#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qjm s LYS 2 N 0.00 0.58 -0.06 2.12 1.02 -1.26 -4.15 119.74 118.00 2qjm s LYS 2 Ca 0.00 -1.04 -0.28 0.00 0.02 0.00 0.00 55.97 54.67 2qjm s LYS 2 Cb 0.00 0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.30 2qjm s LYS 2 CO 0.00 -0.05 0.90 0.42 -0.92 0.00 0.00 175.35 175.70 2qjm s ILE 3 N -2.93 4.89 -0.18 2.17 1.01 -0.33 -2.34 121.20 123.50 2qjm s ILE 3 Ca 0.00 1.87 0.17 0.00 0.00 0.00 0.00 60.65 62.69 2qjm s ILE 3 Cb 0.01 -4.23 -0.25 0.00 0.01 0.00 0.00 42.46 38.00 2qjm s ILE 3 CO -0.05 0.13 0.44 0.35 0.00 0.00 0.00 174.94 175.82 2qjm n THR 4 N 4.10 0.00 -3.56 2.92 -2.24 0.63 -0.78 114.28 115.34 2qjm n THR 4 Ca 0.05 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 2qjm n THR 4 Cb 0.50 0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 68.97 2qjm n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qjm s ALA 5 N -3.06 -1.88 -0.34 6.98 0.00 -1.17 -4.95 121.76 117.34 2qjm s ALA 5 Ca -0.04 1.51 -0.00 0.00 0.00 0.00 0.00 51.96 53.43 2qjm s ALA 5 Cb 0.11 -0.51 0.13 0.00 0.00 0.00 0.00 23.12 22.86 2qjm s ALA 5 CO 0.71 -0.33 0.21 0.00 0.00 0.00 0.00 175.76 176.35 2qjm s ALA 6 N -1.09 0.69 0.02 0.00 0.00 -1.26 0.17 121.76 120.28 2qjm s ALA 6 Ca -0.05 -1.58 -0.02 0.00 0.00 0.00 0.00 51.96 50.32 2qjm s ALA 6 Cb -0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 2qjm s ALA 6 CO 0.04 -2.01 0.19 1.03 0.00 0.00 0.00 175.76 175.01 2qjm s ARG 7 N 1.35 3.44 -0.18 0.00 0.52 -0.28 -4.86 118.95 118.93 2qjm s ARG 7 Ca 0.16 -0.37 -0.06 0.00 -0.52 0.00 0.00 55.73 54.94 2qjm s ARG 7 Cb -0.21 -3.07 -0.03 0.00 0.52 0.00 0.00 34.95 32.16 2qjm s ARG 7 CO -0.08 0.65 0.02 0.08 0.02 0.00 0.00 175.30 175.99 2qjm s VAL 8 N -1.40 4.35 -0.11 3.52 1.01 -1.26 -0.72 120.40 125.79 2qjm s VAL 8 Ca 0.30 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.12 2qjm s VAL 8 Cb -0.13 -2.94 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 2qjm s VAL 8 CO 0.22 0.47 -0.21 -0.63 0.00 0.00 0.00 175.10 174.95 2qjm s ILE 9 N 0.47 2.27 -0.09 2.22 1.01 0.78 -4.97 121.20 122.89 2qjm s ILE 9 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.73 2qjm s ILE 9 Cb -0.13 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 2qjm s ILE 9 CO 0.02 0.55 -0.14 -0.63 0.00 0.00 0.00 174.94 174.74 2qjm s ILE 10 N 0.41 3.06 0.01 2.92 1.01 -1.26 -0.72 121.20 126.63 2qjm s ILE 10 Ca -0.16 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 59.63 2qjm s ILE 10 Cb -0.17 -2.24 0.03 0.00 0.01 0.00 0.00 42.46 40.09 2qjm s ILE 10 CO 0.07 0.56 0.38 0.28 0.00 0.00 0.00 174.94 176.22 2qjm s THR 11 N -0.23 0.06 -0.47 2.92 -1.32 -0.90 -4.75 115.64 110.95 2qjm s THR 11 Ca 0.01 -0.46 0.08 0.00 -1.21 0.00 0.00 61.69 60.10 2qjm s THR 11 Cb -0.13 -0.81 0.26 0.00 -1.51 0.00 0.00 72.50 70.31 2qjm s THR 11 CO 0.03 -0.25 0.61 0.00 -2.21 0.00 0.00 174.62 172.80 2qjm n PRO 13 N 1.13 4.17 0.00 0.00 -0.04 -1.26 -4.22 135.00 134.78 2qjm n PRO 13 Ca 0.24 -3.53 0.00 0.00 -0.04 0.00 0.00 63.50 60.17 2qjm n PRO 13 Cb 0.50 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 2qjm n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qjm n GLY 14 N 2.17 1.65 3.68 0.55 0.00 -1.26 -3.26 105.19 108.72 2qjm n GLY 14 Ca 0.51 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 2qjm n GLY 14 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qjm s ARG 15 N 0.00 0.96 0.23 1.61 1.70 -1.26 -5.09 118.95 117.11 2qjm s ARG 15 Ca 0.00 -0.50 -0.30 0.00 -0.47 0.00 0.00 55.73 54.46 2qjm s ARG 15 Cb 0.00 0.35 -0.09 0.00 -0.57 0.00 0.00 34.95 34.64 2qjm s ARG 15 CO 0.00 -0.44 1.10 -0.80 -1.08 0.00 0.00 175.30 174.08 2qjm s ASN 16 N -2.83 7.27 -0.01 -2.89 0.01 -1.26 -4.10 114.94 111.12 2qjm s ASN 16 Ca 0.11 2.19 0.00 0.00 -0.71 0.00 0.00 52.86 54.45 2qjm s ASN 16 Cb -0.00 -2.62 0.01 0.00 0.41 0.00 0.00 41.25 39.05 2qjm s ASN 16 CO -0.01 -0.18 0.01 -0.36 -1.51 0.00 0.00 177.10 175.05 2qjm s PHE 17 N -0.73 0.03 -0.11 2.20 0.08 -0.10 -4.98 117.98 114.37 2qjm s PHE 17 Ca 0.47 0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.58 2qjm s PHE 17 Cb -0.31 -0.10 -0.01 0.00 -0.57 0.00 0.00 43.02 42.03 2qjm s PHE 17 CO 0.38 -0.04 -0.17 0.08 -0.10 0.00 0.00 175.22 175.37 2qjm s VAL 18 N 0.42 2.70 0.03 -0.44 1.01 -1.26 -2.12 120.40 120.74 2qjm s VAL 18 Ca -0.04 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.20 2qjm s VAL 18 Cb -0.05 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 2qjm s VAL 18 CO -0.01 0.54 -0.16 -0.89 0.00 0.00 0.00 175.10 174.59 2qjm s THR 19 N 0.23 1.24 -0.13 3.92 2.01 0.11 -1.25 115.64 121.77 2qjm s THR 19 Ca -0.11 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 60.92 2qjm s THR 19 Cb -0.16 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 2qjm s THR 19 CO 0.06 0.12 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.83 2qjm s LEU 20 N -0.96 3.09 -0.18 4.42 2.96 -0.21 -0.16 118.68 127.65 2qjm s LEU 20 Ca 0.04 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2qjm s LEU 20 Cb -0.07 -1.72 0.03 0.00 0.50 0.00 0.00 46.19 44.93 2qjm s LEU 20 CO 0.01 0.21 -0.15 -0.75 -1.32 0.00 0.00 176.35 174.35 2qjm s LYS 21 N 0.08 2.49 -0.26 1.98 2.20 0.10 -0.90 119.74 125.44 2qjm s LYS 21 Ca -0.02 -0.77 -0.10 0.00 -0.36 0.00 0.00 55.97 54.72 2qjm s LYS 21 Cb -0.14 -2.39 -0.04 0.00 -1.51 0.00 0.00 37.83 33.74 2qjm s LYS 21 CO 0.03 -0.29 0.15 0.42 -0.36 0.00 0.00 175.35 175.30 2qjm s ILE 22 N 1.37 4.97 0.17 5.43 1.01 0.69 -1.13 121.20 133.71 2qjm s ILE 22 Ca 0.03 0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.78 2qjm s ILE 22 Cb -0.14 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 2qjm s ILE 22 CO -0.11 0.29 0.14 -1.61 0.00 0.00 0.00 174.94 173.65 2qjm s GLU 23 N 1.62 2.89 0.34 2.79 2.02 0.13 -1.30 118.70 127.19 2qjm s GLU 23 Ca 0.07 -0.88 0.03 0.00 0.02 0.00 0.00 54.97 54.21 2qjm s GLU 23 Cb -0.15 -2.64 -0.05 0.00 0.10 0.00 0.00 34.13 31.39 2qjm s GLU 23 CO 0.08 0.48 0.09 0.95 0.02 0.00 0.00 175.26 176.88 2qjm s THR 24 N -1.76 0.89 -0.51 3.63 -4.23 -1.20 -0.27 115.64 112.18 2qjm s THR 24 Ca 0.31 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.88 2qjm s THR 24 Cb -0.10 -2.61 0.41 0.00 1.34 0.00 0.00 72.50 71.54 2qjm s THR 24 CO 0.23 0.00 1.24 -0.90 -0.54 0.00 0.00 174.62 174.65 2qjm n ASP 25 N -0.87 3.46 0.00 3.99 5.68 -0.99 -3.59 116.55 124.23 2qjm n ASP 25 Ca -0.03 -2.58 0.00 0.00 -0.50 0.00 0.00 54.79 51.68 2qjm n ASP 25 Cb 0.66 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 2qjm n ASP 25 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qjm n GLN 26 N 0.16 -0.02 0.00 0.11 1.13 -1.26 -4.98 117.38 112.52 2qjm n GLN 26 Ca 0.19 -0.71 0.00 0.00 -1.94 0.00 0.00 57.00 54.54 2qjm n GLN 26 Cb 0.84 -0.97 0.00 0.00 0.11 0.00 0.00 30.24 30.22 2qjm n GLN 26 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qjm n GLY 27 N -0.11 2.54 3.76 1.08 0.00 -1.24 -5.01 105.19 106.21 2qjm n GLY 27 Ca 0.00 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 2qjm n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qjm s VAL 28 N -0.26 2.59 0.09 1.61 0.11 -1.26 -4.82 120.40 118.46 2qjm s VAL 28 Ca 0.00 0.46 -0.02 0.00 -2.93 0.00 0.00 61.98 59.49 2qjm s VAL 28 Cb 0.00 -3.24 -0.03 0.00 -1.53 0.00 0.00 36.38 31.57 2qjm s VAL 28 CO 0.00 0.01 0.04 -0.72 -3.33 0.00 0.00 175.10 171.11 2qjm s TYR 29 N -1.39 0.61 0.07 1.54 -0.85 -1.26 -3.28 117.35 112.79 2qjm s TYR 29 Ca 0.65 -1.07 0.02 0.00 -0.52 0.00 0.00 57.07 56.15 2qjm s TYR 29 Cb -0.35 -0.37 -0.03 0.00 0.38 0.00 0.00 41.96 41.58 2qjm s TYR 29 CO 0.43 -0.47 -0.07 0.20 -1.52 0.00 0.00 175.55 174.12 2qjm s GLY 30 N -2.97 0.65 0.10 5.49 0.00 -0.42 -4.57 107.32 105.60 2qjm s GLY 30 Ca 0.14 -1.11 0.06 0.00 0.00 0.00 0.00 44.72 43.81 2qjm s GLY 30 CO -0.05 -1.19 -0.15 -0.26 0.00 0.00 0.00 173.10 171.46 2qjm s ILE 31 N -2.71 1.25 0.02 0.90 -4.36 -1.26 -0.22 121.20 114.82 2qjm s ILE 31 Ca 0.03 -1.51 -0.04 0.00 -0.26 0.00 0.00 60.65 58.87 2qjm s ILE 31 Cb -0.01 -1.31 -0.01 0.00 1.25 0.00 0.00 42.46 42.38 2qjm s ILE 31 CO -0.03 -0.30 0.07 -0.83 0.24 0.00 0.00 174.94 174.09 2qjm s GLY 32 N -2.07 0.16 0.17 6.27 0.00 -0.07 -3.09 107.32 108.69 2qjm s GLY 32 Ca 0.03 -0.46 -0.26 0.00 0.00 0.00 0.00 44.72 44.03 2qjm s GLY 32 CO 0.03 -0.57 0.82 -0.35 0.00 0.00 0.00 173.10 173.02 2qjm s ASP 33 N -1.73 7.43 -0.03 1.64 2.15 -1.26 -1.04 116.67 123.82 2qjm s ASP 33 Ca -0.11 1.70 0.05 0.00 0.43 0.00 0.00 52.55 54.62 2qjm s ASP 33 Cb -0.05 -2.52 0.07 0.00 -0.30 0.00 0.00 42.92 40.12 2qjm s ASP 33 CO -0.02 0.17 0.95 0.00 -0.17 0.00 0.00 175.17 176.10 2qjm n ALA 34 N 1.75 1.89 -2.16 3.66 0.00 -0.38 -3.24 120.51 122.03 2qjm n ALA 34 Ca -0.04 -1.32 -0.42 0.00 0.00 0.00 0.00 53.44 51.66 2qjm n ALA 34 Cb 0.48 -0.33 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 2qjm n ALA 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qjm s THR 35 N -0.81 3.56 -0.35 0.00 2.01 -1.22 -4.77 115.64 114.06 2qjm s THR 35 Ca 0.08 0.96 0.02 0.00 0.31 0.00 0.00 61.69 63.06 2qjm s THR 35 Cb 0.07 -3.62 0.11 0.00 0.01 0.00 0.00 72.50 69.07 2qjm s THR 35 CO 0.01 -0.00 0.11 -0.22 -0.69 0.00 0.00 174.62 173.83 2qjm s LEU 36 N 2.44 3.35 -0.10 4.42 2.96 -1.26 -4.94 118.68 125.54 2qjm s LEU 36 Ca 0.66 -2.05 -0.38 0.00 -0.22 0.00 0.00 54.13 52.14 2qjm s LEU 36 Cb -0.33 -1.21 -0.15 0.00 0.50 0.00 0.00 46.19 44.99 2qjm s LEU 36 CO 0.28 -0.37 1.63 -3.20 -1.32 0.00 0.00 176.35 173.36 2qjm n ASN 37 N 4.34 2.36 0.00 3.68 5.15 -1.26 -1.28 115.26 128.25 2qjm n ASN 37 Ca 0.02 1.07 0.00 0.00 -0.60 0.00 0.00 54.58 55.08 2qjm n ASN 37 Cb 0.40 -1.21 0.00 0.00 -0.53 0.00 0.00 39.78 38.44 2qjm n ASN 37 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qjm n GLY 38 N 3.65 1.96 1.28 8.20 0.00 -1.25 -4.75 105.19 114.27 2qjm n GLY 38 Ca 0.23 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.26 2qjm n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qjm n ARG 39 N -2.00 0.00 -0.20 1.61 5.12 -0.51 -4.87 116.66 115.81 2qjm n ARG 39 Ca 0.00 -1.65 -0.01 0.00 -1.93 0.00 0.00 57.85 54.25 2qjm n ARG 39 Cb 0.00 0.06 0.05 0.00 -1.16 0.00 0.00 32.46 31.41 2qjm n ARG 39 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2qjm h GLU 40 N 0.68 -0.01 0.00 5.56 3.07 -1.48 -2.68 114.58 119.72 2qjm h GLU 40 Ca -0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 2qjm h GLU 40 Cb 1.73 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.64 2qjm h GLU 40 CO 0.01 -0.01 0.00 -0.07 -1.40 0.00 0.00 179.01 177.54 2qjm h LEU 41 N -0.01 0.00 -0.30 1.33 3.38 -1.94 -2.42 115.31 115.35 2qjm h LEU 41 Ca 0.28 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.06 2qjm h LEU 41 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2qjm h LEU 41 CO -0.62 0.00 -0.86 0.77 0.09 0.00 0.00 178.44 177.83 2qjm h SER 42 N 0.00 0.32 0.39 -0.43 4.64 -1.88 -2.36 113.55 114.24 2qjm h SER 42 Ca 0.00 -0.25 -0.17 0.00 -0.47 0.00 0.00 61.79 60.90 2qjm h SER 42 Cb 0.20 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2qjm h SER 42 CO 0.00 1.04 -0.72 0.58 -0.87 0.00 0.00 176.83 176.85 2qjm h VAL 43 N 0.15 1.42 -0.44 0.95 2.07 -1.56 -0.88 116.25 117.95 2qjm h VAL 43 Ca -0.05 -2.22 -0.01 0.00 0.82 0.00 0.00 66.70 65.25 2qjm h VAL 43 Cb 1.47 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 33.39 2qjm h VAL 43 CO 0.14 0.65 0.25 0.58 0.02 0.00 0.00 177.57 179.21 2qjm h VAL 44 N 0.19 1.15 -0.21 2.57 2.07 -1.39 -1.37 116.25 119.26 2qjm h VAL 44 Ca -0.02 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 2qjm h VAL 44 Cb 1.28 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2qjm h VAL 44 CO 0.12 0.16 -0.07 0.00 0.02 0.00 0.00 177.57 177.79 2qjm h ALA 45 N 1.10 0.28 -0.48 1.67 0.00 -1.32 0.11 119.26 120.62 2qjm h ALA 45 Ca 0.16 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.89 2qjm h ALA 45 Cb 0.03 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.66 2qjm h ALA 45 CO -0.03 0.09 -0.10 -0.92 0.00 0.00 0.00 179.25 178.29 2qjm h TYR 46 N 0.12 -0.21 0.28 0.00 3.20 -0.98 0.27 116.97 119.64 2qjm h TYR 46 Ca 0.05 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 2qjm h TYR 46 Cb 0.53 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.97 2qjm h TYR 46 CO 0.06 -0.19 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.18 2qjm h LEU 47 N 0.02 -0.32 -0.22 2.82 3.38 -1.21 -2.39 115.31 117.39 2qjm h LEU 47 Ca 0.23 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.02 2qjm h LEU 47 Cb 0.36 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2qjm h LEU 47 CO -0.48 0.16 0.10 -0.61 0.09 0.00 0.00 178.44 177.70 2qjm h GLN 48 N -0.94 0.21 0.00 1.13 4.15 -0.64 0.14 115.11 119.15 2qjm h GLN 48 Ca -0.04 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.24 2qjm h GLN 48 Cb 0.50 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 2qjm h GLN 48 CO 0.06 0.14 -0.99 0.93 -1.93 0.00 0.00 178.83 177.04 2qjm h GLU 49 N 0.21 0.00 0.00 1.69 4.39 -0.63 -3.42 114.58 116.82 2qjm h GLU 49 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2qjm h GLU 49 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2qjm h GLU 49 CO -0.08 0.35 -0.62 0.72 -1.16 0.00 0.00 179.01 178.23 2qjm n HIS 50 N -3.01 -0.09 -0.01 4.33 8.25 -1.00 -4.85 115.22 118.83 2qjm n HIS 50 Ca -0.04 0.02 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 2qjm n HIS 50 Cb 0.77 0.06 -0.10 0.00 1.12 0.00 0.00 29.99 31.83 2qjm n HIS 50 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2qjm h VAL 51 N 0.00 1.38 -0.56 1.59 2.07 -1.28 -3.35 116.25 116.10 2qjm h VAL 51 Ca 0.00 -1.38 0.11 0.00 0.82 0.00 0.00 66.70 66.25 2qjm h VAL 51 Cb 0.62 2.29 -0.11 0.00 -1.52 0.00 0.00 31.29 32.57 2qjm h VAL 51 CO 0.00 0.35 -0.19 0.00 0.02 0.00 0.00 177.57 177.75 2qjm h ALA 52 N 0.27 0.27 -0.86 1.67 0.00 -0.99 -1.18 119.26 118.43 2qjm h ALA 52 Ca -0.00 0.21 0.19 0.00 0.00 0.00 0.00 54.91 55.30 2qjm h ALA 52 Cb 0.60 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 2qjm h ALA 52 CO 0.01 -0.50 0.57 -1.35 0.00 0.00 0.00 179.25 177.98 2qjm h PRO 53 N -0.06 0.41 0.00 0.00 0.11 -1.80 -0.59 132.00 130.08 2qjm h PRO 53 Ca 0.26 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.25 2qjm h PRO 53 Cb 0.46 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 2qjm h PRO 53 CO -0.60 0.27 -0.45 0.00 -0.21 0.00 0.00 178.00 177.01 2qjm h LEU 55 N 0.00 0.00 -9.32 0.00 3.38 -0.84 -3.44 115.31 105.10 2qjm h LEU 55 Ca -0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.34 2qjm h LEU 55 Cb 1.13 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.91 2qjm h LEU 55 CO 0.06 0.55 0.98 -0.38 0.09 0.00 0.00 178.44 179.73 2qjm n ILE 56 N -3.72 0.38 0.00 1.22 2.08 -1.16 -1.31 119.36 116.85 2qjm n ILE 56 Ca -0.01 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.23 2qjm n ILE 56 Cb 0.59 -1.68 0.00 0.00 -0.75 0.00 0.00 39.64 37.80 2qjm n ILE 56 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2qjm n GLY 57 N 4.05 1.80 3.83 7.39 0.00 0.04 -4.95 105.19 117.34 2qjm n GLY 57 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 2qjm n GLY 57 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qjm s MET 58 N -0.66 3.35 -0.49 1.61 -1.94 -0.42 -4.55 119.30 116.20 2qjm s MET 58 Ca 0.00 1.00 -0.29 0.00 -1.71 0.00 0.00 55.69 54.69 2qjm s MET 58 Cb 0.00 -2.04 0.03 0.00 2.01 0.00 0.00 34.83 34.83 2qjm s MET 58 CO 0.00 -0.77 1.14 0.34 -0.01 0.00 0.00 175.02 175.72 2qjm s ASP 59 N -3.40 6.62 0.61 3.03 3.68 -1.26 -1.19 116.67 124.76 2qjm s ASP 59 Ca 0.59 0.44 0.39 0.00 2.13 0.00 0.00 52.55 56.10 2qjm s ASP 59 Cb -0.13 -2.55 2.10 0.00 -1.45 0.00 0.00 42.92 40.89 2qjm s ASP 59 CO 0.45 -1.27 2.18 1.55 0.13 0.00 0.00 175.17 178.20 2qjm h PRO 60 N 9.26 0.00 0.00 4.34 0.13 -1.89 -2.06 132.00 141.78 2qjm h PRO 60 Ca -0.23 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2qjm h PRO 60 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2qjm h PRO 60 CO 1.13 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.89 2qjm h ARG 61 N 0.00 0.00 -3.50 0.86 3.08 -1.91 -3.36 114.38 109.55 2qjm h ARG 61 Ca 0.00 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 59.31 2qjm h ARG 61 Cb 0.11 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.05 2qjm h ARG 61 CO 0.00 0.01 2.52 0.54 -1.07 0.00 0.00 179.97 181.97 2qjm n ARG 62 N -3.10 3.53 -0.10 0.04 1.74 -0.78 -4.77 116.66 113.22 2qjm n ARG 62 Ca 0.02 -3.16 -0.08 0.00 -0.77 0.00 0.00 57.85 53.86 2qjm n ARG 62 Cb 0.40 -2.98 0.00 0.00 -1.02 0.00 0.00 32.46 28.86 2qjm n ARG 62 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2qjm h ILE 63 N 3.62 1.02 -0.14 0.55 2.04 -1.85 -1.39 117.51 121.36 2qjm h ILE 63 Ca 0.51 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 66.23 2qjm h ILE 63 Cb 0.57 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2qjm h ILE 63 CO 1.70 0.07 0.04 -0.08 0.00 0.00 0.00 178.15 179.88 2qjm h GLU 64 N 0.39 0.22 -0.46 2.37 4.57 -1.96 -1.37 114.58 118.34 2qjm h GLU 64 Ca 0.14 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.30 2qjm h GLU 64 Cb 0.02 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 2qjm h GLU 64 CO -0.08 0.36 0.24 0.22 -1.18 0.00 0.00 179.01 178.58 2qjm h ASP 65 N 0.04 0.36 -0.60 1.04 3.58 -1.93 -1.03 116.42 117.88 2qjm h ASP 65 Ca 0.04 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.44 2qjm h ASP 65 Cb 0.24 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 2qjm h ASP 65 CO -0.00 0.25 0.08 0.40 -2.88 0.00 0.00 179.24 177.10 2qjm h ILE 66 N 0.48 1.26 0.23 2.25 2.04 -1.17 0.13 117.51 122.72 2qjm h ILE 66 Ca 0.20 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 2qjm h ILE 66 Cb 0.09 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2qjm h ILE 66 CO -0.13 0.38 -0.15 -0.25 0.00 0.00 0.00 178.15 178.01 2qjm h TRP 67 N 0.96 -0.38 -1.00 1.37 7.01 -0.76 -0.37 115.95 122.79 2qjm h TRP 67 Ca 0.19 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.21 2qjm h TRP 67 Cb 0.44 0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.58 2qjm h TRP 67 CO 0.03 -0.23 0.66 1.96 -2.79 0.00 0.00 178.44 178.07 2qjm h GLN 68 N -0.36 1.27 0.12 2.65 1.08 -0.99 0.17 115.11 119.04 2qjm h GLN 68 Ca -0.02 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2qjm h GLN 68 Cb 0.31 -0.29 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2qjm h GLN 68 CO 0.02 0.84 -0.06 -0.92 -0.95 0.00 0.00 178.83 177.75 2qjm h TYR 69 N 1.31 -0.16 -0.26 2.96 3.20 -0.24 0.21 116.97 123.98 2qjm h TYR 69 Ca 0.39 -0.00 -0.15 0.00 3.14 0.00 0.00 58.73 62.10 2qjm h TYR 69 Cb -0.06 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 2qjm h TYR 69 CO -0.00 -0.10 -0.46 0.28 -1.64 0.00 0.00 178.16 176.23 2qjm h VAL 70 N -0.17 1.30 0.52 1.81 2.07 -0.82 0.28 116.25 121.25 2qjm h VAL 70 Ca -0.01 -1.66 -0.03 0.00 0.82 0.00 0.00 66.70 65.82 2qjm h VAL 70 Cb 0.13 1.59 0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2qjm h VAL 70 CO 0.02 0.53 -0.25 0.22 0.02 0.00 0.00 177.57 178.11 2qjm h TYR 71 N 0.55 -0.65 -0.11 1.57 3.20 -0.53 -3.14 116.97 117.86 2qjm h TYR 71 Ca 0.03 -0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.69 2qjm h TYR 71 Cb 1.01 0.21 0.01 0.00 1.54 0.00 0.00 36.73 39.51 2qjm h TYR 71 CO 0.05 -0.35 -0.71 0.00 -1.64 0.00 0.00 178.16 175.51 2qjm h ARG 72 N -1.12 0.68 -0.13 1.82 3.08 -0.69 -3.29 114.38 114.74 2qjm h ARG 72 Ca -0.07 -0.58 0.04 0.00 0.07 0.00 0.00 59.98 59.43 2qjm h ARG 72 Cb 0.58 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2qjm h ARG 72 CO 0.12 1.19 0.16 0.78 -1.07 0.00 0.00 179.97 181.15 2qjm h GLY 73 N 0.36 0.00 2.00 0.04 0.00 -0.51 -1.18 103.07 103.78 2qjm h GLY 73 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2qjm h GLY 73 CO 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.55 2qjm h ALA 74 N 1.80 1.23 0.00 3.60 0.00 -1.61 -3.46 119.26 120.82 2qjm h ALA 74 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qjm h ALA 74 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2qjm h ALA 74 CO -0.00 0.17 0.00 0.98 0.00 0.00 0.00 179.25 180.40 2qjm n TYR 75 N -3.58 0.00 -2.83 0.00 9.36 -0.45 -4.78 117.16 114.88 2qjm n TYR 75 Ca -0.01 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.78 2qjm n TYR 75 Cb 0.27 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.94 2qjm n TYR 75 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2qjm s TRP 76 N 0.00 2.73 0.40 2.98 0.52 -1.26 -5.01 118.94 119.30 2qjm s TRP 76 Ca 0.00 -0.16 -0.05 0.00 0.02 0.00 0.00 56.10 55.90 2qjm s TRP 76 Cb 0.00 -4.16 -0.05 0.00 -1.15 0.00 0.00 33.47 28.12 2qjm s TRP 76 CO 0.00 -1.47 0.69 1.03 0.02 0.00 0.00 176.95 177.22 2qjm s ARG 77 N 4.07 3.61 0.94 4.98 0.52 -1.26 -4.99 118.95 126.81 2qjm s ARG 77 Ca 0.28 0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.63 2qjm s ARG 77 Cb -0.13 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 32.85 2qjm s ARG 77 CO 0.17 -0.02 0.00 0.54 0.02 0.00 0.00 175.30 176.01 2qjm n ARG 78 N -1.67 -0.93 0.00 3.54 1.74 -1.26 -5.09 116.66 112.99 2qjm n ARG 78 Ca -0.00 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 2qjm n ARG 78 Cb 0.55 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 2qjm n ARG 78 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qjm n GLY 79 N -1.53 2.66 0.34 -0.13 0.00 -1.26 -4.51 105.19 100.76 2qjm n GLY 79 Ca 0.00 -1.70 -0.02 0.00 0.00 0.00 0.00 46.02 44.30 2qjm n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qjm h PRO 80 N 0.00 1.06 -0.02 1.61 0.13 -1.93 -0.35 132.00 132.50 2qjm h PRO 80 Ca 0.00 -0.12 -0.03 0.00 -0.87 0.00 0.00 66.00 64.99 2qjm h PRO 80 Cb 0.00 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 30.92 2qjm h PRO 80 CO 0.00 0.77 -0.09 0.28 -0.23 0.00 0.00 178.00 178.73 2qjm h VAL 81 N 1.06 1.51 -0.04 1.56 2.07 -1.98 -2.54 116.25 117.89 2qjm h VAL 81 Ca 0.27 -1.63 0.03 0.00 0.82 0.00 0.00 66.70 66.18 2qjm h VAL 81 Cb 0.03 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 2qjm h VAL 81 CO -0.04 0.44 -0.12 0.74 0.02 0.00 0.00 177.57 178.60 2qjm h THR 82 N -0.53 0.69 0.00 2.57 2.02 -1.77 -2.52 112.91 113.37 2qjm h THR 82 Ca -0.01 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 2qjm h THR 82 Cb 0.76 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2qjm h THR 82 CO 0.02 0.00 -0.38 0.24 0.37 0.00 0.00 175.52 175.77 2qjm h MET 83 N -0.18 0.00 -0.61 6.66 2.86 -1.16 -2.35 114.93 120.15 2qjm h MET 83 Ca 0.06 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 2qjm h MET 83 Cb 0.26 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 2qjm h MET 83 CO -0.15 0.38 -0.00 -0.09 1.06 0.00 0.00 176.91 178.11 2qjm h ARG 84 N 0.00 1.07 -0.43 1.72 9.65 -1.16 0.12 114.38 125.35 2qjm h ARG 84 Ca -0.00 -0.34 -0.07 0.00 -1.10 0.00 0.00 59.98 58.46 2qjm h ARG 84 Cb 0.73 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 2qjm h ARG 84 CO 0.05 1.05 -0.02 0.00 2.80 0.00 0.00 179.97 183.84 2qjm h ALA 85 N 1.00 0.58 -0.49 2.80 0.00 -1.20 -1.90 119.26 120.06 2qjm h ALA 85 Ca 0.17 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2qjm h ALA 85 Cb 0.56 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2qjm h ALA 85 CO 0.03 0.39 0.07 0.82 0.00 0.00 0.00 179.25 180.57 2qjm h ILE 86 N 0.61 1.25 -0.82 0.00 2.04 -1.23 -2.41 117.51 116.95 2qjm h ILE 86 Ca 0.12 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2qjm h ILE 86 Cb 0.52 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 2qjm h ILE 86 CO 0.03 0.33 0.53 0.00 0.00 0.00 0.00 178.15 179.04 2qjm h ALA 87 N 0.96 1.04 -0.29 1.87 0.00 -0.65 0.24 119.26 122.44 2qjm h ALA 87 Ca 0.15 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qjm h ALA 87 Cb 0.40 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2qjm h ALA 87 CO 0.01 0.47 0.17 0.00 0.00 0.00 0.00 179.25 179.90 2qjm h ALA 88 N 1.29 0.37 -0.11 0.00 0.00 -1.16 0.55 119.26 120.19 2qjm h ALA 88 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2qjm h ALA 88 Cb -0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2qjm h ALA 88 CO -0.06 -0.13 0.07 0.28 0.00 0.00 0.00 179.25 179.42 2qjm h VAL 89 N 0.36 1.03 -0.51 0.00 2.07 -1.01 -1.95 116.25 116.23 2qjm h VAL 89 Ca 0.10 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.59 2qjm h VAL 89 Cb 0.03 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2qjm h VAL 89 CO -0.02 0.03 0.31 -0.78 0.02 0.00 0.00 177.57 177.13 2qjm h ASP 90 N 0.15 0.50 -0.41 0.57 3.58 -0.66 -1.32 116.42 118.83 2qjm h ASP 90 Ca 0.04 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.51 2qjm h ASP 90 Cb -0.02 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 2qjm h ASP 90 CO -0.01 0.35 0.26 0.24 -2.88 0.00 0.00 179.24 177.20 2qjm h MET 91 N 0.61 0.51 -0.88 0.28 2.86 -0.70 -0.74 114.93 116.86 2qjm h MET 91 Ca 0.21 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 2qjm h MET 91 Cb 0.02 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 2qjm h MET 91 CO -0.09 0.34 0.47 0.00 1.06 0.00 0.00 176.91 178.68 2qjm h ALA 92 N 1.16 1.14 -0.22 6.32 0.00 -1.03 -0.42 119.26 126.21 2qjm h ALA 92 Ca 0.15 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 2qjm h ALA 92 Cb -0.03 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 2qjm h ALA 92 CO -0.05 0.66 -0.58 -0.07 0.00 0.00 0.00 179.25 179.22 2qjm h LEU 93 N 1.25 0.77 -0.79 0.00 3.38 -0.91 -0.96 115.31 118.04 2qjm h LEU 93 Ca 0.31 -0.42 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 2qjm h LEU 93 Cb 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2qjm h LEU 93 CO -0.05 1.18 -0.40 -0.50 0.09 0.00 0.00 178.44 178.77 2qjm h TRP 94 N 0.52 0.51 -0.25 1.13 4.06 -0.95 0.70 115.95 121.67 2qjm h TRP 94 Ca 0.00 -0.14 -0.00 0.00 2.06 0.00 0.00 58.89 60.81 2qjm h TRP 94 Cb 1.15 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 29.19 2qjm h TRP 94 CO 0.06 0.77 0.14 0.22 -3.56 0.00 0.00 178.44 176.07 2qjm h ASP 95 N 0.36 0.31 -0.51 -3.49 3.58 -0.88 0.71 116.42 116.50 2qjm h ASP 95 Ca 0.03 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 2qjm h ASP 95 Cb 0.85 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.80 2qjm h ASP 95 CO 0.07 0.29 0.20 0.40 -2.88 0.00 0.00 179.24 177.32 2qjm h ILE 96 N 0.30 1.22 -0.51 2.25 2.04 -0.89 -1.72 117.51 120.20 2qjm h ILE 96 Ca 0.09 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 2qjm h ILE 96 Cb 0.05 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2qjm h ILE 96 CO -0.02 0.26 0.31 0.50 0.00 0.00 0.00 178.15 179.20 2qjm h LYS 97 N 0.69 0.69 -0.18 2.37 1.63 -0.49 -0.79 116.57 120.49 2qjm h LYS 97 Ca 0.17 -0.06 -0.10 0.00 -0.85 0.00 0.00 60.65 59.81 2qjm h LYS 97 Cb 0.20 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 2qjm h LYS 97 CO -0.01 0.50 -0.33 0.00 -3.45 0.00 0.00 179.45 176.16 2qjm h ALA 98 N 1.15 1.11 -0.13 5.00 0.00 -0.73 -1.37 119.26 124.29 2qjm h ALA 98 Ca 0.18 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2qjm h ALA 98 Cb -0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2qjm h ALA 98 CO -0.03 0.56 -0.05 0.87 0.00 0.00 0.00 179.25 180.60 2qjm h LYS 99 N 0.31 0.26 -0.11 0.00 1.57 -0.94 -0.75 116.57 116.91 2qjm h LYS 99 Ca 0.04 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2qjm h LYS 99 Cb 0.73 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2qjm h LYS 99 CO 0.06 0.57 0.02 0.52 -0.57 0.00 0.00 179.45 180.05 2qjm h MET 100 N -0.06 0.15 0.00 3.15 2.86 -1.01 0.16 114.93 120.18 2qjm h MET 100 Ca 0.03 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2qjm h MET 100 Cb 0.49 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2qjm h MET 100 CO 0.02 0.15 -0.10 0.00 1.06 0.00 0.00 176.91 178.04 2qjm n ALA 101 N -2.51 2.47 -2.41 6.32 0.00 -0.53 -4.92 120.51 118.92 2qjm n ALA 101 Ca -0.01 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 2qjm n ALA 101 Cb 0.13 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.17 2qjm n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qjm n GLY 102 N 1.40 -0.14 3.16 0.00 0.00 0.57 -5.02 105.19 105.16 2qjm n GLY 102 Ca 0.06 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 2qjm n GLY 102 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qjm s MET 103 N -4.85 0.79 0.53 1.61 -1.94 -0.46 -4.84 119.30 110.14 2qjm s MET 103 Ca 0.06 -1.17 -0.20 0.00 -1.71 0.00 0.00 55.69 52.67 2qjm s MET 103 Cb -0.03 -0.35 -0.07 0.00 2.01 0.00 0.00 34.83 36.40 2qjm s MET 103 CO 0.08 0.03 1.11 -1.25 -0.01 0.00 0.00 175.02 174.98 2qjm s PRO 104 N -3.06 3.48 0.28 2.03 0.04 -1.26 -1.89 135.00 134.62 2qjm s PRO 104 Ca 0.06 1.57 0.01 0.00 0.04 0.00 0.00 61.00 62.67 2qjm s PRO 104 Cb -0.00 -2.05 0.66 0.00 0.04 0.00 0.00 34.50 33.14 2qjm s PRO 104 CO -0.02 -0.74 1.67 1.25 0.04 0.00 0.00 177.00 179.20 2qjm h LEU 105 N 1.33 0.10 -2.18 -3.56 5.85 -1.31 -1.89 115.31 113.66 2qjm h LEU 105 Ca -0.50 0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.46 2qjm h LEU 105 Cb 1.25 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 2qjm h LEU 105 CO 0.58 -0.08 0.22 0.10 -0.34 0.00 0.00 178.44 178.91 2qjm h TYR 106 N 0.28 0.00 -0.45 1.25 -0.00 -1.87 -0.23 116.97 115.95 2qjm h TYR 106 Ca 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 59.17 2qjm h TYR 106 Cb 1.00 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.71 2qjm h TYR 106 CO -0.23 0.00 -0.05 1.96 -0.00 0.00 0.00 178.16 179.85 2qjm h GLN 107 N 0.00 0.77 -0.05 0.10 1.08 -1.66 -0.44 115.11 114.91 2qjm h GLN 107 Ca 0.10 -0.23 -0.14 0.00 -1.45 0.00 0.00 58.65 56.94 2qjm h GLN 107 Cb 0.53 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 2qjm h GLN 107 CO -0.00 0.81 -0.59 -0.07 -0.95 0.00 0.00 178.83 178.03 2qjm h LEU 108 N 0.71 0.19 -1.11 1.46 4.07 -1.16 -2.87 115.31 116.59 2qjm h LEU 108 Ca 0.13 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2qjm h LEU 108 Cb 0.50 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.19 2qjm h LEU 108 CO 0.03 0.73 0.00 -0.07 -1.08 0.00 0.00 178.44 178.05 2qjm h LEU 109 N 0.12 0.00 0.00 1.67 3.38 -1.33 -3.45 115.31 115.71 2qjm h LEU 109 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qjm h LEU 109 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2qjm h LEU 109 CO 0.09 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.23 2qjm n GLY 110 N 0.18 -0.84 0.00 0.83 0.00 -1.10 -5.02 105.19 99.24 2qjm n GLY 110 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2qjm n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qjm n GLY 111 N 0.00 -0.19 3.76 -0.02 0.00 -0.20 -4.96 105.19 103.58 2qjm n GLY 111 Ca 0.00 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 2qjm n GLY 111 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qjm s ARG 112 N -2.45 4.72 0.00 1.61 1.70 -1.26 -4.23 118.95 119.03 2qjm s ARG 112 Ca 0.00 1.59 0.16 0.00 -0.47 0.00 0.00 55.73 57.00 2qjm s ARG 112 Cb 0.00 -3.17 -0.13 0.00 -0.57 0.00 0.00 34.95 31.08 2qjm s ARG 112 CO 0.00 0.36 0.70 0.43 -1.08 0.00 0.00 175.30 175.71 2qjm n SER 113 N 1.22 0.92 -3.87 -2.89 7.64 0.68 -4.95 113.62 112.37 2qjm n SER 113 Ca -0.01 -0.96 -0.08 0.00 1.01 0.00 0.00 58.87 58.83 2qjm n SER 113 Cb 0.47 0.89 -0.03 0.00 -1.01 0.00 0.00 64.21 64.52 2qjm n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qjm s ARG 114 N -2.34 1.68 0.00 1.43 1.70 -1.22 -5.07 118.95 115.14 2qjm s ARG 114 Ca 0.07 -1.03 0.00 0.00 -0.47 0.00 0.00 55.73 54.30 2qjm s ARG 114 Cb 0.12 0.57 0.00 0.00 -0.57 0.00 0.00 34.95 35.07 2qjm s ARG 114 CO 0.59 -0.75 0.00 -0.25 -1.08 0.00 0.00 175.30 173.81 2qjm n ASP 115 N -0.43 0.00 -4.95 -2.89 8.00 -1.26 -4.96 116.55 110.07 2qjm n ASP 115 Ca -0.04 0.17 -0.24 0.00 0.71 0.00 0.00 54.79 55.40 2qjm n ASP 115 Cb 0.60 -0.32 -0.01 0.00 -0.02 0.00 0.00 41.12 41.37 2qjm n ASP 115 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2qjm s GLY 116 N -1.92 1.34 -0.32 0.44 0.00 -1.26 -4.83 107.32 100.76 2qjm s GLY 116 Ca 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 44.72 43.71 2qjm s GLY 116 CO 0.00 -0.90 0.09 -0.42 0.00 0.00 0.00 173.10 171.86 2qjm s ILE 117 N -2.25 3.76 0.24 0.90 -1.09 0.19 -4.92 121.20 118.03 2qjm s ILE 117 Ca 0.39 -1.02 -0.30 0.00 -2.23 0.00 0.00 60.65 57.49 2qjm s ILE 117 Cb -0.10 -3.07 -0.10 0.00 -1.58 0.00 0.00 42.46 37.61 2qjm s ILE 117 CO 0.35 -0.09 1.45 -0.32 -1.23 0.00 0.00 174.94 175.10 2qjm s MET 118 N 1.42 4.26 0.42 2.79 -2.45 -1.26 -0.55 119.30 123.93 2qjm s MET 118 Ca -0.01 2.31 0.04 0.00 -1.25 0.00 0.00 55.69 56.78 2qjm s MET 118 Cb -0.19 -3.11 -0.04 0.00 1.25 0.00 0.00 34.83 32.74 2qjm s MET 118 CO 0.02 -0.43 0.05 0.14 1.05 0.00 0.00 175.02 175.84 2qjm s VAL 119 N 0.06 1.23 0.04 10.11 -7.23 -1.09 -1.45 120.40 122.06 2qjm s VAL 119 Ca 0.60 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 2qjm s VAL 119 Cb -0.42 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 33.96 2qjm s VAL 119 CO 0.43 0.00 -0.11 -0.72 -0.31 0.00 0.00 175.10 174.39 2qjm s TYR 120 N -3.01 0.92 0.56 2.82 -0.85 -1.18 -4.13 117.35 112.48 2qjm s TYR 120 Ca 0.24 -0.39 0.09 0.00 -0.52 0.00 0.00 57.07 56.49 2qjm s TYR 120 Cb 0.05 -0.54 0.08 0.00 0.38 0.00 0.00 41.96 41.93 2qjm s TYR 120 CO 0.12 -0.01 0.72 0.20 -1.52 0.00 0.00 175.55 175.06 2qjm s GLY 121 N -1.28 1.83 -0.42 5.49 0.00 -0.89 -3.34 107.32 108.72 2qjm s GLY 121 Ca -0.03 -2.00 -0.04 0.00 0.00 0.00 0.00 44.72 42.64 2qjm s GLY 121 CO 0.01 -1.71 0.23 0.30 0.00 0.00 0.00 173.10 171.93 2qjm s HIS 122 N -2.66 3.54 -0.34 1.90 3.76 -1.26 -1.38 115.29 118.85 2qjm s HIS 122 Ca 0.58 -2.27 -0.16 0.00 -0.15 0.00 0.00 55.06 53.05 2qjm s HIS 122 Cb -0.05 -3.25 -0.01 0.00 1.11 0.00 0.00 32.58 30.37 2qjm s HIS 122 CO 0.36 -0.97 0.40 0.00 -0.85 0.00 0.00 174.74 173.68 2qjm s ALA 123 N 1.19 3.50 0.30 -1.40 0.00 -0.28 -5.00 121.76 120.07 2qjm s ALA 123 Ca 0.07 -1.14 0.11 0.00 0.00 0.00 0.00 51.96 51.00 2qjm s ALA 123 Cb -0.23 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 2qjm s ALA 123 CO -0.03 -1.08 -0.16 -0.80 0.00 0.00 0.00 175.76 173.69 2qjm s ASN 124 N 1.73 3.57 -0.14 0.00 0.01 -1.26 -1.49 114.94 117.36 2qjm s ASN 124 Ca 0.14 -1.09 -0.30 0.00 -0.71 0.00 0.00 52.86 50.90 2qjm s ASN 124 Cb -0.16 -0.31 0.12 0.00 0.41 0.00 0.00 41.25 41.31 2qjm s ASN 124 CO 0.12 -0.06 0.98 -0.83 -1.51 0.00 0.00 177.10 175.80 2qjm s GLY 125 N -3.53 -0.30 0.31 0.66 0.00 -0.92 -4.44 107.32 99.09 2qjm s GLY 125 Ca 0.30 1.88 0.26 0.00 0.00 0.00 0.00 44.72 47.17 2qjm s GLY 125 CO 0.15 0.94 1.76 1.48 0.00 0.00 0.00 173.10 177.43 2qjm h SER 126 N 2.51 0.00 -5.17 1.64 4.64 -1.89 0.17 113.55 115.44 2qjm h SER 126 Ca -0.19 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.09 2qjm h SER 126 Cb 1.17 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.20 2qjm h SER 126 CO 0.31 0.00 0.03 1.51 -0.87 0.00 0.00 176.83 177.81 2qjm s ASP 127 N -4.86 0.01 0.19 4.97 3.84 -1.26 -3.67 116.67 115.89 2qjm s ASP 127 Ca 0.07 -0.95 -0.13 0.00 -0.00 0.00 0.00 52.55 51.54 2qjm s ASP 127 Cb 0.10 0.68 0.20 0.00 -1.38 0.00 0.00 42.92 42.52 2qjm s ASP 127 CO 0.54 -1.30 1.71 0.40 -0.00 0.00 0.00 175.17 176.51 2qjm h ILE 128 N 2.13 0.69 -0.24 2.11 2.04 -1.89 -0.83 117.51 121.52 2qjm h ILE 128 Ca -0.25 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.56 2qjm h ILE 128 Cb 1.25 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 2qjm h ILE 128 CO 0.33 0.04 0.08 0.00 0.00 0.00 0.00 178.15 178.60 2qjm h ALA 129 N 1.41 0.27 -0.80 1.87 0.00 -1.99 0.16 119.26 120.18 2qjm h ALA 129 Ca 0.26 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 2qjm h ALA 129 Cb 0.36 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2qjm h ALA 129 CO -0.35 -0.33 0.35 1.49 0.00 0.00 0.00 179.25 180.40 2qjm h GLU 130 N 0.19 1.17 -0.42 0.00 4.81 -1.87 -2.17 114.58 116.29 2qjm h GLU 130 Ca 0.10 -0.19 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 2qjm h GLU 130 Cb 0.07 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2qjm h GLU 130 CO -0.11 0.93 -0.20 1.15 -0.73 0.00 0.00 179.01 180.05 2qjm h THR 131 N 1.14 1.27 -0.68 0.32 2.02 -0.65 -1.90 112.91 114.43 2qjm h THR 131 Ca 0.27 -1.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.10 2qjm h THR 131 Cb 0.17 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 2qjm h THR 131 CO -0.03 0.45 0.32 0.58 0.37 0.00 0.00 175.52 177.20 2qjm h VAL 132 N 0.72 1.22 -0.38 3.16 2.07 -0.39 -1.81 116.25 120.85 2qjm h VAL 132 Ca 0.10 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 2qjm h VAL 132 Cb 0.72 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2qjm h VAL 132 CO 0.06 0.26 0.03 -0.08 0.02 0.00 0.00 177.57 177.86 2qjm h GLU 133 N 0.96 0.65 -0.65 1.57 4.81 -1.01 -2.58 114.58 118.32 2qjm h GLU 133 Ca 0.23 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2qjm h GLU 133 Cb 0.11 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 2qjm h GLU 133 CO -0.03 0.73 0.35 0.00 -0.73 0.00 0.00 179.01 179.33 2qjm h ALA 134 N 0.90 1.40 -0.59 2.92 0.00 -0.93 -1.81 119.26 121.14 2qjm h ALA 134 Ca 0.11 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2qjm h ALA 134 Cb 0.41 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2qjm h ALA 134 CO 0.01 0.49 0.08 0.28 0.00 0.00 0.00 179.25 180.11 2qjm h VAL 135 N 0.90 1.26 -0.87 0.00 2.07 -1.16 -1.85 116.25 116.60 2qjm h VAL 135 Ca 0.23 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2qjm h VAL 135 Cb 0.03 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2qjm h VAL 135 CO -0.04 0.37 0.55 1.23 0.02 0.00 0.00 177.57 179.71 2qjm h GLY 136 N 0.89 1.24 0.93 2.17 0.00 -1.01 -0.38 103.07 106.90 2qjm h GLY 136 Ca 0.18 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 2qjm h GLY 136 CO 0.01 0.47 -0.06 0.84 0.00 0.00 0.00 176.54 177.81 2qjm h HIS 137 N 1.19 -0.16 -0.51 5.60 6.17 -0.90 -0.05 115.15 126.50 2qjm h HIS 137 Ca 0.32 -0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.41 2qjm h HIS 137 Cb -0.10 0.05 -0.03 0.00 2.52 0.00 0.00 27.41 29.86 2qjm h HIS 137 CO 0.00 -0.03 0.34 1.88 0.71 0.00 0.00 177.93 180.83 2qjm h TYR 138 N -0.25 0.59 -0.43 5.26 0.05 -0.95 0.19 116.97 121.43 2qjm h TYR 138 Ca -0.02 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 2qjm h TYR 138 Cb 0.20 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 2qjm h TYR 138 CO -0.05 0.36 -0.14 0.82 -1.05 0.00 0.00 178.16 178.11 2qjm h ILE 139 N 0.62 1.26 -0.19 -2.88 2.04 -0.63 -2.15 117.51 115.58 2qjm h ILE 139 Ca 0.20 -1.21 -0.05 0.00 1.00 0.00 0.00 64.86 64.79 2qjm h ILE 139 Cb 0.02 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2qjm h ILE 139 CO -0.05 0.41 -0.12 0.44 0.00 0.00 0.00 178.15 178.84 2qjm h ASP 140 N 0.70 0.29 0.00 1.72 3.32 0.94 -1.88 116.42 121.51 2qjm h ASP 140 Ca 0.11 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2qjm h ASP 140 Cb 0.62 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2qjm h ASP 140 CO 0.04 0.44 0.00 0.23 -1.72 0.00 0.00 179.24 178.23 2qjm n MET 141 N -4.26 0.92 -0.64 3.56 2.81 -0.59 -4.88 117.12 114.05 2qjm n MET 141 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2qjm n MET 141 Cb 0.27 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 2qjm n MET 141 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qjm n GLY 142 N 0.76 0.61 3.74 3.03 0.00 -0.71 -4.43 105.19 108.19 2qjm n GLY 142 Ca 0.17 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 2qjm n GLY 142 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qjm s TYR 143 N -2.00 3.72 -0.37 1.61 1.51 -0.85 -2.92 117.35 118.05 2qjm s TYR 143 Ca 0.00 1.72 0.23 0.00 -1.01 0.00 0.00 57.07 58.01 2qjm s TYR 143 Cb 0.00 -3.17 0.03 0.00 -0.11 0.00 0.00 41.96 38.71 2qjm s TYR 143 CO 0.00 -0.21 1.02 1.63 -1.11 0.00 0.00 175.55 176.88 2qjm n LYS 144 N 2.14 0.48 -3.87 -0.62 5.02 -1.26 -4.63 118.16 115.41 2qjm n LYS 144 Ca 0.01 0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.20 2qjm n LYS 144 Cb 0.47 -1.71 -0.15 0.00 -0.02 0.00 0.00 35.03 33.61 2qjm n LYS 144 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qjm s ALA 145 N -3.31 0.17 -0.04 7.82 0.00 -1.26 -1.68 121.76 123.46 2qjm s ALA 145 Ca 0.01 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.14 2qjm s ALA 145 Cb 0.12 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2qjm s ALA 145 CO 0.80 -0.06 -0.05 0.42 0.00 0.00 0.00 175.76 176.87 2qjm s ILE 146 N 0.73 0.54 -0.09 0.00 1.09 0.10 -2.10 121.20 121.48 2qjm s ILE 146 Ca -0.07 -0.13 -0.21 0.00 -1.10 0.00 0.00 60.65 59.14 2qjm s ILE 146 Cb -0.10 -0.56 -0.04 0.00 -1.06 0.00 0.00 42.46 40.70 2qjm s ILE 146 CO -0.02 0.22 0.59 -0.60 -0.10 0.00 0.00 174.94 175.04 2qjm s ARG 147 N 0.87 4.39 -0.20 2.79 3.52 -0.48 -0.89 118.95 128.94 2qjm s ARG 147 Ca -0.12 0.67 -0.01 0.00 -0.13 0.00 0.00 55.73 56.14 2qjm s ARG 147 Cb -0.14 -3.44 0.01 0.00 -1.56 0.00 0.00 34.95 29.82 2qjm s ARG 147 CO 0.00 0.13 -0.13 0.00 -0.81 0.00 0.00 175.30 174.49 2qjm s ALA 148 N 0.66 2.54 -0.03 6.12 0.00 0.29 -1.13 121.76 130.22 2qjm s ALA 148 Ca 0.32 -1.24 0.07 0.00 0.00 0.00 0.00 51.96 51.10 2qjm s ALA 148 Cb -0.16 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 2qjm s ALA 148 CO 0.14 -0.45 -0.23 -0.65 0.00 0.00 0.00 175.76 174.58 2qjm s GLN 149 N 1.36 2.01 0.05 0.00 -1.52 -0.56 -4.69 119.66 116.31 2qjm s GLN 149 Ca 0.04 -0.82 0.04 0.00 -1.95 0.00 0.00 55.36 52.67 2qjm s GLN 149 Cb -0.14 -1.86 -0.02 0.00 -0.22 0.00 0.00 33.01 30.76 2qjm s GLN 149 CO -0.09 0.45 -0.12 -0.08 -0.25 0.00 0.00 175.29 175.21 2qjm s THR 150 N -0.40 0.89 0.49 -0.19 -1.32 -1.26 -2.18 115.64 111.67 2qjm s THR 150 Ca 0.05 -1.04 -0.19 0.00 -1.21 0.00 0.00 61.69 59.30 2qjm s THR 150 Cb -0.10 -0.85 -0.08 0.00 -1.51 0.00 0.00 72.50 69.95 2qjm s THR 150 CO 0.00 -0.16 1.00 -0.83 -2.21 0.00 0.00 174.62 172.42 2qjm s GLY 151 N -1.34 2.28 -0.26 6.08 0.00 0.59 -4.95 107.32 109.72 2qjm s GLY 151 Ca -0.03 0.38 -0.09 0.00 0.00 0.00 0.00 44.72 44.98 2qjm s GLY 151 CO 0.01 0.67 0.14 0.14 0.00 0.00 0.00 173.10 174.06 2qjm s VAL 152 N -2.31 4.92 0.23 1.40 1.01 -1.26 -4.24 120.40 120.15 2qjm s VAL 152 Ca 0.62 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.50 2qjm s VAL 152 Cb -0.12 -3.32 0.29 0.00 0.00 0.00 0.00 36.38 33.23 2qjm s VAL 152 CO 0.24 0.30 1.59 -0.65 0.00 0.00 0.00 175.10 176.57 2qjm h PRO 153 N 8.20 -0.03 0.00 2.72 0.11 -1.96 0.10 132.00 141.14 2qjm h PRO 153 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2qjm h PRO 153 Cb 1.18 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2qjm h PRO 153 CO 0.57 -0.02 0.00 0.41 -0.21 0.00 0.00 178.00 178.75 2qjm n GLY 154 N -1.50 -0.80 0.00 -0.55 0.00 -1.26 -5.22 105.19 95.85 2qjm n GLY 154 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2qjm n GLY 154 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qjm n ILE 155 N -1.12 0.00 0.00 -0.61 5.41 0.02 -5.02 119.36 118.03 2qjm n ILE 155 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.89 2qjm n ILE 155 Cb 0.11 -0.40 0.00 0.00 -0.71 0.00 0.00 39.64 38.64 2qjm n ILE 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qjm n ALA 173 N -3.00 1.22 -0.32 -1.39 0.00 -1.26 -4.64 120.51 111.11 2qjm n ALA 173 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 2qjm n ALA 173 Cb 0.00 0.05 0.45 0.00 0.00 0.00 0.00 19.45 19.96 2qjm n ALA 173 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qjm h SER 174 N 0.00 0.54 -4.56 0.00 0.87 -1.93 -2.95 113.55 105.52 2qjm h SER 174 Ca 0.00 0.09 -0.29 0.00 -1.23 0.00 0.00 61.79 60.36 2qjm h SER 174 Cb 0.22 -0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.03 2qjm h SER 174 CO 0.00 0.14 -0.66 -0.76 -0.53 0.00 0.00 176.83 175.02 2qjm s LEU 175 N -9.85 2.03 -0.11 2.23 1.43 -1.26 -4.69 118.68 108.46 2qjm s LEU 175 Ca -0.09 -1.20 -0.32 0.00 -1.03 0.00 0.00 54.13 51.48 2qjm s LEU 175 Cb 0.25 -0.03 -0.10 0.00 0.03 0.00 0.00 46.19 46.35 2qjm s LEU 175 CO 0.80 -0.60 1.99 -2.65 0.23 0.00 0.00 176.35 176.12 2qjm n PRO 176 N -0.26 2.20 -2.47 1.29 -0.02 -1.26 -4.78 135.00 129.69 2qjm n PRO 176 Ca -0.06 0.77 -0.34 0.00 -2.02 0.00 0.00 63.50 61.85 2qjm n PRO 176 Cb 0.64 -2.81 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 2qjm n PRO 176 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2qjm s SER 177 N 5.19 6.21 -0.18 2.55 0.01 -1.26 -4.79 113.70 121.43 2qjm s SER 177 Ca 0.95 2.00 -0.05 0.00 1.31 0.00 0.00 55.95 60.15 2qjm s SER 177 Cb -0.59 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.04 2qjm s SER 177 CO 0.47 -0.87 0.00 -0.69 0.41 0.00 0.00 173.24 172.55 2qjm s VAL 178 N -1.91 4.14 0.09 3.43 1.01 -1.26 -1.07 120.40 124.83 2qjm s VAL 178 Ca 0.68 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.48 2qjm s VAL 178 Cb -0.18 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2qjm s VAL 178 CO 0.22 0.46 -0.14 0.42 0.00 0.00 0.00 175.10 176.06 2qjm s THR 179 N 0.61 3.09 0.41 3.92 -4.23 -0.25 -4.97 115.64 114.22 2qjm s THR 179 Ca -0.00 -1.31 -0.01 0.00 -1.18 0.00 0.00 61.69 59.19 2qjm s THR 179 Cb -0.14 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 2qjm s THR 179 CO 0.02 0.16 0.63 -0.83 -0.54 0.00 0.00 174.62 174.07 2qjm s GLY 180 N -2.00 1.44 -0.15 3.99 0.00 -1.26 -1.61 107.32 107.71 2qjm s GLY 180 Ca 0.19 -0.88 -0.19 0.00 0.00 0.00 0.00 44.72 43.84 2qjm s GLY 180 CO 0.11 -0.76 0.51 0.86 0.00 0.00 0.00 173.10 173.82 2qjm s TRP 181 N -2.48 -0.53 -0.16 1.90 -0.11 -1.10 -4.87 118.94 111.59 2qjm s TRP 181 Ca 0.44 1.22 -0.04 0.00 1.22 0.00 0.00 56.10 58.94 2qjm s TRP 181 Cb -0.10 0.21 0.08 0.00 -1.50 0.00 0.00 33.47 32.16 2qjm s TRP 181 CO 0.38 -0.33 0.22 0.34 -4.62 0.00 0.00 176.95 172.94 2qjm s ASP 182 N -0.11 1.03 0.12 5.86 2.15 -1.26 -3.51 116.67 120.95 2qjm s ASP 182 Ca -0.03 0.07 -0.16 0.00 0.43 0.00 0.00 52.55 52.85 2qjm s ASP 182 Cb -0.03 0.42 -0.03 0.00 -0.30 0.00 0.00 42.92 42.98 2qjm s ASP 182 CO 0.02 -0.29 1.59 0.74 -0.17 0.00 0.00 175.17 177.06 2qjm h THR 183 N 6.32 1.24 -0.64 1.71 2.02 -1.99 -2.48 112.91 119.08 2qjm h THR 183 Ca -0.16 -0.86 0.05 0.00 0.77 0.00 0.00 66.41 66.21 2qjm h THR 183 Cb 1.14 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 68.59 2qjm h THR 183 CO 0.22 0.29 0.37 -0.09 0.37 0.00 0.00 175.52 176.68 2qjm h ARG 184 N 0.45 0.68 -0.73 6.66 9.65 -1.99 0.21 114.38 129.30 2qjm h ARG 184 Ca 0.11 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.89 2qjm h ARG 184 Cb 0.37 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.77 2qjm h ARG 184 CO 0.01 0.45 0.21 0.87 2.80 0.00 0.00 179.97 184.30 2qjm h LYS 185 N 0.70 1.15 -0.28 0.20 1.57 -1.99 -2.02 116.57 115.91 2qjm h LYS 185 Ca 0.28 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2qjm h LYS 185 Cb 0.13 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2qjm h LYS 185 CO -0.15 1.00 0.11 0.00 -0.57 0.00 0.00 179.45 179.84 2qjm h ALA 186 N 1.11 0.36 -0.51 3.86 0.00 -0.86 -1.88 119.26 121.34 2qjm h ALA 186 Ca 0.23 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2qjm h ALA 186 Cb 0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2qjm h ALA 186 CO -0.00 -0.04 0.34 -0.07 0.00 0.00 0.00 179.25 179.48 2qjm h LEU 187 N 0.30 0.51 -0.16 0.00 3.38 -0.35 0.73 115.31 119.73 2qjm h LEU 187 Ca 0.09 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 2qjm h LEU 187 Cb 0.18 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2qjm h LEU 187 CO -0.01 0.36 -0.95 0.78 0.09 0.00 0.00 178.44 178.71 2qjm h ASN 188 N 0.59 0.14 0.04 -0.43 2.35 -1.14 -3.40 115.58 113.73 2qjm h ASN 188 Ca 0.20 -0.13 -0.27 0.00 -0.55 0.00 0.00 56.30 55.56 2qjm h ASN 188 Cb 0.08 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 2qjm h ASN 188 CO -0.05 1.00 -1.47 0.22 -1.65 0.00 0.00 177.43 175.49 2qjm h TYR 189 N 0.04 0.14 -0.55 1.19 3.20 -0.76 -3.41 116.97 116.82 2qjm h TYR 189 Ca -0.04 -0.10 0.10 0.00 3.14 0.00 0.00 58.73 61.83 2qjm h TYR 189 Cb 1.63 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 39.82 2qjm h TYR 189 CO 0.02 1.58 0.10 0.28 -1.64 0.00 0.00 178.16 178.50 2qjm h VAL 190 N -0.71 0.67 -0.51 1.81 2.07 -1.08 -1.59 116.25 116.90 2qjm h VAL 190 Ca -0.37 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.14 2qjm h VAL 190 Cb 1.51 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 2qjm h VAL 190 CO -0.13 0.04 0.34 -0.65 0.02 0.00 0.00 177.57 177.20 2qjm h PRO 191 N 0.24 0.40 0.00 1.57 0.11 -1.80 -0.20 132.00 132.32 2qjm h PRO 191 Ca 0.28 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.32 2qjm h PRO 191 Cb 0.41 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 2qjm h PRO 191 CO -0.38 0.27 -0.25 0.87 -0.21 0.00 0.00 178.00 178.30 2qjm h LYS 192 N 0.42 0.00 0.25 1.05 1.57 -1.52 -1.69 116.57 116.64 2qjm h LYS 192 Ca 0.23 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2qjm h LYS 192 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2qjm h LYS 192 CO -0.06 0.25 -0.12 1.25 -0.57 0.00 0.00 179.45 180.20 2qjm h LEU 193 N 0.00 -0.28 -1.11 2.94 5.85 -0.88 -1.92 115.31 119.91 2qjm h LEU 193 Ca -0.00 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 2qjm h LEU 193 Cb 0.55 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 2qjm h LEU 193 CO 0.03 -0.12 -0.43 -0.26 -0.34 0.00 0.00 178.44 177.33 2qjm h PHE 194 N -0.43 0.00 -0.48 1.25 0.04 -1.45 -1.05 116.94 114.81 2qjm h PHE 194 Ca -0.03 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.65 2qjm h PHE 194 Cb 0.33 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 2qjm h PHE 194 CO -0.03 0.43 -0.05 1.49 -0.60 0.00 0.00 178.31 179.55 2qjm h GLU 195 N 0.00 0.89 -0.55 1.51 4.81 -1.22 -2.03 114.58 117.99 2qjm h GLU 195 Ca -0.00 -0.31 -0.11 0.00 -0.13 0.00 0.00 59.36 58.81 2qjm h GLU 195 Cb 0.80 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 2qjm h GLU 195 CO 0.06 0.95 -0.08 1.49 -0.73 0.00 0.00 179.01 180.70 2qjm h GLU 196 N 0.74 1.01 -0.41 1.92 4.57 -0.95 -2.34 114.58 119.13 2qjm h GLU 196 Ca 0.13 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 2qjm h GLU 196 Cb 0.58 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 2qjm h GLU 196 CO 0.03 1.04 0.22 -0.07 -1.18 0.00 0.00 179.01 179.05 2qjm h LEU 197 N 0.91 0.51 -0.56 1.64 3.38 -0.97 -0.91 115.31 119.30 2qjm h LEU 197 Ca 0.15 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 2qjm h LEU 197 Cb 0.63 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2qjm h LEU 197 CO 0.04 0.45 -0.33 0.03 0.09 0.00 0.00 178.44 178.72 2qjm h ARG 198 N 0.52 0.80 -0.19 1.13 2.47 -1.35 0.19 114.38 117.95 2qjm h ARG 198 Ca 0.14 -0.38 -0.06 0.00 -1.26 0.00 0.00 59.98 58.42 2qjm h ARG 198 Cb 0.06 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 2qjm h ARG 198 CO -0.02 1.01 -0.16 -0.22 0.56 0.00 0.00 179.97 181.14 2qjm h LYS 199 N 0.67 0.31 0.12 0.04 3.64 -1.25 0.64 116.57 120.74 2qjm h LYS 199 Ca 0.07 -0.08 -0.30 0.00 -1.27 0.00 0.00 60.65 59.06 2qjm h LYS 199 Cb 0.88 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 2qjm h LYS 199 CO 0.08 0.47 -1.56 1.15 -2.27 0.00 0.00 179.45 177.32 2qjm h THR 200 N 0.29 0.93 -0.01 1.00 2.02 -0.92 -3.40 112.91 112.82 2qjm h THR 200 Ca 0.06 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.85 2qjm h THR 200 Cb 0.46 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 2qjm h THR 200 CO 0.03 0.73 -0.34 -1.22 0.37 0.00 0.00 175.52 175.09 2qjm n TYR 201 N -3.83 0.00 -3.38 3.16 4.01 0.63 -5.10 117.16 112.65 2qjm n TYR 201 Ca -0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 2qjm n TYR 201 Cb 0.93 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.96 2qjm n TYR 201 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qjm n GLY 202 N 1.07 -2.07 1.45 2.72 0.00 0.22 -4.44 105.19 104.14 2qjm n GLY 202 Ca 0.04 -1.42 0.10 0.00 0.00 0.00 0.00 46.02 44.74 2qjm n GLY 202 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qjm n PHE 203 N -0.32 1.25 -1.29 1.61 3.72 -1.26 -4.56 117.46 116.61 2qjm n PHE 203 Ca 0.00 -0.57 -0.26 0.00 -0.05 0.00 0.00 57.45 56.57 2qjm n PHE 203 Cb 0.01 -0.15 0.01 0.00 -0.94 0.00 0.00 39.48 38.41 2qjm n PHE 203 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2qjm n ASP 204 N 1.25 6.81 -3.66 4.37 -0.08 -1.26 -4.83 116.55 119.15 2qjm n ASP 204 Ca 0.25 -3.33 -0.14 0.00 -1.51 0.00 0.00 54.79 50.06 2qjm n ASP 204 Cb 0.78 -1.11 -0.08 0.00 2.34 0.00 0.00 41.12 43.05 2qjm n ASP 204 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2qjm s HIS 205 N -2.38 -0.61 -0.09 -0.67 3.76 -1.26 -5.09 115.29 108.94 2qjm s HIS 205 Ca 0.49 1.41 -0.28 0.00 -0.15 0.00 0.00 55.06 56.53 2qjm s HIS 205 Cb 0.36 0.24 -0.02 0.00 1.11 0.00 0.00 32.58 34.27 2qjm s HIS 205 CO -0.13 -0.36 0.92 -1.01 -0.85 0.00 0.00 174.74 173.32 2qjm s HIS 206 N -0.02 3.54 -0.10 1.40 3.76 -0.68 -4.96 115.29 118.23 2qjm s HIS 206 Ca -0.03 1.50 0.03 0.00 -0.15 0.00 0.00 55.06 56.42 2qjm s HIS 206 Cb -0.04 -3.08 -0.01 0.00 1.11 0.00 0.00 32.58 30.57 2qjm s HIS 206 CO 0.02 -0.13 -0.21 -0.51 -0.85 0.00 0.00 174.74 173.06 2qjm s LEU 207 N 1.63 2.27 0.12 0.89 1.43 -1.26 -0.72 118.68 123.03 2qjm s LEU 207 Ca 0.46 -0.48 0.10 0.00 -1.03 0.00 0.00 54.13 53.18 2qjm s LEU 207 Cb -0.18 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 2qjm s LEU 207 CO 0.19 0.19 -0.25 -0.76 0.23 0.00 0.00 176.35 175.95 2qjm s LEU 208 N 0.19 2.32 -0.01 1.79 1.02 -0.07 0.17 118.68 124.11 2qjm s LEU 208 Ca -0.13 -0.74 0.02 0.00 0.02 0.00 0.00 54.13 53.31 2qjm s LEU 208 Cb -0.16 -1.10 -0.00 0.00 0.02 0.00 0.00 46.19 44.95 2qjm s LEU 208 CO 0.07 0.13 -0.06 -2.28 0.02 0.00 0.00 176.35 174.23 2qjm s HIS 209 N -1.15 0.60 -0.35 0.29 2.46 -0.95 -0.54 115.29 115.65 2qjm s HIS 209 Ca 0.12 -0.12 -0.09 0.00 0.47 0.00 0.00 55.06 55.44 2qjm s HIS 209 Cb -0.10 -0.40 0.03 0.00 -0.13 0.00 0.00 32.58 31.98 2qjm s HIS 209 CO 0.06 -0.03 0.15 0.34 -2.47 0.00 0.00 174.74 172.79 2qjm s ASP 210 N -0.04 5.49 0.52 9.88 -1.08 -1.26 -0.75 116.67 129.44 2qjm s ASP 210 Ca 0.01 -0.99 0.32 0.00 -0.52 0.00 0.00 52.55 51.37 2qjm s ASP 210 Cb -0.04 -1.95 1.21 0.00 -1.46 0.00 0.00 42.92 40.69 2qjm s ASP 210 CO -0.00 -0.33 1.92 1.23 0.52 0.00 0.00 175.17 178.51 2qjm h GLY 211 N 8.33 0.00 -6.54 2.66 0.00 -0.58 -3.48 103.07 103.47 2qjm h GLY 211 Ca -0.26 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.56 2qjm h GLY 211 CO 0.63 0.00 -0.87 1.57 0.00 0.00 0.00 176.54 177.87 2qjm n HIS 212 N -3.05 -1.69 -1.09 5.60 -0.00 -1.18 -2.42 115.22 111.39 2qjm n HIS 212 Ca 0.01 0.76 -0.03 0.00 0.46 0.00 0.00 57.72 58.92 2qjm n HIS 212 Cb 0.33 -3.61 -0.01 0.00 -0.12 0.00 0.00 29.99 26.58 2qjm n HIS 212 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2qjm n HIS 213 N -4.41 -0.00 0.24 1.57 8.25 0.96 -4.66 115.22 117.16 2qjm n HIS 213 Ca -0.23 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.37 2qjm n HIS 213 Cb 0.65 -2.23 0.33 0.00 1.12 0.00 0.00 29.99 29.85 2qjm n HIS 213 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qjm h ARG 214 N 0.00 0.00 -6.16 -0.41 2.47 -1.63 -3.39 114.38 105.26 2qjm h ARG 214 Ca -0.07 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.10 2qjm h ARG 214 Cb 1.05 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.32 2qjm h ARG 214 CO 0.10 0.01 -0.53 0.71 0.56 0.00 0.00 179.97 180.82 2qjm s TYR 215 N -3.35 3.24 0.71 3.04 2.02 -1.07 -4.94 117.35 116.99 2qjm s TYR 215 Ca 0.05 0.00 -0.08 0.00 -0.37 0.00 0.00 57.07 56.68 2qjm s TYR 215 Cb 0.06 -1.54 0.05 0.00 -0.40 0.00 0.00 41.96 40.14 2qjm s TYR 215 CO 0.63 0.51 1.03 0.95 -1.57 0.00 0.00 175.55 177.11 2qjm s THR 216 N -1.81 2.51 0.24 -0.71 -4.23 -1.26 -4.21 115.64 106.16 2qjm s THR 216 Ca 0.32 -0.14 -0.06 0.00 -1.18 0.00 0.00 61.69 60.63 2qjm s THR 216 Cb -0.10 -3.10 0.20 0.00 1.34 0.00 0.00 72.50 70.85 2qjm s THR 216 CO 0.25 -0.11 1.85 -0.65 -0.54 0.00 0.00 174.62 175.42 2qjm h PRO 217 N -0.62 0.91 -0.62 3.99 0.11 -1.93 -0.53 132.00 133.31 2qjm h PRO 217 Ca -0.45 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 2qjm h PRO 217 Cb 1.31 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2qjm h PRO 217 CO 0.62 0.60 0.09 0.37 -0.21 0.00 0.00 178.00 179.47 2qjm h GLN 218 N 0.94 1.04 -0.27 1.05 -0.00 -1.93 -0.86 115.11 115.07 2qjm h GLN 218 Ca 0.36 -0.29 -0.12 0.00 -0.00 0.00 0.00 58.65 58.60 2qjm h GLN 218 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.51 2qjm h GLN 218 CO -0.17 0.97 -0.33 0.93 0.00 0.00 0.00 178.83 180.23 2qjm h GLU 219 N 0.95 0.59 -0.35 1.69 5.08 -1.82 -0.66 114.58 120.07 2qjm h GLU 219 Ca 0.19 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 2qjm h GLU 219 Cb 0.45 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2qjm h GLU 219 CO 0.01 0.85 -0.26 0.00 -1.00 0.00 0.00 179.01 178.62 2qjm h ALA 220 N 1.13 0.90 -0.44 3.43 0.00 -0.89 0.19 119.26 123.58 2qjm h ALA 220 Ca 0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2qjm h ALA 220 Cb 0.82 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2qjm h ALA 220 CO 0.07 0.62 0.15 0.00 0.00 0.00 0.00 179.25 180.09 2qjm h ALA 221 N 1.10 0.58 0.18 0.00 0.00 -0.81 0.20 119.26 120.52 2qjm h ALA 221 Ca 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2qjm h ALA 221 Cb 0.75 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2qjm h ALA 221 CO 0.06 0.23 -0.08 -0.97 0.00 0.00 0.00 179.25 178.48 2qjm h ASN 222 N 0.58 -0.20 0.03 0.00 -1.24 -0.78 -0.77 115.58 113.19 2qjm h ASN 222 Ca 0.14 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.15 2qjm h ASN 222 Cb 0.25 0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.36 2qjm h ASN 222 CO -0.01 -0.13 -0.01 0.25 -1.29 0.00 0.00 177.43 176.24 2qjm h LEU 223 N -0.25 -0.03 -0.71 0.34 5.85 -0.47 -1.70 115.31 118.35 2qjm h LEU 223 Ca -0.02 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.80 2qjm h LEU 223 Cb 0.19 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 2qjm h LEU 223 CO 0.04 -0.01 0.31 1.23 -0.34 0.00 0.00 178.44 179.67 2qjm h GLY 224 N -0.05 1.05 0.97 3.75 0.00 -0.47 -0.69 103.07 107.63 2qjm h GLY 224 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2qjm h GLY 224 CO 0.01 -0.02 0.22 1.70 0.00 0.00 0.00 176.54 178.45 2qjm h LYS 225 N 0.50 0.60 0.00 4.80 3.64 -0.89 -1.90 116.57 123.32 2qjm h LYS 225 Ca 0.37 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.63 2qjm h LYS 225 Cb 0.47 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2qjm h LYS 225 CO -0.33 0.50 -0.18 0.52 -2.27 0.00 0.00 179.45 177.69 2qjm h MET 226 N 0.55 0.00 0.00 1.90 2.86 -0.52 -2.54 114.93 117.18 2qjm h MET 226 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2qjm h MET 226 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2qjm h MET 226 CO -0.02 0.18 -0.34 1.28 1.06 0.00 0.00 176.91 179.07 2qjm n LEU 227 N -3.76 0.63 -0.32 1.22 4.77 -0.34 -4.32 117.00 114.88 2qjm n LEU 227 Ca -0.02 0.34 0.14 0.00 -0.03 0.00 0.00 56.01 56.44 2qjm n LEU 227 Cb 0.29 -0.27 0.32 0.00 -2.33 0.00 0.00 43.42 41.44 2qjm n LEU 227 CO 0.33 -0.07 1.08 -0.33 -1.33 0.00 0.00 177.39 177.07 2qjm h GLU 228 N 0.00 0.45 0.00 3.23 5.08 -0.91 -0.40 114.58 122.03 2qjm h GLU 228 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2qjm h GLU 228 Cb 0.69 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2qjm h GLU 228 CO 0.00 0.30 0.00 -1.35 -1.00 0.00 0.00 179.01 176.96 2qjm h PRO 229 N 0.46 0.00 -0.53 2.33 0.11 -1.80 -2.69 132.00 129.88 2qjm h PRO 229 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 2qjm h PRO 229 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2qjm h PRO 229 CO -0.50 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.95 2qjm n TYR 230 N -2.55 0.70 -3.75 0.65 4.01 -0.16 -5.01 117.16 111.04 2qjm n TYR 230 Ca -0.01 -0.35 -0.26 0.00 -0.16 0.00 0.00 57.90 57.12 2qjm n TYR 230 Cb 0.12 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.16 2qjm n TYR 230 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2qjm n GLN 231 N 1.58 -1.24 -2.58 -0.72 1.13 -1.02 -4.92 117.38 109.61 2qjm n GLN 231 Ca 0.22 0.69 -0.35 0.00 -1.94 0.00 0.00 57.00 55.62 2qjm n GLN 231 Cb 0.62 -2.92 -0.04 0.00 0.11 0.00 0.00 30.24 28.00 2qjm n GLN 231 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2qjm s LEU 232 N -5.46 4.00 0.29 1.08 1.02 -1.26 -4.65 118.68 113.69 2qjm s LEU 232 Ca 0.14 1.95 0.02 0.00 0.02 0.00 0.00 54.13 56.26 2qjm s LEU 232 Cb -0.07 -4.38 0.44 0.00 0.02 0.00 0.00 46.19 42.20 2qjm s LEU 232 CO 0.89 -0.59 1.76 0.15 0.02 0.00 0.00 176.35 178.58 2qjm h PHE 233 N 2.05 0.60 -1.49 0.29 3.57 -0.63 -3.40 116.94 117.93 2qjm h PHE 233 Ca -0.49 -0.10 0.26 0.00 3.53 0.00 0.00 57.97 61.17 2qjm h PHE 233 Cb 1.21 -0.16 -0.18 0.00 2.79 0.00 0.00 35.95 39.62 2qjm h PHE 233 CO 0.58 0.68 0.81 1.67 -2.23 0.00 0.00 178.31 179.82 2qjm s TRP 234 N -4.68 -0.12 -0.22 0.41 -2.14 -1.25 -4.67 118.94 106.27 2qjm s TRP 234 Ca -0.07 0.06 0.02 0.00 2.66 0.00 0.00 56.10 58.77 2qjm s TRP 234 Cb 0.14 0.52 0.04 0.00 -3.10 0.00 0.00 33.47 31.07 2qjm s TRP 234 CO 0.79 -0.22 -0.15 -1.17 -2.66 0.00 0.00 176.95 173.54 2qjm s LEU 235 N -2.27 2.82 -0.00 -4.66 2.96 0.71 -2.24 118.68 116.00 2qjm s LEU 235 Ca 0.10 -1.02 -0.05 0.00 -0.22 0.00 0.00 54.13 52.94 2qjm s LEU 235 Cb -0.00 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 2qjm s LEU 235 CO -0.05 -0.10 0.23 -0.70 -1.32 0.00 0.00 176.35 174.42 2qjm s GLU 236 N 1.20 3.52 -1.27 1.98 2.12 0.07 -1.60 118.70 124.73 2qjm s GLU 236 Ca -0.02 -0.18 -0.02 0.00 0.36 0.00 0.00 54.97 55.11 2qjm s GLU 236 Cb -0.17 -3.09 0.02 0.00 0.26 0.00 0.00 34.13 31.16 2qjm s GLU 236 CO -0.09 0.66 0.06 -0.25 -0.54 0.00 0.00 175.26 175.10 2qjm n ASP 237 N 1.07 0.49 -0.03 -1.70 9.92 0.40 0.05 116.55 126.75 2qjm n ASP 237 Ca -0.11 -1.01 0.06 0.00 -0.53 0.00 0.00 54.79 53.19 2qjm n ASP 237 Cb 0.53 -1.27 0.44 0.00 -0.64 0.00 0.00 41.12 40.18 2qjm n ASP 237 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qjm s THR 239 N -5.48 0.07 0.25 0.00 -1.32 -1.26 -2.60 115.64 105.30 2qjm s THR 239 Ca -0.08 -0.60 -0.30 0.00 -1.21 0.00 0.00 61.69 59.51 2qjm s THR 239 Cb 0.18 -0.46 -0.14 0.00 -1.51 0.00 0.00 72.50 70.57 2qjm s THR 239 CO 0.74 -0.33 1.09 -2.65 -2.21 0.00 0.00 174.62 171.26 2qjm n PRO 240 N 1.53 1.34 -0.27 7.08 -0.02 -1.26 -4.87 135.00 138.54 2qjm n PRO 240 Ca -0.22 0.47 0.09 0.00 -2.02 0.00 0.00 63.50 61.83 2qjm n PRO 240 Cb 0.56 -1.91 0.20 0.00 -0.02 0.00 0.00 33.50 32.33 2qjm n PRO 240 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qjm n ALA 241 N 0.76 2.64 -0.25 3.55 0.00 -1.26 -4.64 120.51 121.31 2qjm n ALA 241 Ca 0.11 -2.39 0.10 0.00 0.00 0.00 0.00 53.44 51.26 2qjm n ALA 241 Cb 0.30 -0.55 0.35 0.00 0.00 0.00 0.00 19.45 19.55 2qjm n ALA 241 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qjm h GLU 242 N 1.01 0.73 -4.14 0.00 3.07 -1.95 -3.13 114.58 110.18 2qjm h GLU 242 Ca 0.00 -0.04 -0.76 0.00 -0.50 0.00 0.00 59.36 58.06 2qjm h GLU 242 Cb 1.22 -0.16 -0.24 0.00 -0.84 0.00 0.00 28.75 28.73 2qjm h GLU 242 CO 0.12 0.48 -0.23 1.21 -1.40 0.00 0.00 179.01 179.19 2qjm s ASN 243 N -5.91 6.18 0.32 1.42 3.84 -1.26 -4.93 114.94 114.61 2qjm s ASN 243 Ca -0.10 -1.71 0.20 0.00 0.21 0.00 0.00 52.86 51.46 2qjm s ASN 243 Cb 0.21 -2.21 1.09 0.00 -0.55 0.00 0.00 41.25 39.79 2qjm s ASN 243 CO 0.79 -0.83 1.59 0.00 -2.79 0.00 0.00 177.10 175.85 2qjm n GLN 244 N 5.27 0.13 0.10 0.43 6.02 -1.18 -0.99 117.38 127.15 2qjm n GLN 244 Ca -0.14 0.63 0.12 0.00 -0.01 0.00 0.00 57.00 57.60 2qjm n GLN 244 Cb 0.41 -1.99 0.45 0.00 1.02 0.00 0.00 30.24 30.13 2qjm n GLN 244 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2qjm n GLU 245 N -2.22 0.20 0.30 -1.09 1.02 -1.26 -3.57 120.64 114.02 2qjm n GLU 245 Ca -0.01 0.27 0.16 0.00 -0.02 0.00 0.00 57.16 57.56 2qjm n GLU 245 Cb 0.09 -1.79 0.96 0.00 -0.02 0.00 0.00 31.44 30.69 2qjm n GLU 245 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qjm h ALA 246 N 2.47 1.42 0.00 0.62 0.00 -1.40 -1.59 119.26 120.78 2qjm h ALA 246 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qjm h ALA 246 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2qjm h ALA 246 CO 0.00 0.01 -0.30 1.19 0.00 0.00 0.00 179.25 180.15 2qjm n PHE 247 N -3.69 0.21 -0.10 0.00 3.01 -1.23 -4.06 117.46 111.58 2qjm n PHE 247 Ca -0.03 0.06 -0.07 0.00 1.01 0.00 0.00 57.45 58.42 2qjm n PHE 247 Cb 0.09 -0.49 0.01 0.00 -0.01 0.00 0.00 39.48 39.08 2qjm n PHE 247 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 2qjm h ARG 248 N 0.00 0.33 -0.77 -1.08 9.65 -1.52 0.30 114.38 121.30 2qjm h ARG 248 Ca 0.00 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 2qjm h ARG 248 Cb 0.57 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.04 2qjm h ARG 248 CO 0.00 0.22 0.32 1.25 2.80 0.00 0.00 179.97 184.56 2qjm h LEU 249 N 0.34 1.04 0.37 3.80 6.46 -1.75 -1.64 115.31 123.92 2qjm h LEU 249 Ca 0.15 -0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 2qjm h LEU 249 Cb 0.08 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.75 2qjm h LEU 249 CO -0.12 0.91 -0.18 0.58 -0.62 0.00 0.00 178.44 179.01 2qjm h VAL 250 N 1.11 0.64 -0.83 1.05 2.07 -1.61 -3.00 116.25 115.67 2qjm h VAL 250 Ca 0.26 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.48 2qjm h VAL 250 Cb 0.19 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2qjm h VAL 250 CO -0.02 0.07 0.54 -0.09 0.02 0.00 0.00 177.57 178.08 2qjm h ARG 251 N -0.70 0.87 0.00 1.57 9.65 -0.87 -1.67 114.38 123.22 2qjm h ARG 251 Ca -0.05 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 2qjm h ARG 251 Cb 0.49 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 2qjm h ARG 251 CO 0.08 0.57 0.00 -0.56 2.80 0.00 0.00 179.97 182.87 2qjm h GLN 252 N 0.89 0.00 -0.01 0.20 3.07 -1.28 -3.31 115.11 114.68 2qjm h GLN 252 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.10 2qjm h GLN 252 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.81 2qjm h GLN 252 CO -0.13 0.00 -0.52 0.72 0.09 0.00 0.00 178.83 178.99 2qjm n HIS 253 N -3.06 0.00 -3.89 0.06 8.25 -0.66 -5.02 115.22 110.90 2qjm n HIS 253 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 2qjm n HIS 253 Cb 0.36 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.38 2qjm n HIS 253 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2qjm s THR 254 N -2.15 0.13 -2.32 1.59 -1.32 -1.02 -4.74 115.64 105.80 2qjm s THR 254 Ca 0.10 -1.08 0.20 0.00 -1.21 0.00 0.00 61.69 59.70 2qjm s THR 254 Cb 0.12 -1.05 0.26 0.00 -1.51 0.00 0.00 72.50 70.32 2qjm s THR 254 CO 0.51 -0.59 1.22 1.33 -2.21 0.00 0.00 174.62 174.88 2qjm n VAL 255 N 0.49 0.25 -1.90 5.08 0.24 -1.26 -4.74 118.33 116.49 2qjm n VAL 255 Ca -0.18 -0.63 -0.42 0.00 -2.04 0.00 0.00 64.34 61.08 2qjm n VAL 255 Cb 0.60 1.19 -0.03 0.00 -1.47 0.00 0.00 33.84 34.13 2qjm n VAL 255 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2qjm s THR 256 N -1.52 2.46 0.37 3.34 2.01 -1.26 -4.92 115.64 116.12 2qjm s THR 256 Ca 0.28 0.35 -0.28 0.00 0.31 0.00 0.00 61.69 62.35 2qjm s THR 256 Cb 0.18 -3.23 -0.11 0.00 0.01 0.00 0.00 72.50 69.36 2qjm s THR 256 CO 0.26 0.04 1.48 -2.84 -0.69 0.00 0.00 174.62 172.87 2qjm s PRO 257 N 0.55 4.13 -0.07 4.92 0.02 -1.26 -4.87 135.00 138.41 2qjm s PRO 257 Ca 0.67 2.55 0.01 0.00 0.02 0.00 0.00 61.00 64.25 2qjm s PRO 257 Cb -0.45 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.06 2qjm s PRO 257 CO 0.37 -0.52 -0.09 -0.51 -0.33 0.00 0.00 177.00 175.92 2qjm s LEU 258 N -1.92 3.04 0.03 -5.54 1.43 -1.26 -0.21 118.68 114.25 2qjm s LEU 258 Ca 0.53 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 2qjm s LEU 258 Cb -0.46 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 2qjm s LEU 258 CO 0.61 0.34 -0.11 0.00 0.23 0.00 0.00 176.35 177.42 2qjm s ALA 259 N -0.69 0.90 0.10 4.21 0.00 -0.63 0.23 121.76 125.89 2qjm s ALA 259 Ca 0.10 -0.70 -0.25 0.00 0.00 0.00 0.00 51.96 51.11 2qjm s ALA 259 Cb -0.11 -0.12 0.08 0.00 0.00 0.00 0.00 23.12 22.97 2qjm s ALA 259 CO 0.01 0.15 0.79 0.54 0.00 0.00 0.00 175.76 177.25 2qjm s VAL 260 N -0.83 0.00 0.00 0.00 0.11 -1.13 -0.45 120.40 118.09 2qjm s VAL 260 Ca -0.01 -0.21 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 2qjm s VAL 260 Cb -0.07 -1.26 0.00 0.00 -1.53 0.00 0.00 36.38 33.52 2qjm s VAL 260 CO 0.01 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 2qjm n GLY 261 N -0.35 1.25 0.33 6.54 0.00 -1.26 -0.38 105.19 111.32 2qjm n GLY 261 Ca -0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.04 2qjm n GLY 261 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2qjm h GLU 262 N 0.00 0.19 -0.38 1.61 4.11 -1.94 -0.43 114.58 117.74 2qjm h GLU 262 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2qjm h GLU 262 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2qjm h GLU 262 CO 0.00 0.13 0.00 0.44 0.07 0.00 0.00 179.01 179.65 2qjm n ILE 263 N -4.46 0.50 -2.32 -1.06 -5.35 -1.26 -4.72 119.36 100.69 2qjm n ILE 263 Ca 0.06 -0.57 -0.32 0.00 -0.27 0.00 0.00 62.75 61.65 2qjm n ILE 263 Cb 0.34 0.41 -0.02 0.00 -1.74 0.00 0.00 39.64 38.63 2qjm n ILE 263 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2qjm s PHE 264 N -1.50 3.37 0.00 4.28 0.08 -0.18 -4.98 117.98 119.06 2qjm s PHE 264 Ca 0.33 1.47 0.00 0.00 0.12 0.00 0.00 56.93 58.84 2qjm s PHE 264 Cb 0.17 -2.83 0.00 0.00 -0.57 0.00 0.00 43.02 39.80 2qjm s PHE 264 CO 0.24 -0.51 0.00 0.27 -0.10 0.00 0.00 175.22 175.11 2qjm n ASN 265 N -1.70 0.21 -3.97 1.36 0.23 -1.25 -4.05 115.26 106.08 2qjm n ASN 265 Ca 0.07 -0.26 -0.09 0.00 -0.53 0.00 0.00 54.58 53.76 2qjm n ASN 265 Cb 0.54 0.56 -0.07 0.00 -2.08 0.00 0.00 39.78 38.73 2qjm n ASN 265 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2qjm s THR 266 N -0.61 0.08 0.52 5.53 -4.23 -1.26 -3.93 115.64 111.74 2qjm s THR 266 Ca 0.00 -1.44 0.35 0.00 -1.18 0.00 0.00 61.69 59.42 2qjm s THR 266 Cb 0.00 -1.80 0.38 0.00 1.34 0.00 0.00 72.50 72.42 2qjm s THR 266 CO 0.00 -0.38 2.22 -0.29 -0.54 0.00 0.00 174.62 175.64 2qjm h ILE 267 N 2.62 0.30 0.00 2.99 2.10 -1.91 -2.18 117.51 121.43 2qjm h ILE 267 Ca -0.32 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.42 2qjm h ILE 267 Cb 1.22 1.14 0.00 0.00 -1.09 0.00 0.00 36.82 38.09 2qjm h ILE 267 CO 0.51 0.03 0.00 0.79 -1.08 0.00 0.00 178.15 178.40 2qjm n TRP 268 N -3.44 0.09 0.62 2.19 7.02 -1.26 -1.41 117.44 121.24 2qjm n TRP 268 Ca -0.02 0.03 0.12 0.00 -1.02 0.00 0.00 57.50 56.61 2qjm n TRP 268 Cb 0.14 -0.55 0.27 0.00 -2.42 0.00 0.00 31.31 28.75 2qjm n TRP 268 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2qjm n ASP 269 N -1.58 0.72 0.00 -0.99 8.00 -0.82 -4.24 116.55 117.63 2qjm n ASP 269 Ca 0.04 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.82 2qjm n ASP 269 Cb 0.20 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2qjm n ASP 269 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qjm n ALA 270 N -1.79 1.36 -0.21 2.24 0.00 -0.90 -4.85 120.51 116.36 2qjm n ALA 270 Ca 0.04 -0.22 -0.09 0.00 0.00 0.00 0.00 53.44 53.17 2qjm n ALA 270 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 2qjm n ALA 270 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2qjm h GLU 271 N 0.00 -0.22 -0.18 0.00 4.81 -1.41 -0.38 114.58 117.20 2qjm h GLU 271 Ca 0.00 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.08 2qjm h GLU 271 Cb 0.17 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 2qjm h GLU 271 CO 0.00 -0.15 -0.58 -0.44 -0.73 0.00 0.00 179.01 177.11 2qjm h ASP 272 N -0.23 0.64 -0.59 1.04 3.32 -1.88 -1.78 116.42 116.93 2qjm h ASP 272 Ca 0.17 -0.35 0.04 0.00 0.02 0.00 0.00 57.03 56.91 2qjm h ASP 272 Cb 0.56 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 2qjm h ASP 272 CO -0.70 1.08 0.33 -0.07 -1.72 0.00 0.00 179.24 178.17 2qjm h LEU 273 N 0.43 0.52 0.27 1.55 3.38 -1.68 -0.71 115.31 119.06 2qjm h LEU 273 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2qjm h LEU 273 Cb 1.14 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2qjm h LEU 273 CO 0.11 0.35 -0.13 0.40 0.09 0.00 0.00 178.44 179.26 2qjm h ILE 274 N 0.65 0.60 0.00 1.22 2.04 -1.03 -0.00 117.51 120.98 2qjm h ILE 274 Ca 0.25 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 2qjm h ILE 274 Cb 0.10 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2qjm h ILE 274 CO -0.14 0.14 -0.09 1.56 0.00 0.00 0.00 178.15 179.62 2qjm h GLN 275 N -0.91 0.00 -0.51 2.37 4.20 -1.31 -0.72 115.11 118.23 2qjm h GLN 275 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2qjm h GLN 275 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2qjm h GLN 275 CO 0.06 0.09 0.00 0.09 -0.67 0.00 0.00 178.83 178.40 2qjm n ASN 276 N -3.80 3.03 -3.76 1.46 3.02 -0.28 -4.96 115.26 109.98 2qjm n ASN 276 Ca -0.02 -1.97 -0.26 0.00 -0.03 0.00 0.00 54.58 52.30 2qjm n ASN 276 Cb 0.19 -0.34 0.02 0.00 -0.61 0.00 0.00 39.78 39.04 2qjm n ASN 276 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qjm n GLN 277 N 1.17 -2.95 0.00 3.52 6.02 -0.28 -4.90 117.38 119.95 2qjm n GLN 277 Ca 0.19 0.50 0.10 0.00 -0.01 0.00 0.00 57.00 57.78 2qjm n GLN 277 Cb 0.49 -4.60 -0.10 0.00 1.02 0.00 0.00 30.24 27.05 2qjm n GLN 277 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2qjm n LEU 278 N -4.25 0.73 -4.25 1.08 4.77 -0.03 -4.97 117.00 110.08 2qjm n LEU 278 Ca -0.22 -0.32 -0.14 0.00 -0.03 0.00 0.00 56.01 55.29 2qjm n LEU 278 Cb 0.65 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.62 2qjm n LEU 278 CO 0.70 0.17 -0.40 0.27 -1.33 0.00 0.00 177.39 176.80 2qjm s ILE 279 N -3.13 1.12 -0.04 -0.08 -4.36 -1.24 -4.78 121.20 108.69 2qjm s ILE 279 Ca 0.04 -2.05 0.11 0.00 -0.26 0.00 0.00 60.65 58.50 2qjm s ILE 279 Cb 0.15 -1.87 -0.17 0.00 1.25 0.00 0.00 42.46 41.83 2qjm s ILE 279 CO 0.86 -0.73 0.21 0.47 0.24 0.00 0.00 174.94 175.99 2qjm n ASP 280 N -0.20 2.34 -3.87 4.36 8.00 0.13 -4.83 116.55 122.48 2qjm n ASP 280 Ca -0.10 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.26 2qjm n ASP 280 Cb 0.61 1.36 -0.15 0.00 -0.02 0.00 0.00 41.12 42.92 2qjm n ASP 280 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2qjm s TYR 281 N -2.68 0.20 -0.22 1.24 2.02 -0.99 -1.17 117.35 115.76 2qjm s TYR 281 Ca -0.04 -0.01 -0.08 0.00 -0.37 0.00 0.00 57.07 56.57 2qjm s TYR 281 Cb 0.06 -0.20 -0.04 0.00 -0.40 0.00 0.00 41.96 41.39 2qjm s TYR 281 CO 0.47 -0.04 0.08 -1.50 -1.57 0.00 0.00 175.55 172.99 2qjm s ILE 282 N 0.31 4.62 -2.63 2.71 1.10 0.00 -2.84 121.20 124.47 2qjm s ILE 282 Ca -0.03 -0.08 0.26 0.00 -0.51 0.00 0.00 60.65 60.29 2qjm s ILE 282 Cb -0.05 -3.12 0.43 0.00 0.15 0.00 0.00 42.46 39.86 2qjm s ILE 282 CO -0.01 0.39 1.56 0.54 -2.11 0.00 0.00 174.94 175.32 2qjm n ARG 283 N 4.27 1.91 -1.62 3.50 5.12 0.48 -1.40 116.66 128.92 2qjm n ARG 283 Ca -0.16 -1.33 -0.41 0.00 -1.93 0.00 0.00 57.85 54.02 2qjm n ARG 283 Cb 0.52 -1.47 0.02 0.00 -1.16 0.00 0.00 32.46 30.37 2qjm n ARG 283 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qjm n ALA 284 N 0.61 0.34 -2.49 7.54 0.00 -1.19 -2.02 120.51 123.30 2qjm n ALA 284 Ca 0.17 0.19 -0.25 0.00 0.00 0.00 0.00 53.44 53.55 2qjm n ALA 284 Cb 0.44 -2.11 -0.08 0.00 0.00 0.00 0.00 19.45 17.70 2qjm n ALA 284 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qjm s THR 285 N -1.31 2.37 0.36 0.00 -4.23 -1.26 -4.51 115.64 107.05 2qjm s THR 285 Ca 0.65 -1.79 0.07 0.00 -1.18 0.00 0.00 61.69 59.44 2qjm s THR 285 Cb -0.52 -2.96 0.15 0.00 1.34 0.00 0.00 72.50 70.51 2qjm s THR 285 CO 0.55 -0.05 1.89 0.58 -0.54 0.00 0.00 174.62 177.05 2qjm h VAL 286 N 1.56 1.19 0.02 2.29 2.07 -1.91 0.21 116.25 121.68 2qjm h VAL 286 Ca -0.43 -0.80 -0.27 0.00 0.82 0.00 0.00 66.70 66.02 2qjm h VAL 286 Cb 1.25 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 2qjm h VAL 286 CO 0.71 0.26 -1.43 1.62 0.02 0.00 0.00 177.57 178.75 2qjm h VAL 287 N 0.37 1.20 0.11 2.57 3.04 -1.91 0.49 116.25 122.12 2qjm h VAL 287 Ca 0.08 -2.97 -0.28 0.00 -1.01 0.00 0.00 66.70 62.52 2qjm h VAL 287 Cb 0.36 2.63 -0.00 0.00 -2.01 0.00 0.00 31.29 32.27 2qjm h VAL 287 CO 0.02 0.73 -1.30 1.23 -1.01 0.00 0.00 177.57 177.24 2qjm h GLY 288 N 2.95 0.27 -3.57 3.17 0.00 -1.81 -3.38 103.07 100.70 2qjm h GLY 288 Ca -0.18 -0.70 -0.53 0.00 0.00 0.00 0.00 47.33 45.91 2qjm h GLY 288 CO 0.11 0.61 0.17 0.00 0.00 0.00 0.00 176.54 177.43 2qjm n ALA 289 N -2.55 5.51 -1.70 3.60 0.00 0.04 -3.95 120.51 121.47 2qjm n ALA 289 Ca -0.10 -3.46 -0.00 0.00 0.00 0.00 0.00 53.44 49.88 2qjm n ALA 289 Cb 1.02 -1.12 -0.00 0.00 0.00 0.00 0.00 19.45 19.35 2qjm n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qjm n GLY 290 N -0.92 0.37 5.53 0.00 0.00 -1.25 -3.95 105.19 104.97 2qjm n GLY 290 Ca 0.52 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2qjm n GLY 290 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qjm n GLY 291 N -1.61 -2.12 0.22 -0.02 0.00 0.17 -3.73 105.19 98.11 2qjm n GLY 291 Ca -0.00 -1.51 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 2qjm n GLY 291 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qjm h LEU 292 N 0.00 0.65 -0.34 0.99 -0.00 -1.88 -0.81 115.31 113.91 2qjm h LEU 292 Ca 0.00 -0.18 0.07 0.00 -0.00 0.00 0.00 57.88 57.77 2qjm h LEU 292 Cb 0.00 -0.17 -0.08 0.00 -0.00 0.00 0.00 40.66 40.41 2qjm h LEU 292 CO 0.00 0.66 -0.30 0.74 -0.00 0.00 0.00 178.44 179.54 2qjm h THR 293 N 0.60 0.28 0.21 0.22 2.02 -1.93 -1.59 112.91 112.71 2qjm h THR 293 Ca 0.15 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 67.01 2qjm h THR 293 Cb 0.22 0.28 0.02 0.00 -1.74 0.00 0.00 68.15 66.94 2qjm h THR 293 CO -0.01 0.00 -1.44 -0.74 0.37 0.00 0.00 175.52 173.70 2qjm h HIS 294 N -0.26 0.80 -0.26 3.16 -0.00 -1.63 -3.31 115.15 113.65 2qjm h HIS 294 Ca 0.16 -0.58 -0.00 0.00 -0.00 0.00 0.00 60.37 59.95 2qjm h HIS 294 Cb 0.52 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.88 2qjm h HIS 294 CO -0.49 1.48 0.16 1.25 -0.00 0.00 0.00 177.93 180.34 2qjm h LEU 295 N 0.12 0.30 -0.85 0.26 5.85 -1.03 -0.94 115.31 119.03 2qjm h LEU 295 Ca -0.23 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2qjm h LEU 295 Cb 2.10 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 43.02 2qjm h LEU 295 CO 0.24 0.23 0.50 -0.09 -0.34 0.00 0.00 178.44 178.99 2qjm h ARG 296 N 0.36 1.16 -0.56 1.25 2.43 -1.38 0.02 114.38 117.66 2qjm h ARG 296 Ca 0.10 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 2qjm h ARG 296 Cb -0.02 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.27 2qjm h ARG 296 CO -0.02 0.83 0.03 0.00 -1.51 0.00 0.00 179.97 179.30 2qjm h ARG 297 N 1.17 0.94 -0.44 0.20 3.08 -1.27 -0.43 114.38 117.63 2qjm h ARG 297 Ca 0.30 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 2qjm h ARG 297 Cb -0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2qjm h ARG 297 CO -0.05 0.91 -0.21 0.82 -1.07 0.00 0.00 179.97 180.37 2qjm h ILE 298 N 0.87 1.27 -0.48 2.04 2.04 -0.93 -2.34 117.51 119.99 2qjm h ILE 298 Ca 0.17 -1.35 -0.13 0.00 1.00 0.00 0.00 64.86 64.54 2qjm h ILE 298 Cb 0.48 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2qjm h ILE 298 CO 0.02 0.46 -0.22 0.00 0.00 0.00 0.00 178.15 178.42 2qjm h ALA 299 N 0.98 0.67 -0.39 1.87 0.00 -0.66 -2.20 119.26 119.53 2qjm h ALA 299 Ca 0.10 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qjm h ALA 299 Cb 0.76 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2qjm h ALA 299 CO 0.06 0.66 0.22 -0.44 0.00 0.00 0.00 179.25 179.75 2qjm h ASP 300 N 0.84 0.48 -0.49 0.00 3.32 -0.96 -1.22 116.42 118.40 2qjm h ASP 300 Ca 0.11 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2qjm h ASP 300 Cb 0.80 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 2qjm h ASP 300 CO 0.07 0.41 0.26 0.25 -1.72 0.00 0.00 179.24 178.51 2qjm h LEU 301 N 0.50 0.61 -0.66 1.55 5.85 -1.37 -2.90 115.31 118.89 2qjm h LEU 301 Ca 0.14 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.79 2qjm h LEU 301 Cb 0.03 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 2qjm h LEU 301 CO -0.02 0.53 0.41 0.00 -0.34 0.00 0.00 178.44 179.01 2qjm h ALA 302 N 1.10 0.85 -0.01 1.25 0.00 -1.10 -2.65 119.26 118.70 2qjm h ALA 302 Ca 0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2qjm h ALA 302 Cb 0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2qjm h ALA 302 CO -0.03 0.16 -0.00 0.66 0.00 0.00 0.00 179.25 180.04 2qjm h SER 303 N 0.79 0.01 0.19 0.00 4.64 -1.03 0.12 113.55 118.29 2qjm h SER 303 Ca 0.26 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 2qjm h SER 303 Cb 0.02 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2qjm h SER 303 CO -0.11 0.02 -0.05 -0.07 -0.87 0.00 0.00 176.83 175.75 2qjm h LEU 304 N 0.01 0.00 -3.08 5.97 3.38 -1.39 -1.62 115.31 118.59 2qjm h LEU 304 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qjm h LEU 304 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2qjm h LEU 304 CO 0.00 0.05 0.00 -1.22 0.09 0.00 0.00 178.44 177.36 2qjm n TYR 305 N -3.62 0.46 -1.71 1.13 4.01 -0.49 -4.96 117.16 111.99 2qjm n TYR 305 Ca -0.02 -0.77 -0.18 0.00 -0.16 0.00 0.00 57.90 56.76 2qjm n TYR 305 Cb 0.15 -0.17 -0.06 0.00 -0.31 0.00 0.00 39.34 38.94 2qjm n TYR 305 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2qjm n GLN 306 N -0.53 -1.31 -2.80 -0.72 6.02 -0.61 -4.97 117.38 112.45 2qjm n GLN 306 Ca 0.15 1.09 -0.41 0.00 -0.01 0.00 0.00 57.00 57.82 2qjm n GLN 306 Cb 0.64 -5.41 -0.05 0.00 1.02 0.00 0.00 30.24 26.44 2qjm n GLN 306 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2qjm s VAL 307 N -2.73 4.57 0.28 5.09 1.01 0.32 -4.95 120.40 123.99 2qjm s VAL 307 Ca 0.00 1.94 0.07 0.00 0.00 0.00 0.00 61.98 64.00 2qjm s VAL 307 Cb 0.00 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 2qjm s VAL 307 CO 0.00 0.33 0.22 -0.13 0.00 0.00 0.00 175.10 175.52 2qjm s ARG 308 N -0.01 2.82 0.26 2.72 0.52 -0.31 -3.53 118.95 121.41 2qjm s ARG 308 Ca 0.45 -1.17 -0.24 0.00 -0.52 0.00 0.00 55.73 54.25 2qjm s ARG 308 Cb -0.22 -2.51 -0.09 0.00 0.52 0.00 0.00 34.95 32.65 2qjm s ARG 308 CO 0.28 0.28 0.84 0.95 0.02 0.00 0.00 175.30 177.67 2qjm s THR 309 N -2.21 4.36 -0.38 0.02 -4.23 -0.50 -0.82 115.64 111.89 2qjm s THR 309 Ca 0.36 1.61 0.12 0.00 -1.18 0.00 0.00 61.69 62.60 2qjm s THR 309 Cb -0.07 -3.99 0.39 0.00 1.34 0.00 0.00 72.50 70.18 2qjm s THR 309 CO 0.25 0.24 1.05 0.61 -0.54 0.00 0.00 174.62 176.23 2qjm n GLY 310 N 0.81 1.72 3.52 3.99 0.00 -0.50 -0.42 105.19 114.31 2qjm n GLY 310 Ca -0.01 -0.80 -0.55 0.00 0.00 0.00 0.00 46.02 44.65 2qjm n GLY 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qjm s HIS 312 N -0.00 2.12 -0.35 0.00 2.46 -0.86 -1.96 115.29 116.70 2qjm s HIS 312 Ca 0.85 1.53 0.10 0.00 0.47 0.00 0.00 55.06 58.02 2qjm s HIS 312 Cb -1.13 -3.59 0.37 0.00 -0.13 0.00 0.00 32.58 28.10 2qjm s HIS 312 CO 0.54 -2.70 1.40 0.41 -2.47 0.00 0.00 174.74 171.92 2qjm n GLY 313 N 0.67 1.49 3.66 1.59 0.00 -1.26 -4.71 105.19 106.63 2qjm n GLY 313 Ca 0.15 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2qjm n GLY 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qjm s ALA 314 N 0.15 0.91 0.11 4.61 0.00 -1.26 -2.86 121.76 123.41 2qjm s ALA 314 Ca 0.13 -1.09 0.34 0.00 0.00 0.00 0.00 51.96 51.34 2qjm s ALA 314 Cb 0.39 -2.83 1.44 0.00 0.00 0.00 0.00 23.12 22.13 2qjm s ALA 314 CO -0.10 -3.45 2.00 1.79 0.00 0.00 0.00 175.76 175.99 2qjm h THR 315 N -2.48 0.00 0.00 0.00 1.35 -1.91 -2.97 112.91 106.91 2qjm h THR 315 Ca -0.43 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 2qjm h THR 315 Cb 1.27 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 2qjm h THR 315 CO 0.31 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.68 2qjm n ASP 316 N -3.01 0.00 -4.36 5.36 5.75 -1.26 -4.44 116.55 114.60 2qjm n ASP 316 Ca 0.00 -0.95 -0.36 0.00 -0.01 0.00 0.00 54.79 53.48 2qjm n ASP 316 Cb 0.27 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.23 2qjm n ASP 316 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2qjm s LEU 317 N -1.65 3.20 1.00 -2.12 1.02 -1.12 -4.68 118.68 114.32 2qjm s LEU 317 Ca 0.22 -0.37 -0.12 0.00 0.02 0.00 0.00 54.13 53.88 2qjm s LEU 317 Cb 0.10 -1.82 0.19 0.00 0.02 0.00 0.00 46.19 44.68 2qjm s LEU 317 CO 0.17 -0.05 1.08 -0.94 0.02 0.00 0.00 176.35 176.63 2qjm s SER 318 N 1.53 2.55 0.64 2.29 1.04 -1.26 -4.76 113.70 115.73 2qjm s SER 318 Ca 0.06 1.42 0.40 0.00 0.48 0.00 0.00 55.95 58.30 2qjm s SER 318 Cb -0.15 -2.10 2.23 0.00 0.10 0.00 0.00 66.02 66.10 2qjm s SER 318 CO -0.00 -3.21 2.33 -0.65 0.98 0.00 0.00 173.24 172.69 2qjm h PRO 319 N -1.94 0.00 -0.48 4.02 0.11 -1.93 -0.38 132.00 131.40 2qjm h PRO 319 Ca -0.54 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 2qjm h PRO 319 Cb 1.31 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 2qjm h PRO 319 CO 0.54 0.00 0.07 0.28 -0.21 0.00 0.00 178.00 178.68 2qjm h VAL 320 N 0.00 1.25 -0.27 3.15 2.07 -1.92 0.15 116.25 120.68 2qjm h VAL 320 Ca 0.00 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 2qjm h VAL 320 Cb 0.01 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2qjm h VAL 320 CO -0.00 0.33 -0.02 0.74 0.02 0.00 0.00 177.57 178.64 2qjm h THR 321 N 0.67 1.27 -0.97 2.57 2.02 -1.42 -2.08 112.91 114.96 2qjm h THR 321 Ca 0.14 -0.97 0.01 0.00 0.77 0.00 0.00 66.41 66.36 2qjm h THR 321 Cb 0.41 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 2qjm h THR 321 CO 0.01 0.31 0.63 -0.03 0.37 0.00 0.00 175.52 176.81 2qjm h MET 322 N 0.26 1.29 -0.10 6.66 -1.53 -1.16 0.34 114.93 120.69 2qjm h MET 322 Ca 0.07 -0.09 -0.00 0.00 -3.44 0.00 0.00 59.70 56.25 2qjm h MET 322 Cb 0.46 -0.29 -0.00 0.00 -0.55 0.00 0.00 31.60 31.22 2qjm h MET 322 CO 0.02 0.87 0.06 0.78 0.14 0.00 0.00 176.91 178.77 2qjm h GLY 323 N 1.32 0.15 1.19 1.39 0.00 -0.60 0.12 103.07 106.64 2qjm h GLY 323 Ca 0.35 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 2qjm h GLY 323 CO -0.07 0.06 0.31 0.00 0.00 0.00 0.00 176.54 176.84 2qjm h ALA 325 N 1.31 0.92 -0.10 0.00 0.00 0.11 -1.82 119.26 119.68 2qjm h ALA 325 Ca 0.24 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 2qjm h ALA 325 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2qjm h ALA 325 CO -0.03 0.66 -0.50 -0.07 0.00 0.00 0.00 179.25 179.31 2qjm h LEU 326 N 0.98 0.30 -0.37 0.00 3.38 -0.49 0.33 115.31 119.44 2qjm h LEU 326 Ca 0.19 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2qjm h LEU 326 Cb 0.48 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2qjm h LEU 326 CO 0.02 0.75 -0.15 0.45 0.09 0.00 0.00 178.44 179.60 2qjm h HIS 327 N 0.22 0.86 -0.27 1.13 3.86 -1.24 -0.47 115.15 119.25 2qjm h HIS 327 Ca 0.01 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 59.00 2qjm h HIS 327 Cb 0.96 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.22 2qjm h HIS 327 CO 0.02 0.93 0.10 0.35 0.86 0.00 0.00 177.93 180.19 2qjm h PHE 328 N 0.55 0.42 -0.53 2.45 3.57 -1.07 -2.74 116.94 119.59 2qjm h PHE 328 Ca 0.09 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2qjm h PHE 328 Cb 0.69 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 2qjm h PHE 328 CO 0.06 0.44 0.24 -0.44 -2.23 0.00 0.00 178.31 176.38 2qjm h ASP 329 N 0.28 0.68 -0.12 0.41 3.32 -0.26 0.67 116.42 121.40 2qjm h ASP 329 Ca 0.09 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 2qjm h ASP 329 Cb 0.21 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2qjm h ASP 329 CO -0.01 0.59 -0.12 0.74 -1.72 0.00 0.00 179.24 178.73 2qjm h THR 330 N 0.75 1.22 0.00 0.35 2.02 -0.84 -3.34 112.91 113.07 2qjm h THR 330 Ca 0.19 -0.96 -0.21 0.00 0.77 0.00 0.00 66.41 66.19 2qjm h THR 330 Cb 0.10 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 2qjm h THR 330 CO -0.02 0.31 -1.31 1.87 0.37 0.00 0.00 175.52 176.74 2qjm n TRP 331 N -4.22 0.79 -1.68 3.16 -0.00 -0.98 -0.23 117.44 114.28 2qjm n TRP 331 Ca 0.00 0.34 -0.62 0.00 -0.00 0.00 0.00 57.50 57.23 2qjm n TRP 331 Cb 0.31 -0.99 -0.08 0.00 -0.00 0.00 0.00 31.31 30.54 2qjm n TRP 331 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 177.69 179.24 2qjm n VAL 332 N -4.44 0.09 -0.13 5.87 3.14 0.19 -4.25 118.33 118.80 2qjm n VAL 332 Ca -0.30 -0.02 -0.10 0.00 -2.96 0.00 0.00 64.34 60.96 2qjm n VAL 332 Cb 0.63 -0.65 -0.02 0.00 -1.06 0.00 0.00 33.84 32.74 2qjm n VAL 332 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 2qjm h PRO 333 N 5.23 0.66 -1.75 1.45 0.13 -1.91 -3.22 132.00 132.60 2qjm h PRO 333 Ca -0.46 -0.20 -0.27 0.00 -0.87 0.00 0.00 66.00 64.19 2qjm h PRO 333 Cb 1.36 -0.06 -0.11 0.00 0.13 0.00 0.00 31.00 32.32 2qjm h PRO 333 CO 0.90 0.75 0.25 0.27 -0.23 0.00 0.00 178.00 179.93 2qjm n ASN 334 N -4.49 6.11 -4.77 1.44 6.94 -1.26 -4.95 115.26 114.29 2qjm n ASN 334 Ca -0.01 -2.89 -0.40 0.00 -0.02 0.00 0.00 54.58 51.25 2qjm n ASN 334 Cb 0.27 -1.14 -0.02 0.00 -2.36 0.00 0.00 39.78 36.53 2qjm n ASN 334 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2qjm s PHE 335 N -1.14 3.12 0.02 -2.53 5.36 -1.22 -1.41 117.98 120.19 2qjm s PHE 335 Ca 0.33 1.47 -0.04 0.00 -0.96 0.00 0.00 56.93 57.73 2qjm s PHE 335 Cb 0.22 -3.59 -0.01 0.00 -0.34 0.00 0.00 43.02 39.29 2qjm s PHE 335 CO -0.04 -1.62 -0.08 0.41 -1.46 0.00 0.00 175.22 172.43 2qjm n GLY 336 N 0.84 -0.16 3.63 13.12 0.00 0.44 -4.68 105.19 118.39 2qjm n GLY 336 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 2qjm n GLY 336 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qjm s ILE 337 N -2.08 0.00 -0.07 -0.61 2.07 -0.43 -4.92 121.20 115.16 2qjm s ILE 337 Ca -0.07 -0.34 0.01 0.00 -1.41 0.00 0.00 60.65 58.84 2qjm s ILE 337 Cb 0.01 -1.50 0.02 0.00 0.13 0.00 0.00 42.46 41.12 2qjm s ILE 337 CO 0.10 0.00 -0.10 -1.58 -1.91 0.00 0.00 174.94 171.45 2qjm s GLN 338 N -3.26 1.46 0.27 3.50 2.00 -0.53 -3.29 119.66 119.81 2qjm s GLN 338 Ca 0.08 -0.31 -0.29 0.00 -2.00 0.00 0.00 55.36 52.84 2qjm s GLN 338 Cb -0.01 -1.31 -0.09 0.00 0.80 0.00 0.00 33.01 32.39 2qjm s GLN 338 CO -0.03 -0.06 1.17 -2.00 -0.50 0.00 0.00 175.29 173.87 2qjm s GLU 339 N 0.93 4.55 -0.19 1.67 2.12 -0.83 -3.08 118.70 123.87 2qjm s GLU 339 Ca -0.10 1.91 -0.03 0.00 0.36 0.00 0.00 54.97 57.11 2qjm s GLU 339 Cb -0.15 -3.18 0.06 0.00 0.26 0.00 0.00 34.13 31.12 2qjm s GLU 339 CO 0.01 0.06 0.05 -0.47 -0.54 0.00 0.00 175.26 174.36 2qjm s TYR 340 N -0.89 0.85 -0.13 5.30 5.04 -1.21 -4.20 117.35 122.11 2qjm s TYR 340 Ca 0.47 -0.73 0.02 0.00 -2.44 0.00 0.00 57.07 54.39 2qjm s TYR 340 Cb -0.34 -0.95 -0.01 0.00 0.35 0.00 0.00 41.96 41.02 2qjm s TYR 340 CO 0.42 -0.58 -0.18 -1.64 -1.34 0.00 0.00 175.55 172.23 2qjm s MET 341 N 1.92 3.21 0.28 4.97 -1.94 -1.13 -4.69 119.30 121.91 2qjm s MET 341 Ca -0.00 -0.78 -0.29 0.00 -1.71 0.00 0.00 55.69 52.91 2qjm s MET 341 Cb -0.17 -2.51 -0.10 0.00 2.01 0.00 0.00 34.83 34.07 2qjm s MET 341 CO -0.08 0.15 1.23 1.03 -0.01 0.00 0.00 175.02 177.34 2qjm s ARG 342 N 0.48 4.47 0.52 2.03 0.52 -1.26 -4.60 118.95 121.11 2qjm s ARG 342 Ca -0.12 2.02 -0.04 0.00 -0.52 0.00 0.00 55.73 57.07 2qjm s ARG 342 Cb -0.16 -3.15 -0.01 0.00 0.52 0.00 0.00 34.95 32.15 2qjm s ARG 342 CO 0.05 -0.06 0.81 -1.01 0.02 0.00 0.00 175.30 175.11 2qjm s HIS 343 N -0.81 3.32 0.78 -0.53 3.76 -1.26 -4.90 115.29 115.64 2qjm s HIS 343 Ca 0.49 0.56 -0.11 0.00 -0.15 0.00 0.00 55.06 55.85 2qjm s HIS 343 Cb -0.36 -2.51 0.06 0.00 1.11 0.00 0.00 32.58 30.88 2qjm s HIS 343 CO 0.45 -0.56 1.09 0.95 -0.85 0.00 0.00 174.74 175.82 2qjm s THR 344 N -2.80 3.24 0.22 1.30 -4.23 -1.26 -4.85 115.64 107.27 2qjm s THR 344 Ca 0.51 0.40 -0.08 0.00 -1.18 0.00 0.00 61.69 61.34 2qjm s THR 344 Cb -0.10 -3.14 0.19 0.00 1.34 0.00 0.00 72.50 70.78 2qjm s THR 344 CO 0.43 -0.53 1.88 -0.33 -0.54 0.00 0.00 174.62 175.53 2qjm h GLU 345 N -1.03 1.02 -0.40 3.99 5.08 -1.98 -1.36 114.58 119.90 2qjm h GLU 345 Ca -0.46 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 57.88 2qjm h GLU 345 Cb 1.26 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 2qjm h GLU 345 CO 0.59 0.67 0.14 0.93 -1.00 0.00 0.00 179.01 180.34 2qjm h GLU 346 N 1.05 0.29 -0.55 2.33 3.07 -1.92 0.22 114.58 119.06 2qjm h GLU 346 Ca 0.32 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.16 2qjm h GLU 346 Cb -0.04 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 27.78 2qjm h GLU 346 CO -0.10 0.19 0.34 1.15 -1.40 0.00 0.00 179.01 179.19 2qjm h THR 347 N 0.30 1.16 -0.18 1.13 2.02 -1.37 0.51 112.91 116.47 2qjm h THR 347 Ca 0.19 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 2qjm h THR 347 Cb 0.17 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2qjm h THR 347 CO -0.19 0.16 -0.00 0.44 0.37 0.00 0.00 175.52 176.29 2qjm h ASP 348 N 0.74 0.24 0.05 4.18 3.32 -0.60 -0.40 116.42 123.94 2qjm h ASP 348 Ca 0.20 -0.03 -0.25 0.00 0.02 0.00 0.00 57.03 56.97 2qjm h ASP 348 Cb -0.04 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.47 2qjm h ASP 348 CO -0.04 0.29 -0.97 0.00 -1.72 0.00 0.00 179.24 176.81 2qjm h ALA 349 N 1.75 0.22 -0.19 3.45 0.00 -0.14 -3.25 119.26 121.10 2qjm h ALA 349 Ca 0.06 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 54.17 2qjm h ALA 349 Cb 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2qjm h ALA 349 CO 0.00 0.71 -0.43 0.28 0.00 0.00 0.00 179.25 179.82 2qjm h VAL 350 N 0.39 1.31 -2.96 0.00 2.07 -0.46 -3.36 116.25 113.24 2qjm h VAL 350 Ca -0.10 -1.60 -0.66 0.00 0.82 0.00 0.00 66.70 65.16 2qjm h VAL 350 Cb 1.61 1.63 -0.38 0.00 -1.52 0.00 0.00 31.29 32.62 2qjm h VAL 350 CO 0.19 0.49 -0.29 0.49 0.02 0.00 0.00 177.57 178.47 2qjm n PHE 351 N -4.01 3.65 -1.67 1.57 3.72 -0.20 -0.56 117.46 119.96 2qjm n PHE 351 Ca -0.02 -4.08 -0.47 0.00 -0.05 0.00 0.00 57.45 52.83 2qjm n PHE 351 Cb 0.52 -0.86 -0.04 0.00 -0.94 0.00 0.00 39.48 38.16 2qjm n PHE 351 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2qjm n PRO 352 N 1.79 2.08 -4.00 -1.08 -0.02 -1.12 -4.73 135.00 127.92 2qjm n PRO 352 Ca 0.23 0.75 -0.09 0.00 -2.02 0.00 0.00 63.50 62.38 2qjm n PRO 352 Cb 0.37 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 31.22 2qjm n PRO 352 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2qjm s HIS 353 N 1.41 0.32 -0.95 6.00 -3.43 -1.26 -0.74 115.29 116.63 2qjm s HIS 353 Ca 0.82 -0.67 -0.02 0.00 -0.80 0.00 0.00 55.06 54.38 2qjm s HIS 353 Cb -0.70 -0.23 0.26 0.00 -1.43 0.00 0.00 32.58 30.48 2qjm s HIS 353 CO 0.41 -0.29 1.06 -3.47 -2.00 0.00 0.00 174.74 170.44 2qjm n ASP 354 N 0.94 5.07 -3.56 7.38 4.64 -0.22 -4.95 116.55 125.85 2qjm n ASP 354 Ca -0.20 -3.26 -0.15 0.00 -1.38 0.00 0.00 54.79 49.81 2qjm n ASP 354 Cb 0.58 -1.12 -0.06 0.00 -1.04 0.00 0.00 41.12 39.48 2qjm n ASP 354 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 2qjm s TYR 355 N -1.99 -0.62 0.12 -0.67 -0.85 -1.26 0.11 117.35 112.19 2qjm s TYR 355 Ca 0.31 1.19 -0.09 0.00 -0.52 0.00 0.00 57.07 57.97 2qjm s TYR 355 Cb -0.00 0.39 -0.00 0.00 0.38 0.00 0.00 41.96 42.72 2qjm s TYR 355 CO -0.03 -0.49 0.23 1.67 -1.52 0.00 0.00 175.55 175.42 2qjm s TRP 356 N -0.77 0.23 -0.03 -3.49 -2.14 -0.45 -4.96 118.94 107.34 2qjm s TRP 356 Ca -0.06 -0.64 -0.01 0.00 2.66 0.00 0.00 56.10 58.05 2qjm s TRP 356 Cb -0.01 -0.05 -0.04 0.00 -3.10 0.00 0.00 33.47 30.27 2qjm s TRP 356 CO 0.05 -0.61 0.08 0.12 -2.66 0.00 0.00 176.95 173.93 2qjm s PHE 357 N -3.90 3.30 -0.30 1.66 5.36 -1.26 -0.88 117.98 121.96 2qjm s PHE 357 Ca 0.09 0.23 -0.10 0.00 -0.96 0.00 0.00 56.93 56.20 2qjm s PHE 357 Cb 0.04 -1.76 0.15 0.00 -0.34 0.00 0.00 43.02 41.11 2qjm s PHE 357 CO -0.07 0.56 0.72 -2.00 -1.46 0.00 0.00 175.22 172.97 2qjm s GLU 358 N -1.55 0.51 -1.22 10.12 2.12 0.36 -4.99 118.70 124.05 2qjm s GLU 358 Ca 0.21 1.20 -0.18 0.00 0.36 0.00 0.00 54.97 56.56 2qjm s GLU 358 Cb -0.12 0.72 0.00 0.00 0.26 0.00 0.00 34.13 34.99 2qjm s GLU 358 CO 0.11 -0.25 0.67 1.63 -0.54 0.00 0.00 175.26 176.89 2qjm n LYS 359 N 5.35 -1.49 -1.01 4.30 5.02 -1.26 -2.15 118.16 126.92 2qjm n LYS 359 Ca -0.10 0.36 -0.00 0.00 -2.02 0.00 0.00 58.31 56.55 2qjm n LYS 359 Cb 0.50 -3.89 -0.00 0.00 -0.02 0.00 0.00 35.03 31.62 2qjm n LYS 359 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qjm n GLY 360 N -1.85 0.45 3.04 0.72 0.00 -1.15 -4.78 105.19 101.62 2qjm n GLY 360 Ca -0.15 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 2qjm n GLY 360 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qjm s GLU 361 N -0.51 0.48 0.06 1.61 2.02 -0.91 -2.66 118.70 118.79 2qjm s GLU 361 Ca 0.00 -0.81 0.04 0.00 0.02 0.00 0.00 54.97 54.22 2qjm s GLU 361 Cb 0.00 -0.08 -0.04 0.00 0.10 0.00 0.00 34.13 34.12 2qjm s GLU 361 CO 0.00 -0.01 0.02 -0.51 0.02 0.00 0.00 175.26 174.77 2qjm s LEU 362 N -1.83 3.55 -0.03 1.80 1.43 0.29 -0.49 118.68 123.40 2qjm s LEU 362 Ca -0.08 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2qjm s LEU 362 Cb -0.06 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 43.96 2qjm s LEU 362 CO -0.02 0.20 -0.07 -0.36 0.23 0.00 0.00 176.35 176.34 2qjm s PHE 363 N -1.27 0.79 0.03 0.29 0.08 -0.06 -0.64 117.98 117.20 2qjm s PHE 363 Ca 0.25 -0.20 -0.05 0.00 0.12 0.00 0.00 56.93 57.05 2qjm s PHE 363 Cb -0.12 -0.61 -0.05 0.00 -0.57 0.00 0.00 43.02 41.67 2qjm s PHE 363 CO 0.17 -0.12 0.26 0.54 -0.10 0.00 0.00 175.22 175.97 2qjm s VAL 364 N 0.44 5.31 0.90 -0.44 0.11 -1.26 -1.34 120.40 124.12 2qjm s VAL 364 Ca -0.06 0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 58.92 2qjm s VAL 364 Cb -0.10 -3.58 0.19 0.00 -1.53 0.00 0.00 36.38 31.36 2qjm s VAL 364 CO 0.00 0.29 1.23 -0.83 -3.33 0.00 0.00 175.10 172.47 2qjm s GLY 365 N -1.92 1.79 0.00 6.54 0.00 0.29 -4.93 107.32 109.10 2qjm s GLY 365 Ca 0.30 -1.45 0.22 0.00 0.00 0.00 0.00 44.72 43.79 2qjm s GLY 365 CO 0.19 -0.71 1.52 1.18 0.00 0.00 0.00 173.10 175.28 2qjm n GLU 366 N -3.50 1.89 -1.74 2.90 -0.58 -1.26 -4.89 120.64 113.46 2qjm n GLU 366 Ca 0.16 -1.34 -0.42 0.00 -0.42 0.00 0.00 57.16 55.14 2qjm n GLU 366 Cb 0.60 -1.43 -0.03 0.00 -0.57 0.00 0.00 31.44 30.01 2qjm n GLU 366 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2qjm s THR 367 N -1.76 2.49 0.43 2.62 2.01 -1.26 -4.14 115.64 116.02 2qjm s THR 367 Ca 0.34 0.09 -0.24 0.00 0.31 0.00 0.00 61.69 62.19 2qjm s THR 367 Cb 0.19 -3.06 -0.10 0.00 0.01 0.00 0.00 72.50 69.53 2qjm s THR 367 CO 0.28 0.00 1.00 -2.65 -0.69 0.00 0.00 174.62 172.56 2qjm n PRO 368 N 5.31 1.33 0.00 4.92 -0.02 -1.26 -3.93 135.00 141.35 2qjm n PRO 368 Ca 0.17 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2qjm n PRO 368 Cb 0.38 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2qjm n PRO 368 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qjm n GLY 369 N 1.19 -1.76 0.16 -1.23 0.00 -0.79 -3.96 105.19 98.80 2qjm n GLY 369 Ca 0.10 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.53 2qjm n GLY 369 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2qjm n HIS 370 N 0.00 0.04 -0.99 1.61 1.44 -1.26 -1.00 115.22 115.06 2qjm n HIS 370 Ca 0.00 -0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 2qjm n HIS 370 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2qjm n HIS 370 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2qjm n GLY 371 N 0.96 0.66 3.53 -1.39 0.00 -1.25 -4.55 105.19 103.14 2qjm n GLY 371 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 2qjm n GLY 371 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qjm s VAL 372 N -2.71 3.02 0.30 1.61 1.01 -1.26 -1.05 120.40 121.32 2qjm s VAL 372 Ca 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 61.98 60.41 2qjm s VAL 372 Cb 0.00 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 2qjm s VAL 372 CO 0.00 0.02 0.40 -0.62 0.00 0.00 0.00 175.10 174.90 2qjm s ASP 373 N -2.40 0.68 -0.04 3.32 -1.08 0.08 -4.89 116.67 112.34 2qjm s ASP 373 Ca 0.21 -1.39 0.02 0.00 -0.52 0.00 0.00 52.55 50.87 2qjm s ASP 373 Cb -0.10 0.59 0.01 0.00 -1.46 0.00 0.00 42.92 41.96 2qjm s ASP 373 CO 0.12 -1.17 -0.10 -0.51 0.52 0.00 0.00 175.17 174.04 2qjm s ILE 374 N -3.46 0.88 -0.73 4.11 2.07 -1.26 -2.79 121.20 120.02 2qjm s ILE 374 Ca 0.31 -0.37 -0.21 0.00 -1.41 0.00 0.00 60.65 58.97 2qjm s ILE 374 Cb 0.01 -0.81 0.09 0.00 0.13 0.00 0.00 42.46 41.88 2qjm s ILE 374 CO 0.18 0.28 0.98 -0.62 -1.91 0.00 0.00 174.94 173.85 2qjm s ASP 375 N 0.47 6.30 0.25 4.50 -1.08 0.28 -4.90 116.67 122.49 2qjm s ASP 375 Ca -0.08 -1.33 -0.05 0.00 -0.52 0.00 0.00 52.55 50.56 2qjm s ASP 375 Cb -0.12 -2.40 0.29 0.00 -1.46 0.00 0.00 42.92 39.23 2qjm s ASP 375 CO 0.02 -1.30 1.91 -0.33 0.52 0.00 0.00 175.17 175.99 2qjm h GLU 376 N 9.33 1.26 -0.42 4.34 5.08 -1.98 0.11 114.58 132.29 2qjm h GLU 376 Ca -0.16 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 2qjm h GLU 376 Cb 1.06 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2qjm h GLU 376 CO 1.16 0.83 0.13 0.93 -1.00 0.00 0.00 179.01 181.06 2qjm h GLU 377 N 1.30 0.66 -0.23 2.33 3.07 -1.99 -2.12 114.58 117.60 2qjm h GLU 377 Ca 0.38 -0.15 -0.16 0.00 -0.50 0.00 0.00 59.36 58.94 2qjm h GLU 377 Cb -0.07 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 2qjm h GLU 377 CO -0.10 0.65 -0.50 1.25 -1.40 0.00 0.00 179.01 178.91 2qjm h LEU 378 N 0.54 0.69 -1.31 1.33 5.85 -1.89 -3.06 115.31 117.46 2qjm h LEU 378 Ca 0.14 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.51 2qjm h LEU 378 Cb 0.27 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2qjm h LEU 378 CO -0.00 1.07 0.45 0.00 -0.34 0.00 0.00 178.44 179.62 2qjm h ALA 379 N 0.95 1.49 0.00 1.25 0.00 -0.61 -1.72 119.26 120.62 2qjm h ALA 379 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qjm h ALA 379 Cb 1.04 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2qjm h ALA 379 CO 0.10 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.81 2qjm n ALA 380 N -2.43 1.35 1.48 0.00 0.00 -0.81 -1.93 120.51 118.16 2qjm n ALA 380 Ca 0.07 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.71 2qjm n ALA 380 Cb 0.04 -1.23 0.58 0.00 0.00 0.00 0.00 19.45 18.84 2qjm n ALA 380 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qjm n LYS 381 N -1.85 1.05 -3.84 0.00 5.02 -0.65 -4.53 118.16 113.35 2qjm n LYS 381 Ca 0.01 -0.47 -0.30 0.00 -2.02 0.00 0.00 58.31 55.54 2qjm n LYS 381 Cb 0.11 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.49 2qjm n LYS 381 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2qjm s TYR 382 N -2.28 2.70 0.45 2.13 2.02 -0.81 -5.05 117.35 116.51 2qjm s TYR 382 Ca 0.33 -2.88 -0.25 0.00 -0.37 0.00 0.00 57.07 53.90 2qjm s TYR 382 Cb 0.20 -2.41 -0.08 0.00 -0.40 0.00 0.00 41.96 39.27 2qjm s TYR 382 CO 0.43 -0.74 1.44 -2.14 -1.57 0.00 0.00 175.55 172.97 2qjm s PRO 383 N -0.12 3.66 0.50 -1.71 0.02 -1.26 -0.37 135.00 135.72 2qjm s PRO 383 Ca 0.18 2.45 -0.22 0.00 0.02 0.00 0.00 61.00 63.44 2qjm s PRO 383 Cb -0.23 -2.65 -0.08 0.00 0.02 0.00 0.00 34.50 31.56 2qjm s PRO 383 CO -0.01 -0.85 0.98 0.98 -0.33 0.00 0.00 177.00 177.76 2qjm n TYR 384 N -0.22 0.99 -3.50 6.54 9.36 -1.26 -4.22 117.16 124.85 2qjm n TYR 384 Ca 0.05 0.49 -0.19 0.00 3.32 0.00 0.00 57.90 61.57 2qjm n TYR 384 Cb 0.42 -2.19 -0.13 0.00 -0.63 0.00 0.00 39.34 36.81 2qjm n TYR 384 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2qjm s LYS 385 N -2.33 0.19 0.11 2.98 2.47 -1.26 -5.00 119.74 116.90 2qjm s LYS 385 Ca 0.68 0.11 -0.35 0.00 -1.56 0.00 0.00 55.97 54.85 2qjm s LYS 385 Cb -0.49 -1.22 -0.17 0.00 -1.46 0.00 0.00 37.83 34.49 2qjm s LYS 385 CO 0.53 -0.71 1.10 -0.35 0.16 0.00 0.00 175.35 176.08 2qjm n PRO 386 N 5.31 0.72 -3.69 4.03 -0.04 -1.26 -4.79 135.00 135.28 2qjm n PRO 386 Ca -0.05 0.26 -0.10 0.00 -0.04 0.00 0.00 63.50 63.56 2qjm n PRO 386 Cb 0.49 -1.73 -0.10 0.00 -0.04 0.00 0.00 33.50 32.12 2qjm n PRO 386 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qjm s ALA 387 N -0.09 -1.25 0.25 0.55 0.00 -1.26 -4.70 121.76 115.26 2qjm s ALA 387 Ca 0.79 1.69 0.09 0.00 0.00 0.00 0.00 51.96 54.53 2qjm s ALA 387 Cb -0.99 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 2qjm s ALA 387 CO 0.53 -0.28 0.03 0.71 0.00 0.00 0.00 175.76 176.74 2qjm s TYR 388 N 1.26 2.79 0.48 0.00 2.02 -1.11 -3.93 117.35 118.85 2qjm s TYR 388 Ca -0.08 -0.19 -0.08 0.00 -0.37 0.00 0.00 57.07 56.35 2qjm s TYR 388 Cb -0.07 -1.26 -0.05 0.00 -0.40 0.00 0.00 41.96 40.19 2qjm s TYR 388 CO -0.12 0.59 0.82 -0.51 -1.57 0.00 0.00 175.55 174.75 2qjm s LEU 389 N -3.56 3.63 0.95 -1.29 1.43 -1.26 -4.81 118.68 113.77 2qjm s LEU 389 Ca 0.31 1.07 -0.12 0.00 -1.03 0.00 0.00 54.13 54.36 2qjm s LEU 389 Cb -0.07 -4.02 0.16 0.00 0.03 0.00 0.00 46.19 42.29 2qjm s LEU 389 CO 0.20 -0.57 1.11 -2.84 0.23 0.00 0.00 176.35 174.48 2qjm s PRO 390 N -4.52 0.79 0.20 1.29 0.02 -1.26 -4.43 135.00 127.09 2qjm s PRO 390 Ca 0.50 0.46 0.06 0.00 0.02 0.00 0.00 61.00 62.04 2qjm s PRO 390 Cb -0.10 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.58 2qjm s PRO 390 CO 0.42 -2.47 -0.10 0.14 -0.33 0.00 0.00 177.00 174.66 2qjm s VAL 391 N -3.08 1.47 0.03 3.83 -7.23 -0.23 -4.83 120.40 110.36 2qjm s VAL 391 Ca 0.64 -2.13 0.05 0.00 -1.81 0.00 0.00 61.98 58.73 2qjm s VAL 391 Cb -0.17 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 2qjm s VAL 391 CO 0.56 -0.55 -0.14 0.00 -0.31 0.00 0.00 175.10 174.66 2qjm s ALA 392 N -3.14 1.15 0.01 1.32 0.00 -1.26 -1.09 121.76 118.76 2qjm s ALA 392 Ca 0.23 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.43 2qjm s ALA 392 Cb 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 2qjm s ALA 392 CO 0.06 0.22 -0.10 1.03 0.00 0.00 0.00 175.76 176.98 2qjm s ARG 393 N -1.03 0.76 1.00 0.00 0.52 -0.64 -0.29 118.95 119.28 2qjm s ARG 393 Ca 0.02 -0.49 -0.12 0.00 -0.52 0.00 0.00 55.73 54.62 2qjm s ARG 393 Cb -0.07 -0.72 0.19 0.00 0.52 0.00 0.00 34.95 34.87 2qjm s ARG 393 CO 0.01 0.19 1.10 -0.51 0.02 0.00 0.00 175.30 176.11 2qjm s LEU 394 N -0.62 1.59 0.53 2.53 1.43 0.63 -2.72 118.68 122.06 2qjm s LEU 394 Ca 0.01 1.13 0.23 0.00 -1.03 0.00 0.00 54.13 54.47 2qjm s LEU 394 Cb -0.05 -3.31 1.39 0.00 0.03 0.00 0.00 46.19 44.25 2qjm s LEU 394 CO 0.00 -3.11 2.04 -0.33 0.23 0.00 0.00 176.35 175.18 2qjm h GLU 395 N -1.88 0.00 -0.07 1.70 5.08 -1.90 -0.33 114.58 117.18 2qjm h GLU 395 Ca -0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 2qjm h GLU 395 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2qjm h GLU 395 CO 0.58 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.19 2qjm n ASP 396 N -4.36 1.17 0.00 1.42 5.75 -1.26 -4.89 116.55 114.38 2qjm n ASP 396 Ca 0.06 -1.52 0.00 0.00 -0.01 0.00 0.00 54.79 53.32 2qjm n ASP 396 Cb 0.46 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 2qjm n ASP 396 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qjm n GLY 397 N 1.08 0.23 3.69 6.12 0.00 -0.13 -5.06 105.19 111.12 2qjm n GLY 397 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2qjm n GLY 397 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qjm n THR 398 N -1.79 0.41 -1.73 2.61 -1.04 -1.25 -4.64 114.28 106.85 2qjm n THR 398 Ca 0.00 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.05 61.52 2qjm n THR 398 Cb 0.00 -2.11 -0.03 0.00 -1.82 0.00 0.00 70.33 66.37 2qjm n THR 398 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 2qjm s MET 399 N 2.92 4.14 0.04 -2.82 1.75 -1.26 -0.27 119.30 123.79 2qjm s MET 399 Ca 0.83 2.59 0.00 0.00 -1.25 0.00 0.00 55.69 57.86 2qjm s MET 399 Cb -0.49 -3.39 -0.00 0.00 2.84 0.00 0.00 34.83 33.79 2qjm s MET 399 CO 0.39 -0.80 0.01 1.87 -0.65 0.00 0.00 175.02 175.83 2qjm n TRP 400 N 4.99 0.05 -3.38 4.11 -0.00 0.61 -4.86 117.44 118.95 2qjm n TRP 400 Ca 0.17 -0.21 -0.40 0.00 -0.00 0.00 0.00 57.50 57.07 2qjm n TRP 400 Cb 0.37 -0.01 -0.09 0.00 -0.00 0.00 0.00 31.31 31.58 2qjm n TRP 400 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 2qjm s ASN 401 N -1.21 6.23 0.00 5.87 0.01 -1.26 -4.34 114.94 120.24 2qjm s ASN 401 Ca 0.01 0.11 0.30 0.00 -0.71 0.00 0.00 52.86 52.57 2qjm s ASN 401 Cb 0.00 -2.21 1.79 0.00 0.41 0.00 0.00 41.25 41.24 2qjm s ASN 401 CO 0.01 -0.25 2.13 1.87 -1.51 0.00 0.00 177.10 179.34