66 111.38 1mqe s GLN 185 Ca 0.33 -1.44 -0.13 0.00 -1.95 0.00 0.00 55.36 52.17 1mqe s GLN 185 Cb 0.03 -1.73 0.18 0.00 -0.22 0.00 0.00 33.01 31.27 1mqe s GLN 185 CO 0.16 0.38 1.12 -2.14 -0.25 0.00 0.00 175.29 174.56 1mqe s PRO 186 N -2.52 0.55 0.25 2.91 0.02 -1.26 -5.01 135.00 129.95 1mqe s PRO 186 Ca 0.17 0.34 0.08 0.00 0.02 0.00 0.00 61.00 61.62 1mqe s PRO 186 Cb -0.08 -1.77 -0.05 0.00 0.02 0.00 0.00 34.50 32.62 1mqe s PRO 186 CO 0.08 -2.61 -0.13 1.03 -0.33 0.00 0.00 177.00 175.04 1mqe s ARG 187 N -5.15 1.50 0.53 5.54 0.52 0.24 -4.93 118.95 117.20 1mqe s ARG 187 Ca 0.65 -1.70 -0.22 0.00 -0.52 0.00 0.00 55.73 53.94 1mqe s ARG 187 Cb -0.16 -1.31 -0.05 0.00 0.52 0.00 0.00 34.95 33.95 1mqe s ARG 187 CO 0.56 0.17 1.36 -2.14 0.02 0.00 0.00 175.30 175.27 1mqe s PRO 188 N -3.63 3.23 0.60 3.54 0.02 -1.26 0.13 135.00 137.63 1mqe s PRO 188 Ca 0.27 2.24 0.32 0.00 0.02 0.00 0.00 61.00 63.85 1mqe s PRO 188 Cb -0.00 -2.31 1.91 0.00 0.02 0.00 0.00 34.50 34.12 1mqe s PRO 188 CO 0.11 -1.12 2.26 -0.07 -0.33 0.00 0.00 177.00 177.85 1mqe h LEU 189 N 1.59 0.00 -1.25 -5.54 3.38 -1.91 -1.17 115.31 110.40 1mqe h LEU 189 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1mqe h LEU 189 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1mqe h LEU 189 CO 0.58 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.21 1mqe n ASP 190 N -3.72 1.77 -4.74 -0.43 5.68 -1.26 -4.89 116.55 108.96 1mqe n ASP 190 Ca -0.03 -2.12 -0.41 0.00 -0.50 0.00 0.00 54.79 51.73 1mqe n ASP 190 Cb 0.10 -0.31 -0.02 0.00 -1.14 0.00 0.00 41.12 39.74 1mqe n ASP 190 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1mqe s THR 191 N -1.64 2.42 0.27 2.12 2.01 -0.44 -4.92 115.64 115.46 1mqe s THR 191 Ca 0.17 0.35 -0.30 0.00 0.31 0.00 0.00 61.69 62.21 1mqe s THR 191 Cb 0.10 -3.22 -0.11 0.00 0.01 0.00 0.00 72.50 69.28 1mqe s THR 191 CO 0.09 0.05 1.54 -1.83 -0.69 0.00 0.00 174.62 173.78 1mqe s GLU 192 N -0.23 4.17 -0.88 4.92 -1.05 -1.26 -4.94 118.70 119.43 1mqe s GLU 192 Ca 0.62 2.48 -0.07 0.00 -0.15 0.00 0.00 54.97 57.85 1mqe s GLU 192 Cb -0.44 -3.06 0.22 0.00 -0.44 0.00 0.00 34.13 30.41 1mqe s GLU 192 CO 0.43 -0.56 0.80 -0.46 0.95 0.00 0.00 175.26 176.42 1mqe s TRP 193 N 0.05 3.86 0.21 4.83 -0.11 -1.26 -4.96 118.94 121.56 1mqe s TRP 193 Ca 0.62 -2.62 -0.15 0.00 1.22 0.00 0.00 56.10 55.17 1mqe s TRP 193 Cb -0.46 -3.54 0.24 0.00 -1.50 0.00 0.00 33.47 28.22 1mqe s TRP 193 CO 0.46 -0.88 1.60 0.82 -4.62 0.00 0.00 176.95 174.33 1mqe h ILE 194 N 4.38 0.24 -0.62 5.86 2.04 -2.04 -2.83 117.51 124.55 1mqe h ILE 194 Ca 0.12 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.91 1mqe h ILE 194 Cb 0.91 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1mqe h ILE 194 CO 0.84 0.00 0.09 0.47 0.00 0.00 0.00 178.15 179.55 1mqe n ASP 195 N -5.47 5.37 -4.68 1.72 8.00 -1.26 -4.98 116.55 115.25 1mqe n ASP 195 Ca 0.08 -3.00 -0.47 0.00 0.71 0.00 0.00 54.79 52.11 1mqe n ASP 195 Cb 0.37 -0.70 -0.04 0.00 -0.02 0.00 0.00 41.12 40.72 1mqe n ASP 195 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1mqe n ARG 196 N 0.38 2.20 -1.74 -1.24 0.63 -1.07 -4.52 116.66 111.30 1mqe n ARG 196 Ca 0.31 0.80 -0.38 0.00 -0.92 0.00 0.00 57.85 57.67 1mqe n ARG 196 Cb 1.24 -2.63 0.05 0.00 0.45 0.00 0.00 32.46 31.57 1mqe n ARG 196 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1mqe n PRO 197 N 5.82 1.50 0.00 -0.14 -0.02 -1.26 -4.94 135.00 135.95 1mqe n PRO 197 Ca 0.21 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1mqe n PRO 197 Cb 0.30 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1mqe n PRO 197 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1mqe n THR 198 N -1.35 0.00 0.06 3.45 -2.24 -1.26 -4.88 114.28 108.06 1mqe n THR 198 Ca 0.12 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.77 1mqe n THR 198 Cb 0.46 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 1mqe n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mqe h ALA 199 N 0.00 -0.61 -0.23 6.98 0.00 -1.92 -0.20 119.26 123.28 1mqe h ALA 199 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1mqe h ALA 199 Cb 0.00 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1mqe h ALA 199 CO 0.00 -0.92 0.14 0.35 0.00 0.00 0.00 179.25 178.82 1mqe h PHE 200 N -0.55 0.31 -0.97 0.00 3.57 -1.87 -2.35 116.94 115.09 1mqe h PHE 200 Ca 0.05 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1mqe h PHE 200 Cb 0.63 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.21 1mqe h PHE 200 CO -0.40 0.24 0.63 0.00 -2.23 0.00 0.00 178.31 176.56 1mqe h ALA 201 N 1.04 1.27 -0.68 2.41 0.00 -1.82 -1.17 119.26 120.31 1mqe h ALA 201 Ca 0.08 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.05 1mqe h ALA 201 Cb 0.03 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1mqe h ALA 201 CO -0.02 0.52 0.45 0.00 0.00 0.00 0.00 179.25 180.21 1mqe h ALA 202 N 1.39 1.95 -0.88 0.00 0.00 -0.52 -1.24 119.26 119.96 1mqe h ALA 202 Ca 0.38 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.31 1mqe h ALA 202 Cb -0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1mqe h ALA 202 CO -0.12 -0.10 0.58 0.00 0.00 0.00 0.00 179.25 179.61 1mqe h ARG 203 N 0.51 1.10 -6.29 0.00 3.08 -0.78 -3.47 114.38 108.53 1mqe h ARG 203 Ca 0.32 -0.07 -0.45 0.00 0.07 0.00 0.00 59.98 59.85 1mqe h ARG 203 Cb 0.56 -0.25 0.07 0.00 0.08 0.00 0.00 29.97 30.43 1mqe h ARG 203 CO -0.10 0.73 -0.94 0.54 -1.07 0.00 0.00 179.97 179.12 1mqe n ARG 204 N -4.43 -1.30 -1.40 0.04 1.74 -0.47 -4.83 116.66 106.01 1mqe n ARG 204 Ca 0.11 0.42 -0.29 0.00 -0.77 0.00 0.00 57.85 57.32 1mqe n ARG 204 Cb 0.07 -4.03 -0.07 0.00 -1.02 0.00 0.00 32.46 27.41 1mqe n ARG 204 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mqe n ALA 205 N -4.27 6.88 -3.76 7.54 0.00 -1.26 -4.84 120.51 120.80 1mqe n ALA 205 Ca -0.11 -3.08 -0.24 0.00 0.00 0.00 0.00 53.44 50.01 1mqe n ALA 205 Cb 0.59 -2.73 -0.17 0.00 0.00 0.00 0.00 19.45 17.15 1mqe n ALA 205 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1mqe s GLU 206 N 0.43 1.16 0.00 0.00 2.02 -1.26 -5.13 118.70 115.91 1mqe s GLU 206 Ca 0.64 -0.15 0.28 0.00 0.02 0.00 0.00 54.97 55.76 1mqe s GLU 206 Cb 0.26 -1.25 1.05 0.00 0.10 0.00 0.00 34.13 34.29 1mqe s GLU 206 CO -0.08 -0.20 1.75 -2.13 0.02 0.00 0.00 175.26 174.61