#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qf7 n SER 28 N 0.00 -1.32 0.06 -2.24 2.88 -1.26 -5.02 113.62 106.73 1qf7 n SER 28 Ca 0.00 -2.01 -0.15 0.00 -1.33 0.00 0.00 58.87 55.38 1qf7 n SER 28 Cb 0.00 1.21 -0.14 0.00 -0.75 0.00 0.00 64.21 64.53 1qf7 n SER 28 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1qf7 h LEU 29 N 2.18 0.32-10.06 2.46 3.38 -2.10 -3.46 115.31 108.02 1qf7 h LEU 29 Ca -0.31 -0.42 -0.55 0.00 0.09 0.00 0.00 57.88 56.68 1qf7 h LEU 29 Cb 1.21 -0.10 0.14 0.00 0.09 0.00 0.00 40.66 42.00 1qf7 h LEU 29 CO -0.00 1.35 0.58 0.00 0.09 0.00 0.00 178.44 180.46 1qf7 s ALA 30 N -2.63 2.70 0.60 1.53 0.00 -1.26 -4.96 121.76 117.74 1qf7 s ALA 30 Ca -0.07 1.30 -0.19 0.00 0.00 0.00 0.00 51.96 53.00 1qf7 s ALA 30 Cb 0.07 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 1qf7 s ALA 30 CO 0.85 -1.43 1.29 -1.25 0.00 0.00 0.00 175.76 175.22 1qf7 s PRO 31 N -3.03 2.87 0.46 0.00 0.04 -1.26 -4.90 135.00 129.18 1qf7 s PRO 31 Ca 0.74 2.05 0.22 0.00 0.04 0.00 0.00 61.00 64.06 1qf7 s PRO 31 Cb -0.40 -2.01 1.13 0.00 0.04 0.00 0.00 34.50 33.27 1qf7 s PRO 31 CO 0.46 -1.35 1.95 1.49 0.04 0.00 0.00 177.00 179.59 1qf7 h GLU 32 N 0.95 0.00 0.00 4.56 4.57 -1.96 -2.13 114.58 120.58 1qf7 h GLU 32 Ca -0.51 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1qf7 h GLU 32 Cb 1.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 1qf7 h GLU 32 CO 0.55 0.21 0.00 -0.40 -1.18 0.00 0.00 179.01 178.19 1qf7 n ASP 33 N -3.73 0.00 -0.11 1.04 5.75 -1.26 -4.90 116.55 113.34 1qf7 n ASP 33 Ca -0.01 -1.00 -0.01 0.00 -0.01 0.00 0.00 54.79 53.75 1qf7 n ASP 33 Cb 0.32 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.41 1qf7 n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qf7 n GLY 34 N 0.92 0.47 0.00 6.12 0.00 -0.80 -4.89 105.19 107.01 1qf7 n GLY 34 Ca 0.23 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1qf7 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qf7 n SER 35 N -0.00 0.00 0.09 1.61 3.41 -1.26 -2.40 113.62 115.07 1qf7 n SER 35 Ca -0.01 -0.84 0.13 0.00 -0.26 0.00 0.00 58.87 57.89 1qf7 n SER 35 Cb 0.16 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.41 1qf7 n SER 35 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1qf7 h HIS 36 N 0.00 0.00 -3.55 7.33 2.07 -1.90 -3.45 115.15 115.65 1qf7 h HIS 36 Ca 0.00 0.00 -0.65 0.00 -2.85 0.00 0.00 60.37 56.87 1qf7 h HIS 36 Cb 0.00 0.00 -0.23 0.00 2.57 0.00 0.00 27.41 29.75 1qf7 h HIS 36 CO 0.00 0.00 -0.64 0.50 -3.07 0.00 0.00 177.93 174.72 1qf7 s ARG 37 N -3.14 3.64 0.45 5.12 6.06 -1.01 -5.01 118.95 125.07 1qf7 s ARG 37 Ca 0.09 -0.49 -0.23 0.00 -2.50 0.00 0.00 55.73 52.59 1qf7 s ARG 37 Cb 0.12 -3.23 -0.07 0.00 0.06 0.00 0.00 34.95 31.82 1qf7 s ARG 37 CO 0.65 -0.12 1.17 -1.25 -2.50 0.00 0.00 175.30 173.25 1qf7 s PRO 38 N 1.40 3.78 0.40 5.12 0.04 -1.26 -4.99 135.00 139.49 1qf7 s PRO 38 Ca 0.05 1.80 -0.26 0.00 0.04 0.00 0.00 61.00 62.63 1qf7 s PRO 38 Cb -0.15 -2.44 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 1qf7 s PRO 38 CO 0.02 -0.54 1.29 0.00 0.04 0.00 0.00 177.00 177.81 1qf7 s ALA 39 N -1.52 3.25 -1.54 8.56 0.00 -1.26 -4.91 121.76 124.35 1qf7 s ALA 39 Ca 0.63 1.21 -0.09 0.00 0.00 0.00 0.00 51.96 53.71 1qf7 s ALA 39 Cb -0.29 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.33 1qf7 s ALA 39 CO 0.36 -0.80 2.73 0.00 0.00 0.00 0.00 175.76 178.05 1qf7 n ALA 40 N 0.13 7.14 -3.43 0.00 0.00 -1.26 -4.82 120.51 118.27 1qf7 n ALA 40 Ca 0.04 -3.71 -0.12 0.00 0.00 0.00 0.00 53.44 49.64 1qf7 n ALA 40 Cb 0.44 -3.25 -0.02 0.00 0.00 0.00 0.00 19.45 16.61 1qf7 n ALA 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1qf7 s GLU 41 N 1.51 1.25 -0.00 0.00 -1.05 -1.22 -4.83 118.70 114.36 1qf7 s GLU 41 Ca 0.63 -0.41 -0.32 0.00 -0.15 0.00 0.00 54.97 54.72 1qf7 s GLU 41 Cb 0.17 0.58 -0.10 0.00 -0.44 0.00 0.00 34.13 34.34 1qf7 s GLU 41 CO -0.07 -0.54 1.92 -2.30 0.95 0.00 0.00 175.26 175.22 1qf7 n PRO 42 N -0.28 2.57 -4.23 -4.83 -0.02 -1.26 -4.99 135.00 121.96 1qf7 n PRO 42 Ca -0.17 0.94 -0.19 0.00 -2.02 0.00 0.00 63.50 62.07 1qf7 n PRO 42 Cb 0.64 -2.84 -0.11 0.00 -0.02 0.00 0.00 33.50 31.16 1qf7 n PRO 42 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1qf7 s THR 43 N 4.07 1.33 0.80 3.45 -4.23 -1.05 -4.96 115.64 115.05 1qf7 s THR 43 Ca 0.90 -1.61 -0.11 0.00 -1.18 0.00 0.00 61.69 59.69 1qf7 s THR 43 Cb -0.55 -1.43 0.07 0.00 1.34 0.00 0.00 72.50 71.93 1qf7 s THR 43 CO 0.45 -0.34 1.09 -2.16 -0.54 0.00 0.00 174.62 173.13 1qf7 s PRO 44 N -2.38 2.04 0.18 3.99 0.04 -1.26 -3.27 135.00 134.34 1qf7 s PRO 44 Ca 0.06 1.10 -0.33 0.00 0.04 0.00 0.00 61.00 61.87 1qf7 s PRO 44 Cb -0.07 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.46 1qf7 s PRO 44 CO 0.03 -1.77 1.50 -2.30 0.04 0.00 0.00 177.00 174.50 1qf7 n PRO 45 N -3.60 2.04 -0.15 0.56 -0.02 -1.26 -1.98 135.00 130.59 1qf7 n PRO 45 Ca 0.09 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1qf7 n PRO 45 Cb 0.53 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1qf7 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qf7 n GLY 46 N 2.94 2.10 0.12 -1.23 0.00 -1.26 -4.90 105.19 102.97 1qf7 n GLY 46 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1qf7 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qf7 h ALA 47 N 0.00 0.47 -2.33 4.61 0.00 -1.75 -3.46 119.26 116.80 1qf7 h ALA 47 Ca 0.00 -0.74 -0.24 0.00 0.00 0.00 0.00 54.91 53.93 1qf7 h ALA 47 Cb 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 17.57 1qf7 h ALA 47 CO 0.00 0.93 -0.66 -0.65 0.00 0.00 0.00 179.25 178.87 1qf7 s GLN 48 N -3.15 1.00 0.42 0.00 -1.52 -1.26 -5.08 119.66 110.07 1qf7 s GLN 48 Ca -0.03 -1.47 -0.25 0.00 -1.95 0.00 0.00 55.36 51.66 1qf7 s GLN 48 Cb 0.10 -0.06 -0.08 0.00 -0.22 0.00 0.00 33.01 32.75 1qf7 s GLN 48 CO 0.83 -0.17 1.27 -1.25 -0.25 0.00 0.00 175.29 175.73 1qf7 s PRO 49 N -3.96 3.90 0.79 2.91 0.05 -1.26 -5.00 135.00 132.44 1qf7 s PRO 49 Ca 0.22 2.08 -0.11 0.00 0.05 0.00 0.00 61.00 63.24 1qf7 s PRO 49 Cb 0.07 -2.68 0.07 0.00 0.05 0.00 0.00 34.50 32.01 1qf7 s PRO 49 CO 0.02 -0.52 1.09 0.95 0.05 0.00 0.00 177.00 178.58 1qf7 s THR 50 N -1.31 3.25 0.17 1.26 -4.23 -1.26 -4.65 115.64 108.88 1qf7 s THR 50 Ca 0.59 0.41 -0.15 0.00 -1.18 0.00 0.00 61.69 61.35 1qf7 s THR 50 Cb -0.36 -2.96 0.02 0.00 1.34 0.00 0.00 72.50 70.54 1qf7 s THR 50 CO 0.46 -0.53 0.44 0.00 -0.54 0.00 0.00 174.62 174.45 1qf7 s ALA 51 N -2.96 -0.72 0.31 3.99 0.00 -1.26 -5.00 121.76 116.12 1qf7 s ALA 51 Ca 0.61 -0.34 -0.26 0.00 0.00 0.00 0.00 51.96 51.97 1qf7 s ALA 51 Cb -0.17 0.81 -0.14 0.00 0.00 0.00 0.00 23.12 23.63 1qf7 s ALA 51 CO 0.56 -0.73 0.76 -2.30 0.00 0.00 0.00 175.76 174.04 1qf7 n PRO 52 N -0.28 0.80 -0.30 0.00 -0.02 -1.26 -4.66 135.00 129.27 1qf7 n PRO 52 Ca -0.11 0.28 0.02 0.00 -2.02 0.00 0.00 63.50 61.68 1qf7 n PRO 52 Cb 0.63 -1.55 0.21 0.00 -0.02 0.00 0.00 33.50 32.78 1qf7 n PRO 52 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1qf7 h GLY 53 N 1.39 1.30 2.00 -1.23 0.00 -1.37 -0.64 103.07 104.52 1qf7 h GLY 53 Ca -0.37 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1qf7 h GLY 53 CO 0.57 0.36 0.00 -1.14 0.00 0.00 0.00 176.54 176.33 1qf7 n SER 54 N -4.46 0.25 -0.07 0.19 3.41 -1.26 -0.32 113.62 111.36 1qf7 n SER 54 Ca 0.12 0.53 -0.13 0.00 -0.26 0.00 0.00 58.87 59.13 1qf7 n SER 54 Cb 0.13 -0.59 -0.14 0.00 -0.26 0.00 0.00 64.21 63.35 1qf7 n SER 54 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qf7 n LEU 55 N -1.74 1.25 0.00 1.04 4.77 -0.37 -3.34 117.00 118.61 1qf7 n LEU 55 Ca 0.06 0.12 -0.16 0.00 -0.03 0.00 0.00 56.01 56.00 1qf7 n LEU 55 Cb 0.34 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1qf7 n LEU 55 CO 0.26 0.61 0.26 0.50 -1.33 0.00 0.00 177.39 177.70 1qf7 h LYS 56 N 0.01 0.69 -2.03 3.23 1.63 -0.96 -3.39 116.57 115.75 1qf7 h LYS 56 Ca -0.46 -0.59 -0.55 0.00 -0.85 0.00 0.00 60.65 58.21 1qf7 h LYS 56 Cb 2.08 0.13 -0.40 0.00 -0.60 0.00 0.00 32.23 33.44 1qf7 h LYS 56 CO 0.03 1.20 -1.06 0.00 -3.45 0.00 0.00 179.45 176.16 1qf7 n ALA 57 N -2.59 2.57 0.30 5.00 0.00 0.56 -3.45 120.51 122.91 1qf7 n ALA 57 Ca -0.07 -3.58 0.18 0.00 0.00 0.00 0.00 53.44 49.97 1qf7 n ALA 57 Cb 0.76 -0.84 0.93 0.00 0.00 0.00 0.00 19.45 20.30 1qf7 n ALA 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qf7 h PRO 58 N 3.75 0.00 0.00 0.00 0.13 -1.71 -2.37 132.00 131.80 1qf7 h PRO 58 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1qf7 h PRO 58 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1qf7 h PRO 58 CO 0.52 0.04 -0.24 -0.25 -0.23 0.00 0.00 178.00 177.83 1qf7 n ASP 59 N -3.32 0.27 -4.69 1.44 8.00 -1.26 -4.82 116.55 112.17 1qf7 n ASP 59 Ca -0.02 0.16 -0.42 0.00 0.71 0.00 0.00 54.79 55.22 1qf7 n ASP 59 Cb 0.17 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 1qf7 n ASP 59 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1qf7 s THR 60 N -3.01 4.13 0.16 -3.53 2.01 -0.89 -5.02 115.64 109.50 1qf7 s THR 60 Ca 0.12 1.47 0.02 0.00 0.31 0.00 0.00 61.69 63.61 1qf7 s THR 60 Cb 0.18 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1qf7 s THR 60 CO 0.61 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.54 1qf7 s ARG 61 N 2.31 1.07 0.26 4.92 3.03 -1.26 -5.02 118.95 124.26 1qf7 s ARG 61 Ca 0.58 -1.51 -0.20 0.00 2.03 0.00 0.00 55.73 56.63 1qf7 s ARG 61 Cb -0.26 -0.22 0.02 0.00 -1.03 0.00 0.00 34.95 33.46 1qf7 s ARG 61 CO 0.23 -0.13 0.66 0.54 -1.13 0.00 0.00 175.30 175.46 1qf7 s ASN 62 N -3.15 -0.25 0.33 -2.89 2.20 -1.26 -5.01 114.94 104.91 1qf7 s ASN 62 Ca 0.23 -0.62 0.01 0.00 -0.94 0.00 0.00 52.86 51.54 1qf7 s ASN 62 Cb 0.06 0.69 0.57 0.00 -2.00 0.00 0.00 41.25 40.57 1qf7 s ASN 62 CO 0.03 -1.27 1.99 -0.08 -2.94 0.00 0.00 177.10 174.82 1qf7 h GLU 63 N 2.06 0.93 -0.17 3.55 4.81 -1.97 0.81 114.58 124.59 1qf7 h GLU 63 Ca -0.22 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 58.82 1qf7 h GLU 63 Cb 1.25 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1qf7 h GLU 63 CO 0.27 0.61 -0.41 -0.22 -0.73 0.00 0.00 179.01 178.53 1qf7 h LYS 64 N 0.96 0.58 -0.75 1.92 1.63 -1.96 -2.08 116.57 116.86 1qf7 h LYS 64 Ca 0.28 -0.40 -0.05 0.00 -0.85 0.00 0.00 60.65 59.62 1qf7 h LYS 64 Cb -0.06 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1qf7 h LYS 64 CO -0.07 1.02 0.26 -0.07 -3.45 0.00 0.00 179.45 177.14 1qf7 h LEU 65 N 0.24 1.07 -0.53 5.20 3.38 -1.80 -2.00 115.31 120.87 1qf7 h LEU 65 Ca -0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1qf7 h LEU 65 Cb 1.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1qf7 h LEU 65 CO 0.09 0.98 0.28 0.78 0.09 0.00 0.00 178.44 180.65 1qf7 h ASN 66 N 1.11 0.67 0.98 -0.43 2.35 -0.83 -2.76 115.58 116.68 1qf7 h ASN 66 Ca 0.25 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1qf7 h ASN 66 Cb 0.27 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1qf7 h ASN 66 CO -0.01 0.59 0.00 0.77 -1.65 0.00 0.00 177.43 177.13 1qf7 h SER 67 N 0.71 0.00 0.68 5.81 4.64 -0.93 -2.42 113.55 122.04 1qf7 h SER 67 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1qf7 h SER 67 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1qf7 h SER 67 CO -0.03 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.11 1qf7 n LEU 68 N -3.05 0.27 -0.14 5.97 4.77 -0.79 -3.81 117.00 120.21 1qf7 n LEU 68 Ca 0.01 0.56 0.07 0.00 -0.03 0.00 0.00 56.01 56.61 1qf7 n LEU 68 Cb 0.30 -0.51 0.39 0.00 -2.33 0.00 0.00 43.42 41.26 1qf7 n LEU 68 CO 0.27 -0.32 1.20 -0.08 -1.33 0.00 0.00 177.39 177.13 1qf7 h GLU 69 N 0.00 0.66 0.00 3.23 4.57 -1.47 -1.06 114.58 120.51 1qf7 h GLU 69 Ca 0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1qf7 h GLU 69 Cb 0.34 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1qf7 h GLU 69 CO 0.00 0.43 -0.03 0.38 -1.18 0.00 0.00 179.01 178.61 1qf7 h ASP 70 N 0.68 0.00 -0.03 1.04 2.03 -1.81 -2.01 116.42 116.32 1qf7 h ASP 70 Ca 0.28 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.58 1qf7 h ASP 70 Cb 0.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.74 1qf7 h ASP 70 CO -0.09 0.03 0.00 1.33 -1.03 0.00 0.00 179.24 179.48 1qf7 n VAL 71 N -3.43 0.04 -2.41 4.15 0.24 -0.42 -5.00 118.33 111.51 1qf7 n VAL 71 Ca -0.02 -0.52 -0.39 0.00 -2.04 0.00 0.00 64.34 61.37 1qf7 n VAL 71 Cb 0.14 1.23 -0.03 0.00 -1.47 0.00 0.00 33.84 33.70 1qf7 n VAL 71 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1qf7 s ARG 72 N -1.03 4.38 -0.03 7.34 0.52 -0.76 -5.04 118.95 124.32 1qf7 s ARG 72 Ca 0.15 1.79 0.07 0.00 -0.52 0.00 0.00 55.73 57.22 1qf7 s ARG 72 Cb 0.10 -2.92 -0.02 0.00 0.52 0.00 0.00 34.95 32.63 1qf7 s ARG 72 CO 0.16 -0.02 -0.26 0.15 0.02 0.00 0.00 175.30 175.35 1qf7 s LYS 73 N -1.90 2.25 0.00 3.54 1.02 -1.26 -5.04 119.74 118.35 1qf7 s LYS 73 Ca 0.51 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.57 1qf7 s LYS 73 Cb -0.30 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 1qf7 s LYS 73 CO 0.39 0.50 0.00 0.41 -0.92 0.00 0.00 175.35 175.73 1qf7 n GLY 74 N 2.60 0.85 0.07 -3.33 0.00 -1.26 -5.07 105.19 99.05 1qf7 n GLY 74 Ca -0.16 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1qf7 n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qf7 n SER 75 N 0.00 0.00 -4.72 1.61 3.41 -1.26 -5.07 113.62 107.58 1qf7 n SER 75 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1qf7 n SER 75 Cb 0.00 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 1qf7 n SER 75 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qf7 n GLU 76 N -0.94 2.52 -1.02 4.33 1.02 -1.26 -1.77 120.64 123.52 1qf7 n GLU 76 Ca 0.00 0.90 -0.01 0.00 -0.02 0.00 0.00 57.16 58.03 1qf7 n GLU 76 Cb 0.00 -2.65 -0.00 0.00 -0.02 0.00 0.00 31.44 28.77 1qf7 n GLU 76 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1qf7 n ASN 77 N 2.21 -4.92 -4.93 1.62 3.02 -1.26 -5.01 115.26 105.99 1qf7 n ASN 77 Ca 0.10 0.01 -0.29 0.00 -0.03 0.00 0.00 54.58 54.37 1qf7 n ASN 77 Cb 0.35 -2.47 -0.04 0.00 -0.61 0.00 0.00 39.78 37.01 1qf7 n ASN 77 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1qf7 s TYR 78 N -1.40 3.51 0.40 3.10 2.02 -0.73 -5.09 117.35 119.15 1qf7 s TYR 78 Ca 0.00 0.20 -0.24 0.00 -0.37 0.00 0.00 57.07 56.66 1qf7 s TYR 78 Cb 0.00 -1.72 -0.09 0.00 -0.40 0.00 0.00 41.96 39.75 1qf7 s TYR 78 CO 0.00 0.56 1.05 0.00 -1.57 0.00 0.00 175.55 175.59 1qf7 s ALA 79 N -1.59 3.09 0.03 3.71 0.00 -1.26 -5.02 121.76 120.71 1qf7 s ALA 79 Ca 0.35 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 1qf7 s ALA 79 Cb -0.12 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 1qf7 s ALA 79 CO 0.28 -0.21 1.45 -1.17 0.00 0.00 0.00 175.76 176.12 1qf7 s LEU 80 N -2.64 4.33 0.22 0.00 2.96 -1.26 -5.00 118.68 117.30 1qf7 s LEU 80 Ca 0.58 2.23 0.01 0.00 -0.22 0.00 0.00 54.13 56.72 1qf7 s LEU 80 Cb -0.22 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.86 1qf7 s LEU 80 CO 0.27 -0.75 0.07 0.42 -1.32 0.00 0.00 176.35 175.05 1qf7 s THR 81 N 2.25 0.52 1.05 3.68 -4.23 -1.26 -1.55 115.64 116.10 1qf7 s THR 81 Ca 0.66 -1.99 -0.15 0.00 -1.18 0.00 0.00 61.69 59.02 1qf7 s THR 81 Cb -0.34 -2.46 0.21 0.00 1.34 0.00 0.00 72.50 71.26 1qf7 s THR 81 CO 0.28 -0.15 1.15 0.42 -0.54 0.00 0.00 174.62 175.78 1qf7 s THR 82 N -3.78 1.85 0.04 3.99 -4.23 -0.11 -4.89 115.64 108.51 1qf7 s THR 82 Ca 0.34 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 61.17 1qf7 s THR 82 Cb 0.07 -2.64 0.34 0.00 1.34 0.00 0.00 72.50 71.62 1qf7 s THR 82 CO 0.10 0.00 1.96 0.78 -0.54 0.00 0.00 174.62 176.92 1qf7 h ASN 83 N -2.01 0.00 -0.35 3.99 2.35 -1.98 -2.01 115.58 115.57 1qf7 h ASN 83 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1qf7 h ASN 83 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 1qf7 h ASN 83 CO 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.25 1qf7 n GLN 84 N -2.75 2.03 -0.90 0.81 1.13 -1.26 -4.95 117.38 111.50 1qf7 n GLN 84 Ca -0.00 -1.58 0.00 0.00 -1.94 0.00 0.00 57.00 53.48 1qf7 n GLN 84 Cb 0.19 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.14 1qf7 n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qf7 n GLY 85 N 1.25 0.45 3.70 1.08 0.00 -0.75 -5.05 105.19 105.87 1qf7 n GLY 85 Ca 0.16 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 1qf7 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qf7 s VAL 86 N -2.00 4.96 0.35 1.61 1.01 -1.26 -4.81 120.40 120.27 1qf7 s VAL 86 Ca 0.00 1.63 -0.27 0.00 0.00 0.00 0.00 61.98 63.34 1qf7 s VAL 86 Cb 0.00 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 1qf7 s VAL 86 CO 0.00 0.17 1.17 -0.13 0.00 0.00 0.00 175.10 176.31 1qf7 s ARG 87 N 1.23 4.29 -0.19 2.72 0.52 -1.26 -0.94 118.95 125.32 1qf7 s ARG 87 Ca 0.41 1.90 -0.11 0.00 -0.52 0.00 0.00 55.73 57.40 1qf7 s ARG 87 Cb -0.18 -2.90 -0.05 0.00 0.52 0.00 0.00 34.95 32.34 1qf7 s ARG 87 CO 0.19 -0.13 0.19 0.42 0.02 0.00 0.00 175.30 175.98 1qf7 s ILE 88 N -1.29 5.37 -0.13 1.52 1.01 -0.59 -4.89 121.20 122.20 1qf7 s ILE 88 Ca 0.52 0.31 -0.14 0.00 0.00 0.00 0.00 60.65 61.34 1qf7 s ILE 88 Cb -0.33 -3.53 -0.25 0.00 0.01 0.00 0.00 42.46 38.36 1qf7 s ILE 88 CO 0.42 0.41 0.43 0.00 0.00 0.00 0.00 174.94 176.20 1qf7 h ALA 89 N 6.74 0.28 -3.48 9.38 0.00 -1.94 -3.46 119.26 126.79 1qf7 h ALA 89 Ca -0.41 -1.22 -0.61 0.00 0.00 0.00 0.00 54.91 52.68 1qf7 h ALA 89 Cb 1.16 0.61 -0.39 0.00 0.00 0.00 0.00 17.79 19.16 1qf7 h ALA 89 CO 0.75 0.97 -0.76 0.34 0.00 0.00 0.00 179.25 180.55 1qf7 s ASP 90 N -7.01 4.08 -0.11 0.00 -1.08 -1.26 -4.96 116.67 106.33 1qf7 s ASP 90 Ca -0.22 -1.54 0.10 0.00 -0.52 0.00 0.00 52.55 50.36 1qf7 s ASP 90 Cb 0.05 -1.16 0.47 0.00 -1.46 0.00 0.00 42.92 40.83 1qf7 s ASP 90 CO 0.73 -0.33 1.27 -0.67 0.52 0.00 0.00 175.17 176.69 1qf7 n ASP 91 N 4.65 3.52 -0.00 -0.34 2.03 -1.26 -4.20 116.55 120.94 1qf7 n ASP 91 Ca -0.05 -2.43 0.07 0.00 0.52 0.00 0.00 54.79 52.91 1qf7 n ASP 91 Cb 0.43 -0.54 -0.11 0.00 -0.72 0.00 0.00 41.12 40.18 1qf7 n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qf7 n GLN 92 N 0.48 0.98 -4.06 -0.67 1.13 -1.26 -5.06 117.38 108.91 1qf7 n GLN 92 Ca 0.16 -0.10 -0.13 0.00 -1.94 0.00 0.00 57.00 55.00 1qf7 n GLN 92 Cb 0.72 -1.31 -0.12 0.00 0.11 0.00 0.00 30.24 29.65 1qf7 n GLN 92 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1qf7 s ASN 93 N -3.32 0.79 0.49 1.08 0.01 -1.26 -5.15 114.94 107.57 1qf7 s ASN 93 Ca -0.02 -0.51 -0.11 0.00 -0.71 0.00 0.00 52.86 51.51 1qf7 s ASN 93 Cb 0.10 0.03 -0.06 0.00 0.41 0.00 0.00 41.25 41.74 1qf7 s ASN 93 CO 0.62 -0.19 0.87 -0.44 -1.51 0.00 0.00 177.10 176.45 1qf7 s SER 94 N -1.45 6.43 -0.16 -1.22 0.01 -1.26 -4.99 113.70 111.06 1qf7 s SER 94 Ca -0.09 1.24 -0.29 0.00 1.31 0.00 0.00 55.95 58.12 1qf7 s SER 94 Cb -0.09 -2.38 -0.00 0.00 0.21 0.00 0.00 66.02 63.76 1qf7 s SER 94 CO 0.00 -0.57 0.99 -0.22 0.41 0.00 0.00 173.24 173.85 1qf7 s LEU 95 N -4.36 4.18 0.16 2.44 2.96 -1.26 -5.00 118.68 117.81 1qf7 s LEU 95 Ca 0.53 1.41 0.02 0.00 -0.22 0.00 0.00 54.13 55.87 1qf7 s LEU 95 Cb -0.10 -3.49 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 1qf7 s LEU 95 CO 0.39 -0.52 -0.02 0.00 -1.32 0.00 0.00 176.35 174.88 1qf7 s ARG 96 N 2.47 1.07 -1.00 1.98 1.70 -1.26 -0.43 118.95 123.47 1qf7 s ARG 96 Ca 0.45 -1.50 -0.18 0.00 -0.47 0.00 0.00 55.73 54.03 1qf7 s ARG 96 Cb -0.17 -0.29 0.14 0.00 -0.57 0.00 0.00 34.95 34.06 1qf7 s ARG 96 CO 0.13 -0.10 1.21 0.00 -1.08 0.00 0.00 175.30 175.46 1qf7 s ALA 97 N -3.62 3.52 0.00 7.88 0.00 -0.92 -4.77 121.76 123.84 1qf7 s ALA 97 Ca 0.22 -2.91 0.00 0.00 0.00 0.00 0.00 51.96 49.26 1qf7 s ALA 97 Cb 0.06 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 19.10 1qf7 s ALA 97 CO 0.02 -2.94 0.00 0.41 0.00 0.00 0.00 175.76 173.26 1qf7 n GLY 98 N 5.16 0.55 0.24 0.00 0.00 -1.26 -3.69 105.19 106.19 1qf7 n GLY 98 Ca 0.27 -1.58 0.16 0.00 0.00 0.00 0.00 46.02 44.88 1qf7 n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qf7 h SER 99 N 0.00 0.00 -0.14 1.61 4.64 -2.00 0.19 113.55 117.86 1qf7 h SER 99 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qf7 h SER 99 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qf7 h SER 99 CO 0.00 0.00 -0.01 0.54 -0.87 0.00 0.00 176.83 176.49 1qf7 n ARG 100 N -2.73 2.12 -2.42 4.77 1.74 -1.26 -5.07 116.66 113.81 1qf7 n ARG 100 Ca -0.00 -2.73 -0.25 0.00 -0.77 0.00 0.00 57.85 54.10 1qf7 n ARG 100 Cb 0.19 -1.68 0.13 0.00 -1.02 0.00 0.00 32.46 30.07 1qf7 n ARG 100 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1qf7 s GLY 101 N -2.40 1.76 0.46 -0.13 0.00 0.05 -5.06 107.32 102.01 1qf7 s GLY 101 Ca 0.37 -1.59 -0.22 0.00 0.00 0.00 0.00 44.72 43.29 1qf7 s GLY 101 CO 0.06 -0.98 1.07 2.56 0.00 0.00 0.00 173.10 175.82 1qf7 s PRO 102 N -5.32 3.86 0.28 2.90 0.04 -1.26 -4.61 135.00 130.88 1qf7 s PRO 102 Ca 0.68 1.51 -0.29 0.00 0.04 0.00 0.00 61.00 62.93 1qf7 s PRO 102 Cb -0.05 -2.28 -0.10 0.00 0.04 0.00 0.00 34.50 32.12 1qf7 s PRO 102 CO 0.46 -0.41 1.18 0.99 0.04 0.00 0.00 177.00 179.27 1qf7 s THR 103 N -1.78 3.25 0.17 1.26 2.01 -1.26 -2.17 115.64 117.11 1qf7 s THR 103 Ca 0.64 1.22 -0.12 0.00 0.31 0.00 0.00 61.69 63.75 1qf7 s THR 103 Cb -0.21 -3.78 -0.07 0.00 0.01 0.00 0.00 72.50 68.45 1qf7 s THR 103 CO 0.26 0.28 0.52 -0.76 -0.69 0.00 0.00 174.62 174.22 1qf7 s LEU 104 N -1.35 4.28 0.51 4.42 1.43 0.43 -4.96 118.68 123.44 1qf7 s LEU 104 Ca 0.47 0.96 0.25 0.00 -1.03 0.00 0.00 54.13 54.78 1qf7 s LEU 104 Cb -0.35 -3.37 1.39 0.00 0.03 0.00 0.00 46.19 43.89 1qf7 s LEU 104 CO 0.44 0.05 2.06 0.25 0.23 0.00 0.00 176.35 179.38 1qf7 h LEU 105 N 3.19 0.00 0.00 1.79 5.85 -1.95 -2.79 115.31 121.40 1qf7 h LEU 105 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1qf7 h LEU 105 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1qf7 h LEU 105 CO 0.67 0.13 0.00 -1.84 -0.34 0.00 0.00 178.44 177.06 1qf7 n GLU 106 N -3.77 0.82 -2.46 1.25 0.28 -1.26 -4.58 120.64 110.93 1qf7 n GLU 106 Ca -0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.59 1qf7 n GLU 106 Cb 0.23 -1.33 -0.03 0.00 1.43 0.00 0.00 31.44 31.75 1qf7 n GLU 106 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1qf7 s ASP 107 N -1.72 6.32 0.32 -1.84 -1.08 -1.05 -4.75 116.67 112.86 1qf7 s ASP 107 Ca 0.26 -1.68 0.26 0.00 -0.52 0.00 0.00 52.55 50.87 1qf7 s ASP 107 Cb 0.12 -2.57 0.88 0.00 -1.46 0.00 0.00 42.92 39.89 1qf7 s ASP 107 CO 0.20 -1.68 1.76 2.19 0.52 0.00 0.00 175.17 178.16 1qf7 h PHE 108 N 9.28 0.00 0.13 -5.34 -0.00 -1.91 -2.34 116.94 116.76 1qf7 h PHE 108 Ca 0.27 0.00 -0.22 0.00 -0.00 0.00 0.00 57.97 58.02 1qf7 h PHE 108 Cb 0.96 0.00 0.02 0.00 -0.00 0.00 0.00 35.95 36.93 1qf7 h PHE 108 CO 1.31 0.00 -0.92 0.82 -0.00 0.00 0.00 178.31 179.52 1qf7 h ILE 109 N 0.00 1.44 0.04 0.88 2.04 -1.98 -2.21 117.51 117.71 1qf7 h ILE 109 Ca 0.00 -2.46 -0.00 0.00 1.00 0.00 0.00 64.86 63.40 1qf7 h ILE 109 Cb 0.62 3.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.71 1qf7 h ILE 109 CO 0.00 0.71 -0.02 0.25 0.00 0.00 0.00 178.15 179.09 1qf7 h LEU 110 N -0.17 -0.04 -0.67 1.44 5.85 -1.93 -2.43 115.31 117.35 1qf7 h LEU 110 Ca -0.15 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1qf7 h LEU 110 Cb 1.69 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.70 1qf7 h LEU 110 CO 0.17 0.07 0.29 0.03 -0.34 0.00 0.00 178.44 178.66 1qf7 h ARG 111 N -0.15 0.99 -0.41 1.25 3.08 -1.45 0.16 114.38 117.84 1qf7 h ARG 111 Ca -0.01 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1qf7 h ARG 111 Cb 0.13 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1qf7 h ARG 111 CO 0.01 0.81 0.27 1.49 -1.07 0.00 0.00 179.97 181.48 1qf7 h GLU 112 N 0.94 0.54 -0.17 0.04 4.81 -1.35 0.31 114.58 119.71 1qf7 h GLU 112 Ca 0.23 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1qf7 h GLU 112 Cb 0.18 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1qf7 h GLU 112 CO -0.02 0.37 0.02 -0.22 -0.73 0.00 0.00 179.01 178.43 1qf7 h LYS 113 N 0.55 0.29 -0.17 1.92 3.64 -0.93 -0.45 116.57 121.43 1qf7 h LYS 113 Ca 0.15 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 59.29 1qf7 h LYS 113 Cb -0.05 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1qf7 h LYS 113 CO -0.03 0.47 -0.55 0.82 -2.27 0.00 0.00 179.45 177.88 1qf7 h ILE 114 N 0.07 1.33 -0.47 2.00 1.08 -0.61 -2.56 117.51 118.35 1qf7 h ILE 114 Ca 0.05 -1.82 -0.01 0.00 -0.39 0.00 0.00 64.86 62.69 1qf7 h ILE 114 Cb 0.32 1.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 1qf7 h ILE 114 CO 0.00 0.56 0.24 0.74 -0.69 0.00 0.00 178.15 179.00 1qf7 h THR 115 N 0.38 1.18 -0.50 -0.27 2.02 -0.07 0.78 112.91 116.44 1qf7 h THR 115 Ca 0.01 -0.49 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 1qf7 h THR 115 Cb 1.09 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1qf7 h THR 115 CO 0.10 0.19 0.14 -0.74 0.37 0.00 0.00 175.52 175.58 1qf7 h HIS 116 N 0.62 0.83 -0.07 3.16 -0.00 -1.05 -2.16 115.15 116.48 1qf7 h HIS 116 Ca 0.16 -0.09 0.04 0.00 -0.00 0.00 0.00 60.37 60.48 1qf7 h HIS 116 Cb 0.09 -0.24 -0.05 0.00 -0.00 0.00 0.00 27.41 27.22 1qf7 h HIS 116 CO -0.01 0.73 -0.22 0.35 -0.00 0.00 0.00 177.93 178.78 1qf7 h PHE 117 N 0.69 -0.58 -0.44 5.26 3.57 -1.24 -2.08 116.94 122.13 1qf7 h PHE 117 Ca 0.16 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.81 1qf7 h PHE 117 Cb 0.31 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1qf7 h PHE 117 CO 0.02 -0.30 0.34 -0.44 -2.23 0.00 0.00 178.31 175.69 1qf7 h ASP 118 N -0.31 0.00 -0.49 0.41 3.32 -0.52 -2.61 116.42 116.22 1qf7 h ASP 118 Ca 0.08 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.90 1qf7 h ASP 118 Cb 0.43 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.84 1qf7 h ASP 118 CO -0.25 0.00 0.09 1.41 -1.72 0.00 0.00 179.24 178.77 1qf7 n HIS 119 N -4.27 1.54 0.04 4.55 8.25 -0.80 -4.73 115.22 119.80 1qf7 n HIS 119 Ca 0.08 -1.56 -0.06 0.00 -0.26 0.00 0.00 57.72 55.92 1qf7 n HIS 119 Cb 0.53 -0.58 0.11 0.00 1.12 0.00 0.00 29.99 31.18 1qf7 n HIS 119 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1qf7 h GLU 120 N 1.18 0.41 -6.70 -0.41 5.08 -1.22 -3.46 114.58 109.46 1qf7 h GLU 120 Ca 0.28 -0.24 -0.50 0.00 -1.00 0.00 0.00 59.36 57.91 1qf7 h GLU 120 Cb 1.92 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.16 1qf7 h GLU 120 CO 0.54 0.83 0.15 1.03 -1.00 0.00 0.00 179.01 180.55 1qf7 s ARG 121 N -4.01 4.20 0.23 2.33 1.81 -1.26 -5.09 118.95 117.15 1qf7 s ARG 121 Ca -0.06 0.87 0.10 0.00 -1.72 0.00 0.00 55.73 54.92 1qf7 s ARG 121 Cb 0.12 -2.65 -0.05 0.00 -0.45 0.00 0.00 34.95 31.93 1qf7 s ARG 121 CO 0.81 0.26 -0.17 0.96 -0.68 0.00 0.00 175.30 176.48 1qf7 s ILE 122 N -1.76 2.06 0.41 1.52 -4.36 -1.26 -5.11 121.20 112.69 1qf7 s ILE 122 Ca 0.49 -2.27 -0.27 0.00 -0.26 0.00 0.00 60.65 58.35 1qf7 s ILE 122 Cb -0.14 -2.14 -0.10 0.00 1.25 0.00 0.00 42.46 41.34 1qf7 s ILE 122 CO 0.19 -0.49 1.42 -2.65 0.24 0.00 0.00 174.94 173.65 1qf7 n PRO 123 N -0.42 2.35 -1.84 0.37 -0.02 -1.26 -4.98 135.00 129.19 1qf7 n PRO 123 Ca -0.07 0.83 -0.30 0.00 -2.02 0.00 0.00 63.50 61.94 1qf7 n PRO 123 Cb 0.60 -2.58 0.06 0.00 -0.02 0.00 0.00 33.50 31.56 1qf7 n PRO 123 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1qf7 s GLU 124 N -2.23 2.64 0.39 -0.52 -1.05 -1.26 -4.88 118.70 111.78 1qf7 s GLU 124 Ca 0.58 0.44 -0.28 0.00 -0.15 0.00 0.00 54.97 55.56 1qf7 s GLU 124 Cb -0.48 -2.00 -0.11 0.00 -0.44 0.00 0.00 34.13 31.11 1qf7 s GLU 124 CO 0.60 -1.18 1.49 0.54 0.95 0.00 0.00 175.26 177.66 1qf7 n ARG 125 N -3.10 2.65 -0.36 -4.83 1.74 -1.26 -4.90 116.66 106.60 1qf7 n ARG 125 Ca 0.07 0.93 -0.01 0.00 -0.77 0.00 0.00 57.85 58.08 1qf7 n ARG 125 Cb 0.58 -2.68 0.14 0.00 -1.02 0.00 0.00 32.46 29.48 1qf7 n ARG 125 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 1qf7 h ILE 126 N 2.89 1.21 -3.50 0.55 3.07 -1.98 -3.33 117.51 116.41 1qf7 h ILE 126 Ca -0.51 -0.44 -0.31 0.00 1.55 0.00 0.00 64.86 65.14 1qf7 h ILE 126 Cb 1.24 -0.19 -0.15 0.00 -0.27 0.00 0.00 36.82 37.45 1qf7 h ILE 126 CO 0.64 0.24 -0.72 0.68 -1.05 0.00 0.00 178.15 177.94 1qf7 s VAL 127 N -6.07 1.08 -1.87 0.16 -7.23 -1.26 -4.82 120.40 100.38 1qf7 s VAL 127 Ca -0.13 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 1qf7 s VAL 127 Cb 0.19 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.39 1qf7 s VAL 127 CO 0.82 -0.72 0.00 1.41 -0.31 0.00 0.00 175.10 176.29 1qf7 n HIS 128 N -0.03 -0.72 0.26 2.82 8.25 -0.22 -4.89 115.22 120.69 1qf7 n HIS 128 Ca -0.12 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.46 1qf7 n HIS 128 Cb 0.60 -3.81 0.72 0.00 1.12 0.00 0.00 29.99 28.63 1qf7 n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qf7 h ALA 129 N 0.72 1.49 -2.37 -1.41 0.00 -1.70 -3.39 119.26 112.61 1qf7 h ALA 129 Ca -0.47 -0.09 -0.68 0.00 0.00 0.00 0.00 54.91 53.67 1qf7 h ALA 129 Cb 1.36 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.96 1qf7 h ALA 129 CO 0.59 0.12 -0.14 0.50 0.00 0.00 0.00 179.25 180.32 1qf7 s ARG 130 N -4.48 3.23 0.11 0.00 6.06 -1.24 -4.01 118.95 118.62 1qf7 s ARG 130 Ca -0.04 -0.59 -0.18 0.00 -2.50 0.00 0.00 55.73 52.42 1qf7 s ARG 130 Cb 0.15 -3.93 0.04 0.00 0.06 0.00 0.00 34.95 31.27 1qf7 s ARG 130 CO 0.61 -0.82 0.43 0.20 -2.50 0.00 0.00 175.30 173.21 1qf7 s GLY 131 N 1.83 -0.33 -0.04 8.12 0.00 -1.26 -1.16 107.32 114.48 1qf7 s GLY 131 Ca 0.15 0.10 0.03 0.00 0.00 0.00 0.00 44.72 45.00 1qf7 s GLY 131 CO 0.14 -0.17 -0.13 -0.56 0.00 0.00 0.00 173.10 172.38 1qf7 s SER 132 N -2.65 1.69 0.20 1.64 0.01 0.11 -4.93 113.70 109.77 1qf7 s SER 132 Ca 0.01 -0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.04 1qf7 s SER 132 Cb 0.01 -0.51 -0.05 0.00 0.21 0.00 0.00 66.02 65.68 1qf7 s SER 132 CO -0.10 0.10 -0.04 0.00 0.41 0.00 0.00 173.24 173.60 1qf7 s ALA 133 N 0.20 1.66 0.02 1.44 0.00 -1.26 -0.14 121.76 123.68 1qf7 s ALA 133 Ca -0.05 -1.66 -0.28 0.00 0.00 0.00 0.00 51.96 49.97 1qf7 s ALA 133 Cb -0.11 0.33 0.07 0.00 0.00 0.00 0.00 23.12 23.41 1qf7 s ALA 133 CO 0.02 -0.20 0.64 0.00 0.00 0.00 0.00 175.76 176.22 1qf7 s ALA 134 N -3.40 -1.68 0.44 0.00 0.00 -0.40 -4.58 121.76 112.15 1qf7 s ALA 134 Ca 0.24 1.01 -0.15 0.00 0.00 0.00 0.00 51.96 53.06 1qf7 s ALA 134 Cb 0.04 0.29 -0.08 0.00 0.00 0.00 0.00 23.12 23.38 1qf7 s ALA 134 CO 0.05 -0.50 0.87 -1.01 0.00 0.00 0.00 175.76 175.18 1qf7 s HIS 135 N -2.05 3.43 0.00 0.00 3.76 0.15 -1.01 115.29 119.58 1qf7 s HIS 135 Ca -0.07 1.31 0.00 0.00 -0.15 0.00 0.00 55.06 56.14 1qf7 s HIS 135 Cb -0.00 -2.64 0.00 0.00 1.11 0.00 0.00 32.58 31.04 1qf7 s HIS 135 CO 0.02 -0.18 0.00 0.41 -0.85 0.00 0.00 174.74 174.14 1qf7 n GLY 136 N -1.18 1.80 3.32 -2.22 0.00 -0.81 -1.56 105.19 104.54 1qf7 n GLY 136 Ca 0.05 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 1qf7 n GLY 136 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qf7 s TYR 137 N -2.01 0.03 0.09 1.61 1.13 -0.31 -0.86 117.35 117.03 1qf7 s TYR 137 Ca 0.00 -0.40 0.07 0.00 -1.41 0.00 0.00 57.07 55.33 1qf7 s TYR 137 Cb 0.00 0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.95 1qf7 s TYR 137 CO 0.00 -0.69 -0.18 0.12 -2.51 0.00 0.00 175.55 172.29 1qf7 s PHE 138 N -3.86 1.52 -0.16 -3.49 5.36 0.42 -0.37 117.98 117.40 1qf7 s PHE 138 Ca 0.07 -0.44 -0.11 0.00 -0.96 0.00 0.00 56.93 55.50 1qf7 s PHE 138 Cb 0.03 -0.84 0.05 0.00 -0.34 0.00 0.00 43.02 41.91 1qf7 s PHE 138 CO -0.08 0.14 0.39 -1.14 -1.46 0.00 0.00 175.22 173.07 1qf7 s GLN 139 N -1.82 0.41 0.47 10.12 0.74 -0.72 -0.81 119.66 128.05 1qf7 s GLN 139 Ca 0.03 0.67 -0.20 0.00 0.05 0.00 0.00 55.36 55.91 1qf7 s GLN 139 Cb -0.10 0.07 -0.09 0.00 1.10 0.00 0.00 33.01 33.99 1qf7 s GLN 139 CO 0.03 -0.12 1.00 -1.25 -0.55 0.00 0.00 175.29 174.41 1qf7 s PRO 140 N 0.91 3.97 0.25 1.67 0.04 -1.26 -1.29 135.00 139.29 1qf7 s PRO 140 Ca -0.06 1.25 0.12 0.00 0.04 0.00 0.00 61.00 62.36 1qf7 s PRO 140 Cb -0.06 -2.13 0.20 0.00 0.04 0.00 0.00 34.50 32.55 1qf7 s PRO 140 CO -0.07 -0.27 1.51 1.88 0.04 0.00 0.00 177.00 180.08 1qf7 h TYR 141 N 1.67 0.00 -3.13 0.56 0.05 -1.45 -3.39 116.97 111.27 1qf7 h TYR 141 Ca -0.49 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.30 1qf7 h TYR 141 Cb 1.20 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.86 1qf7 h TYR 141 CO 0.59 0.65 0.14 -1.59 -1.05 0.00 0.00 178.16 176.90 1qf7 s LYS 142 N -3.21 1.54 0.24 4.88 -2.85 -1.26 -4.77 119.74 114.30 1qf7 s LYS 142 Ca 0.01 -0.85 -0.30 0.00 -1.00 0.00 0.00 55.97 53.82 1qf7 s LYS 142 Cb 0.10 0.57 -0.10 0.00 -2.06 0.00 0.00 37.83 36.34 1qf7 s LYS 142 CO 0.76 -0.68 1.45 0.45 0.10 0.00 0.00 175.35 177.43 1qf7 s SER 143 N -2.87 6.65 -0.26 0.03 0.15 -1.26 -4.66 113.70 111.47 1qf7 s SER 143 Ca 0.09 2.65 0.12 0.00 0.70 0.00 0.00 55.95 59.51 1qf7 s SER 143 Cb -0.03 -2.62 0.55 0.00 -1.71 0.00 0.00 66.02 62.21 1qf7 s SER 143 CO -0.00 -0.71 1.52 0.18 1.20 0.00 0.00 173.24 175.42 1qf7 n LEU 144 N 2.55 4.42 0.26 3.45 4.77 -0.15 -4.71 117.00 127.58 1qf7 n LEU 144 Ca 0.08 -3.41 0.17 0.00 -0.03 0.00 0.00 56.01 52.82 1qf7 n LEU 144 Cb 0.40 -0.63 0.86 0.00 -2.33 0.00 0.00 43.42 41.73 1qf7 n LEU 144 CO 0.61 0.97 1.02 0.77 -1.33 0.00 0.00 177.39 179.42 1qf7 h SER 145 N 1.48 0.00 0.29 -1.43 4.64 -1.76 0.27 113.55 117.03 1qf7 h SER 145 Ca 0.17 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.40 1qf7 h SER 145 Cb 1.73 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.81 1qf7 h SER 145 CO 0.41 0.00 -0.36 0.44 -0.87 0.00 0.00 176.83 176.45 1qf7 h ASP 146 N 0.00 0.11 0.00 4.97 3.32 -1.98 -3.34 116.42 119.50 1qf7 h ASP 146 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1qf7 h ASP 146 Cb 0.16 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1qf7 h ASP 146 CO 0.00 0.47 -1.42 2.30 -1.72 0.00 0.00 179.24 178.87 1qf7 n ILE 147 N -4.09 0.00 -3.77 0.35 -5.35 -0.03 -4.84 119.36 101.63 1qf7 n ILE 147 Ca -0.02 -0.24 -0.13 0.00 -0.27 0.00 0.00 62.75 62.10 1qf7 n ILE 147 Cb 0.42 0.30 -0.10 0.00 -1.74 0.00 0.00 39.64 38.52 1qf7 n ILE 147 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1qf7 s THR 148 N -2.68 0.02 -1.77 7.28 -1.32 -0.55 -3.40 115.64 113.23 1qf7 s THR 148 Ca -0.03 -0.19 0.15 0.00 -1.21 0.00 0.00 61.69 60.40 1qf7 s THR 148 Cb 0.07 -0.48 0.47 0.00 -1.51 0.00 0.00 72.50 71.04 1qf7 s THR 148 CO 0.44 -0.11 1.37 2.29 -2.21 0.00 0.00 174.62 176.40 1qf7 n LYS 149 N 2.32 2.41 -1.67 7.08 2.85 0.27 -3.70 118.16 127.72 1qf7 n LYS 149 Ca -0.16 -1.88 -0.43 0.00 -1.05 0.00 0.00 58.31 54.79 1qf7 n LYS 149 Cb 0.57 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.43 1qf7 n LYS 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qf7 n ALA 150 N 0.90 1.65 0.05 0.58 0.00 -1.22 -4.66 120.51 117.81 1qf7 n ALA 150 Ca 0.17 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1qf7 n ALA 150 Cb 0.50 -2.65 0.32 0.00 0.00 0.00 0.00 19.45 17.62 1qf7 n ALA 150 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1qf7 h ASP 151 N 10.08 0.38 0.65 0.00 3.58 -1.91 -1.72 116.42 127.49 1qf7 h ASP 151 Ca -0.49 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 56.88 1qf7 h ASP 151 Cb 1.24 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1qf7 h ASP 151 CO 0.94 0.51 0.00 2.22 -2.88 0.00 0.00 179.24 180.03 1qf7 n PHE 152 N -4.26 0.41 -0.55 0.28 -1.74 -1.26 -2.00 117.46 108.34 1qf7 n PHE 152 Ca 0.00 0.16 0.08 0.00 -0.56 0.00 0.00 57.45 57.13 1qf7 n PHE 152 Cb 0.27 -0.75 0.25 0.00 1.52 0.00 0.00 39.48 40.77 1qf7 n PHE 152 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1qf7 n LEU 153 N -1.87 3.80 -0.19 5.98 4.77 -0.65 -4.66 117.00 124.18 1qf7 n LEU 153 Ca 0.03 -2.42 0.12 0.00 -0.03 0.00 0.00 56.01 53.71 1qf7 n LEU 153 Cb 0.21 -0.43 0.21 0.00 -2.33 0.00 0.00 43.42 41.08 1qf7 n LEU 153 CO 0.17 0.75 0.45 -1.54 -1.33 0.00 0.00 177.39 175.89 1qf7 n SER 154 N 0.47 1.04 -3.65 -1.43 3.41 -0.85 -0.98 113.62 111.63 1qf7 n SER 154 Ca 0.19 -0.83 -0.08 0.00 -0.26 0.00 0.00 58.87 57.90 1qf7 n SER 154 Cb 0.71 0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 64.92 1qf7 n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qf7 s ASP 155 N -2.70 -0.89 0.58 4.04 -1.08 -1.26 -4.55 116.67 110.81 1qf7 s ASP 155 Ca 0.17 1.43 0.32 0.00 -0.52 0.00 0.00 52.55 53.95 1qf7 s ASP 155 Cb 0.18 1.30 1.76 0.00 -1.46 0.00 0.00 42.92 44.71 1qf7 s ASP 155 CO 0.62 -0.23 2.19 1.55 0.52 0.00 0.00 175.17 179.82 1qf7 h PRO 156 N 7.00 0.00 0.00 4.34 0.13 -1.83 -0.70 132.00 140.95 1qf7 h PRO 156 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1qf7 h PRO 156 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1qf7 h PRO 156 CO 0.18 0.05 -0.42 0.09 -0.23 0.00 0.00 178.00 177.66 1qf7 n ASN 157 N -3.60 0.56 -4.62 1.44 3.02 -1.26 -4.51 115.26 106.29 1qf7 n ASN 157 Ca -0.02 0.13 -0.43 0.00 -0.03 0.00 0.00 54.58 54.23 1qf7 n ASN 157 Cb 0.15 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.27 1qf7 n ASN 157 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1qf7 s LYS 158 N -3.09 3.92 -0.14 3.52 2.20 -0.27 -5.02 119.74 120.86 1qf7 s LYS 158 Ca 0.09 0.85 -0.06 0.00 -0.36 0.00 0.00 55.97 56.49 1qf7 s LYS 158 Cb 0.15 -3.81 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 1qf7 s LYS 158 CO 0.67 -1.09 0.06 0.96 -0.36 0.00 0.00 175.35 175.59 1qf7 s ILE 159 N 3.95 4.81 -0.21 5.43 -5.25 -1.26 -4.49 121.20 124.19 1qf7 s ILE 159 Ca 0.46 -0.04 -0.03 0.00 -0.99 0.00 0.00 60.65 60.05 1qf7 s ILE 159 Cb -0.10 -3.11 -0.00 0.00 2.95 0.00 0.00 42.46 42.20 1qf7 s ILE 159 CO 0.22 0.55 -0.08 -0.89 -1.79 0.00 0.00 174.94 172.95 1qf7 s THR 160 N -0.36 3.10 0.49 8.37 2.01 0.01 -4.97 115.64 124.29 1qf7 s THR 160 Ca 0.09 -0.58 -0.23 0.00 0.31 0.00 0.00 61.69 61.27 1qf7 s THR 160 Cb -0.12 -2.39 -0.07 0.00 0.01 0.00 0.00 72.50 69.93 1qf7 s THR 160 CO 0.02 0.45 1.32 -2.84 -0.69 0.00 0.00 174.62 172.88 1qf7 s PRO 161 N 1.41 3.50 0.17 4.92 0.02 -1.26 -0.44 135.00 143.32 1qf7 s PRO 161 Ca 0.05 2.15 0.04 0.00 0.02 0.00 0.00 61.00 63.26 1qf7 s PRO 161 Cb -0.14 -2.44 -0.05 0.00 0.02 0.00 0.00 34.50 31.90 1qf7 s PRO 161 CO -0.05 -0.88 -0.07 0.14 -0.33 0.00 0.00 177.00 175.82 1qf7 s VAL 162 N -1.33 1.07 -0.10 3.83 -7.23 -0.04 -1.79 120.40 114.82 1qf7 s VAL 162 Ca 0.66 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 1qf7 s VAL 162 Cb -0.38 -2.00 0.02 0.00 0.56 0.00 0.00 36.38 34.58 1qf7 s VAL 162 CO 0.47 -0.62 -0.08 0.12 -0.31 0.00 0.00 175.10 174.68 1qf7 s PHE 163 N -3.39 1.39 -0.03 2.82 5.36 -0.69 -1.92 117.98 121.52 1qf7 s PHE 163 Ca 0.20 -0.64 0.07 0.00 -0.96 0.00 0.00 56.93 55.60 1qf7 s PHE 163 Cb 0.04 -1.14 -0.02 0.00 -0.34 0.00 0.00 43.02 41.55 1qf7 s PHE 163 CO 0.03 -0.44 -0.23 0.08 -1.46 0.00 0.00 175.22 173.19 1qf7 s VAL 164 N 1.49 2.26 -0.12 3.12 1.01 -0.18 -0.48 120.40 127.50 1qf7 s VAL 164 Ca 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1qf7 s VAL 164 Cb -0.13 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.46 1qf7 s VAL 164 CO -0.05 0.58 -0.16 -0.60 0.00 0.00 0.00 175.10 174.87 1qf7 s ARG 165 N -0.59 2.33 -0.03 2.72 3.52 -0.04 -1.27 118.95 125.58 1qf7 s ARG 165 Ca 0.09 -0.59 -0.04 0.00 -0.13 0.00 0.00 55.73 55.06 1qf7 s ARG 165 Cb -0.10 -1.99 -0.04 0.00 -1.56 0.00 0.00 34.95 31.25 1qf7 s ARG 165 CO -0.00 -0.09 0.18 -0.06 -0.81 0.00 0.00 175.30 174.52 1qf7 s PHE 166 N 1.07 3.56 0.22 5.12 0.08 0.80 -1.96 117.98 126.86 1qf7 s PHE 166 Ca -0.04 0.42 -0.16 0.00 0.12 0.00 0.00 56.93 57.27 1qf7 s PHE 166 Cb -0.15 -1.87 0.01 0.00 -0.57 0.00 0.00 43.02 40.45 1qf7 s PHE 166 CO -0.03 0.66 0.51 -1.54 -0.10 0.00 0.00 175.22 174.72 1qf7 s SER 167 N -1.71 -0.18 0.41 1.36 1.04 -0.92 0.07 113.70 113.77 1qf7 s SER 167 Ca 0.25 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1qf7 s SER 167 Cb -0.13 0.59 0.03 0.00 0.10 0.00 0.00 66.02 66.61 1qf7 s SER 167 CO 0.15 -1.10 0.18 0.35 0.98 0.00 0.00 173.24 173.80 1qf7 n THR 168 N -0.35 0.00 -0.04 2.02 -2.24 -0.31 0.02 114.28 113.36 1qf7 n THR 168 Ca -0.07 -0.30 -0.10 0.00 -2.27 0.00 0.00 64.05 61.32 1qf7 n THR 168 Cb 0.62 -1.25 -0.03 0.00 -2.10 0.00 0.00 70.33 67.57 1qf7 n THR 168 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1qf7 n VAL 169 N -1.61 0.49 -0.04 2.28 0.31 -1.19 -3.90 118.33 114.67 1qf7 n VAL 169 Ca 0.03 -0.13 -0.11 0.00 -0.01 0.00 0.00 64.34 64.12 1qf7 n VAL 169 Cb 0.11 -1.61 -0.10 0.00 -0.91 0.00 0.00 33.84 31.33 1qf7 n VAL 169 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1qf7 h GLN 170 N -0.31 -0.04 -7.28 5.55 -0.00 -1.96 -0.56 115.11 110.51 1qf7 h GLN 170 Ca -0.23 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 57.91 1qf7 h GLN 170 Cb 1.20 0.01 0.16 0.00 0.00 0.00 0.00 27.48 28.85 1qf7 h GLN 170 CO -0.14 0.65 0.28 0.20 0.00 0.00 0.00 178.83 179.82 1qf7 s GLY 171 N -3.81 1.73 1.04 2.39 0.00 -1.26 -4.76 107.32 102.65 1qf7 s GLY 171 Ca -0.15 0.46 -0.15 0.00 0.00 0.00 0.00 44.72 44.89 1qf7 s GLY 171 CO 0.55 0.85 1.14 -0.32 0.00 0.00 0.00 173.10 175.32 1qf7 s GLY 172 N -2.96 1.60 0.56 0.20 0.00 -1.26 -3.71 107.32 101.74 1qf7 s GLY 172 Ca 0.65 -0.70 0.23 0.00 0.00 0.00 0.00 44.72 44.90 1qf7 s GLY 172 CO 0.56 0.01 2.18 0.00 0.00 0.00 0.00 173.10 175.85 1qf7 h ALA 173 N -1.99 1.82 -0.53 3.20 0.00 -1.95 -0.85 119.26 118.97 1qf7 h ALA 173 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1qf7 h ALA 173 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1qf7 h ALA 173 CO 0.49 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1qf7 n GLY 174 N -1.45 1.86 3.96 0.00 0.00 -1.26 -4.75 105.19 103.55 1qf7 n GLY 174 Ca -0.02 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 1qf7 n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qf7 s SER 175 N -0.89 3.81 0.37 1.61 1.04 -0.32 -5.07 113.70 114.25 1qf7 s SER 175 Ca 0.38 -0.07 -0.13 0.00 0.48 0.00 0.00 55.95 56.61 1qf7 s SER 175 Cb 0.22 -0.17 -0.08 0.00 0.10 0.00 0.00 66.02 66.10 1qf7 s SER 175 CO 0.22 -2.25 0.77 0.00 0.98 0.00 0.00 173.24 172.96 1qf7 s ALA 176 N -3.48 3.31 0.02 5.32 0.00 -1.26 -4.93 121.76 120.75 1qf7 s ALA 176 Ca 0.70 -0.05 -0.18 0.00 0.00 0.00 0.00 51.96 52.43 1qf7 s ALA 176 Cb -0.05 -2.77 -0.25 0.00 0.00 0.00 0.00 23.12 20.05 1qf7 s ALA 176 CO 0.48 0.15 1.10 -0.44 0.00 0.00 0.00 175.76 177.05 1qf7 h ASP 177 N 1.73 0.67 -0.60 0.00 3.32 -1.16 -3.37 116.42 117.02 1qf7 h ASP 177 Ca -0.48 -0.79 -0.39 0.00 0.02 0.00 0.00 57.03 55.40 1qf7 h ASP 177 Cb 1.18 -0.21 -0.17 0.00 0.22 0.00 0.00 39.33 40.35 1qf7 h ASP 177 CO 0.64 1.38 0.50 0.35 -1.72 0.00 0.00 179.24 180.40 1qf7 n THR 178 N -4.05 2.87 -1.20 0.35 -2.24 -1.26 -4.90 114.28 103.84 1qf7 n THR 178 Ca -0.11 -1.81 -0.29 0.00 -2.27 0.00 0.00 64.05 59.56 1qf7 n THR 178 Cb 0.79 -1.19 0.18 0.00 -2.10 0.00 0.00 70.33 68.01 1qf7 n THR 178 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1qf7 s VAL 179 N -2.73 1.96 -0.33 2.28 -7.23 -1.26 -4.38 120.40 108.71 1qf7 s VAL 179 Ca 0.38 0.00 -0.19 0.00 -1.81 0.00 0.00 61.98 60.36 1qf7 s VAL 179 Cb 0.30 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.71 1qf7 s VAL 179 CO 0.01 0.00 0.54 -0.60 -0.31 0.00 0.00 175.10 174.74 1qf7 s ARG 180 N -5.06 3.75 0.19 4.82 3.52 -1.26 -4.57 118.95 120.33 1qf7 s ARG 180 Ca 0.66 0.01 -0.23 0.00 -0.13 0.00 0.00 55.73 56.05 1qf7 s ARG 180 Cb -0.17 -3.77 0.07 0.00 -1.56 0.00 0.00 34.95 29.52 1qf7 s ARG 180 CO 0.57 -0.59 1.00 0.34 -0.81 0.00 0.00 175.30 175.81 1qf7 s ASP 181 N 1.71 -0.06 0.60 -2.12 -1.08 -0.74 -4.59 116.67 110.40 1qf7 s ASP 181 Ca 0.21 -0.61 -0.09 0.00 -0.52 0.00 0.00 52.55 51.54 1qf7 s ASP 181 Cb -0.15 0.52 -0.02 0.00 -1.46 0.00 0.00 42.92 41.80 1qf7 s ASP 181 CO 0.13 -1.00 0.97 -0.63 0.52 0.00 0.00 175.17 175.16 1qf7 s ILE 182 N -2.56 4.37 0.00 4.11 -1.09 -1.26 -4.58 121.20 120.19 1qf7 s ILE 182 Ca 0.18 0.53 0.07 0.00 -2.23 0.00 0.00 60.65 59.20 1qf7 s ILE 182 Cb -0.02 -3.74 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 1qf7 s ILE 182 CO 0.05 -0.89 -0.22 -0.13 -1.23 0.00 0.00 174.94 172.52 1qf7 s ARG 183 N -5.09 2.13 0.37 2.79 1.81 -1.26 -3.20 118.95 116.50 1qf7 s ARG 183 Ca 0.54 -0.93 -0.09 0.00 -1.72 0.00 0.00 55.73 53.53 1qf7 s ARG 183 Cb -0.11 -2.14 -0.06 0.00 -0.45 0.00 0.00 34.95 32.19 1qf7 s ARG 183 CO 0.50 0.56 0.72 0.20 -0.68 0.00 0.00 175.30 176.60 1qf7 s GLY 184 N -0.95 1.93 -0.38 -3.53 0.00 0.10 -0.74 107.32 103.75 1qf7 s GLY 184 Ca 0.12 -0.28 0.04 0.00 0.00 0.00 0.00 44.72 44.59 1qf7 s GLY 184 CO 0.01 -0.11 0.42 -0.12 0.00 0.00 0.00 173.10 173.30 1qf7 s PHE 185 N -2.29 -0.53 -0.15 1.90 2.19 0.37 -2.16 117.98 117.31 1qf7 s PHE 185 Ca 0.49 -0.66 -0.03 0.00 0.33 0.00 0.00 56.93 57.06 1qf7 s PHE 185 Cb -0.10 -0.29 -0.03 0.00 -1.31 0.00 0.00 43.02 41.29 1qf7 s PHE 185 CO 0.31 -1.00 -0.05 0.00 1.83 0.00 0.00 175.22 176.31 1qf7 s ALA 186 N 1.48 2.98 -0.08 11.12 0.00 -0.83 -1.61 121.76 134.83 1qf7 s ALA 186 Ca 0.17 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1qf7 s ALA 186 Cb -0.13 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.49 1qf7 s ALA 186 CO -0.03 0.25 -0.12 0.99 0.00 0.00 0.00 175.76 176.85 1qf7 s THR 187 N 0.25 1.14 -0.30 0.00 2.01 -0.38 -0.86 115.64 117.50 1qf7 s THR 187 Ca -0.03 -0.45 -0.10 0.00 0.31 0.00 0.00 61.69 61.41 1qf7 s THR 187 Cb -0.14 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 1qf7 s THR 187 CO 0.03 0.36 0.17 -0.75 -0.69 0.00 0.00 174.62 173.75 1qf7 s LYS 188 N 0.88 3.61 -0.33 4.92 2.20 0.37 -0.93 119.74 130.45 1qf7 s LYS 188 Ca -0.10 -0.54 -0.16 0.00 -0.36 0.00 0.00 55.97 54.81 1qf7 s LYS 188 Cb -0.15 -3.62 -0.01 0.00 -1.51 0.00 0.00 37.83 32.54 1qf7 s LYS 188 CO 0.01 -0.32 0.39 -0.06 -0.36 0.00 0.00 175.35 175.01 1qf7 s PHE 189 N 1.68 3.21 -1.17 4.03 0.40 0.62 -1.70 117.98 125.05 1qf7 s PHE 189 Ca 0.06 0.07 -0.15 0.00 -0.60 0.00 0.00 56.93 56.30 1qf7 s PHE 189 Cb -0.17 -2.70 0.15 0.00 0.51 0.00 0.00 43.02 40.81 1qf7 s PHE 189 CO 0.08 -0.43 1.42 0.71 0.70 0.00 0.00 175.22 177.71 1qf7 s TYR 190 N 2.09 3.33 0.67 0.36 1.51 -0.74 -1.00 117.35 123.57 1qf7 s TYR 190 Ca 0.13 -1.92 -0.05 0.00 -1.01 0.00 0.00 57.07 54.22 1qf7 s TYR 190 Cb -0.16 -4.37 0.05 0.00 -0.11 0.00 0.00 41.96 37.37 1qf7 s TYR 190 CO 0.12 -1.47 0.96 0.95 -1.11 0.00 0.00 175.55 174.99 1qf7 s THR 191 N 2.15 2.44 -0.87 -0.71 -4.23 -0.96 -4.33 115.64 109.13 1qf7 s THR 191 Ca 0.42 -0.33 0.23 0.00 -1.18 0.00 0.00 61.69 60.83 1qf7 s THR 191 Cb -0.02 -3.03 0.21 0.00 1.34 0.00 0.00 72.50 71.00 1qf7 s THR 191 CO -0.01 -0.03 1.73 -0.62 -0.54 0.00 0.00 174.62 175.15 1qf7 n GLU 192 N -2.78 0.08 -0.24 3.99 1.02 -1.26 -2.27 120.64 119.17 1qf7 n GLU 192 Ca 0.08 0.18 0.09 0.00 -0.02 0.00 0.00 57.16 57.48 1qf7 n GLU 192 Cb 0.60 -1.61 0.16 0.00 -0.02 0.00 0.00 31.44 30.57 1qf7 n GLU 192 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1qf7 n GLU 193 N -1.75 1.34 0.00 3.49 1.02 -1.26 -4.84 120.64 118.64 1qf7 n GLU 193 Ca 0.05 -2.77 0.00 0.00 -0.02 0.00 0.00 57.16 54.42 1qf7 n GLU 193 Cb 0.29 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1qf7 n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qf7 n GLY 194 N -1.31 3.20 3.73 0.62 0.00 -0.96 -4.78 105.19 105.69 1qf7 n GLY 194 Ca 0.17 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 1qf7 n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qf7 s ILE 195 N -2.26 3.91 -0.23 -0.61 -1.09 -1.26 -2.27 121.20 117.40 1qf7 s ILE 195 Ca 0.00 1.56 0.01 0.00 -2.23 0.00 0.00 60.65 60.00 1qf7 s ILE 195 Cb 0.00 -4.00 0.04 0.00 -1.58 0.00 0.00 42.46 36.92 1qf7 s ILE 195 CO 0.00 0.23 -0.13 0.12 -1.23 0.00 0.00 174.94 173.92 1qf7 s PHE 196 N 0.13 3.05 -0.27 3.97 5.36 -0.17 -4.31 117.98 125.74 1qf7 s PHE 196 Ca 0.52 -1.94 -0.13 0.00 -0.96 0.00 0.00 56.93 54.42 1qf7 s PHE 196 Cb -0.29 -1.95 -0.04 0.00 -0.34 0.00 0.00 43.02 40.39 1qf7 s PHE 196 CO 0.34 -0.83 0.28 -0.51 -1.46 0.00 0.00 175.22 173.03 1qf7 s ASP 197 N 1.21 6.14 -0.56 6.13 1.01 -0.67 -0.28 116.67 129.66 1qf7 s ASP 197 Ca -0.02 0.14 -0.14 0.00 0.71 0.00 0.00 52.55 53.24 1qf7 s ASP 197 Cb -0.17 -2.16 0.14 0.00 1.01 0.00 0.00 42.92 41.74 1qf7 s ASP 197 CO -0.08 -0.11 0.49 -0.22 0.21 0.00 0.00 175.17 175.47 1qf7 s LEU 198 N 1.87 6.12 -0.58 1.23 0.20 -0.11 -4.50 118.68 122.92 1qf7 s LEU 198 Ca 0.11 -1.94 -0.12 0.00 0.69 0.00 0.00 54.13 52.87 1qf7 s LEU 198 Cb -0.16 -2.16 0.15 0.00 -0.43 0.00 0.00 46.19 43.59 1qf7 s LEU 198 CO 0.10 -0.78 0.49 -0.69 -0.29 0.00 0.00 176.35 175.18 1qf7 s VAL 199 N 1.35 4.75 0.29 1.68 1.01 -1.26 -1.25 120.40 126.97 1qf7 s VAL 199 Ca 0.06 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 60.09 1qf7 s VAL 199 Cb -0.27 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.06 1qf7 s VAL 199 CO 0.01 -0.87 0.01 0.61 0.00 0.00 0.00 175.10 174.86 1qf7 n GLY 200 N 4.69 3.79 2.18 4.51 0.00 -0.63 -4.87 105.19 114.87 1qf7 n GLY 200 Ca -0.04 -2.27 -0.16 0.00 0.00 0.00 0.00 46.02 43.55 1qf7 n GLY 200 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qf7 n ASN 201 N -1.26 0.86 -1.46 1.61 3.02 -0.67 -0.48 115.26 116.87 1qf7 n ASN 201 Ca -0.11 -2.42 0.08 0.00 -0.03 0.00 0.00 54.58 52.09 1qf7 n ASN 201 Cb 0.38 0.75 0.34 0.00 -0.61 0.00 0.00 39.78 40.64 1qf7 n ASN 201 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1qf7 n ASN 202 N -1.78 4.79 -4.04 6.41 6.94 0.08 -0.85 115.26 126.80 1qf7 n ASN 202 Ca -0.02 -2.73 -0.14 0.00 -0.02 0.00 0.00 54.58 51.67 1qf7 n ASN 202 Cb 0.40 -0.59 -0.12 0.00 -2.36 0.00 0.00 39.78 37.11 1qf7 n ASN 202 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1qf7 s THR 203 N -2.36 0.55 -1.31 5.53 -4.23 -1.26 -4.54 115.64 108.01 1qf7 s THR 203 Ca 0.48 -0.85 0.27 0.00 -1.18 0.00 0.00 61.69 60.41 1qf7 s THR 203 Cb 0.35 -0.57 0.40 0.00 1.34 0.00 0.00 72.50 74.02 1qf7 s THR 203 CO 0.17 -0.23 1.90 -0.81 -0.54 0.00 0.00 174.62 175.12 1qf7 n PRO 204 N 1.87 0.28 -4.42 3.99 -0.04 -1.26 -4.63 135.00 130.80 1qf7 n PRO 204 Ca -0.20 0.04 -0.21 0.00 -0.04 0.00 0.00 63.50 63.09 1qf7 n PRO 204 Cb 0.56 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 1qf7 n PRO 204 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1qf7 s ILE 205 N -2.69 0.90 0.46 0.52 -0.00 -1.26 -4.51 121.20 114.61 1qf7 s ILE 205 Ca 0.22 -2.00 0.07 0.00 -0.00 0.00 0.00 60.65 58.94 1qf7 s ILE 205 Cb 0.18 -2.68 0.00 0.00 -0.00 0.00 0.00 42.46 39.96 1qf7 s ILE 205 CO 0.43 0.00 0.42 0.12 -0.00 0.00 0.00 174.94 175.91 1qf7 s PHE 206 N -3.43 2.36 0.17 1.37 5.36 -0.09 -4.86 117.98 118.87 1qf7 s PHE 206 Ca 0.35 -0.59 0.01 0.00 -0.96 0.00 0.00 56.93 55.74 1qf7 s PHE 206 Cb 0.08 -2.12 0.03 0.00 -0.34 0.00 0.00 43.02 40.67 1qf7 s PHE 206 CO 0.15 -0.28 1.40 0.74 -1.46 0.00 0.00 175.22 175.77 1qf7 h PHE 207 N 0.90 0.38 -2.85 10.12 0.04 -1.89 -3.39 116.94 120.25 1qf7 h PHE 207 Ca -0.39 -0.19 -0.46 0.00 2.80 0.00 0.00 57.97 59.73 1qf7 h PHE 207 Cb 1.28 -0.05 -0.14 0.00 2.20 0.00 0.00 35.95 39.23 1qf7 h PHE 207 CO 0.61 0.97 -0.73 0.96 -0.60 0.00 0.00 178.31 179.52 1qf7 s ILE 208 N -3.37 1.75 -0.19 -0.55 -4.36 -1.26 -2.83 121.20 110.39 1qf7 s ILE 208 Ca -0.04 -2.21 -0.07 0.00 -0.26 0.00 0.00 60.65 58.07 1qf7 s ILE 208 Cb 0.10 -2.07 -0.21 0.00 1.25 0.00 0.00 42.46 41.53 1qf7 s ILE 208 CO 0.83 -0.58 0.10 0.00 0.24 0.00 0.00 174.94 175.53 1qf7 n GLN 209 N -0.40 0.69 -5.18 0.37 6.02 -1.26 -4.59 117.38 113.04 1qf7 n GLN 209 Ca -0.08 0.27 -0.32 0.00 -0.01 0.00 0.00 57.00 56.86 1qf7 n GLN 209 Cb 0.60 -1.64 -0.16 0.00 1.02 0.00 0.00 30.24 30.07 1qf7 n GLN 209 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1qf7 s ASP 210 N -6.90 3.31 0.62 1.08 -1.08 -1.26 -2.54 116.67 109.90 1qf7 s ASP 210 Ca -0.29 -0.42 0.33 0.00 -0.52 0.00 0.00 52.55 51.65 1qf7 s ASP 210 Cb 0.08 -0.72 1.86 0.00 -1.46 0.00 0.00 42.92 42.68 1qf7 s ASP 210 CO 0.67 0.29 2.15 0.00 0.52 0.00 0.00 175.17 178.80 1qf7 h ALA 211 N 5.77 1.50 -0.12 3.66 0.00 -1.70 -2.31 119.26 126.06 1qf7 h ALA 211 Ca -0.38 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1qf7 h ALA 211 Cb 1.15 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1qf7 h ALA 211 CO 0.48 -0.20 0.10 1.25 0.00 0.00 0.00 179.25 180.88 1qf7 h HIS 212 N 0.00 0.00 -0.10 0.00 6.17 -1.95 -0.49 115.15 118.78 1qf7 h HIS 212 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1qf7 h HIS 212 Cb 0.36 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.29 1qf7 h HIS 212 CO 0.00 0.00 0.00 1.63 0.71 0.00 0.00 177.93 180.27 1qf7 n LYS 213 N -4.22 1.87 -0.22 5.26 5.02 -0.87 -4.47 118.16 120.52 1qf7 n LYS 213 Ca -0.00 -1.28 -0.00 0.00 -2.02 0.00 0.00 58.31 55.00 1qf7 n LYS 213 Cb 0.22 -1.45 0.11 0.00 -0.02 0.00 0.00 35.03 33.89 1qf7 n LYS 213 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1qf7 h PHE 214 N 2.88 0.57 -0.11 2.13 3.57 -1.22 -0.53 116.94 124.23 1qf7 h PHE 214 Ca 0.00 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 1qf7 h PHE 214 Cb 0.62 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1qf7 h PHE 214 CO 0.06 0.22 -0.32 -1.35 -2.23 0.00 0.00 178.31 174.69 1qf7 h PRO 215 N 0.56 0.20 0.08 6.41 0.11 -1.80 0.08 132.00 137.65 1qf7 h PRO 215 Ca 0.32 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 66.34 1qf7 h PRO 215 Cb 0.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1qf7 h PRO 215 CO -0.25 0.51 -0.04 -0.44 -0.21 0.00 0.00 178.00 177.57 1qf7 h ASP 216 N 0.18 -0.10 -0.50 -2.05 3.32 -1.52 0.22 116.42 115.98 1qf7 h ASP 216 Ca 0.02 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1qf7 h ASP 216 Cb 0.66 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1qf7 h ASP 216 CO 0.05 0.30 0.31 0.15 -1.72 0.00 0.00 179.24 178.33 1qf7 h PHE 217 N -0.51 0.64 -0.32 4.55 3.57 -0.93 -0.45 116.94 123.49 1qf7 h PHE 217 Ca -0.01 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 1qf7 h PHE 217 Cb 0.43 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1qf7 h PHE 217 CO 0.05 0.42 -0.46 0.28 -2.23 0.00 0.00 178.31 176.37 1qf7 h VAL 218 N 0.67 1.28 -0.73 1.41 2.07 -0.94 -0.70 116.25 119.30 1qf7 h VAL 218 Ca 0.18 -1.64 0.06 0.00 0.82 0.00 0.00 66.70 66.11 1qf7 h VAL 218 Cb -0.05 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 1qf7 h VAL 218 CO -0.04 0.54 0.43 0.45 0.02 0.00 0.00 177.57 178.97 1qf7 h HIS 219 N 0.68 0.80 -0.42 1.57 3.86 -0.32 -0.26 115.15 121.05 1qf7 h HIS 219 Ca 0.03 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.19 1qf7 h HIS 219 Cb 1.07 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.27 1qf7 h HIS 219 CO 0.07 0.40 -0.08 0.00 0.86 0.00 0.00 177.93 179.18 1qf7 h ALA 220 N 1.36 1.08 0.07 2.45 0.00 -0.52 -3.21 119.26 120.48 1qf7 h ALA 220 Ca 0.32 -0.29 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 1qf7 h ALA 220 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1qf7 h ALA 220 CO -0.17 0.57 -1.18 -0.24 0.00 0.00 0.00 179.25 178.23 1qf7 h VAL 221 N 0.66 1.54 -3.36 0.00 3.04 -0.68 -2.70 116.25 114.76 1qf7 h VAL 221 Ca 0.12 -3.18 -0.44 0.00 -1.01 0.00 0.00 66.70 62.19 1qf7 h VAL 221 Cb 0.53 2.87 0.21 0.00 -2.01 0.00 0.00 31.29 32.89 1qf7 h VAL 221 CO 0.03 0.91 0.04 -0.54 -1.01 0.00 0.00 177.57 177.00 1qf7 s LYS 222 N -2.67 -0.76 0.25 4.17 -0.14 -0.15 -4.61 119.74 115.82 1qf7 s LYS 222 Ca -0.02 0.83 -0.31 0.00 -1.36 0.00 0.00 55.97 55.10 1qf7 s LYS 222 Cb 0.08 -1.57 -0.13 0.00 -1.68 0.00 0.00 37.83 34.53 1qf7 s LYS 222 CO 0.85 -3.61 1.41 -2.30 -0.76 0.00 0.00 175.35 170.94 1qf7 n PRO 223 N -4.84 2.07 -1.95 -1.68 -0.02 -1.26 -4.79 135.00 122.54 1qf7 n PRO 223 Ca 0.03 0.74 -0.40 0.00 -2.02 0.00 0.00 63.50 61.85 1qf7 n PRO 223 Cb 0.54 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.62 1qf7 n PRO 223 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1qf7 s GLU 224 N -0.47 4.09 0.47 -0.52 2.02 0.44 -4.71 118.70 120.03 1qf7 s GLU 224 Ca 0.67 2.35 0.20 0.00 0.02 0.00 0.00 54.97 58.22 1qf7 s GLU 224 Cb -0.64 -2.91 1.18 0.00 0.10 0.00 0.00 34.13 31.87 1qf7 s GLU 224 CO 0.50 -0.46 2.01 -1.00 0.02 0.00 0.00 175.26 176.33 1qf7 h PRO 225 N 2.94 0.00 -0.07 0.39 0.13 -1.90 0.27 132.00 133.77 1qf7 h PRO 225 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 1qf7 h PRO 225 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1qf7 h PRO 225 CO 0.64 0.17 -0.12 1.12 -0.23 0.00 0.00 178.00 179.58 1qf7 h HIS 226 N 0.00 0.25 -0.00 1.56 2.07 -1.96 -3.39 115.15 113.67 1qf7 h HIS 226 Ca -0.00 -0.09 0.00 0.00 -2.85 0.00 0.00 60.37 57.43 1qf7 h HIS 226 Cb 0.36 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 30.29 1qf7 h HIS 226 CO 0.00 0.71 -0.22 -2.67 -3.07 0.00 0.00 177.93 172.68 1qf7 n TRP 227 N -4.64 0.00 -3.32 6.12 4.27 -1.22 -5.03 117.44 113.61 1qf7 n TRP 227 Ca -0.08 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.37 1qf7 n TRP 227 Cb 0.36 0.00 0.08 0.00 -1.36 0.00 0.00 31.31 30.39 1qf7 n TRP 227 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1qf7 n ALA 228 N -0.52 -2.15 -2.89 -1.67 0.00 0.96 -5.00 120.51 109.24 1qf7 n ALA 228 Ca 0.03 0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 1qf7 n ALA 228 Cb 0.16 -3.68 -0.13 0.00 0.00 0.00 0.00 19.45 15.80 1qf7 n ALA 228 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1qf7 s ILE 229 N -3.36 0.12 0.21 0.00 1.01 -1.25 -4.69 121.20 113.24 1qf7 s ILE 229 Ca 0.18 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.51 1qf7 s ILE 229 Cb -0.02 -0.17 -0.03 0.00 0.01 0.00 0.00 42.46 42.24 1qf7 s ILE 229 CO 0.72 -0.16 0.25 -2.16 0.00 0.00 0.00 174.94 173.59 1qf7 s PRO 230 N -0.56 3.19 -0.07 2.79 0.04 -1.26 -0.42 135.00 138.72 1qf7 s PRO 230 Ca -0.05 -0.83 -0.21 0.00 0.04 0.00 0.00 61.00 59.95 1qf7 s PRO 230 Cb -0.04 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 1qf7 s PRO 230 CO -0.00 0.45 0.62 -1.14 0.04 0.00 0.00 177.00 176.97 1qf7 s GLN 231 N -3.60 4.39 -1.40 4.56 2.00 -1.26 -4.03 119.66 120.32 1qf7 s GLN 231 Ca 0.33 0.73 0.00 0.00 -2.00 0.00 0.00 55.36 54.42 1qf7 s GLN 231 Cb -0.09 -3.42 0.00 0.00 0.80 0.00 0.00 33.01 30.30 1qf7 s GLN 231 CO 0.27 0.16 0.00 0.41 -0.50 0.00 0.00 175.29 175.62 1qf7 n GLY 232 N 3.01 0.34 2.92 2.59 0.00 -1.26 -4.98 105.19 107.81 1qf7 n GLY 232 Ca -0.04 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 1qf7 n GLY 232 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qf7 s GLN 233 N -4.27 0.06 0.00 1.61 -0.21 -1.26 -4.42 119.66 111.17 1qf7 s GLN 233 Ca 0.00 0.07 0.27 0.00 0.02 0.00 0.00 55.36 55.72 1qf7 s GLN 233 Cb 0.00 0.03 0.89 0.00 1.00 0.00 0.00 33.01 34.93 1qf7 s GLN 233 CO 0.00 -0.01 1.66 -1.13 -2.12 0.00 0.00 175.29 173.69 1qf7 n SER 234 N 3.05 1.77 -3.52 5.90 3.41 -1.26 -4.76 113.62 118.22 1qf7 n SER 234 Ca -0.12 -1.59 -0.40 0.00 -0.26 0.00 0.00 58.87 56.50 1qf7 n SER 234 Cb 0.60 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 1qf7 n SER 234 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qf7 n ALA 235 N 0.39 6.19 -3.39 7.33 0.00 -1.26 -4.58 120.51 125.18 1qf7 n ALA 235 Ca 0.18 -3.58 -0.11 0.00 0.00 0.00 0.00 53.44 49.93 1qf7 n ALA 235 Cb 0.40 -3.45 -0.02 0.00 0.00 0.00 0.00 19.45 16.38 1qf7 n ALA 235 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1qf7 s HIS 236 N 2.91 -0.45 0.17 0.00 -3.43 -1.26 -4.71 115.29 108.53 1qf7 s HIS 236 Ca 0.57 0.20 -0.16 0.00 -0.80 0.00 0.00 55.06 54.87 1qf7 s HIS 236 Cb 0.15 0.52 0.13 0.00 -1.43 0.00 0.00 32.58 31.96 1qf7 s HIS 236 CO -0.06 -0.86 1.67 -0.44 -2.00 0.00 0.00 174.74 173.05 1qf7 h ASP 237 N 2.06 -0.33 -0.75 7.38 5.19 -1.88 -2.98 116.42 125.11 1qf7 h ASP 237 Ca -0.33 0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.16 1qf7 h ASP 237 Cb 1.30 0.24 -0.03 0.00 0.18 0.00 0.00 39.33 41.02 1qf7 h ASP 237 CO 0.38 -0.12 0.30 0.71 -3.12 0.00 0.00 179.24 177.39 1qf7 h THR 238 N 0.04 1.25 0.89 0.35 1.35 -1.95 -0.65 112.91 114.19 1qf7 h THR 238 Ca 0.22 -0.80 -0.04 0.00 -0.55 0.00 0.00 66.41 65.24 1qf7 h THR 238 Cb 0.33 0.35 0.01 0.00 -1.73 0.00 0.00 68.15 67.10 1qf7 h THR 238 CO -0.43 0.32 -0.43 0.15 -0.25 0.00 0.00 175.52 174.89 1qf7 h PHE 239 N 1.10 -1.10 0.00 4.73 3.57 -1.32 -1.95 116.94 121.97 1qf7 h PHE 239 Ca 0.25 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1qf7 h PHE 239 Cb 0.21 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 1qf7 h PHE 239 CO 0.02 -0.69 -0.06 -1.49 -2.23 0.00 0.00 178.31 173.86 1qf7 h TRP 240 N -1.20 0.00 0.30 0.41 4.06 -1.53 -0.67 115.95 117.33 1qf7 h TRP 240 Ca -0.12 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.81 1qf7 h TRP 240 Cb 0.91 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.08 1qf7 h TRP 240 CO -0.01 0.06 -0.14 0.22 -3.56 0.00 0.00 178.44 175.00 1qf7 h ASP 241 N 0.00 -0.34 -0.08 -3.49 3.58 -1.01 -0.76 116.42 114.32 1qf7 h ASP 241 Ca -0.00 -0.14 0.03 0.00 0.42 0.00 0.00 57.03 57.34 1qf7 h ASP 241 Cb 0.16 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 1qf7 h ASP 241 CO 0.01 -0.05 -0.09 0.22 -2.88 0.00 0.00 179.24 176.45 1qf7 h TYR 242 N -0.65 -0.22 -0.75 0.28 3.20 -0.76 -2.38 116.97 115.69 1qf7 h TYR 242 Ca -0.04 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.90 1qf7 h TYR 242 Cb 0.46 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 1qf7 h TYR 242 CO 0.00 -0.14 0.45 0.28 -1.64 0.00 0.00 178.16 177.11 1qf7 h VAL 243 N -0.12 1.02 0.00 1.81 2.07 -1.12 -1.27 116.25 118.63 1qf7 h VAL 243 Ca 0.06 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1qf7 h VAL 243 Cb 0.21 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1qf7 h VAL 243 CO -0.15 0.15 -0.08 0.77 0.02 0.00 0.00 177.57 178.27 1qf7 h SER 244 N 0.83 0.00 -0.01 0.57 4.64 -0.65 -2.22 113.55 116.71 1qf7 h SER 244 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1qf7 h SER 244 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1qf7 h SER 244 CO -0.16 0.08 -0.47 0.18 -0.87 0.00 0.00 176.83 175.59 1qf7 n LEU 245 N -3.54 1.91 -3.31 5.97 4.77 -0.85 -4.70 117.00 117.25 1qf7 n LEU 245 Ca -0.02 -0.75 -0.25 0.00 -0.03 0.00 0.00 56.01 54.96 1qf7 n LEU 245 Cb 0.21 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.21 1qf7 n LEU 245 CO 0.28 0.36 -0.30 0.00 -1.33 0.00 0.00 177.39 176.41 1qf7 n GLN 246 N -0.10 0.35 0.21 3.23 1.13 -0.54 -5.00 117.38 116.66 1qf7 n GLN 246 Ca 0.08 -3.14 0.18 0.00 -1.94 0.00 0.00 57.00 52.19 1qf7 n GLN 246 Cb 0.44 -1.53 0.81 0.00 0.11 0.00 0.00 30.24 30.07 1qf7 n GLN 246 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1qf7 h PRO 247 N 5.11 0.00 -0.52 -1.09 0.13 -1.84 -1.08 132.00 132.71 1qf7 h PRO 247 Ca 0.20 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.48 1qf7 h PRO 247 Cb 0.91 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 1qf7 h PRO 247 CO 0.39 0.00 0.48 1.05 -0.23 0.00 0.00 178.00 179.69 1qf7 h GLU 248 N 0.00 0.00 0.00 0.86 4.11 -1.88 -1.04 114.58 116.62 1qf7 h GLU 248 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1qf7 h GLU 248 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1qf7 h GLU 248 CO -0.00 0.00 0.00 1.79 0.07 0.00 0.00 179.01 180.87 1qf7 h THR 249 N 0.00 0.00 -0.82 -1.06 1.35 -1.03 -3.35 112.91 107.99 1qf7 h THR 249 Ca 0.25 -0.62 0.10 0.00 -0.55 0.00 0.00 66.41 65.60 1qf7 h THR 249 Cb 1.21 1.57 -0.06 0.00 -1.73 0.00 0.00 68.15 69.14 1qf7 h THR 249 CO -0.00 0.00 0.54 -0.07 -0.25 0.00 0.00 175.52 175.73 1qf7 h LEU 250 N 0.00 0.68 0.15 3.87 3.38 -1.38 -1.46 115.31 120.55 1qf7 h LEU 250 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1qf7 h LEU 250 Cb 0.67 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1qf7 h LEU 250 CO 0.00 0.39 -0.07 -0.74 0.09 0.00 0.00 178.44 178.11 1qf7 h HIS 251 N 0.75 -0.19 0.00 1.13 2.76 -1.80 -0.68 115.15 117.11 1qf7 h HIS 251 Ca 0.39 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.49 1qf7 h HIS 251 Cb 0.49 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 1qf7 h HIS 251 CO -0.00 0.09 -0.30 -0.97 -1.30 0.00 0.00 177.93 175.45 1qf7 h ASN 252 N -0.46 0.00 -0.61 3.26 -0.00 -1.74 -2.19 115.58 113.84 1qf7 h ASN 252 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.27 1qf7 h ASN 252 Cb 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.66 1qf7 h ASN 252 CO 0.03 0.30 0.34 0.58 -0.00 0.00 0.00 177.43 178.68 1qf7 h VAL 253 N 0.00 1.20 -0.13 2.57 2.07 -1.00 -0.22 116.25 120.74 1qf7 h VAL 253 Ca -0.00 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1qf7 h VAL 253 Cb 0.78 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1qf7 h VAL 253 CO 0.04 0.21 -0.05 0.24 0.02 0.00 0.00 177.57 178.03 1qf7 h MET 254 N 0.83 -0.03 -0.62 1.57 2.86 -0.47 0.42 114.93 119.49 1qf7 h MET 254 Ca 0.22 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.92 1qf7 h MET 254 Cb 0.04 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.65 1qf7 h MET 254 CO -0.03 -0.02 0.32 -1.49 1.06 0.00 0.00 176.91 176.75 1qf7 h TRP 255 N -0.03 0.59 -0.88 -0.22 4.06 -1.35 -1.65 115.95 116.47 1qf7 h TRP 255 Ca 0.07 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.03 1qf7 h TRP 255 Cb 0.13 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 28.07 1qf7 h TRP 255 CO -0.18 0.26 0.51 0.00 -3.56 0.00 0.00 178.44 175.47 1qf7 h ALA 256 N 1.35 1.12 0.00 1.49 0.00 -0.59 -2.14 119.26 120.49 1qf7 h ALA 256 Ca 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1qf7 h ALA 256 Cb 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1qf7 h ALA 256 CO -0.20 0.61 0.00 0.52 0.00 0.00 0.00 179.25 180.18 1qf7 h MET 257 N 1.22 0.00 -7.64 0.00 2.86 -0.42 -3.31 114.93 107.64 1qf7 h MET 257 Ca 0.31 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.51 1qf7 h MET 257 Cb -0.01 0.00 0.16 0.00 0.06 0.00 0.00 31.60 31.81 1qf7 h MET 257 CO -0.05 0.00 0.33 -1.54 1.06 0.00 0.00 176.91 176.70 1qf7 s SER 258 N -4.97 2.74 0.00 1.22 1.04 -0.67 -4.06 113.70 109.00 1qf7 s SER 258 Ca 0.07 0.52 0.12 0.00 0.48 0.00 0.00 55.95 57.14 1qf7 s SER 258 Cb 0.10 -0.74 0.56 0.00 0.10 0.00 0.00 66.02 66.04 1qf7 s SER 258 CO 0.55 -2.99 1.37 0.47 0.98 0.00 0.00 173.24 173.62 1qf7 n ASP 259 N -3.98 0.00 0.26 7.02 8.00 -1.26 -1.10 116.55 125.48 1qf7 n ASP 259 Ca 0.13 0.38 0.08 0.00 0.71 0.00 0.00 54.79 56.08 1qf7 n ASP 259 Cb 0.60 -0.43 0.63 0.00 -0.02 0.00 0.00 41.12 41.89 1qf7 n ASP 259 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1qf7 h ARG 260 N 0.00 0.00 0.00 -1.24 2.47 -1.88 -1.28 114.38 112.45 1qf7 h ARG 260 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1qf7 h ARG 260 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1qf7 h ARG 260 CO 0.00 0.04 0.00 0.41 0.56 0.00 0.00 179.97 180.98 1qf7 n GLY 261 N -1.41 -0.97 2.26 0.04 0.00 -0.26 -3.98 105.19 100.87 1qf7 n GLY 261 Ca -0.03 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 1qf7 n GLY 261 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1qf7 n ILE 262 N -1.47 -0.07 -1.72 -0.61 -5.35 -0.48 -1.79 119.36 107.87 1qf7 n ILE 262 Ca 0.04 -4.23 -0.39 0.00 -0.27 0.00 0.00 62.75 57.90 1qf7 n ILE 262 Cb 0.16 -1.97 0.04 0.00 -1.74 0.00 0.00 39.64 36.13 1qf7 n ILE 262 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1qf7 n PRO 263 N 1.41 1.62 -0.06 6.28 -0.05 -1.26 -0.90 135.00 142.04 1qf7 n PRO 263 Ca 0.23 0.60 -0.05 0.00 -0.05 0.00 0.00 63.50 64.23 1qf7 n PRO 263 Cb 0.50 -2.50 0.16 0.00 -0.05 0.00 0.00 33.50 31.60 1qf7 n PRO 263 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 175.50 175.36 1qf7 h ARG 264 N 1.39 0.68 -3.05 0.54 9.65 -1.42 -3.40 114.38 118.78 1qf7 h ARG 264 Ca -0.50 -0.23 -0.01 0.00 -1.10 0.00 0.00 59.98 58.13 1qf7 h ARG 264 Cb 1.31 -0.06 -0.11 0.00 -1.39 0.00 0.00 29.97 29.72 1qf7 h ARG 264 CO 0.57 0.80 0.18 0.45 2.80 0.00 0.00 179.97 184.76 1qf7 s SER 265 N -6.73 -0.50 0.54 -3.80 0.15 -1.26 -4.94 113.70 97.15 1qf7 s SER 265 Ca -0.09 -0.11 0.32 0.00 0.70 0.00 0.00 55.95 56.78 1qf7 s SER 265 Cb 0.14 0.60 1.26 0.00 -1.71 0.00 0.00 66.02 66.31 1qf7 s SER 265 CO 0.81 -1.00 1.94 1.88 1.20 0.00 0.00 173.24 178.08 1qf7 h TYR 266 N 2.04 0.00 0.00 3.44 0.05 -1.91 -1.27 116.97 119.32 1qf7 h TYR 266 Ca -0.32 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.46 1qf7 h TYR 266 Cb 1.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.04 1qf7 h TYR 266 CO 0.26 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.37 1qf7 h ARG 267 N 0.00 0.00 -1.15 4.88 3.08 -1.96 -3.34 114.38 115.89 1qf7 h ARG 267 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1qf7 h ARG 267 Cb 0.56 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.20 1qf7 h ARG 267 CO 0.00 0.00 -0.61 0.25 -1.07 0.00 0.00 179.97 178.54 1qf7 n THR 268 N -2.52 2.56 -4.09 2.04 -2.24 -0.48 -4.26 114.28 105.29 1qf7 n THR 268 Ca 0.04 -4.47 -0.11 0.00 -2.27 0.00 0.00 64.05 57.24 1qf7 n THR 268 Cb 0.42 -1.20 -0.11 0.00 -2.10 0.00 0.00 70.33 67.34 1qf7 n THR 268 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qf7 s MET 269 N -3.61 0.60 0.70 -0.78 0.23 -1.25 -1.34 119.30 113.85 1qf7 s MET 269 Ca 0.50 -0.96 -0.05 0.00 -1.03 0.00 0.00 55.69 54.15 1qf7 s MET 269 Cb 0.41 -0.16 0.08 0.00 -1.53 0.00 0.00 34.83 33.63 1qf7 s MET 269 CO -0.08 0.00 0.99 -1.21 -2.03 0.00 0.00 175.02 172.69 1qf7 s GLU 270 N -2.49 2.07 0.03 3.16 2.02 -1.26 -4.26 118.70 117.96 1qf7 s GLU 270 Ca -0.02 -0.49 0.01 0.00 0.02 0.00 0.00 54.97 54.48 1qf7 s GLU 270 Cb -0.04 -2.23 -0.02 0.00 0.10 0.00 0.00 34.13 31.95 1qf7 s GLU 270 CO -0.02 -1.26 -0.05 0.20 0.02 0.00 0.00 175.26 174.15 1qf7 s GLY 271 N -4.56 0.33 -0.04 -1.39 0.00 -1.01 -4.21 107.32 96.43 1qf7 s GLY 271 Ca 0.62 -0.62 -0.08 0.00 0.00 0.00 0.00 44.72 44.64 1qf7 s GLY 271 CO 0.44 -0.68 0.19 -1.36 0.00 0.00 0.00 173.10 171.69 1qf7 s PHE 272 N -1.33 -0.12 -0.68 1.90 0.40 -0.03 -1.17 117.98 116.95 1qf7 s PHE 272 Ca -0.13 0.28 0.26 0.00 -0.60 0.00 0.00 56.93 56.74 1qf7 s PHE 272 Cb -0.09 0.03 0.71 0.00 0.51 0.00 0.00 43.02 44.18 1qf7 s PHE 272 CO -0.00 -0.19 1.72 0.78 0.70 0.00 0.00 175.22 178.23 1qf7 h GLY 273 N 5.13 0.00 0.00 4.36 0.00 -1.65 -1.78 103.07 109.12 1qf7 h GLY 273 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1qf7 h GLY 273 CO 0.39 0.00 0.00 1.39 0.00 0.00 0.00 176.54 178.32 1qf7 n ILE 274 N -2.38 0.00 -1.54 2.60 5.41 -1.26 -4.83 119.36 117.36 1qf7 n ILE 274 Ca 0.05 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.49 1qf7 n ILE 274 Cb 0.45 0.00 0.06 0.00 -0.71 0.00 0.00 39.64 39.44 1qf7 n ILE 274 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1qf7 s HIS 275 N 0.00 2.80 -0.10 1.39 3.76 -1.26 -4.90 115.29 116.98 1qf7 s HIS 275 Ca 0.00 1.51 -0.27 0.00 -0.15 0.00 0.00 55.06 56.15 1qf7 s HIS 275 Cb 0.00 -3.01 -0.02 0.00 1.11 0.00 0.00 32.58 30.66 1qf7 s HIS 275 CO 0.00 -1.52 0.87 0.99 -0.85 0.00 0.00 174.74 174.23 1qf7 s THR 276 N -2.80 4.90 0.06 1.30 2.01 -1.26 -4.59 115.64 115.26 1qf7 s THR 276 Ca 0.61 1.77 0.00 0.00 0.31 0.00 0.00 61.69 64.39 1qf7 s THR 276 Cb -0.17 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.16 1qf7 s THR 276 CO 0.51 0.10 0.02 0.49 -0.69 0.00 0.00 174.62 175.05 1qf7 n PHE 277 N 4.56 -0.51 -4.42 4.92 3.01 0.01 -4.21 117.46 120.81 1qf7 n PHE 277 Ca 0.04 -0.29 -0.25 0.00 1.01 0.00 0.00 57.45 57.96 1qf7 n PHE 277 Cb 0.50 -0.05 -0.13 0.00 -0.01 0.00 0.00 39.48 39.79 1qf7 n PHE 277 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1qf7 s ARG 278 N -2.24 1.22 -0.11 -1.08 0.52 0.48 -1.41 118.95 116.33 1qf7 s ARG 278 Ca 0.02 -1.08 -0.05 0.00 -0.52 0.00 0.00 55.73 54.10 1qf7 s ARG 278 Cb -0.00 -1.43 -0.04 0.00 0.52 0.00 0.00 34.95 34.00 1qf7 s ARG 278 CO 0.01 0.35 0.07 -0.51 0.02 0.00 0.00 175.30 175.24 1qf7 s LEU 279 N -1.63 3.97 -0.14 2.53 1.43 0.18 -0.93 118.68 124.09 1qf7 s LEU 279 Ca 0.07 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1qf7 s LEU 279 Cb -0.10 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.20 1qf7 s LEU 279 CO 0.03 0.37 -0.16 -0.63 0.23 0.00 0.00 176.35 176.19 1qf7 s ILE 280 N -0.84 1.70 0.69 -0.59 -1.09 -0.52 -1.58 121.20 118.97 1qf7 s ILE 280 Ca 0.13 -0.73 0.04 0.00 -2.23 0.00 0.00 60.65 57.86 1qf7 s ILE 280 Cb -0.12 -1.56 0.13 0.00 -1.58 0.00 0.00 42.46 39.32 1qf7 s ILE 280 CO 0.03 0.48 0.94 0.54 -1.23 0.00 0.00 174.94 175.70 1qf7 s ASN 281 N 1.26 4.52 0.54 3.58 2.20 -0.85 -0.56 114.94 125.64 1qf7 s ASN 281 Ca 0.01 -0.65 0.32 0.00 -0.94 0.00 0.00 52.86 51.61 1qf7 s ASN 281 Cb -0.14 0.28 1.47 0.00 -2.00 0.00 0.00 41.25 40.87 1qf7 s ASN 281 CO -0.08 -1.76 2.03 0.00 -2.94 0.00 0.00 177.10 174.35 1qf7 h ALA 282 N -0.32 1.06 -0.01 3.54 0.00 -1.88 -0.15 119.26 121.51 1qf7 h ALA 282 Ca -0.32 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1qf7 h ALA 282 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1qf7 h ALA 282 CO 0.38 0.08 -0.14 0.39 0.00 0.00 0.00 179.25 179.96 1qf7 n GLU 283 N -3.25 0.82 -0.38 0.00 4.71 -1.26 -4.74 120.64 116.54 1qf7 n GLU 283 Ca -0.01 -0.37 0.00 0.00 -0.01 0.00 0.00 57.16 56.78 1qf7 n GLU 283 Cb 0.28 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 1qf7 n GLU 283 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qf7 n GLY 284 N 1.28 0.76 3.74 0.62 0.00 -0.07 -5.06 105.19 106.46 1qf7 n GLY 284 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1qf7 n GLY 284 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qf7 s LYS 285 N -0.62 4.71 -0.17 1.61 2.20 -1.26 -4.79 119.74 121.42 1qf7 s LYS 285 Ca 0.00 1.54 -0.09 0.00 -0.36 0.00 0.00 55.97 57.07 1qf7 s LYS 285 Cb 0.00 -3.32 -0.05 0.00 -1.51 0.00 0.00 37.83 32.95 1qf7 s LYS 285 CO 0.00 0.25 0.13 0.00 -0.36 0.00 0.00 175.35 175.37 1qf7 s ALA 286 N -0.38 3.74 -0.10 3.13 0.00 -1.26 -2.01 121.76 124.88 1qf7 s ALA 286 Ca 0.46 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.78 1qf7 s ALA 286 Cb -0.26 -2.09 0.01 0.00 0.00 0.00 0.00 23.12 20.78 1qf7 s ALA 286 CO 0.32 0.32 -0.20 0.99 0.00 0.00 0.00 175.76 177.19 1qf7 s THR 287 N -0.11 1.79 0.36 0.00 2.01 -0.62 -4.19 115.64 114.88 1qf7 s THR 287 Ca 0.10 -0.85 -0.27 0.00 0.31 0.00 0.00 61.69 60.98 1qf7 s THR 287 Cb -0.11 -1.57 -0.09 0.00 0.01 0.00 0.00 72.50 70.73 1qf7 s THR 287 CO 0.00 0.50 1.22 -0.36 -0.69 0.00 0.00 174.62 175.29 1qf7 s PHE 288 N 0.55 3.10 0.01 4.92 0.08 -0.18 -0.64 117.98 125.82 1qf7 s PHE 288 Ca -0.15 1.51 0.00 0.00 0.12 0.00 0.00 56.93 58.41 1qf7 s PHE 288 Cb -0.17 -3.51 -0.01 0.00 -0.57 0.00 0.00 43.02 38.76 1qf7 s PHE 288 CO 0.05 -1.49 -0.02 0.54 -0.10 0.00 0.00 175.22 174.21 1qf7 s VAL 289 N -1.26 0.06 -0.10 -0.44 0.11 -0.50 -1.52 120.40 116.75 1qf7 s VAL 289 Ca 0.52 -0.44 0.04 0.00 -2.93 0.00 0.00 61.98 59.17 1qf7 s VAL 289 Cb -0.35 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 1qf7 s VAL 289 CO 0.45 -0.24 -0.22 -0.13 -3.33 0.00 0.00 175.10 171.63 1qf7 s ARG 290 N -0.71 2.88 0.09 1.54 0.52 -0.60 -0.81 118.95 121.86 1qf7 s ARG 290 Ca -0.08 -0.82 -0.16 0.00 -0.52 0.00 0.00 55.73 54.15 1qf7 s ARG 290 Cb -0.05 -2.21 -0.07 0.00 0.52 0.00 0.00 34.95 33.15 1qf7 s ARG 290 CO -0.00 0.14 0.53 -0.06 0.02 0.00 0.00 175.30 175.92 1qf7 s PHE 291 N 0.44 3.71 0.05 -0.53 0.08 -1.26 -1.43 117.98 119.03 1qf7 s PHE 291 Ca -0.17 1.13 0.03 0.00 0.12 0.00 0.00 56.93 58.04 1qf7 s PHE 291 Cb -0.17 -2.40 -0.02 0.00 -0.57 0.00 0.00 43.02 39.85 1qf7 s PHE 291 CO 0.07 0.54 -0.10 -1.01 -0.10 0.00 0.00 175.22 174.62 1qf7 s HIS 292 N -1.25 0.87 -0.10 0.36 3.76 -0.04 -1.79 115.29 117.10 1qf7 s HIS 292 Ca 0.32 -0.46 0.03 0.00 -0.15 0.00 0.00 55.06 54.80 1qf7 s HIS 292 Cb -0.17 -0.51 0.01 0.00 1.11 0.00 0.00 32.58 33.02 1qf7 s HIS 292 CO 0.18 -0.03 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.27 1qf7 s TRP 293 N -1.24 2.20 -0.19 1.40 0.52 -0.31 -0.51 118.94 120.81 1qf7 s TRP 293 Ca -0.06 -0.96 -0.03 0.00 0.02 0.00 0.00 56.10 55.08 1qf7 s TRP 293 Cb -0.09 -1.52 -0.01 0.00 -1.15 0.00 0.00 33.47 30.69 1qf7 s TRP 293 CO 0.01 -0.43 -0.08 0.21 0.02 0.00 0.00 176.95 176.68 1qf7 s LYS 294 N 0.63 3.38 -0.13 4.98 2.20 0.45 -2.41 119.74 128.85 1qf7 s LYS 294 Ca -0.13 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 54.54 1qf7 s LYS 294 Cb -0.16 -2.87 -0.04 0.00 -1.51 0.00 0.00 37.83 33.25 1qf7 s LYS 294 CO 0.04 -0.05 1.55 -1.25 -0.36 0.00 0.00 175.35 175.28 1qf7 s PRO 295 N 1.06 4.08 0.07 4.03 0.04 -1.26 -0.72 135.00 142.30 1qf7 s PRO 295 Ca 0.00 1.91 0.22 0.00 0.04 0.00 0.00 61.00 63.17 1qf7 s PRO 295 Cb -0.15 -3.95 0.90 0.00 0.04 0.00 0.00 34.50 31.34 1qf7 s PRO 295 CO -0.01 -0.95 1.69 1.28 0.04 0.00 0.00 177.00 179.06 1qf7 n LEU 296 N 7.40 0.23 -0.37 -3.56 4.77 0.19 -1.27 117.00 124.39 1qf7 n LEU 296 Ca 0.17 0.54 0.14 0.00 -0.03 0.00 0.00 56.01 56.83 1qf7 n LEU 296 Cb 0.44 -0.49 0.62 0.00 -2.33 0.00 0.00 43.42 41.66 1qf7 n LEU 296 CO 0.62 -0.22 0.92 0.00 -1.33 0.00 0.00 177.39 177.38 1qf7 n ALA 297 N -1.59 2.60 0.00 -1.18 0.00 -1.26 -4.92 120.51 114.16 1qf7 n ALA 297 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1qf7 n ALA 297 Cb 0.27 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1qf7 n ALA 297 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qf7 n GLY 298 N 1.13 0.55 3.71 0.00 0.00 -0.39 -3.92 105.19 106.27 1qf7 n GLY 298 Ca 0.20 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.02 1qf7 n GLY 298 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qf7 s LYS 299 N -2.43 4.30 -0.21 1.61 1.02 -1.26 -4.19 119.74 118.58 1qf7 s LYS 299 Ca 0.00 0.40 -0.17 0.00 0.02 0.00 0.00 55.97 56.22 1qf7 s LYS 299 Cb 0.00 -3.47 0.06 0.00 -0.52 0.00 0.00 37.83 33.90 1qf7 s LYS 299 CO 0.00 0.09 0.55 0.00 -0.92 0.00 0.00 175.35 175.07 1qf7 s ALA 300 N 0.84 -1.38 0.20 5.17 0.00 -0.45 -4.87 121.76 121.27 1qf7 s ALA 300 Ca 0.24 1.66 0.06 0.00 0.00 0.00 0.00 51.96 53.92 1qf7 s ALA 300 Cb -0.15 -0.97 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 1qf7 s ALA 300 CO 0.10 -0.28 -0.11 -1.12 0.00 0.00 0.00 175.76 174.35 1qf7 s SER 301 N 0.61 2.30 1.04 0.00 0.01 -1.26 -1.21 113.70 115.20 1qf7 s SER 301 Ca -0.03 -1.06 -0.11 0.00 1.31 0.00 0.00 55.95 56.07 1qf7 s SER 301 Cb -0.05 -0.09 0.15 0.00 0.21 0.00 0.00 66.02 66.25 1qf7 s SER 301 CO -0.04 -0.27 0.77 0.18 0.41 0.00 0.00 173.24 174.30 1qf7 n LEU 302 N -0.35 0.00 -4.61 2.44 4.77 -0.08 -4.62 117.00 114.55 1qf7 n LEU 302 Ca -0.08 -0.84 -0.28 0.00 -0.03 0.00 0.00 56.01 54.78 1qf7 n LEU 302 Cb 0.61 -0.62 -0.09 0.00 -2.33 0.00 0.00 43.42 40.99 1qf7 n LEU 302 CO 0.35 -1.26 -0.39 0.68 -1.33 0.00 0.00 177.39 175.44 1qf7 s VAL 303 N -2.62 3.46 0.17 4.08 -7.23 -1.26 -4.93 120.40 112.07 1qf7 s VAL 303 Ca 0.45 -1.39 -0.22 0.00 -1.81 0.00 0.00 61.98 59.00 1qf7 s VAL 303 Cb -0.02 -2.68 0.06 0.00 0.56 0.00 0.00 36.38 34.31 1qf7 s VAL 303 CO 0.33 -0.01 1.60 -0.25 -0.31 0.00 0.00 175.10 176.46 1qf7 h TRP 304 N 3.17 -0.85 -0.88 2.82 2.91 -1.98 -1.33 115.95 119.82 1qf7 h TRP 304 Ca -0.48 0.06 0.12 0.00 1.13 0.00 0.00 58.89 59.71 1qf7 h TRP 304 Cb 1.19 0.43 -0.08 0.00 -0.51 0.00 0.00 29.16 30.18 1qf7 h TRP 304 CO 0.62 -0.37 0.51 0.22 -1.03 0.00 0.00 178.44 178.39 1qf7 h ASP 305 N -0.24 0.70 -0.14 2.65 3.58 -1.99 0.64 116.42 121.63 1qf7 h ASP 305 Ca 0.17 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.65 1qf7 h ASP 305 Cb 0.53 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 1qf7 h ASP 305 CO -0.53 0.37 -0.05 -0.08 -2.88 0.00 0.00 179.24 176.07 1qf7 h GLU 306 N 0.80 0.28 -0.01 0.28 4.81 -1.87 -1.34 114.58 117.52 1qf7 h GLU 306 Ca 0.44 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.58 1qf7 h GLU 306 Cb 0.48 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1qf7 h GLU 306 CO -0.28 0.59 -0.14 0.00 -0.73 0.00 0.00 179.01 178.44 1qf7 h ALA 307 N 0.68 -0.16 -0.19 2.92 0.00 -0.67 0.67 119.26 122.51 1qf7 h ALA 307 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1qf7 h ALA 307 Cb 0.49 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1qf7 h ALA 307 CO 0.02 -0.63 0.06 0.37 0.00 0.00 0.00 179.25 179.06 1qf7 h GLN 308 N -0.24 0.29 -0.72 0.00 4.15 -0.88 -2.25 115.11 115.47 1qf7 h GLN 308 Ca 0.05 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1qf7 h GLN 308 Cb 0.30 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 1qf7 h GLN 308 CO -0.15 0.39 0.42 0.87 -1.93 0.00 0.00 178.83 178.44 1qf7 h LYS 309 N 0.13 0.98 -0.03 1.69 1.57 -1.11 -2.47 116.57 117.34 1qf7 h LYS 309 Ca 0.06 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1qf7 h LYS 309 Cb 0.22 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1qf7 h LYS 309 CO -0.00 0.69 -0.16 1.25 -0.57 0.00 0.00 179.45 180.66 1qf7 h LEU 310 N 0.99 0.04 -1.79 2.94 5.85 -0.47 -0.27 115.31 122.60 1qf7 h LEU 310 Ca 0.26 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1qf7 h LEU 310 Cb -0.02 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1qf7 h LEU 310 CO -0.05 0.21 -0.15 0.71 -0.34 0.00 0.00 178.44 178.82 1qf7 h THR 311 N 0.04 0.93 0.12 1.05 1.35 -0.92 0.28 112.91 115.76 1qf7 h THR 311 Ca 0.01 -0.54 -0.33 0.00 -0.55 0.00 0.00 66.41 65.00 1qf7 h THR 311 Cb 0.31 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 1qf7 h THR 311 CO 0.02 0.14 -1.73 1.23 -0.25 0.00 0.00 175.52 174.94 1qf7 h GLY 312 N 0.56 0.30 1.14 5.82 0.00 -1.35 -3.21 103.07 106.32 1qf7 h GLY 312 Ca -0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 47.33 46.39 1qf7 h GLY 312 CO 0.02 0.66 -0.54 3.21 0.00 0.00 0.00 176.54 179.90 1qf7 h ARG 313 N -0.13 0.87 -1.81 4.80 2.47 -0.72 -3.41 114.38 116.46 1qf7 h ARG 313 Ca -0.37 -0.55 -0.32 0.00 -1.26 0.00 0.00 59.98 57.47 1qf7 h ARG 313 Cb 1.90 0.07 -0.29 0.00 -1.65 0.00 0.00 29.97 30.00 1qf7 h ARG 313 CO 0.07 1.19 -0.65 0.34 0.56 0.00 0.00 179.97 181.47 1qf7 s ASP 314 N -6.93 0.75 0.32 7.04 2.15 0.95 -5.00 116.67 115.95 1qf7 s ASP 314 Ca -0.11 -1.49 0.25 0.00 0.43 0.00 0.00 52.55 51.63 1qf7 s ASP 314 Cb 0.10 0.77 1.10 0.00 -0.30 0.00 0.00 42.92 44.59 1qf7 s ASP 314 CO 0.89 -0.24 1.75 1.55 -0.17 0.00 0.00 175.17 178.95 1qf7 h PRO 315 N 7.02 0.00 -0.53 4.34 0.13 -1.61 -2.44 132.00 138.90 1qf7 h PRO 315 Ca 0.05 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.11 1qf7 h PRO 315 Cb 1.07 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 1qf7 h PRO 315 CO 0.18 0.00 0.08 -0.25 -0.23 0.00 0.00 178.00 177.78 1qf7 n ASP 316 N -2.37 4.84 -0.32 1.44 8.00 -1.26 -0.58 116.55 126.30 1qf7 n ASP 316 Ca 0.01 -3.09 0.01 0.00 0.71 0.00 0.00 54.79 52.43 1qf7 n ASP 316 Cb 0.20 -0.67 0.15 0.00 -0.02 0.00 0.00 41.12 40.78 1qf7 n ASP 316 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1qf7 h PHE 317 N 2.88 1.02 0.03 1.24 3.57 -1.79 0.57 116.94 124.47 1qf7 h PHE 317 Ca 0.09 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.37 1qf7 h PHE 317 Cb 1.94 -0.33 0.01 0.00 2.79 0.00 0.00 35.95 40.36 1qf7 h PHE 317 CO 1.00 0.52 -1.04 0.45 -2.23 0.00 0.00 178.31 177.01 1qf7 h HIS 318 N 1.01 0.70 -0.39 0.41 3.86 -1.87 -1.15 115.15 117.70 1qf7 h HIS 318 Ca 0.39 -0.40 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 1qf7 h HIS 318 Cb 0.18 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1qf7 h HIS 318 CO -0.03 1.24 0.08 -0.09 0.86 0.00 0.00 177.93 179.99 1qf7 h ARG 319 N 0.23 0.64 0.09 2.45 2.43 -1.82 -1.21 114.38 117.19 1qf7 h ARG 319 Ca -0.11 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1qf7 h ARG 319 Cb 1.69 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.15 1qf7 h ARG 319 CO 0.18 0.68 -0.09 -0.09 -1.51 0.00 0.00 179.97 179.15 1qf7 h ARG 320 N 0.50 -0.19 -0.75 0.20 2.43 -0.86 -2.37 114.38 113.34 1qf7 h ARG 320 Ca 0.12 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1qf7 h ARG 320 Cb 0.34 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 1qf7 h ARG 320 CO 0.01 -0.13 0.43 1.49 -1.51 0.00 0.00 179.97 180.26 1qf7 h GLU 321 N -0.20 1.03 -0.18 0.20 4.22 -1.15 -0.21 114.58 118.30 1qf7 h GLU 321 Ca 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 59.36 59.32 1qf7 h GLU 321 Cb 0.19 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1qf7 h GLU 321 CO -0.02 0.75 0.06 1.25 -2.18 0.00 0.00 179.01 178.87 1qf7 h LEU 322 N 1.03 0.26 -0.88 1.64 5.85 -1.19 -1.55 115.31 120.46 1qf7 h LEU 322 Ca 0.26 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1qf7 h LEU 322 Cb 0.00 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1qf7 h LEU 322 CO -0.05 0.38 0.55 -0.25 -0.34 0.00 0.00 178.44 178.74 1qf7 h TRP 323 N 0.12 1.14 -0.01 1.25 2.91 -1.00 -2.49 115.95 117.87 1qf7 h TRP 323 Ca 0.06 0.01 -0.15 0.00 1.13 0.00 0.00 58.89 59.93 1qf7 h TRP 323 Cb 0.21 -0.38 -0.02 0.00 -0.51 0.00 0.00 29.16 28.46 1qf7 h TRP 323 CO -0.00 0.74 -0.71 0.93 -1.03 0.00 0.00 178.44 178.37 1qf7 h GLU 324 N 1.20 0.08 -0.15 2.65 5.08 -1.04 -1.48 114.58 120.92 1qf7 h GLU 324 Ca 0.32 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1qf7 h GLU 324 Cb -0.08 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1qf7 h GLU 324 CO -0.06 0.75 0.05 0.00 -1.00 0.00 0.00 179.01 178.75 1qf7 h ALA 325 N 1.23 0.20 -0.81 3.43 0.00 -0.96 -0.01 119.26 122.33 1qf7 h ALA 325 Ca -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1qf7 h ALA 325 Cb 1.25 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1qf7 h ALA 325 CO 0.10 -0.20 0.35 0.82 0.00 0.00 0.00 179.25 180.32 1qf7 h ILE 326 N 0.07 1.26 0.00 0.00 2.04 -1.39 0.81 117.51 120.30 1qf7 h ILE 326 Ca 0.05 -0.78 -0.07 0.00 1.00 0.00 0.00 64.86 65.06 1qf7 h ILE 326 Cb 0.20 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1qf7 h ILE 326 CO -0.00 0.33 -0.35 -0.33 0.00 0.00 0.00 178.15 177.80 1qf7 h GLU 327 N 1.17 0.00 0.00 2.37 5.08 -1.05 -2.48 114.58 119.67 1qf7 h GLU 327 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1qf7 h GLU 327 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1qf7 h GLU 327 CO -0.03 0.35 -0.28 0.00 -1.00 0.00 0.00 179.01 178.05 1qf7 n ALA 328 N -2.35 2.79 -0.30 3.43 0.00 -0.04 -2.53 120.51 121.51 1qf7 n ALA 328 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1qf7 n ALA 328 Cb 0.44 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1qf7 n ALA 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qf7 n GLY 329 N 1.43 0.74 2.42 0.00 0.00 -0.54 -4.64 105.19 104.60 1qf7 n GLY 329 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1qf7 n GLY 329 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qf7 n ASP 330 N 0.00 6.32 -4.64 1.61 8.00 0.17 -4.98 116.55 123.04 1qf7 n ASP 330 Ca 0.00 -3.12 -0.55 0.00 0.71 0.00 0.00 54.79 51.83 1qf7 n ASP 330 Cb 0.00 -1.25 -0.07 0.00 -0.02 0.00 0.00 41.12 39.78 1qf7 n ASP 330 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1qf7 n PHE 331 N 1.05 1.69 -1.73 1.24 3.72 -1.26 -4.40 117.46 117.78 1qf7 n PHE 331 Ca 0.48 0.63 -0.42 0.00 -0.05 0.00 0.00 57.45 58.09 1qf7 n PHE 331 Cb 0.60 -2.37 -0.03 0.00 -0.94 0.00 0.00 39.48 36.74 1qf7 n PHE 331 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1qf7 s PRO 332 N 1.75 4.14 -0.01 -1.08 0.02 -1.23 -4.77 135.00 133.81 1qf7 s PRO 332 Ca 0.91 2.59 0.06 0.00 0.02 0.00 0.00 61.00 64.57 1qf7 s PRO 332 Cb -1.03 -3.45 -0.01 0.00 0.02 0.00 0.00 34.50 30.02 1qf7 s PRO 332 CO 0.56 -0.81 -0.18 -1.21 -0.33 0.00 0.00 177.00 175.03 1qf7 s GLU 333 N 2.31 1.42 -0.04 5.54 2.02 -1.26 -0.90 118.70 127.79 1qf7 s GLU 333 Ca 0.79 -0.66 -0.03 0.00 0.02 0.00 0.00 54.97 55.09 1qf7 s GLU 333 Cb -0.47 -1.38 0.02 0.00 0.10 0.00 0.00 34.13 32.39 1qf7 s GLU 333 CO 0.35 0.38 0.10 0.71 0.02 0.00 0.00 175.26 176.82 1qf7 s TYR 334 N -0.46 -0.11 -0.25 1.61 1.51 -0.70 -0.64 117.35 118.32 1qf7 s TYR 334 Ca 0.07 0.29 -0.10 0.00 -1.01 0.00 0.00 57.07 56.32 1qf7 s TYR 334 Cb -0.07 0.00 -0.05 0.00 -0.11 0.00 0.00 41.96 41.73 1qf7 s TYR 334 CO -0.00 -0.07 0.16 -2.00 -1.11 0.00 0.00 175.55 172.52 1qf7 s GLU 335 N 0.29 4.01 0.21 -0.62 2.12 0.10 -0.52 118.70 124.29 1qf7 s GLU 335 Ca -0.02 -0.30 -0.30 0.00 0.36 0.00 0.00 54.97 54.71 1qf7 s GLU 335 Cb -0.03 -3.55 -0.08 0.00 0.26 0.00 0.00 34.13 30.73 1qf7 s GLU 335 CO -0.01 -0.01 1.12 -1.17 -0.54 0.00 0.00 175.26 174.65 1qf7 s LEU 336 N 1.26 4.50 -0.00 2.70 2.96 0.32 -0.41 118.68 130.00 1qf7 s LEU 336 Ca 0.07 2.17 -0.03 0.00 -0.22 0.00 0.00 54.13 56.12 1qf7 s LEU 336 Cb -0.14 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.93 1qf7 s LEU 336 CO 0.06 -0.23 0.06 -0.83 -1.32 0.00 0.00 176.35 174.09 1qf7 s GLY 337 N -0.27 0.06 -0.08 7.98 0.00 0.33 0.04 107.32 115.38 1qf7 s GLY 337 Ca 0.49 -0.13 0.04 0.00 0.00 0.00 0.00 44.72 45.12 1qf7 s GLY 337 CO 0.37 -0.21 -0.22 -1.36 0.00 0.00 0.00 173.10 171.68 1qf7 s PHE 338 N -0.83 2.56 -0.33 1.90 0.08 -0.39 -0.86 117.98 120.11 1qf7 s PHE 338 Ca -0.09 -0.76 -0.15 0.00 0.12 0.00 0.00 56.93 56.04 1qf7 s PHE 338 Cb -0.05 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.70 1qf7 s PHE 338 CO 0.00 -0.24 0.38 -0.65 -0.10 0.00 0.00 175.22 174.61 1qf7 s GLN 339 N 0.02 3.67 -0.19 0.44 -0.21 -0.51 -0.41 119.66 122.47 1qf7 s GLN 339 Ca -0.08 -0.29 -0.05 0.00 0.02 0.00 0.00 55.36 54.96 1qf7 s GLN 339 Cb -0.15 -3.77 -0.03 0.00 1.00 0.00 0.00 33.01 30.06 1qf7 s GLN 339 CO 0.05 -0.48 -0.01 -0.51 -2.12 0.00 0.00 175.29 172.22 1qf7 s LEU 340 N 2.07 3.28 -0.10 2.90 1.43 -1.26 -1.56 118.68 125.44 1qf7 s LEU 340 Ca 0.13 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1qf7 s LEU 340 Cb -0.16 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.26 1qf7 s LEU 340 CO 0.12 0.10 -0.12 -0.63 0.23 0.00 0.00 176.35 176.05 1qf7 s ILE 341 N 0.77 1.24 0.63 -0.59 1.09 -0.57 -4.99 121.20 118.78 1qf7 s ILE 341 Ca -0.00 -0.48 -0.18 0.00 -1.10 0.00 0.00 60.65 58.89 1qf7 s ILE 341 Cb -0.14 -1.16 -0.02 0.00 -1.06 0.00 0.00 42.46 40.08 1qf7 s ILE 341 CO 0.02 0.39 1.22 -2.84 -0.10 0.00 0.00 174.94 173.63 1qf7 s PRO 342 N 1.09 2.72 0.33 2.79 0.02 -1.26 -1.01 135.00 139.68 1qf7 s PRO 342 Ca -0.06 1.86 0.07 0.00 0.02 0.00 0.00 61.00 62.89 1qf7 s PRO 342 Cb -0.14 -1.89 0.75 0.00 0.02 0.00 0.00 34.50 33.24 1qf7 s PRO 342 CO -0.02 -1.41 1.84 1.49 -0.33 0.00 0.00 177.00 178.58 1qf7 h GLU 343 N 0.57 0.74 0.00 5.54 4.81 -1.95 -0.08 114.58 124.21 1qf7 h GLU 343 Ca -0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1qf7 h GLU 343 Cb 1.30 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1qf7 h GLU 343 CO 0.54 0.49 0.00 -0.85 -0.73 0.00 0.00 179.01 178.46 1qf7 n GLU 344 N -4.60 0.09 -0.35 1.92 0.00 -1.26 -2.17 120.64 114.26 1qf7 n GLU 344 Ca 0.19 0.16 0.11 0.00 0.00 0.00 0.00 57.16 57.61 1qf7 n GLU 344 Cb 0.47 -1.50 0.31 0.00 0.00 0.00 0.00 31.44 30.72 1qf7 n GLU 344 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1qf7 n ASP 345 N -1.43 3.72 -0.28 -1.84 8.00 -0.04 -4.64 116.55 120.04 1qf7 n ASP 345 Ca 0.06 -2.00 0.10 0.00 0.71 0.00 0.00 54.79 53.66 1qf7 n ASP 345 Cb 0.20 -0.47 0.24 0.00 -0.02 0.00 0.00 41.12 41.07 1qf7 n ASP 345 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1qf7 h GLU 346 N 4.06 0.18 -0.65 -1.24 4.81 -1.53 -1.20 114.58 119.01 1qf7 h GLU 346 Ca 0.00 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1qf7 h GLU 346 Cb 0.93 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.19 1qf7 h GLU 346 CO 0.00 0.12 0.16 1.19 -0.73 0.00 0.00 179.01 179.75 1qf7 n PHE 347 N -5.25 2.24 1.16 0.92 3.72 -1.26 -4.53 117.46 114.46 1qf7 n PHE 347 Ca 0.18 -1.03 0.12 0.00 -0.05 0.00 0.00 57.45 56.68 1qf7 n PHE 347 Cb 0.60 -0.61 0.30 0.00 -0.94 0.00 0.00 39.48 38.83 1qf7 n PHE 347 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1qf7 n LYS 348 N 0.08 0.63 -2.88 -1.08 4.01 -0.45 -4.94 118.16 113.53 1qf7 n LYS 348 Ca 0.35 -0.39 -0.21 0.00 -0.51 0.00 0.00 58.31 57.55 1qf7 n LYS 348 Cb 1.30 -1.49 0.02 0.00 -0.51 0.00 0.00 35.03 34.35 1qf7 n LYS 348 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1qf7 s PHE 349 N -2.64 2.99 -1.59 2.13 0.40 -1.26 -4.99 117.98 113.02 1qf7 s PHE 349 Ca 0.20 -0.01 0.26 0.00 -0.60 0.00 0.00 56.93 56.78 1qf7 s PHE 349 Cb 0.19 -2.49 1.39 0.00 0.51 0.00 0.00 43.02 42.61 1qf7 s PHE 349 CO 0.58 -0.56 1.89 -0.25 0.70 0.00 0.00 175.22 177.58 1qf7 n ASP 350 N -2.12 0.00 -4.27 1.36 8.00 -1.26 -4.81 116.55 113.45 1qf7 n ASP 350 Ca 0.05 -0.30 -0.15 0.00 0.71 0.00 0.00 54.79 55.10 1qf7 n ASP 350 Cb 0.59 -0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 41.38 1qf7 n ASP 350 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1qf7 s PHE 351 N -2.41 1.33 0.09 1.24 -0.71 -1.26 -5.03 117.98 111.23 1qf7 s PHE 351 Ca 0.29 -0.80 -0.30 0.00 -1.04 0.00 0.00 56.93 55.08 1qf7 s PHE 351 Cb 0.18 -0.70 -0.05 0.00 -1.21 0.00 0.00 43.02 41.23 1qf7 s PHE 351 CO 0.37 0.05 1.02 0.34 -1.34 0.00 0.00 175.22 175.65 1qf7 s ASP 352 N -3.20 7.38 0.49 1.98 -1.08 -1.26 -4.94 116.67 116.04 1qf7 s ASP 352 Ca 0.20 1.84 0.24 0.00 -0.52 0.00 0.00 52.55 54.31 1qf7 s ASP 352 Cb 0.03 -2.59 1.26 0.00 -1.46 0.00 0.00 42.92 40.17 1qf7 s ASP 352 CO 0.02 -0.19 2.00 -0.07 0.52 0.00 0.00 175.17 177.46 1qf7 h LEU 353 N 5.93 0.00 -0.72 -1.34 3.38 -1.97 -2.48 115.31 118.11 1qf7 h LEU 353 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1qf7 h LEU 353 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1qf7 h LEU 353 CO 0.74 0.17 0.00 0.18 0.09 0.00 0.00 178.44 179.62 1qf7 n LEU 354 N -3.69 1.10 -4.55 1.67 4.77 -1.26 -4.42 117.00 110.62 1qf7 n LEU 354 Ca -0.02 -0.43 -0.42 0.00 -0.03 0.00 0.00 56.01 55.11 1qf7 n LEU 354 Cb 0.29 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.25 1qf7 n LEU 354 CO 0.32 0.22 0.32 -0.62 -1.33 0.00 0.00 177.39 176.30 1qf7 s ASP 355 N -1.69 6.35 0.00 -1.43 2.15 -0.93 -4.34 116.67 116.77 1qf7 s ASP 355 Ca 0.34 -0.10 0.26 0.00 0.43 0.00 0.00 52.55 53.48 1qf7 s ASP 355 Cb 0.17 -2.30 1.46 0.00 -0.30 0.00 0.00 42.92 41.95 1qf7 s ASP 355 CO 0.27 -0.61 1.88 -0.81 -0.17 0.00 0.00 175.17 175.73 1qf7 n PRO 356 N 6.00 0.66 -0.19 4.34 -0.04 -1.26 -1.95 135.00 142.56 1qf7 n PRO 356 Ca -0.03 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.54 1qf7 n PRO 356 Cb 0.48 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.71 1qf7 n PRO 356 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1qf7 n THR 357 N -1.09 0.50 -5.11 0.52 -2.24 -1.26 -0.91 114.28 104.69 1qf7 n THR 357 Ca 0.17 -0.59 -0.32 0.00 -2.27 0.00 0.00 64.05 61.04 1qf7 n THR 357 Cb 0.13 0.48 -0.16 0.00 -2.10 0.00 0.00 70.33 68.67 1qf7 n THR 357 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qf7 s LYS 358 N -1.50 2.87 0.37 -0.78 -0.14 -0.82 -4.84 119.74 114.89 1qf7 s LYS 358 Ca 0.34 -0.83 0.05 0.00 -1.36 0.00 0.00 55.97 54.17 1qf7 s LYS 358 Cb 0.18 -2.32 -0.00 0.00 -1.68 0.00 0.00 37.83 34.01 1qf7 s LYS 358 CO 0.26 0.31 0.52 -0.48 -0.76 0.00 0.00 175.35 175.20 1qf7 s LEU 359 N 0.03 3.87 -0.40 3.17 0.05 -1.26 -4.81 118.68 119.32 1qf7 s LEU 359 Ca -0.08 -0.11 -0.08 0.00 0.05 0.00 0.00 54.13 53.91 1qf7 s LEU 359 Cb -0.15 -2.82 0.08 0.00 -2.05 0.00 0.00 46.19 41.24 1qf7 s LEU 359 CO 0.05 -0.53 0.23 -0.63 -0.55 0.00 0.00 176.35 174.92 1qf7 s ILE 360 N -2.28 4.03 0.20 1.48 1.01 -1.26 -5.06 121.20 119.33 1qf7 s ILE 360 Ca 0.47 -1.44 -0.32 0.00 0.00 0.00 0.00 60.65 59.36 1qf7 s ILE 360 Cb -0.10 -3.47 -0.15 0.00 0.01 0.00 0.00 42.46 38.75 1qf7 s ILE 360 CO 0.33 -0.48 1.26 -2.65 0.00 0.00 0.00 174.94 173.40 1qf7 n PRO 361 N 4.86 1.53 0.27 2.79 -0.02 -1.26 -4.85 135.00 138.31 1qf7 n PRO 361 Ca -0.10 0.54 0.14 0.00 -2.02 0.00 0.00 63.50 62.06 1qf7 n PRO 361 Cb 0.43 -2.10 0.75 0.00 -0.02 0.00 0.00 33.50 32.56 1qf7 n PRO 361 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1qf7 h GLU 362 N 3.66 0.00 0.00 -0.52 5.08 -1.98 -1.16 114.58 119.67 1qf7 h GLU 362 Ca -0.44 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.84 1qf7 h GLU 362 Cb 1.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1qf7 h GLU 362 CO 0.72 0.10 -0.37 0.93 -1.00 0.00 0.00 179.01 179.39 1qf7 h GLU 363 N 0.00 0.00 0.10 2.33 4.39 -1.96 -2.89 114.58 116.54 1qf7 h GLU 363 Ca -0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 1qf7 h GLU 363 Cb 0.33 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1qf7 h GLU 363 CO 0.01 0.37 -1.93 1.28 -1.16 0.00 0.00 179.01 177.59 1qf7 n LEU 364 N -3.91 2.22 -3.55 1.33 4.77 -0.51 -4.82 117.00 112.53 1qf7 n LEU 364 Ca -0.01 0.26 -0.29 0.00 -0.03 0.00 0.00 56.01 55.94 1qf7 n LEU 364 Cb 0.43 -0.81 -0.15 0.00 -2.33 0.00 0.00 43.42 40.56 1qf7 n LEU 364 CO 0.38 0.74 -0.33 -0.69 -1.33 0.00 0.00 177.39 176.16 1qf7 s VAL 365 N -2.57 0.09 0.72 4.08 1.01 -0.79 -5.06 120.40 117.89 1qf7 s VAL 365 Ca -0.18 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 60.65 1qf7 s VAL 365 Cb 0.07 -1.09 0.04 0.00 0.00 0.00 0.00 36.38 35.39 1qf7 s VAL 365 CO 0.78 -0.77 1.19 -2.16 0.00 0.00 0.00 175.10 174.15 1qf7 s PRO 366 N 1.86 2.21 -0.16 2.72 0.05 -1.10 -4.15 135.00 136.43 1qf7 s PRO 366 Ca 0.11 1.70 -0.26 0.00 0.05 0.00 0.00 61.00 62.60 1qf7 s PRO 366 Cb -0.17 -1.85 -0.02 0.00 0.05 0.00 0.00 34.50 32.51 1qf7 s PRO 366 CO -0.29 -1.77 0.84 0.08 0.05 0.00 0.00 177.00 175.91 1qf7 s VAL 367 N -2.05 4.88 -0.23 -0.36 1.01 -1.26 -4.38 120.40 118.00 1qf7 s VAL 367 Ca 0.73 1.66 -0.10 0.00 0.00 0.00 0.00 61.98 64.27 1qf7 s VAL 367 Cb -0.28 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1qf7 s VAL 367 CO 0.45 0.04 0.15 -1.58 0.00 0.00 0.00 175.10 174.15 1qf7 s GLN 368 N 2.06 4.05 0.32 2.72 0.74 0.45 -4.85 119.66 125.15 1qf7 s GLN 368 Ca 0.39 -0.28 -0.29 0.00 0.05 0.00 0.00 55.36 55.23 1qf7 s GLN 368 Cb -0.17 -3.50 -0.11 0.00 1.10 0.00 0.00 33.01 30.34 1qf7 s GLN 368 CO 0.13 0.07 1.43 -0.98 -0.55 0.00 0.00 175.29 175.39 1qf7 s ARG 369 N 1.01 4.23 0.00 1.67 1.70 -1.26 -1.26 118.95 125.03 1qf7 s ARG 369 Ca 0.07 2.39 0.00 0.00 -0.47 0.00 0.00 55.73 57.72 1qf7 s ARG 369 Cb -0.13 -3.04 0.00 0.00 -0.57 0.00 0.00 34.95 31.21 1qf7 s ARG 369 CO 0.04 -0.41 0.00 0.28 -1.08 0.00 0.00 175.30 174.13 1qf7 n VAL 370 N 1.20 0.00 -0.54 4.99 0.31 0.11 -4.89 118.33 119.51 1qf7 n VAL 370 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1qf7 n VAL 370 Cb 0.40 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 1qf7 n VAL 370 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qf7 n GLY 371 N 3.25 -1.29 3.23 2.92 0.00 -1.16 -1.09 105.19 111.05 1qf7 n GLY 371 Ca 0.00 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 1qf7 n GLY 371 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qf7 s LYS 372 N -1.69 1.69 -0.06 1.61 2.20 -0.41 -0.52 119.74 122.56 1qf7 s LYS 372 Ca 0.00 -0.77 0.06 0.00 -0.36 0.00 0.00 55.97 54.90 1qf7 s LYS 372 Cb 0.00 -1.65 -0.01 0.00 -1.51 0.00 0.00 37.83 34.66 1qf7 s LYS 372 CO 0.00 0.45 -0.24 1.41 -0.36 0.00 0.00 175.35 176.61 1qf7 s MET 373 N -0.54 2.52 -0.08 4.03 -2.45 0.33 -1.75 119.30 121.36 1qf7 s MET 373 Ca 0.08 -0.86 0.02 0.00 -1.25 0.00 0.00 55.69 53.69 1qf7 s MET 373 Cb -0.08 -2.09 0.01 0.00 1.25 0.00 0.00 34.83 33.92 1qf7 s MET 373 CO -0.01 0.33 -0.14 0.08 1.05 0.00 0.00 175.02 176.34 1qf7 s VAL 374 N -0.05 1.26 -0.37 10.11 1.01 0.50 -1.73 120.40 131.14 1qf7 s VAL 374 Ca -0.06 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1qf7 s VAL 374 Cb -0.14 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.10 1qf7 s VAL 374 CO 0.04 0.39 0.22 -0.76 0.00 0.00 0.00 175.10 174.99 1qf7 s LEU 375 N 0.71 4.67 -0.01 3.92 1.02 -0.08 -1.16 118.68 127.75 1qf7 s LEU 375 Ca -0.13 -0.80 0.02 0.00 0.02 0.00 0.00 54.13 53.23 1qf7 s LEU 375 Cb -0.16 -2.07 0.03 0.00 0.02 0.00 0.00 46.19 44.01 1qf7 s LEU 375 CO 0.03 -0.34 0.83 -0.46 0.02 0.00 0.00 176.35 176.43 1qf7 n ASN 376 N 5.05 1.18 -3.71 2.29 6.94 -0.60 -3.58 115.26 122.81 1qf7 n ASN 376 Ca -0.12 -1.74 -0.11 0.00 -0.02 0.00 0.00 54.58 52.58 1qf7 n ASN 376 Cb 0.47 -0.05 -0.12 0.00 -2.36 0.00 0.00 39.78 37.72 1qf7 n ASN 376 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1qf7 s ARG 377 N -0.74 0.32 0.61 -3.83 3.52 -1.02 -5.00 118.95 112.81 1qf7 s ARG 377 Ca 0.03 0.65 -0.12 0.00 -0.13 0.00 0.00 55.73 56.16 1qf7 s ARG 377 Cb 0.03 -0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.33 1qf7 s ARG 377 CO 0.00 -0.15 1.03 -0.80 -0.81 0.00 0.00 175.30 174.57 1qf7 s ASN 378 N 1.22 6.15 1.21 -2.12 0.01 -1.26 -0.67 114.94 119.48 1qf7 s ASN 378 Ca -0.08 1.50 -0.18 0.00 -0.71 0.00 0.00 52.86 53.39 1qf7 s ASN 378 Cb -0.09 -2.48 0.29 0.00 0.41 0.00 0.00 41.25 39.38 1qf7 s ASN 378 CO -0.10 -0.92 1.05 -2.16 -1.51 0.00 0.00 177.10 173.47 1qf7 s PRO 379 N -4.89 -1.30 -0.16 -0.60 0.04 -1.26 -3.53 135.00 123.30 1qf7 s PRO 379 Ca 0.57 0.20 -0.11 0.00 0.04 0.00 0.00 61.00 61.70 1qf7 s PRO 379 Cb -0.11 -1.56 -0.23 0.00 0.04 0.00 0.00 34.50 32.63 1qf7 s PRO 379 CO 0.49 -3.82 0.27 -0.25 0.04 0.00 0.00 177.00 173.73 1qf7 n ASP 380 N -4.89 2.03 -3.79 6.66 8.00 -1.26 -1.69 116.55 121.62 1qf7 n ASP 380 Ca 0.10 0.27 -0.25 0.00 0.71 0.00 0.00 54.79 55.62 1qf7 n ASP 380 Cb 0.58 -0.88 -0.17 0.00 -0.02 0.00 0.00 41.12 40.63 1qf7 n ASP 380 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1qf7 s ASN 381 N -6.98 2.13 0.17 -2.24 3.84 -1.26 -4.66 114.94 105.93 1qf7 s ASN 381 Ca -0.25 -0.36 -0.17 0.00 0.21 0.00 0.00 52.86 52.29 1qf7 s ASN 381 Cb 0.07 -0.58 0.10 0.00 -0.55 0.00 0.00 41.25 40.29 1qf7 s ASN 381 CO 0.70 -0.21 1.68 0.15 -2.79 0.00 0.00 177.10 176.63 1qf7 h PHE 382 N 8.27 -0.13 -0.06 0.43 3.04 -1.98 -2.41 116.94 124.09 1qf7 h PHE 382 Ca -0.21 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.77 1qf7 h PHE 382 Cb 1.12 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.75 1qf7 h PHE 382 CO 0.42 -0.13 0.01 0.35 -2.02 0.00 0.00 178.31 176.94 1qf7 h PHE 383 N 0.04 0.11 -0.81 0.41 3.04 -1.96 0.17 116.94 117.94 1qf7 h PHE 383 Ca 0.19 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.10 1qf7 h PHE 383 Cb 0.29 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.73 1qf7 h PHE 383 CO -0.32 0.31 0.38 0.00 -2.02 0.00 0.00 178.31 176.66 1qf7 h ALA 384 N 0.79 1.14 0.02 2.41 0.00 -1.93 -2.06 119.26 119.63 1qf7 h ALA 384 Ca 0.02 -0.16 -0.39 0.00 0.00 0.00 0.00 54.91 54.37 1qf7 h ALA 384 Cb 0.26 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 1qf7 h ALA 384 CO 0.00 0.65 -2.31 0.39 0.00 0.00 0.00 179.25 177.98 1qf7 n GLU 385 N -4.30 0.64 -0.04 0.00 1.02 -0.93 -4.30 120.64 112.73 1qf7 n GLU 385 Ca 0.08 0.24 -0.01 0.00 -0.02 0.00 0.00 57.16 57.44 1qf7 n GLU 385 Cb 0.15 -1.56 -0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1qf7 n GLU 385 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1qf7 h ASN 386 N -0.35 0.00 -0.65 1.62 -0.00 -0.85 -3.18 115.58 112.17 1qf7 h ASN 386 Ca -0.57 0.00 0.10 0.00 -0.00 0.00 0.00 56.30 55.84 1qf7 h ASN 386 Cb 1.79 0.00 -0.08 0.00 -0.00 0.00 0.00 38.32 40.03 1qf7 h ASN 386 CO -0.16 0.39 0.25 -0.08 -0.00 0.00 0.00 177.43 177.82 1qf7 h GLU 387 N -0.63 0.41 0.00 6.67 4.57 -1.08 -1.23 114.58 123.30 1qf7 h GLU 387 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1qf7 h GLU 387 Cb 0.14 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1qf7 h GLU 387 CO 0.00 0.27 0.00 1.04 -1.18 0.00 0.00 179.01 179.14 1qf7 n GLN 388 N -4.99 0.02 -1.78 1.92 6.02 -0.79 -4.89 117.38 112.88 1qf7 n GLN 388 Ca 0.10 0.14 -0.41 0.00 -0.01 0.00 0.00 57.00 56.82 1qf7 n GLN 388 Cb 0.30 -1.53 -0.00 0.00 1.02 0.00 0.00 30.24 30.03 1qf7 n GLN 388 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qf7 s ALA 389 N -3.02 3.62 -0.19 -1.58 0.00 -0.47 -4.88 121.76 115.24 1qf7 s ALA 389 Ca 0.10 1.59 -0.00 0.00 0.00 0.00 0.00 51.96 53.65 1qf7 s ALA 389 Cb 0.14 -3.62 0.05 0.00 0.00 0.00 0.00 23.12 19.68 1qf7 s ALA 389 CO 0.41 -1.06 -0.05 0.00 0.00 0.00 0.00 175.76 175.05 1qf7 s ALA 390 N -0.87 1.60 -0.00 0.00 0.00 -1.26 -5.05 121.76 116.18 1qf7 s ALA 390 Ca 0.55 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.56 1qf7 s ALA 390 Cb -0.47 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 1qf7 s ALA 390 CO 0.60 -0.91 -0.01 -0.06 0.00 0.00 0.00 175.76 175.38 1qf7 s PHE 391 N 1.58 3.04 -0.07 0.00 0.40 -1.26 -5.00 117.98 116.66 1qf7 s PHE 391 Ca -0.01 0.06 -0.03 0.00 -0.60 0.00 0.00 56.93 56.34 1qf7 s PHE 391 Cb -0.16 -1.66 0.04 0.00 0.51 0.00 0.00 43.02 41.75 1qf7 s PHE 391 CO -0.07 0.44 0.16 -0.65 0.70 0.00 0.00 175.22 175.80 1qf7 s GLN 392 N -1.50 0.12 0.60 0.44 -0.21 -1.26 -4.95 119.66 112.89 1qf7 s GLN 392 Ca 0.19 0.39 0.38 0.00 0.02 0.00 0.00 55.36 56.34 1qf7 s GLN 392 Cb -0.11 -0.16 1.82 0.00 1.00 0.00 0.00 33.01 35.56 1qf7 s GLN 392 CO 0.09 -0.16 2.15 -1.00 -2.12 0.00 0.00 175.29 174.26 1qf7 h PRO 393 N 7.17 0.00 0.00 2.91 0.13 -1.89 -0.17 132.00 140.14 1qf7 h PRO 393 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1qf7 h PRO 393 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1qf7 h PRO 393 CO 0.41 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.60 1qf7 n GLY 394 N -0.45 -1.34 3.55 1.56 0.00 -1.26 -4.51 105.19 102.74 1qf7 n GLY 394 Ca -0.01 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1qf7 n GLY 394 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qf7 s HIS 395 N -2.98 2.77 0.44 1.61 3.76 -0.08 -4.95 115.29 115.86 1qf7 s HIS 395 Ca 0.13 -1.34 0.06 0.00 -0.15 0.00 0.00 55.06 53.76 1qf7 s HIS 395 Cb 0.16 -4.66 -0.04 0.00 1.11 0.00 0.00 32.58 29.15 1qf7 s HIS 395 CO 0.45 -1.80 0.20 0.96 -0.85 0.00 0.00 174.74 173.70 1qf7 s ILE 396 N 4.19 2.11 0.15 0.60 -4.36 -1.26 -1.66 121.20 120.97 1qf7 s ILE 396 Ca 0.48 -1.69 0.03 0.00 -0.26 0.00 0.00 60.65 59.21 1qf7 s ILE 396 Cb 0.01 -2.80 -0.05 0.00 1.25 0.00 0.00 42.46 40.88 1qf7 s ILE 396 CO -0.01 0.00 -0.04 0.68 0.24 0.00 0.00 174.94 175.81 1qf7 s VAL 397 N -2.65 0.83 0.21 8.37 -7.23 -1.26 -4.83 120.40 113.84 1qf7 s VAL 397 Ca 0.37 -1.99 -0.32 0.00 -1.81 0.00 0.00 61.98 58.22 1qf7 s VAL 397 Cb 0.03 -1.98 -0.13 0.00 0.56 0.00 0.00 36.38 34.86 1qf7 s VAL 397 CO 0.21 -0.62 1.51 -2.65 -0.31 0.00 0.00 175.10 173.24 1qf7 n PRO 398 N -0.20 2.17 0.00 4.82 -0.02 -1.26 -1.40 135.00 139.11 1qf7 n PRO 398 Ca -0.09 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1qf7 n PRO 398 Cb 0.62 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1qf7 n PRO 398 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qf7 n GLY 399 N 2.73 0.68 3.33 -1.23 0.00 -1.26 -3.40 105.19 106.04 1qf7 n GLY 399 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1qf7 n GLY 399 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qf7 s LEU 400 N 0.00 2.47 0.31 0.99 1.43 -0.49 -1.44 118.68 121.96 1qf7 s LEU 400 Ca 0.00 -0.90 -0.15 0.00 -1.03 0.00 0.00 54.13 52.04 1qf7 s LEU 400 Cb 0.00 -0.76 0.02 0.00 0.03 0.00 0.00 46.19 45.48 1qf7 s LEU 400 CO 0.00 -0.08 0.66 -0.62 0.23 0.00 0.00 176.35 176.53 1qf7 s ASP 401 N -2.84 0.00 0.72 2.29 -1.08 -0.10 -4.72 116.67 110.95 1qf7 s ASP 401 Ca 0.17 -0.95 0.01 0.00 -0.52 0.00 0.00 52.55 51.26 1qf7 s ASP 401 Cb -0.04 0.73 0.14 0.00 -1.46 0.00 0.00 42.92 42.28 1qf7 s ASP 401 CO 0.06 -1.40 0.99 0.49 0.52 0.00 0.00 175.17 175.84 1qf7 n PHE 402 N -0.48 -2.82 -4.49 -5.34 3.72 -1.26 -0.39 117.46 106.41 1qf7 n PHE 402 Ca -0.04 -1.87 -0.24 0.00 -0.05 0.00 0.00 57.45 55.25 1qf7 n PHE 402 Cb 0.60 -0.72 -0.09 0.00 -0.94 0.00 0.00 39.48 38.34 1qf7 n PHE 402 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1qf7 s THR 403 N -3.09 0.66 -1.98 4.37 -4.23 -1.26 -4.33 115.64 105.77 1qf7 s THR 403 Ca 0.67 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1qf7 s THR 403 Cb -0.04 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1qf7 s THR 403 CO 0.44 0.00 0.92 0.59 -0.54 0.00 0.00 174.62 176.03 1qf7 n ASN 404 N -1.19 0.02 -4.67 3.99 3.02 -1.26 -4.70 115.26 110.47 1qf7 n ASN 404 Ca -0.05 -1.86 -0.57 0.00 -0.03 0.00 0.00 54.58 52.07 1qf7 n ASN 404 Cb 0.65 -0.01 -0.07 0.00 -0.61 0.00 0.00 39.78 39.74 1qf7 n ASN 404 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1qf7 n ASP 405 N -0.49 1.98 0.10 6.41 -0.08 -1.26 -4.81 116.55 118.40 1qf7 n ASP 405 Ca 0.00 1.10 0.12 0.00 -1.51 0.00 0.00 54.79 54.50 1qf7 n ASP 405 Cb 0.01 -1.12 0.45 0.00 2.34 0.00 0.00 41.12 42.79 1qf7 n ASP 405 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1qf7 n PRO 406 N 4.30 0.20 -0.05 -0.67 -0.04 -1.26 -1.04 135.00 136.44 1qf7 n PRO 406 Ca 0.24 0.27 -0.17 0.00 -0.04 0.00 0.00 63.50 63.81 1qf7 n PRO 406 Cb 0.13 -1.78 -0.13 0.00 -0.04 0.00 0.00 33.50 31.67 1qf7 n PRO 406 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1qf7 h LEU 407 N 0.00 0.10 -0.55 1.53 5.85 -1.81 -2.70 115.31 117.73 1qf7 h LEU 407 Ca 0.00 -0.90 0.09 0.00 0.84 0.00 0.00 57.88 57.91 1qf7 h LEU 407 Cb 0.55 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 1qf7 h LEU 407 CO 0.00 1.19 0.15 0.25 -0.34 0.00 0.00 178.44 179.69 1qf7 h LEU 408 N -0.86 0.09 -0.47 2.25 5.85 -1.86 -1.68 115.31 118.63 1qf7 h LEU 408 Ca -0.10 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.79 1qf7 h LEU 408 Cb 1.20 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.26 1qf7 h LEU 408 CO -0.01 0.07 0.05 1.56 -0.34 0.00 0.00 178.44 179.77 1qf7 h GLN 409 N 0.30 0.17 0.00 1.25 1.08 -1.23 -2.02 115.11 114.67 1qf7 h GLN 409 Ca 0.28 -0.01 -0.13 0.00 -1.45 0.00 0.00 58.65 57.34 1qf7 h GLN 409 Cb 0.37 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1qf7 h GLN 409 CO -0.33 0.11 -0.60 0.78 -0.95 0.00 0.00 178.83 177.84 1qf7 h GLY 410 N 0.17 0.00 2.00 3.46 0.00 -1.48 -2.81 103.07 104.42 1qf7 h GLY 410 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1qf7 h GLY 410 CO -0.35 0.00 -0.03 3.21 0.00 0.00 0.00 176.54 179.37 1qf7 h ARG 411 N 0.00 0.00 -0.16 4.80 3.08 -0.63 -2.29 114.38 119.19 1qf7 h ARG 411 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1qf7 h ARG 411 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 1qf7 h ARG 411 CO 0.08 0.03 -0.10 -0.07 -1.07 0.00 0.00 179.97 178.84 1qf7 h LEU 412 N 0.00 0.23 0.09 3.04 3.38 -1.14 -3.06 115.31 117.85 1qf7 h LEU 412 Ca -0.00 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.74 1qf7 h LEU 412 Cb 0.07 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 40.78 1qf7 h LEU 412 CO 0.00 0.36 -0.77 0.15 0.09 0.00 0.00 178.44 178.27 1qf7 h PHE 413 N 0.23 0.61 -0.66 1.13 3.57 -1.57 -3.41 116.94 116.84 1qf7 h PHE 413 Ca 0.05 -0.39 -0.05 0.00 3.53 0.00 0.00 57.97 61.11 1qf7 h PHE 413 Cb 0.33 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1qf7 h PHE 413 CO 0.01 1.26 0.22 1.03 -2.23 0.00 0.00 178.31 178.60 1qf7 h SER 414 N -0.22 0.93 0.13 0.41 0.87 -1.45 -3.21 113.55 111.02 1qf7 h SER 414 Ca -0.12 -0.16 -0.24 0.00 -1.23 0.00 0.00 61.79 60.04 1qf7 h SER 414 Cb 1.54 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 63.27 1qf7 h SER 414 CO 0.15 0.86 -0.97 1.88 -0.53 0.00 0.00 176.83 178.22 1qf7 h TYR 415 N 0.97 0.86 -0.76 2.24 -1.99 -1.79 -1.87 116.97 114.63 1qf7 h TYR 415 Ca 0.22 -0.46 -0.02 0.00 2.00 0.00 0.00 58.73 60.47 1qf7 h TYR 415 Cb 0.26 -0.10 -0.03 0.00 2.00 0.00 0.00 36.73 38.85 1qf7 h TYR 415 CO 0.02 1.28 0.38 1.15 -0.00 0.00 0.00 178.16 180.99 1qf7 h THR 416 N 0.34 1.24 0.20 -2.88 2.02 -1.83 -2.28 112.91 109.71 1qf7 h THR 416 Ca -0.10 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1qf7 h THR 416 Cb 1.61 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1qf7 h THR 416 CO 0.18 0.28 -0.09 -0.78 0.37 0.00 0.00 175.52 175.48 1qf7 h ASP 417 N 1.06 -0.22 -0.24 4.18 3.58 -1.53 -2.81 116.42 120.44 1qf7 h ASP 417 Ca 0.26 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 1qf7 h ASP 417 Cb 0.10 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1qf7 h ASP 417 CO -0.04 -0.05 0.13 0.00 -2.88 0.00 0.00 179.24 176.40 1qf7 h THR 418 N -0.39 1.11 0.00 2.25 1.03 -1.35 -2.60 112.91 112.96 1qf7 h THR 418 Ca -0.03 -0.31 -0.05 0.00 -0.01 0.00 0.00 66.41 66.02 1qf7 h THR 418 Cb 0.30 0.76 -0.01 0.00 -1.07 0.00 0.00 68.15 68.13 1qf7 h THR 418 CO 0.04 0.12 -0.22 1.56 -0.01 0.00 0.00 175.52 177.02 1qf7 h GLN 419 N 0.39 0.00 -0.29 0.00 4.20 -1.15 -1.96 115.11 116.31 1qf7 h GLN 419 Ca 0.10 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 1qf7 h GLN 419 Cb 0.06 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1qf7 h GLN 419 CO -0.01 0.22 0.01 0.82 -0.67 0.00 0.00 178.83 179.19 1qf7 h ILE 420 N 0.00 1.17 0.03 2.54 1.08 -1.36 -0.99 117.51 119.99 1qf7 h ILE 420 Ca -0.00 -0.67 -0.37 0.00 -0.39 0.00 0.00 64.86 63.44 1qf7 h ILE 420 Cb 0.60 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 35.24 1qf7 h ILE 420 CO 0.03 0.23 -2.24 -1.54 -0.69 0.00 0.00 178.15 173.93 1qf7 n SER 421 N -4.32 1.46 -0.19 1.72 3.41 -1.07 -1.17 113.62 113.46 1qf7 n SER 421 Ca 0.01 0.05 -0.07 0.00 -0.26 0.00 0.00 58.87 58.60 1qf7 n SER 421 Cb 0.22 -0.18 0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1qf7 n SER 421 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1qf7 h ARG 422 N 0.02 0.75 -0.38 4.33 2.43 -1.32 -3.15 114.38 117.05 1qf7 h ARG 422 Ca -0.50 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1qf7 h ARG 422 Cb 2.02 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.43 1qf7 h ARG 422 CO 0.00 0.58 0.00 1.28 -1.51 0.00 0.00 179.97 180.32 1qf7 n LEU 423 N -4.62 4.58 0.00 3.80 4.77 -0.38 -4.38 117.00 120.76 1qf7 n LEU 423 Ca 0.03 -2.97 0.00 0.00 -0.03 0.00 0.00 56.01 53.04 1qf7 n LEU 423 Cb 0.09 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1qf7 n LEU 423 CO 0.37 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 1qf7 n GLY 424 N -0.05 0.31 0.00 -0.72 0.00 -1.16 -4.80 105.19 98.77 1qf7 n GLY 424 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1qf7 n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qf7 n GLY 425 N -1.48 -2.14 0.27 -0.02 0.00 -0.32 -4.79 105.19 96.71 1qf7 n GLY 425 Ca 0.00 -1.27 0.15 0.00 0.00 0.00 0.00 46.02 44.90 1qf7 n GLY 425 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qf7 n PRO 426 N -0.48 1.28 -0.94 1.61 -0.04 -1.26 -3.87 135.00 131.29 1qf7 n PRO 426 Ca 0.00 -0.54 -0.19 0.00 -0.04 0.00 0.00 63.50 62.73 1qf7 n PRO 426 Cb 0.00 -1.49 0.12 0.00 -0.04 0.00 0.00 33.50 32.09 1qf7 n PRO 426 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qf7 n ASN 427 N -0.39 4.05 0.17 3.54 3.02 -1.26 -4.56 115.26 119.83 1qf7 n ASN 427 Ca 0.19 -3.22 0.13 0.00 -0.03 0.00 0.00 54.58 51.65 1qf7 n ASN 427 Cb 0.27 -0.79 0.59 0.00 -0.61 0.00 0.00 39.78 39.24 1qf7 n ASN 427 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1qf7 h PHE 428 N 0.88 0.00 0.00 3.10 -5.15 -1.87 -1.05 116.94 112.84 1qf7 h PHE 428 Ca 0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.24 1qf7 h PHE 428 Cb 2.18 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.35 1qf7 h PHE 428 CO 1.18 0.00 0.00 -2.39 -2.00 0.00 0.00 178.31 175.10 1qf7 n HIS 429 N -2.40 0.00 0.89 6.09 1.44 -1.26 -2.16 115.22 117.82 1qf7 n HIS 429 Ca 0.01 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 1qf7 n HIS 429 Cb 0.17 -0.47 0.18 0.00 0.12 0.00 0.00 29.99 29.99 1qf7 n HIS 429 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1qf7 n GLU 430 N -1.47 0.07 -1.96 -1.40 1.02 -0.40 -3.39 120.64 113.11 1qf7 n GLU 430 Ca 0.05 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.78 1qf7 n GLU 430 Cb 0.22 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 1qf7 n GLU 430 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1qf7 s ILE 431 N -3.05 2.63 0.21 -3.67 1.01 -0.92 -4.85 121.20 112.56 1qf7 s ILE 431 Ca 0.09 0.47 -0.18 0.00 0.00 0.00 0.00 60.65 61.03 1qf7 s ILE 431 Cb 0.16 -3.30 0.20 0.00 0.01 0.00 0.00 42.46 39.53 1qf7 s ILE 431 CO 0.73 0.05 1.58 -0.65 0.00 0.00 0.00 174.94 176.65 1qf7 h PRO 432 N 6.21 -0.09 -0.83 2.79 0.11 -1.90 -0.73 132.00 137.56 1qf7 h PRO 432 Ca -0.44 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.74 1qf7 h PRO 432 Cb 1.21 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 1qf7 h PRO 432 CO 0.87 -0.06 0.55 0.97 -0.21 0.00 0.00 178.00 180.12 1qf7 h ILE 433 N -0.09 1.07 0.00 4.15 6.09 -1.90 -2.49 117.51 124.34 1qf7 h ILE 433 Ca 0.29 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 63.45 1qf7 h ILE 433 Cb 0.56 0.04 0.00 0.00 0.47 0.00 0.00 36.82 37.89 1qf7 h ILE 433 CO -0.77 0.17 0.00 0.59 -3.07 0.00 0.00 178.15 175.07 1qf7 n ASN 434 N -4.48 0.26 -4.72 2.19 3.02 -0.30 -4.92 115.26 106.32 1qf7 n ASN 434 Ca 0.12 0.53 -0.42 0.00 -0.03 0.00 0.00 54.58 54.78 1qf7 n ASN 434 Cb 0.19 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.73 1qf7 n ASN 434 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1qf7 s ARG 435 N -3.04 4.29 0.79 3.52 0.52 -0.94 -4.84 118.95 119.25 1qf7 s ARG 435 Ca 0.13 2.16 -0.15 0.00 -0.52 0.00 0.00 55.73 57.35 1qf7 s ARG 435 Cb 0.16 -3.22 0.00 0.00 0.52 0.00 0.00 34.95 32.42 1qf7 s ARG 435 CO 0.54 -0.48 0.66 -2.30 0.02 0.00 0.00 175.30 173.74 1qf7 n PRO 436 N 3.88 0.18 -0.00 3.54 -0.02 -1.26 -4.92 135.00 136.39 1qf7 n PRO 436 Ca 0.12 0.11 0.10 0.00 -2.02 0.00 0.00 63.50 61.81 1qf7 n PRO 436 Cb 0.41 -1.98 -0.13 0.00 -0.02 0.00 0.00 33.50 31.78 1qf7 n PRO 436 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1qf7 n THR 437 N -2.81 0.00 -2.72 3.45 -2.24 -1.26 -4.93 114.28 103.77 1qf7 n THR 437 Ca 0.10 -0.18 -0.21 0.00 -2.27 0.00 0.00 64.05 61.49 1qf7 n THR 437 Cb 0.51 0.66 0.03 0.00 -2.10 0.00 0.00 70.33 69.43 1qf7 n THR 437 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qf7 s PRO 439 N -4.69 2.62 -0.15 0.00 0.02 -1.26 -5.03 135.00 126.51 1qf7 s PRO 439 Ca 0.56 1.81 -0.06 0.00 0.02 0.00 0.00 61.00 63.33 1qf7 s PRO 439 Cb -0.10 -1.89 0.06 0.00 0.02 0.00 0.00 34.50 32.60 1qf7 s PRO 439 CO 0.38 -1.47 0.32 1.52 -0.33 0.00 0.00 177.00 177.42 1qf7 s TYR 440 N -1.74 -0.52 -0.05 6.54 -0.85 -1.26 -4.99 117.35 114.48 1qf7 s TYR 440 Ca 0.76 1.12 -0.03 0.00 -0.52 0.00 0.00 57.07 58.40 1qf7 s TYR 440 Cb -0.30 0.12 0.03 0.00 0.38 0.00 0.00 41.96 42.19 1qf7 s TYR 440 CO 0.39 -0.35 0.12 -1.01 -1.52 0.00 0.00 175.55 173.18 1qf7 s HIS 441 N 1.95 -0.13 0.00 -3.49 3.76 -1.26 -5.16 115.29 110.96 1qf7 s HIS 441 Ca -0.04 0.39 0.00 0.00 -0.15 0.00 0.00 55.06 55.26 1qf7 s HIS 441 Cb -0.11 -0.06 0.00 0.00 1.11 0.00 0.00 32.58 33.52 1qf7 s HIS 441 CO -0.10 -0.13 0.00 0.27 -0.85 0.00 0.00 174.74 173.93 1qf7 n ASN 442 N 3.83 0.00 -1.19 1.40 0.23 -1.26 -4.92 115.26 113.35 1qf7 n ASN 442 Ca -0.22 -0.82 0.10 0.00 -0.53 0.00 0.00 54.58 53.10 1qf7 n ASN 442 Cb 0.54 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 38.52 1qf7 n ASN 442 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1qf7 n PHE 443 N 0.00 0.91 -2.33 -2.53 3.72 -1.26 -4.91 117.46 111.05 1qf7 n PHE 443 Ca 0.00 -0.52 -0.41 0.00 -0.05 0.00 0.00 57.45 56.47 1qf7 n PHE 443 Cb 0.00 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.46 1qf7 n PHE 443 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1qf7 s GLN 444 N -1.16 4.52 0.14 -1.08 -0.21 -1.26 -4.66 119.66 115.95 1qf7 s GLN 444 Ca 0.42 1.96 -0.00 0.00 0.02 0.00 0.00 55.36 57.77 1qf7 s GLN 444 Cb 0.23 -3.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.05 1qf7 s GLN 444 CO 0.27 0.03 0.03 1.03 -2.12 0.00 0.00 175.29 174.53 1qf7 s ARG 445 N -1.40 0.95 3.19 2.91 1.81 -1.26 -5.08 118.95 120.07 1qf7 s ARG 445 Ca 0.47 -1.45 0.00 0.00 -1.72 0.00 0.00 55.73 53.04 1qf7 s ARG 445 Cb -0.35 0.06 0.00 0.00 -0.45 0.00 0.00 34.95 34.21 1qf7 s ARG 445 CO 0.45 -0.20 0.00 -0.25 -0.68 0.00 0.00 175.30 174.62 1qf7 n ASP 446 N -0.12 -1.31 0.00 0.23 8.00 -1.26 -5.08 116.55 117.02 1qf7 n ASP 446 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1qf7 n ASP 446 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1qf7 n ASP 446 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qf7 n GLY 447 N 0.00 0.04 3.60 0.44 0.00 -1.26 -4.68 105.19 103.33 1qf7 n GLY 447 Ca 0.00 -1.53 -0.45 0.00 0.00 0.00 0.00 46.02 44.04 1qf7 n GLY 447 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1qf7 n MET 448 N 0.53 1.44 -3.74 1.61 1.56 -1.26 -2.76 117.12 114.51 1qf7 n MET 448 Ca 0.00 0.51 -0.24 0.00 -0.27 0.00 0.00 57.70 57.70 1qf7 n MET 448 Cb 0.00 -1.92 0.04 0.00 2.15 0.00 0.00 33.22 33.49 1qf7 n MET 448 CO 0.00 0.00 0.00 1.58 -0.73 0.00 0.00 175.97 176.82 1qf7 n HIS 449 N 0.42 -2.09 -2.28 1.12 -0.00 -1.26 -4.46 115.22 106.67 1qf7 n HIS 449 Ca 0.10 0.88 -0.43 0.00 -0.00 0.00 0.00 57.72 58.27 1qf7 n HIS 449 Cb 0.32 -4.37 -0.02 0.00 -0.00 0.00 0.00 29.99 25.92 1qf7 n HIS 449 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1qf7 s ARG 450 N -6.13 4.12 -0.21 1.57 6.06 -1.11 -4.90 118.95 118.36 1qf7 s ARG 450 Ca 0.22 1.74 -0.21 0.00 -2.50 0.00 0.00 55.73 54.98 1qf7 s ARG 450 Cb -0.11 -3.87 -0.18 0.00 0.06 0.00 0.00 34.95 30.86 1qf7 s ARG 450 CO 0.81 -0.87 0.17 -1.33 -2.50 0.00 0.00 175.30 171.57 1qf7 n MET 451 N 6.96 0.56 -1.80 5.12 2.81 -1.26 -4.94 117.12 124.57 1qf7 n MET 451 Ca 0.15 0.56 -0.42 0.00 -1.81 0.00 0.00 57.70 56.19 1qf7 n MET 451 Cb 0.45 -1.74 -0.03 0.00 -0.71 0.00 0.00 33.22 31.19 1qf7 n MET 451 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1qf7 s GLY 452 N -4.84 1.33 -0.41 3.03 0.00 -1.26 -4.97 107.32 100.20 1qf7 s GLY 452 Ca -0.28 1.51 -0.10 0.00 0.00 0.00 0.00 44.72 45.85 1qf7 s GLY 452 CO 0.56 2.81 0.25 -0.42 0.00 0.00 0.00 173.10 176.30 1qf7 s ILE 453 N 1.22 4.39 0.05 0.90 1.01 -1.26 -4.98 121.20 122.53 1qf7 s ILE 453 Ca 0.73 -1.23 -0.28 0.00 0.00 0.00 0.00 60.65 59.87 1qf7 s ILE 453 Cb -0.48 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1qf7 s ILE 453 CO 0.32 -0.44 0.89 -1.81 0.00 0.00 0.00 174.94 173.90 1qf7 s ASP 454 N 2.01 7.34 0.00 3.58 1.01 -1.26 -4.94 116.67 124.41 1qf7 s ASP 454 Ca 0.03 1.61 0.15 0.00 0.71 0.00 0.00 52.55 55.05 1qf7 s ASP 454 Cb -0.22 -2.53 -0.14 0.00 1.01 0.00 0.00 42.92 41.04 1qf7 s ASP 454 CO 0.04 -0.10 0.69 0.35 0.21 0.00 0.00 175.17 176.36 1qf7 n THR 455 N 3.19 0.00 -1.68 -1.27 -2.24 -1.26 -4.96 114.28 106.06 1qf7 n THR 455 Ca 0.02 -0.18 -0.47 0.00 -2.27 0.00 0.00 64.05 61.15 1qf7 n THR 455 Cb 0.50 1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 69.72 1qf7 n THR 455 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1qf7 n ASN 456 N -1.12 3.38 0.27 3.42 2.85 -1.26 -4.83 115.26 117.97 1qf7 n ASN 456 Ca 0.04 1.01 0.10 0.00 -0.11 0.00 0.00 54.58 55.61 1qf7 n ASN 456 Cb 0.26 -1.40 0.70 0.00 1.24 0.00 0.00 39.78 40.58 1qf7 n ASN 456 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1qf7 h PRO 457 N 8.18 0.00 -5.91 1.20 0.11 -1.93 -3.42 132.00 130.24 1qf7 h PRO 457 Ca -0.47 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.00 1qf7 h PRO 457 Cb 1.26 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.31 1qf7 h PRO 457 CO 0.93 0.01 -0.53 0.00 -0.21 0.00 0.00 178.00 178.20 1qf7 s ALA 458 N -4.96 3.83 -0.15 -0.75 0.00 -1.26 -4.99 121.76 113.47 1qf7 s ALA 458 Ca -0.05 -0.82 0.14 0.00 0.00 0.00 0.00 51.96 51.23 1qf7 s ALA 458 Cb 0.17 -1.75 0.38 0.00 0.00 0.00 0.00 23.12 21.91 1qf7 s ALA 458 CO 0.64 0.74 1.19 0.27 0.00 0.00 0.00 175.76 178.61 1qf7 n ASN 459 N 0.89 1.61 -3.61 0.00 2.04 -1.26 -5.00 115.26 109.93 1qf7 n ASN 459 Ca -0.11 -3.36 -0.12 0.00 -0.44 0.00 0.00 54.58 50.55 1qf7 n ASN 459 Cb 0.52 -0.46 -0.05 0.00 -2.53 0.00 0.00 39.78 37.26 1qf7 n ASN 459 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1qf7 s TYR 460 N -2.48 -0.31 0.01 -2.53 1.13 -1.26 -4.80 117.35 107.11 1qf7 s TYR 460 Ca 0.35 0.21 0.00 0.00 -1.41 0.00 0.00 57.07 56.21 1qf7 s TYR 460 Cb 0.34 0.29 -0.01 0.00 -1.10 0.00 0.00 41.96 41.48 1qf7 s TYR 460 CO -0.07 -0.65 -0.02 -1.83 -2.51 0.00 0.00 175.55 170.47 1qf7 s GLU 461 N -2.95 0.22 0.42 -3.49 4.04 -1.26 -4.01 118.70 111.67 1qf7 s GLU 461 Ca -0.02 -0.43 -0.23 0.00 0.04 0.00 0.00 54.97 54.32 1qf7 s GLU 461 Cb 0.00 0.07 -0.09 0.00 0.02 0.00 0.00 34.13 34.13 1qf7 s GLU 461 CO -0.06 -0.03 1.07 -1.25 -1.84 0.00 0.00 175.26 173.15 1qf7 s PRO 462 N -1.02 4.06 0.07 -4.83 0.04 -1.26 -5.20 135.00 126.86 1qf7 s PRO 462 Ca -0.11 1.55 0.05 0.00 0.04 0.00 0.00 61.00 62.53 1qf7 s PRO 462 Cb -0.07 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 1qf7 s PRO 462 CO -0.01 -0.24 -0.13 0.54 0.04 0.00 0.00 177.00 177.20 1qf7 s ASN 463 N -1.56 1.58 -0.07 6.66 2.20 -1.26 -5.04 114.94 117.45 1qf7 s ASN 463 Ca 0.60 -0.63 0.21 0.00 -0.94 0.00 0.00 52.86 52.09 1qf7 s ASN 463 Cb -0.23 -0.04 -0.31 0.00 -2.00 0.00 0.00 41.25 38.68 1qf7 s ASN 463 CO 0.28 -0.11 0.39 -1.54 -2.94 0.00 0.00 177.10 173.18 1qf7 n SER 464 N 1.22 0.03 0.21 3.54 3.41 -1.26 -1.59 113.62 119.17 1qf7 n SER 464 Ca -0.21 0.01 0.15 0.00 -0.26 0.00 0.00 58.87 58.56 1qf7 n SER 464 Cb 0.55 1.67 0.66 0.00 -0.26 0.00 0.00 64.21 66.82 1qf7 n SER 464 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1qf7 h ILE 465 N 0.00 0.00 0.00 -1.33 3.07 -1.98 -1.71 117.51 115.56 1qf7 h ILE 465 Ca -0.15 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 65.99 1qf7 h ILE 465 Cb 1.35 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 1qf7 h ILE 465 CO 0.01 0.00 -0.12 -3.20 -1.05 0.00 0.00 178.15 173.79 1qf7 n ASN 466 N -2.62 1.57 -3.00 2.16 5.15 -1.26 -4.89 115.26 112.37 1qf7 n ASN 466 Ca 0.01 -2.51 -0.22 0.00 -0.60 0.00 0.00 54.58 51.25 1qf7 n ASN 466 Cb 0.21 -0.28 0.04 0.00 -0.53 0.00 0.00 39.78 39.22 1qf7 n ASN 466 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1qf7 n ASP 467 N -0.85 -6.16 -1.03 1.20 2.03 -0.64 -1.87 116.55 109.24 1qf7 n ASP 467 Ca 0.09 -0.29 -0.13 0.00 0.52 0.00 0.00 54.79 54.97 1qf7 n ASP 467 Cb 0.58 -4.97 -0.06 0.00 -0.72 0.00 0.00 41.12 35.96 1qf7 n ASP 467 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1qf7 n ASN 468 N -2.51 -4.87 -4.87 1.67 5.15 -0.62 -5.01 115.26 104.20 1qf7 n ASN 468 Ca -0.11 0.33 -0.32 0.00 -0.60 0.00 0.00 54.58 53.88 1qf7 n ASN 468 Cb 0.62 -3.55 -0.05 0.00 -0.53 0.00 0.00 39.78 36.27 1qf7 n ASN 468 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1qf7 s TRP 469 N -2.41 3.41 0.50 1.20 0.52 -0.78 -3.80 118.94 117.58 1qf7 s TRP 469 Ca 0.00 0.99 -0.21 0.00 0.02 0.00 0.00 56.10 56.90 1qf7 s TRP 469 Cb 0.00 -2.36 -0.07 0.00 -1.15 0.00 0.00 33.47 29.89 1qf7 s TRP 469 CO 0.00 0.17 1.11 -1.25 0.02 0.00 0.00 176.95 177.00 1qf7 s PRO 470 N -3.02 3.59 0.13 4.98 0.04 -1.26 -4.89 135.00 134.57 1qf7 s PRO 470 Ca 0.50 1.57 0.05 0.00 0.04 0.00 0.00 61.00 63.16 1qf7 s PRO 470 Cb -0.11 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1qf7 s PRO 470 CO 0.21 -0.64 0.06 1.03 0.04 0.00 0.00 177.00 177.70 1qf7 s ARG 471 N -3.11 2.69 0.71 4.56 0.52 -1.25 -5.03 118.95 118.05 1qf7 s ARG 471 Ca 0.69 -0.87 -0.16 0.00 -0.52 0.00 0.00 55.73 54.86 1qf7 s ARG 471 Cb -0.23 -2.57 0.02 0.00 0.52 0.00 0.00 34.95 32.69 1qf7 s ARG 471 CO 0.27 0.51 1.22 0.39 0.02 0.00 0.00 175.30 177.71 1qf7 n GLU 472 N 0.13 0.74 -4.19 3.54 1.02 -1.26 -5.04 120.64 115.58 1qf7 n GLU 472 Ca -0.09 0.32 -0.24 0.00 -0.02 0.00 0.00 57.16 57.12 1qf7 n GLU 472 Cb 0.53 -2.46 -0.17 0.00 -0.02 0.00 0.00 31.44 29.33 1qf7 n GLU 472 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1qf7 s THR 473 N -1.67 0.92 0.60 2.62 2.01 -1.26 -5.08 115.64 113.78 1qf7 s THR 473 Ca 0.79 -0.29 -0.20 0.00 0.31 0.00 0.00 61.69 62.30 1qf7 s THR 473 Cb -0.35 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1qf7 s THR 473 CO 0.45 0.33 1.26 -2.65 -0.69 0.00 0.00 174.62 173.32 1qf7 n PRO 474 N 4.38 1.30 -0.95 4.92 -0.02 -1.26 -1.87 135.00 141.50 1qf7 n PRO 474 Ca -0.18 0.49 -0.33 0.00 -2.02 0.00 0.00 63.50 61.47 1qf7 n PRO 474 Cb 0.51 -2.48 0.14 0.00 -0.02 0.00 0.00 33.50 31.65 1qf7 n PRO 474 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1qf7 s PRO 475 N -3.06 1.39 -0.00 0.52 0.04 -1.25 -1.54 135.00 131.10 1qf7 s PRO 475 Ca 0.77 1.69 -0.20 0.00 0.04 0.00 0.00 61.00 63.30 1qf7 s PRO 475 Cb -0.40 -1.76 0.07 0.00 0.04 0.00 0.00 34.50 32.45 1qf7 s PRO 475 CO 0.45 -2.39 0.91 0.41 0.04 0.00 0.00 177.00 176.43 1qf7 n GLY 476 N 0.40 0.37 0.21 0.56 0.00 -1.26 -4.78 105.19 100.69 1qf7 n GLY 476 Ca 0.13 -1.00 0.05 0.00 0.00 0.00 0.00 46.02 45.20 1qf7 n GLY 476 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1qf7 h PRO 477 N 0.00 0.00 -2.74 1.61 0.11 -1.95 -3.40 132.00 125.63 1qf7 h PRO 477 Ca -0.16 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.84 1qf7 h PRO 477 Cb 0.85 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 31.74 1qf7 h PRO 477 CO 0.23 0.28 -0.20 -1.59 -0.21 0.00 0.00 178.00 176.50 1qf7 s LYS 478 N -4.32 0.58 -1.78 1.05 0.00 -1.26 -4.86 119.74 109.15 1qf7 s LYS 478 Ca -0.03 0.37 0.00 0.00 0.00 0.00 0.00 55.97 56.31 1qf7 s LYS 478 Cb 0.15 0.27 0.00 0.00 0.00 0.00 0.00 37.83 38.25 1qf7 s LYS 478 CO 0.70 -0.11 0.00 0.54 0.00 0.00 0.00 175.35 176.48 1qf7 n ARG 479 N 2.33 -1.65 -2.91 1.78 5.12 -1.26 -4.97 116.66 115.10 1qf7 n ARG 479 Ca -0.16 1.00 -0.18 0.00 -1.93 0.00 0.00 57.85 56.58 1qf7 n ARG 479 Cb 0.57 -5.54 0.02 0.00 -1.16 0.00 0.00 32.46 26.35 1qf7 n ARG 479 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1qf7 s GLY 480 N -2.26 1.91 0.70 -0.13 0.00 -1.26 -4.96 107.32 101.31 1qf7 s GLY 480 Ca 0.00 -1.60 -0.11 0.00 0.00 0.00 0.00 44.72 43.01 1qf7 s GLY 480 CO 0.00 -1.38 1.07 -0.32 0.00 0.00 0.00 173.10 172.47 1qf7 s GLY 481 N -4.39 1.73 0.12 0.20 0.00 -0.59 -4.75 107.32 99.65 1qf7 s GLY 481 Ca 0.56 0.16 -0.30 0.00 0.00 0.00 0.00 44.72 45.14 1qf7 s GLY 481 CO 0.35 0.48 1.01 -0.12 0.00 0.00 0.00 173.10 174.82 1qf7 s PHE 482 N -2.93 3.73 -0.03 1.90 2.19 -1.26 -3.81 117.98 117.76 1qf7 s PHE 482 Ca 0.59 1.72 -0.00 0.00 0.33 0.00 0.00 56.93 59.57 1qf7 s PHE 482 Cb -0.15 -3.13 0.03 0.00 -1.31 0.00 0.00 43.02 38.46 1qf7 s PHE 482 CO 0.53 -0.08 0.01 -2.00 1.83 0.00 0.00 175.22 175.51 1qf7 s GLU 483 N 0.05 0.24 0.54 10.12 2.12 -1.26 -4.93 118.70 125.58 1qf7 s GLU 483 Ca 0.49 0.13 -0.20 0.00 0.36 0.00 0.00 54.97 55.75 1qf7 s GLU 483 Cb -0.25 -0.50 -0.06 0.00 0.26 0.00 0.00 34.13 33.58 1qf7 s GLU 483 CO 0.31 -0.18 1.14 -1.12 -0.54 0.00 0.00 175.26 174.87 1qf7 s SER 484 N 1.25 5.72 0.20 -1.70 0.01 -1.26 -4.95 113.70 112.98 1qf7 s SER 484 Ca -0.07 2.20 -0.30 0.00 1.31 0.00 0.00 55.95 59.09 1qf7 s SER 484 Cb -0.13 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.42 1qf7 s SER 484 CO -0.02 -1.22 1.40 -0.47 0.41 0.00 0.00 173.24 173.34 1qf7 s TYR 485 N -1.74 3.14 -1.53 2.43 5.04 -1.26 -4.87 117.35 118.56 1qf7 s TYR 485 Ca 0.72 1.05 -0.10 0.00 -2.44 0.00 0.00 57.07 56.30 1qf7 s TYR 485 Cb -0.25 -3.73 -0.07 0.00 0.35 0.00 0.00 41.96 38.26 1qf7 s TYR 485 CO 0.28 -2.42 2.79 1.04 -1.34 0.00 0.00 175.55 175.90 1qf7 n GLN 486 N 2.81 3.42 -1.98 4.97 6.02 -1.26 -4.95 117.38 126.41 1qf7 n GLN 486 Ca 0.08 -2.16 -0.37 0.00 -0.01 0.00 0.00 57.00 54.53 1qf7 n GLN 486 Cb 0.41 -2.82 0.03 0.00 1.02 0.00 0.00 30.24 28.88 1qf7 n GLN 486 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1qf7 s GLU 487 N 2.44 3.23 -0.05 -1.09 2.12 -1.26 -4.96 118.70 119.14 1qf7 s GLU 487 Ca 0.64 1.98 -0.24 0.00 0.36 0.00 0.00 54.97 57.72 1qf7 s GLU 487 Cb 0.17 -2.18 -0.04 0.00 0.26 0.00 0.00 34.13 32.34 1qf7 s GLU 487 CO -0.06 -1.04 0.72 0.50 -0.54 0.00 0.00 175.26 174.84 1qf7 s ARG 488 N -2.99 4.44 -0.12 4.30 6.06 -1.26 -5.04 118.95 124.34 1qf7 s ARG 488 Ca 0.72 0.92 0.01 0.00 -2.50 0.00 0.00 55.73 54.88 1qf7 s ARG 488 Cb -0.34 -3.43 -0.01 0.00 0.06 0.00 0.00 34.95 31.22 1qf7 s ARG 488 CO 0.39 0.09 -0.15 0.08 -2.50 0.00 0.00 175.30 173.22 1qf7 s VAL 489 N 0.68 2.91 -0.22 7.11 1.01 -1.26 -5.11 120.40 125.51 1qf7 s VAL 489 Ca 0.38 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 1qf7 s VAL 489 Cb -0.18 -2.20 0.09 0.00 0.00 0.00 0.00 36.38 34.08 1qf7 s VAL 489 CO 0.19 0.53 0.50 -0.70 0.00 0.00 0.00 175.10 175.63 1qf7 s GLU 490 N 0.26 0.46 0.00 2.72 2.12 -1.26 -5.15 118.70 117.85 1qf7 s GLU 490 Ca -0.10 1.07 0.00 0.00 0.36 0.00 0.00 54.97 56.29 1qf7 s GLU 490 Cb -0.16 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.51 1qf7 s GLU 490 CO 0.06 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 174.99 1qf7 n GLY 491 N 4.87 -0.27 3.97 -1.50 0.00 -1.26 -5.15 105.19 105.85 1qf7 n GLY 491 Ca -0.16 -1.46 -0.21 0.00 0.00 0.00 0.00 46.02 44.20 1qf7 n GLY 491 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qf7 s ASN 492 N 0.00 6.13 -0.45 1.61 0.01 -1.26 -5.00 114.94 115.98 1qf7 s ASN 492 Ca 0.00 0.03 -0.28 0.00 -0.71 0.00 0.00 52.86 51.90 1qf7 s ASN 492 Cb 0.00 -1.60 -0.01 0.00 0.41 0.00 0.00 41.25 40.05 1qf7 s ASN 492 CO 0.00 -0.30 1.70 -0.54 -1.51 0.00 0.00 177.10 176.45 1qf7 s LYS 493 N -4.15 3.17 0.05 -0.60 1.02 -1.26 -4.96 119.74 113.01 1qf7 s LYS 493 Ca 0.40 1.00 0.04 0.00 0.02 0.00 0.00 55.97 57.43 1qf7 s LYS 493 Cb -0.09 -4.21 -0.02 0.00 -0.52 0.00 0.00 37.83 32.98 1qf7 s LYS 493 CO 0.31 -2.07 -0.12 0.14 -0.92 0.00 0.00 175.35 172.70 1qf7 s VAL 494 N 7.17 0.91 -0.79 3.17 -7.23 -1.26 -5.07 120.40 117.29 1qf7 s VAL 494 Ca 0.70 -1.13 -0.16 0.00 -1.81 0.00 0.00 61.98 59.58 1qf7 s VAL 494 Cb -0.17 -0.89 0.17 0.00 0.56 0.00 0.00 36.38 36.05 1qf7 s VAL 494 CO 0.29 -0.21 0.83 -0.13 -0.31 0.00 0.00 175.10 175.57 1qf7 s ARG 495 N -1.49 3.47 -0.10 4.82 0.52 -1.26 -5.01 118.95 119.89 1qf7 s ARG 495 Ca -0.03 -2.04 -0.16 0.00 -0.52 0.00 0.00 55.73 52.98 1qf7 s ARG 495 Cb -0.09 -4.52 0.04 0.00 0.52 0.00 0.00 34.95 30.90 1qf7 s ARG 495 CO 0.01 -1.46 0.41 -2.00 0.02 0.00 0.00 175.30 172.28 1qf7 s GLU 496 N 1.34 0.60 0.04 3.54 2.12 -1.26 -5.14 118.70 119.94 1qf7 s GLU 496 Ca 0.20 0.31 -0.23 0.00 0.36 0.00 0.00 54.97 55.61 1qf7 s GLU 496 Cb -0.13 0.28 -0.06 0.00 0.26 0.00 0.00 34.13 34.49 1qf7 s GLU 496 CO -0.06 -0.12 0.68 0.50 -0.54 0.00 0.00 175.26 175.72 1qf7 s ARG 497 N -0.40 4.40 0.21 4.30 6.06 -1.26 -5.00 118.95 127.26 1qf7 s ARG 497 Ca -0.05 0.90 -0.31 0.00 -2.50 0.00 0.00 55.73 53.77 1qf7 s ARG 497 Cb -0.03 -3.33 -0.10 0.00 0.06 0.00 0.00 34.95 31.54 1qf7 s ARG 497 CO 0.03 0.39 1.53 0.45 -2.50 0.00 0.00 175.30 175.20 1qf7 s SER 498 N -0.35 6.58 0.46 -2.12 0.15 -1.26 -4.87 113.70 112.29 1qf7 s SER 498 Ca 0.34 2.67 0.18 0.00 0.70 0.00 0.00 55.95 59.84 1qf7 s SER 498 Cb -0.20 -2.61 1.14 0.00 -1.71 0.00 0.00 66.02 62.65 1qf7 s SER 498 CO 0.20 -0.80 1.95 -0.65 1.20 0.00 0.00 173.24 175.15 1qf7 h PRO 499 N 6.00 0.30 0.00 5.44 0.11 -2.00 0.16 132.00 142.01 1qf7 h PRO 499 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1qf7 h PRO 499 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1qf7 h PRO 499 CO 0.86 0.20 0.00 0.66 -0.21 0.00 0.00 178.00 179.50 1qf7 h SER 500 N 0.30 0.00 0.29 -2.05 4.64 -2.03 -1.46 113.55 113.25 1qf7 h SER 500 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1qf7 h SER 500 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1qf7 h SER 500 CO -0.08 0.00 -0.50 0.49 -0.87 0.00 0.00 176.83 175.87 1qf7 n PHE 501 N -2.31 0.00 -1.33 4.77 3.01 0.58 -4.23 117.46 117.94 1qf7 n PHE 501 Ca -0.01 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.20 1qf7 n PHE 501 Cb 0.07 -0.15 -0.09 0.00 -0.01 0.00 0.00 39.48 39.30 1qf7 n PHE 501 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qf7 n GLY 502 N 1.44 3.90 2.76 1.37 0.00 -0.55 -4.77 105.19 109.35 1qf7 n GLY 502 Ca 0.08 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.36 1qf7 n GLY 502 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qf7 s GLU 503 N 0.14 -0.03 0.00 1.61 -6.30 -1.26 -5.07 118.70 107.79 1qf7 s GLU 503 Ca 0.64 0.35 0.00 0.00 -2.50 0.00 0.00 54.97 53.46 1qf7 s GLU 503 Cb 0.30 -0.35 0.00 0.00 0.00 0.00 0.00 34.13 34.07 1qf7 s GLU 503 CO -0.09 -0.26 0.20 0.66 0.02 0.00 0.00 175.26 175.80 1qf7 n TYR 504 N 4.85 0.00 0.05 5.30 4.01 -1.26 -4.86 117.16 125.25 1qf7 n TYR 504 Ca -0.14 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.62 1qf7 n TYR 504 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.51 1qf7 n TYR 504 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1qf7 n TYR 505 N -0.53 0.00 0.07 -0.72 4.01 -1.26 -4.58 117.16 114.14 1qf7 n TYR 505 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 1qf7 n TYR 505 Cb 0.01 -0.05 0.06 0.00 -0.31 0.00 0.00 39.34 39.05 1qf7 n TYR 505 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1qf7 h SER 506 N 0.00 0.36 -0.14 7.72 4.64 -1.89 -1.76 113.55 122.49 1qf7 h SER 506 Ca 0.00 -0.23 -0.13 0.00 -0.47 0.00 0.00 61.79 60.96 1qf7 h SER 506 Cb 0.12 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1qf7 h SER 506 CO 0.00 0.94 -0.42 0.45 -0.87 0.00 0.00 176.83 176.93 1qf7 h HIS 507 N 0.22 0.69 -0.71 4.77 3.86 -1.91 0.15 115.15 122.22 1qf7 h HIS 507 Ca -0.02 -0.28 0.12 0.00 -1.16 0.00 0.00 60.37 59.04 1qf7 h HIS 507 Cb 1.24 -0.12 -0.09 0.00 1.06 0.00 0.00 27.41 29.50 1qf7 h HIS 507 CO 0.03 1.03 0.28 -1.35 0.86 0.00 0.00 177.93 178.79 1qf7 h PRO 508 N 0.15 0.44 -0.49 2.45 0.11 -1.81 0.15 132.00 133.00 1qf7 h PRO 508 Ca -0.01 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 1qf7 h PRO 508 Cb 1.04 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1qf7 h PRO 508 CO 0.09 0.29 -0.08 -0.09 -0.21 0.00 0.00 178.00 177.99 1qf7 h ARG 509 N 0.45 0.92 -0.97 1.05 2.43 -0.99 -0.35 114.38 116.90 1qf7 h ARG 509 Ca 0.37 -0.33 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1qf7 h ARG 509 Cb 0.52 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 1qf7 h ARG 509 CO -0.36 0.99 0.64 1.25 -1.51 0.00 0.00 179.97 180.98 1qf7 h LEU 510 N 0.77 1.09 0.15 3.80 5.85 -0.18 -1.29 115.31 125.50 1qf7 h LEU 510 Ca 0.13 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1qf7 h LEU 510 Cb 0.63 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1qf7 h LEU 510 CO 0.04 0.77 -0.07 0.15 -0.34 0.00 0.00 178.44 178.99 1qf7 h PHE 511 N 1.28 -0.19 -0.72 1.25 3.57 -0.31 -2.67 116.94 119.16 1qf7 h PHE 511 Ca 0.37 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.97 1qf7 h PHE 511 Cb -0.08 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.64 1qf7 h PHE 511 CO -0.00 0.08 0.35 2.35 -2.23 0.00 0.00 178.31 178.85 1qf7 h TRP 512 N -0.44 0.62 0.00 0.41 2.91 -0.71 -2.81 115.95 115.92 1qf7 h TRP 512 Ca -0.02 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.01 1qf7 h TRP 512 Cb 0.35 -0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 28.83 1qf7 h TRP 512 CO 0.01 0.20 -0.10 -0.07 -1.03 0.00 0.00 178.44 177.45 1qf7 h LEU 513 N 0.57 0.00 -0.02 0.65 3.38 -1.18 -2.91 115.31 115.81 1qf7 h LEU 513 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1qf7 h LEU 513 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1qf7 h LEU 513 CO -0.29 0.10 -0.18 -1.20 0.09 0.00 0.00 178.44 176.96 1qf7 n SER 514 N -3.25 0.21 -4.79 -0.43 7.64 -1.01 -4.87 113.62 107.12 1qf7 n SER 514 Ca 0.00 0.13 -0.35 0.00 1.01 0.00 0.00 58.87 59.66 1qf7 n SER 514 Cb 0.35 -0.20 -0.06 0.00 -1.01 0.00 0.00 64.21 63.29 1qf7 n SER 514 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1qf7 s GLN 515 N -2.94 4.34 0.83 1.43 -1.52 -1.10 -4.31 119.66 116.39 1qf7 s GLN 515 Ca 0.15 1.30 -0.11 0.00 -1.95 0.00 0.00 55.36 54.75 1qf7 s GLN 515 Cb 0.19 -2.51 0.09 0.00 -0.22 0.00 0.00 33.01 30.56 1qf7 s GLN 515 CO 0.58 0.05 1.10 0.95 -0.25 0.00 0.00 175.29 177.72 1qf7 s THR 516 N -1.83 2.99 0.27 -0.19 -4.23 -1.26 -4.74 115.64 106.65 1qf7 s THR 516 Ca 0.56 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 1qf7 s THR 516 Cb -0.16 -2.74 0.25 0.00 1.34 0.00 0.00 72.50 71.19 1qf7 s THR 516 CO 0.21 -0.42 1.78 -0.65 -0.54 0.00 0.00 174.62 175.00 1qf7 h PRO 517 N -1.35 0.69 -0.06 3.99 0.11 -1.97 0.12 132.00 133.52 1qf7 h PRO 517 Ca -0.45 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 1qf7 h PRO 517 Cb 1.25 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1qf7 h PRO 517 CO 0.51 0.45 -0.69 0.27 -0.21 0.00 0.00 178.00 178.33 1qf7 h PHE 518 N 0.71 0.39 -0.44 0.65 -5.15 -1.97 -1.65 116.94 109.47 1qf7 h PHE 518 Ca 0.48 -0.17 -0.07 0.00 -0.20 0.00 0.00 57.97 58.01 1qf7 h PHE 518 Cb 0.65 -0.06 -0.02 0.00 0.22 0.00 0.00 35.95 36.74 1qf7 h PHE 518 CO -0.06 0.89 -0.03 0.93 -2.00 0.00 0.00 178.31 178.04 1qf7 h GLU 519 N 0.20 0.73 -0.08 6.09 5.08 -1.76 -1.50 114.58 123.35 1qf7 h GLU 519 Ca -0.02 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 1qf7 h GLU 519 Cb 1.24 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1qf7 h GLU 519 CO 0.11 0.76 -0.40 1.96 -1.00 0.00 0.00 179.01 180.44 1qf7 h GLN 520 N 0.68 0.17 -0.40 2.33 4.20 -0.74 -1.30 115.11 120.05 1qf7 h GLN 520 Ca 0.13 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 1qf7 h GLN 520 Cb 0.46 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1qf7 h GLN 520 CO 0.02 0.54 -0.13 -0.09 -0.67 0.00 0.00 178.83 178.51 1qf7 h ARG 521 N 0.14 0.79 -0.53 1.46 9.65 -0.70 -0.34 114.38 124.86 1qf7 h ARG 521 Ca 0.01 -0.32 -0.08 0.00 -1.10 0.00 0.00 59.98 58.50 1qf7 h ARG 521 Cb 0.77 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.29 1qf7 h ARG 521 CO 0.06 0.93 0.01 0.45 2.80 0.00 0.00 179.97 184.22 1qf7 h HIS 522 N 0.60 0.95 -0.25 2.20 3.86 -0.99 0.76 115.15 122.28 1qf7 h HIS 522 Ca 0.10 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1qf7 h HIS 522 Cb 0.66 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 1qf7 h HIS 522 CO 0.05 0.86 0.16 0.82 0.86 0.00 0.00 177.93 180.69 1qf7 h ILE 523 N 0.83 1.06 -0.37 2.45 2.04 -0.90 0.74 117.51 123.35 1qf7 h ILE 523 Ca 0.16 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1qf7 h ILE 523 Cb 0.48 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1qf7 h ILE 523 CO 0.02 0.06 0.17 0.58 0.00 0.00 0.00 178.15 178.99 1qf7 h VAL 524 N 0.33 0.96 -0.15 1.67 2.07 -0.59 -1.82 116.25 118.72 1qf7 h VAL 524 Ca 0.09 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1qf7 h VAL 524 Cb -0.04 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1qf7 h VAL 524 CO -0.02 0.07 -0.17 0.44 0.02 0.00 0.00 177.57 177.90 1qf7 h ASP 525 N 0.36 0.24 0.31 0.57 3.32 -0.51 -0.47 116.42 120.23 1qf7 h ASP 525 Ca 0.16 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1qf7 h ASP 525 Cb 0.08 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1qf7 h ASP 525 CO -0.12 0.44 -0.15 1.23 -1.72 0.00 0.00 179.24 178.92 1qf7 h GLY 526 N 0.83 -0.43 0.91 2.75 0.00 -0.07 -1.05 103.07 106.01 1qf7 h GLY 526 Ca 0.04 0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.56 1qf7 h GLY 526 CO 0.03 -0.16 0.48 0.74 0.00 0.00 0.00 176.54 177.63 1qf7 h PHE 527 N -0.64 0.90 -0.53 5.60 0.04 -1.18 -0.66 116.94 120.46 1qf7 h PHE 527 Ca -0.04 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 1qf7 h PHE 527 Cb 0.46 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 1qf7 h PHE 527 CO 0.00 0.53 0.17 0.77 -0.60 0.00 0.00 178.31 179.18 1qf7 h SER 528 N 0.95 0.78 -0.30 2.17 0.02 -1.01 0.54 113.55 116.69 1qf7 h SER 528 Ca 0.29 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1qf7 h SER 528 Cb -0.02 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1qf7 h SER 528 CO -0.10 0.78 0.02 0.15 -1.14 0.00 0.00 176.83 176.54 1qf7 h PHE 529 N 0.73 0.56 -0.38 3.45 3.57 -0.96 -0.79 116.94 123.12 1qf7 h PHE 529 Ca 0.17 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 1qf7 h PHE 529 Cb 0.28 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1qf7 h PHE 529 CO 0.02 0.64 -0.14 0.93 -2.23 0.00 0.00 178.31 177.52 1qf7 h GLU 530 N 0.32 0.77 0.00 1.11 5.08 -0.96 -2.41 114.58 118.49 1qf7 h GLU 530 Ca 0.09 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 1qf7 h GLU 530 Cb 0.40 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1qf7 h GLU 530 CO 0.01 0.93 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.58 1qf7 h LEU 531 N 0.57 0.00 -2.40 1.33 4.07 -0.89 -0.37 115.31 117.62 1qf7 h LEU 531 Ca 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1qf7 h LEU 531 Cb 0.68 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.42 1qf7 h LEU 531 CO 0.05 0.30 -0.03 0.28 -1.08 0.00 0.00 178.44 177.96 1qf7 h SER 532 N 0.00 0.00 -0.03 -0.43 0.02 -0.61 -0.45 113.55 112.05 1qf7 h SER 532 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1qf7 h SER 532 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1qf7 h SER 532 CO 0.04 0.03 0.00 0.29 -1.14 0.00 0.00 176.83 176.05 1qf7 n LYS 533 N -3.71 1.69 -2.66 3.45 4.76 -0.15 -4.79 118.16 116.74 1qf7 n LYS 533 Ca -0.03 -1.00 -0.43 0.00 -2.87 0.00 0.00 58.31 53.98 1qf7 n LYS 533 Cb 0.12 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.81 1qf7 n LYS 533 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1qf7 s VAL 534 N -1.98 4.41 0.25 -0.18 1.01 -0.18 -4.52 120.40 119.21 1qf7 s VAL 534 Ca 0.37 1.42 -0.04 0.00 0.00 0.00 0.00 61.98 63.73 1qf7 s VAL 534 Cb 0.21 -4.47 0.13 0.00 0.00 0.00 0.00 36.38 32.25 1qf7 s VAL 534 CO 0.33 -0.69 1.77 0.58 0.00 0.00 0.00 175.10 177.09 1qf7 h VAL 535 N 5.94 1.24 -3.62 2.92 2.07 -1.86 -3.42 116.25 119.52 1qf7 h VAL 535 Ca -0.22 -0.92 -0.60 0.00 0.82 0.00 0.00 66.70 65.78 1qf7 h VAL 535 Cb 1.06 0.68 -0.11 0.00 -1.52 0.00 0.00 31.29 31.40 1qf7 h VAL 535 CO 1.06 0.34 0.54 -0.13 0.02 0.00 0.00 177.57 179.40 1qf7 s ARG 536 N -5.19 3.59 0.52 1.57 0.52 -1.26 -4.95 118.95 113.74 1qf7 s ARG 536 Ca -0.10 0.21 0.16 0.00 -0.52 0.00 0.00 55.73 55.47 1qf7 s ARG 536 Cb 0.15 -3.90 1.25 0.00 0.52 0.00 0.00 34.95 32.97 1qf7 s ARG 536 CO 0.82 -1.14 2.15 -1.35 0.02 0.00 0.00 175.30 175.80 1qf7 h PRO 537 N 8.93 0.02 -0.04 3.54 0.11 -1.98 -2.16 132.00 140.42 1qf7 h PRO 537 Ca -0.24 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.82 1qf7 h PRO 537 Cb 1.08 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1qf7 h PRO 537 CO 1.00 0.02 -0.22 0.10 -0.21 0.00 0.00 178.00 178.69 1qf7 h TYR 538 N 0.02 0.07 -0.52 0.65 -0.00 -1.97 -0.60 116.97 114.62 1qf7 h TYR 538 Ca 0.01 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.73 58.65 1qf7 h TYR 538 Cb -0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 36.73 36.69 1qf7 h TYR 538 CO 0.00 0.28 0.04 0.82 -0.00 0.00 0.00 178.16 179.30 1qf7 h ILE 539 N 0.06 1.26 -0.61 -0.90 2.04 -1.80 0.14 117.51 117.70 1qf7 h ILE 539 Ca 0.01 -1.03 -0.06 0.00 1.00 0.00 0.00 64.86 64.78 1qf7 h ILE 539 Cb 0.43 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1qf7 h ILE 539 CO 0.03 0.37 0.15 0.03 0.00 0.00 0.00 178.15 178.73 1qf7 h ARG 540 N 0.77 0.98 -0.62 2.37 3.08 -1.16 -1.28 114.38 118.52 1qf7 h ARG 540 Ca 0.15 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1qf7 h ARG 540 Cb 0.47 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1qf7 h ARG 540 CO 0.02 0.89 0.34 0.93 -1.07 0.00 0.00 179.97 181.08 1qf7 h GLU 541 N 0.89 0.86 -0.55 0.04 5.08 -1.12 0.05 114.58 119.84 1qf7 h GLU 541 Ca 0.19 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1qf7 h GLU 541 Cb 0.35 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1qf7 h GLU 541 CO 0.00 0.66 0.16 0.00 -1.00 0.00 0.00 179.01 178.83 1qf7 h ARG 542 N 0.84 0.83 -0.26 2.33 -0.00 -0.38 -0.50 114.38 117.24 1qf7 h ARG 542 Ca 0.22 -0.16 -0.09 0.00 -0.50 0.00 0.00 59.98 59.45 1qf7 h ARG 542 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 29.97 29.88 1qf7 h ARG 542 CO -0.03 0.73 -0.19 0.28 0.00 0.00 0.00 179.97 180.75 1qf7 h VAL 543 N 0.81 1.31 -0.97 2.04 2.07 -0.83 -2.67 116.25 118.00 1qf7 h VAL 543 Ca 0.18 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.39 1qf7 h VAL 543 Cb 0.25 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 1qf7 h VAL 543 CO -0.01 0.42 0.63 0.58 0.02 0.00 0.00 177.57 179.21 1qf7 h VAL 544 N 0.31 1.25 -0.92 2.57 2.07 -0.63 -0.73 116.25 120.17 1qf7 h VAL 544 Ca 0.05 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.15 1qf7 h VAL 544 Cb 0.73 -0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 1qf7 h VAL 544 CO 0.05 0.25 0.60 -0.78 0.02 0.00 0.00 177.57 177.71 1qf7 h ASP 545 N 1.32 0.97 -0.35 0.57 3.58 -0.88 -1.69 116.42 119.93 1qf7 h ASP 545 Ca 0.35 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.72 1qf7 h ASP 545 Cb -0.14 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.68 1qf7 h ASP 545 CO -0.08 0.64 -0.07 1.56 -2.88 0.00 0.00 179.24 178.42 1qf7 h GLN 546 N 1.11 0.77 -0.43 0.28 1.08 -1.03 -2.45 115.11 114.43 1qf7 h GLN 546 Ca 0.38 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 57.31 1qf7 h GLN 546 Cb 0.11 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 1qf7 h GLN 546 CO -0.13 0.82 0.10 -0.07 -0.95 0.00 0.00 178.83 178.60 1qf7 h LEU 547 N 0.70 0.59 -2.25 1.46 3.38 -0.29 -1.30 115.31 117.61 1qf7 h LEU 547 Ca 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1qf7 h LEU 547 Cb 0.53 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1qf7 h LEU 547 CO 0.03 0.59 0.00 0.00 0.09 0.00 0.00 178.44 179.15 1qf7 h ALA 548 N 1.49 1.00 -0.00 1.53 0.00 -0.87 -0.61 119.26 121.80 1qf7 h ALA 548 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1qf7 h ALA 548 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1qf7 h ALA 548 CO -0.00 0.00 -0.29 0.72 0.00 0.00 0.00 179.25 179.68 1qf7 n HIS 549 N -2.95 0.00 -0.07 0.00 8.25 -0.49 -4.28 115.22 115.69 1qf7 n HIS 549 Ca -0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.37 1qf7 n HIS 549 Cb 0.14 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 30.94 1qf7 n HIS 549 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1qf7 n ILE 550 N -1.34 1.45 -3.68 1.59 5.41 -0.35 -4.20 119.36 118.25 1qf7 n ILE 550 Ca 0.08 0.18 -0.11 0.00 1.00 0.00 0.00 62.75 63.91 1qf7 n ILE 550 Cb 0.33 -2.21 -0.09 0.00 -0.71 0.00 0.00 39.64 36.96 1qf7 n ILE 550 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1qf7 s ASP 551 N -5.94 -0.66 0.30 4.38 2.15 -0.55 -4.62 116.67 111.73 1qf7 s ASP 551 Ca -0.24 1.14 0.10 0.00 0.43 0.00 0.00 52.55 53.98 1qf7 s ASP 551 Cb 0.03 1.06 0.45 0.00 -0.30 0.00 0.00 42.92 44.16 1qf7 s ASP 551 CO 0.35 -0.21 1.67 0.25 -0.17 0.00 0.00 175.17 177.07 1qf7 h LEU 552 N 6.44 0.04 -0.08 -1.34 7.12 -1.81 -1.70 115.31 123.98 1qf7 h LEU 552 Ca -0.32 -0.02 -0.13 0.00 0.13 0.00 0.00 57.88 57.54 1qf7 h LEU 552 Cb 1.19 -0.01 0.01 0.00 -0.53 0.00 0.00 40.66 41.32 1qf7 h LEU 552 CO 0.21 0.57 -0.47 0.74 -0.13 0.00 0.00 178.44 179.37 1qf7 h THR 553 N 0.03 1.39 -0.20 1.05 2.02 -1.97 -0.55 112.91 114.69 1qf7 h THR 553 Ca -0.00 -1.84 -0.01 0.00 0.77 0.00 0.00 66.41 65.33 1qf7 h THR 553 Cb 0.96 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.65 1qf7 h THR 553 CO 0.07 0.54 0.10 0.25 0.37 0.00 0.00 175.52 176.86 1qf7 h LEU 554 N 0.01 0.26 -0.70 2.58 5.85 -1.90 -2.11 115.31 119.30 1qf7 h LEU 554 Ca -0.04 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1qf7 h LEU 554 Cb 1.12 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1qf7 h LEU 554 CO 0.10 0.29 0.38 0.00 -0.34 0.00 0.00 178.44 178.86 1qf7 h ALA 555 N 0.98 0.89 -0.47 1.25 0.00 -1.23 -2.14 119.26 118.54 1qf7 h ALA 555 Ca 0.07 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1qf7 h ALA 555 Cb 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1qf7 h ALA 555 CO -0.01 0.41 -0.09 1.96 0.00 0.00 0.00 179.25 181.51 1qf7 h GLN 556 N 0.95 0.90 -0.62 0.00 4.20 -1.05 -0.30 115.11 119.18 1qf7 h GLN 556 Ca 0.24 -0.34 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 1qf7 h GLN 556 Cb 0.04 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1qf7 h GLN 556 CO -0.04 0.98 0.06 0.00 -0.67 0.00 0.00 178.83 179.16 1qf7 h ALA 557 N 0.89 0.92 -0.22 3.87 0.00 -1.25 0.46 119.26 123.93 1qf7 h ALA 557 Ca 0.12 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1qf7 h ALA 557 Cb 0.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1qf7 h ALA 557 CO 0.04 0.66 -0.14 0.28 0.00 0.00 0.00 179.25 180.09 1qf7 h VAL 558 N 0.98 1.31 -0.90 0.00 2.07 -1.30 -2.50 116.25 115.90 1qf7 h VAL 558 Ca 0.19 -1.24 0.07 0.00 0.82 0.00 0.00 66.70 66.54 1qf7 h VAL 558 Cb 0.48 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 1qf7 h VAL 558 CO 0.02 0.38 0.58 0.00 0.02 0.00 0.00 177.57 178.57 1qf7 h ALA 559 N 0.69 1.55 -0.25 1.67 0.00 -0.99 -1.49 119.26 120.44 1qf7 h ALA 559 Ca 0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1qf7 h ALA 559 Cb 0.66 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1qf7 h ALA 559 CO 0.04 0.30 -0.36 -0.22 0.00 0.00 0.00 179.25 179.00 1qf7 h LYS 560 N 0.98 0.56 0.00 0.00 3.64 -0.76 0.25 116.57 121.25 1qf7 h LYS 560 Ca 0.40 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1qf7 h LYS 560 Cb 0.26 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1qf7 h LYS 560 CO -0.16 0.85 0.00 -0.91 -2.27 0.00 0.00 179.45 176.96 1qf7 h ASN 561 N 0.47 0.00 -0.03 4.20 2.35 -0.84 -2.56 115.58 119.18 1qf7 h ASN 561 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1qf7 h ASN 561 Cb 0.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.22 1qf7 h ASN 561 CO 0.07 0.00 -0.01 0.18 -1.65 0.00 0.00 177.43 176.02 1qf7 n LEU 562 N -2.62 2.91 -2.17 1.61 4.77 -0.70 -4.95 117.00 115.85 1qf7 n LEU 562 Ca 0.01 -0.99 -0.15 0.00 -0.03 0.00 0.00 56.01 54.85 1qf7 n LEU 562 Cb 0.25 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1qf7 n LEU 562 CO 0.23 0.49 0.04 0.61 -1.33 0.00 0.00 177.39 177.42 1qf7 n GLY 563 N 1.31 -0.09 3.48 -0.72 0.00 -0.17 -5.01 105.19 103.99 1qf7 n GLY 563 Ca 0.13 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1qf7 n GLY 563 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qf7 s ILE 564 N -3.01 3.00 -0.18 -0.61 1.01 0.71 -5.01 121.20 117.09 1qf7 s ILE 564 Ca 0.24 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.86 1qf7 s ILE 564 Cb -0.11 -2.25 -0.00 0.00 0.01 0.00 0.00 42.46 40.11 1qf7 s ILE 564 CO 0.30 0.40 -0.11 -0.70 0.00 0.00 0.00 174.94 174.83 1qf7 s GLU 565 N -1.29 3.27 0.38 2.79 2.12 -1.26 -4.01 118.70 120.69 1qf7 s GLU 565 Ca 0.14 -0.70 -0.27 0.00 0.36 0.00 0.00 54.97 54.50 1qf7 s GLU 565 Cb -0.11 -2.78 -0.09 0.00 0.26 0.00 0.00 34.13 31.42 1qf7 s GLU 565 CO 0.05 -0.08 1.29 -0.51 -0.54 0.00 0.00 175.26 175.46 1qf7 s LEU 566 N 1.10 4.29 0.91 2.70 1.43 -1.26 -5.05 118.68 122.80 1qf7 s LEU 566 Ca 0.00 2.63 -0.12 0.00 -1.03 0.00 0.00 54.13 55.61 1qf7 s LEU 566 Cb -0.14 -3.82 0.19 0.00 0.03 0.00 0.00 46.19 42.44 1qf7 s LEU 566 CO -0.03 -0.71 1.25 0.42 0.23 0.00 0.00 176.35 177.51 1qf7 s THR 567 N -1.23 2.02 0.17 5.49 -4.23 -1.26 -4.87 115.64 111.72 1qf7 s THR 567 Ca 0.54 -0.16 -0.10 0.00 -1.18 0.00 0.00 61.69 60.79 1qf7 s THR 567 Cb -0.38 -2.87 0.03 0.00 1.34 0.00 0.00 72.50 70.63 1qf7 s THR 567 CO 0.49 0.00 1.60 0.44 -0.54 0.00 0.00 174.62 176.61 1qf7 h ASP 568 N -1.38 1.01 -0.81 3.99 3.32 -1.98 -0.54 116.42 120.02 1qf7 h ASP 568 Ca -0.42 -0.34 0.01 0.00 0.02 0.00 0.00 57.03 56.30 1qf7 h ASP 568 Cb 1.24 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 1qf7 h ASP 568 CO 0.37 1.11 0.53 0.44 -1.72 0.00 0.00 179.24 179.97 1qf7 h ASP 569 N 0.89 0.93 -0.18 6.45 5.19 -1.97 -1.92 116.42 125.79 1qf7 h ASP 569 Ca 0.14 -0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.41 1qf7 h ASP 569 Cb 0.64 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1qf7 h ASP 569 CO 0.04 0.67 -0.28 1.56 -3.12 0.00 0.00 179.24 178.11 1qf7 h GLN 570 N 1.09 0.67 0.00 3.56 4.20 -1.76 -2.21 115.11 120.66 1qf7 h GLN 570 Ca 0.30 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1qf7 h GLN 570 Cb -0.13 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 1qf7 h GLN 570 CO -0.06 0.87 -0.15 -0.07 -0.67 0.00 0.00 178.83 178.75 1qf7 h LEU 571 N 0.57 0.00 -1.89 1.46 4.07 -0.67 -2.83 115.31 116.02 1qf7 h LEU 571 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1qf7 h LEU 571 Cb 0.77 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.51 1qf7 h LEU 571 CO 0.06 0.15 0.00 0.59 -1.08 0.00 0.00 178.44 178.16 1qf7 n ASN 572 N -3.55 2.84 -4.70 -0.43 5.03 -0.76 -4.94 115.26 108.75 1qf7 n ASN 572 Ca -0.01 -1.90 -0.42 0.00 0.87 0.00 0.00 54.58 53.12 1qf7 n ASN 572 Cb 0.30 -0.16 -0.03 0.00 -1.02 0.00 0.00 39.78 38.86 1qf7 n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1qf7 s ILE 573 N -1.67 2.69 0.17 2.41 1.01 -1.07 -4.93 121.20 119.80 1qf7 s ILE 573 Ca 0.35 0.35 -0.31 0.00 0.00 0.00 0.00 60.65 61.05 1qf7 s ILE 573 Cb 0.21 -3.22 -0.09 0.00 0.01 0.00 0.00 42.46 39.37 1qf7 s ILE 573 CO 0.30 0.01 1.42 -0.89 0.00 0.00 0.00 174.94 175.78 1qf7 s THR 574 N 1.93 3.02 0.71 2.92 2.01 -1.26 -4.97 115.64 120.00 1qf7 s THR 574 Ca 0.74 0.78 -0.15 0.00 0.31 0.00 0.00 61.69 63.36 1qf7 s THR 574 Cb -0.43 -3.50 0.03 0.00 0.01 0.00 0.00 72.50 68.61 1qf7 s THR 574 CO 0.32 0.08 1.18 -2.84 -0.69 0.00 0.00 174.62 172.68 1qf7 s PRO 575 N 0.57 2.35 0.86 4.92 0.02 -1.26 -4.95 135.00 137.52 1qf7 s PRO 575 Ca 0.63 1.65 -0.12 0.00 0.02 0.00 0.00 61.00 63.19 1qf7 s PRO 575 Cb -0.39 -1.87 0.11 0.00 0.02 0.00 0.00 34.50 32.37 1qf7 s PRO 575 CO 0.35 -1.65 1.10 -1.25 -0.33 0.00 0.00 177.00 175.21 1qf7 s PRO 576 N -3.94 1.53 0.94 5.54 0.04 -1.26 -5.01 135.00 132.83 1qf7 s PRO 576 Ca 0.72 0.72 -0.12 0.00 0.04 0.00 0.00 61.00 62.37 1qf7 s PRO 576 Cb -0.27 -1.85 0.16 0.00 0.04 0.00 0.00 34.50 32.58 1qf7 s PRO 576 CO 0.44 -2.03 1.09 -2.14 0.04 0.00 0.00 177.00 174.40 1qf7 s PRO 577 N -5.03 0.87 1.10 0.56 0.02 -1.26 -4.94 135.00 126.32 1qf7 s PRO 577 Ca 0.63 0.93 -0.15 0.00 0.02 0.00 0.00 61.00 62.42 1qf7 s PRO 577 Cb -0.17 -1.76 0.24 0.00 0.02 0.00 0.00 34.50 32.84 1qf7 s PRO 577 CO 0.56 -2.54 1.09 0.16 -0.33 0.00 0.00 177.00 175.94 1qf7 s ASP 578 N -3.17 1.73 -0.36 2.53 1.47 -1.26 -4.73 116.67 112.88 1qf7 s ASP 578 Ca 0.65 0.99 -0.09 0.00 1.18 0.00 0.00 52.55 55.28 1qf7 s ASP 578 Cb -0.20 -1.51 0.04 0.00 -0.34 0.00 0.00 42.92 40.91 1qf7 s ASP 578 CO 0.58 -3.66 0.17 -0.69 0.68 0.00 0.00 175.17 172.25 1qf7 s VAL 579 N -2.92 4.22 -1.63 2.11 1.01 -1.13 -4.43 120.40 117.63 1qf7 s VAL 579 Ca 0.68 -1.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 1qf7 s VAL 579 Cb -0.16 -3.39 0.11 0.00 0.00 0.00 0.00 36.38 32.94 1qf7 s VAL 579 CO 0.58 -0.24 0.61 0.59 0.00 0.00 0.00 175.10 176.64 1qf7 n ASN 580 N 4.92 -2.08 0.00 3.32 4.13 -1.26 -0.90 115.26 123.39 1qf7 n ASN 580 Ca -0.12 -1.05 0.00 0.00 1.68 0.00 0.00 54.58 55.09 1qf7 n ASN 580 Cb 0.45 -2.65 0.00 0.00 -1.54 0.00 0.00 39.78 36.04 1qf7 n ASN 580 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qf7 n GLY 581 N -1.63 1.34 3.76 7.41 0.00 -1.26 -5.02 105.19 109.79 1qf7 n GLY 581 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1qf7 n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qf7 s LEU 582 N 0.00 4.49 -0.03 0.99 1.43 -0.07 -4.93 118.68 120.56 1qf7 s LEU 582 Ca 0.00 1.49 0.08 0.00 -1.03 0.00 0.00 54.13 54.67 1qf7 s LEU 582 Cb 0.00 -3.23 0.23 0.00 0.03 0.00 0.00 46.19 43.22 1qf7 s LEU 582 CO 0.00 0.09 1.18 0.29 0.23 0.00 0.00 176.35 178.14 1qf7 n LYS 583 N 2.40 2.80 0.00 1.70 5.02 -1.26 -2.83 118.16 125.98 1qf7 n LYS 583 Ca -0.04 -2.00 0.00 0.00 -2.02 0.00 0.00 58.31 54.25 1qf7 n LYS 583 Cb 0.50 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 1qf7 n LYS 583 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1qf7 n LYS 584 N -0.11 0.00 -3.33 1.97 2.85 -1.26 -4.72 118.16 113.56 1qf7 n LYS 584 Ca 0.09 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.27 1qf7 n LYS 584 Cb 0.44 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.75 1qf7 n LYS 584 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1qf7 s ASP 585 N 0.00 0.15 0.24 -5.58 -1.08 -1.26 -5.00 116.67 104.15 1qf7 s ASP 585 Ca 0.00 0.19 0.22 0.00 -0.52 0.00 0.00 52.55 52.44 1qf7 s ASP 585 Cb 0.00 1.18 0.96 0.00 -1.46 0.00 0.00 42.92 43.61 1qf7 s ASP 585 CO 0.00 -0.30 1.66 -0.81 0.52 0.00 0.00 175.17 176.24 1qf7 n PRO 586 N 5.37 0.16 0.01 4.34 -0.04 -1.26 -1.57 135.00 142.01 1qf7 n PRO 586 Ca -0.03 0.45 0.07 0.00 -0.04 0.00 0.00 63.50 63.96 1qf7 n PRO 586 Cb 0.50 -1.85 0.31 0.00 -0.04 0.00 0.00 33.50 32.43 1qf7 n PRO 586 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1qf7 n SER 587 N -2.16 0.07 0.01 3.54 3.41 -1.26 -2.44 113.62 114.79 1qf7 n SER 587 Ca 0.01 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 1qf7 n SER 587 Cb 0.18 -0.53 0.34 0.00 -0.26 0.00 0.00 64.21 63.94 1qf7 n SER 587 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qf7 n LEU 588 N -1.58 0.42 -4.88 1.04 4.77 -0.61 -4.86 117.00 111.30 1qf7 n LEU 588 Ca 0.03 0.19 -0.32 0.00 -0.03 0.00 0.00 56.01 55.88 1qf7 n LEU 588 Cb 0.17 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 1qf7 n LEU 588 CO 0.13 0.05 0.16 -0.55 -1.33 0.00 0.00 177.39 175.85 1qf7 s SER 589 N -3.26 6.60 0.15 -1.43 0.15 -1.02 -4.91 113.70 109.98 1qf7 s SER 589 Ca 0.11 0.83 0.01 0.00 0.70 0.00 0.00 55.95 57.60 1qf7 s SER 589 Cb 0.17 -2.19 -0.05 0.00 -1.71 0.00 0.00 66.02 62.24 1qf7 s SER 589 CO 0.65 -0.02 1.35 -0.07 1.20 0.00 0.00 173.24 176.35 1qf7 h LEU 590 N 2.72 0.29 0.00 3.45 3.38 -1.89 -3.41 115.31 119.85 1qf7 h LEU 590 Ca -0.47 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1qf7 h LEU 590 Cb 1.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1qf7 h LEU 590 CO 0.70 1.06 -0.25 -1.22 0.09 0.00 0.00 178.44 178.82 1qf7 n TYR 591 N -3.65 0.00 -0.33 1.13 4.01 -1.26 -4.74 117.16 112.32 1qf7 n TYR 591 Ca -0.04 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.79 1qf7 n TYR 591 Cb 0.83 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 40.13 1qf7 n TYR 591 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qf7 h ALA 592 N 0.00 1.48 -3.26 -0.72 0.00 -1.85 -3.32 119.26 111.59 1qf7 h ALA 592 Ca 0.00 0.07 -0.69 0.00 0.00 0.00 0.00 54.91 54.29 1qf7 h ALA 592 Cb 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 17.79 17.40 1qf7 h ALA 592 CO 0.00 0.01 -0.64 0.42 0.00 0.00 0.00 179.25 179.04 1qf7 s ILE 593 N -5.93 3.51 0.15 0.00 1.01 -1.26 -5.06 121.20 113.61 1qf7 s ILE 593 Ca -0.12 -1.18 -0.34 0.00 0.00 0.00 0.00 60.65 59.01 1qf7 s ILE 593 Cb 0.23 -2.97 -0.15 0.00 0.01 0.00 0.00 42.46 39.57 1qf7 s ILE 593 CO 0.80 -0.12 1.40 -0.81 0.00 0.00 0.00 174.94 176.21 1qf7 n PRO 594 N 4.75 1.61 -1.22 2.79 -0.04 -1.25 -4.86 135.00 136.78 1qf7 n PRO 594 Ca -0.13 0.58 -0.01 0.00 -0.04 0.00 0.00 63.50 63.90 1qf7 n PRO 594 Cb 0.45 -2.24 -0.02 0.00 -0.04 0.00 0.00 33.50 31.64 1qf7 n PRO 594 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1qf7 n ASP 595 N 2.69 0.03 -4.77 3.54 5.75 -1.26 -5.13 116.55 117.40 1qf7 n ASP 595 Ca 0.16 -1.97 -0.41 0.00 -0.01 0.00 0.00 54.79 52.56 1qf7 n ASP 595 Cb 0.25 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.32 1qf7 n ASP 595 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1qf7 s GLY 596 N -1.46 2.90 -0.11 6.12 0.00 -1.26 -3.97 107.32 109.55 1qf7 s GLY 596 Ca 0.17 1.48 -0.04 0.00 0.00 0.00 0.00 44.72 46.33 1qf7 s GLY 596 CO -0.08 2.18 0.08 -0.35 0.00 0.00 0.00 173.10 174.93 1qf7 s ASP 597 N -0.19 1.71 0.27 1.64 -1.08 -1.25 -4.96 116.67 112.80 1qf7 s ASP 597 Ca 0.52 -0.25 0.25 0.00 -0.52 0.00 0.00 52.55 52.56 1qf7 s ASP 597 Cb -0.45 -0.16 0.64 0.00 -1.46 0.00 0.00 42.92 41.49 1qf7 s ASP 597 CO 0.59 -0.30 1.70 -0.37 0.52 0.00 0.00 175.17 177.31 1qf7 h VAL 598 N 6.42 0.00 -2.74 1.11 -1.51 -1.88 -3.45 116.25 114.20 1qf7 h VAL 598 Ca -0.14 -0.64 -0.53 0.00 -1.23 0.00 0.00 66.70 64.17 1qf7 h VAL 598 Cb 1.14 1.61 0.04 0.00 -2.13 0.00 0.00 31.29 31.95 1qf7 h VAL 598 CO 0.22 0.00 0.95 -0.75 -1.23 0.00 0.00 177.57 176.76 1qf7 s LYS 599 N -3.14 4.18 0.00 5.19 2.20 -1.25 -1.48 119.74 125.44 1qf7 s LYS 599 Ca 0.09 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 58.13 1qf7 s LYS 599 Cb 0.10 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1qf7 s LYS 599 CO 0.63 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 1qf7 n GLY 600 N 3.89 0.78 3.79 5.54 0.00 -0.36 -4.98 105.19 113.86 1qf7 n GLY 600 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1qf7 n GLY 600 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qf7 s ARG 601 N -0.78 0.99 0.03 1.61 1.81 -0.55 -4.80 118.95 117.26 1qf7 s ARG 601 Ca 0.00 0.21 0.02 0.00 -1.72 0.00 0.00 55.73 54.24 1qf7 s ARG 601 Cb 0.00 -1.83 -0.02 0.00 -0.45 0.00 0.00 34.95 32.65 1qf7 s ARG 601 CO 0.00 -2.29 -0.08 0.08 -0.68 0.00 0.00 175.30 172.34 1qf7 s VAL 602 N -3.32 0.57 -0.08 3.52 1.01 -1.26 -1.08 120.40 119.75 1qf7 s VAL 602 Ca 0.65 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1qf7 s VAL 602 Cb -0.13 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1qf7 s VAL 602 CO 0.53 -0.24 -0.20 -0.69 0.00 0.00 0.00 175.10 174.51 1qf7 s VAL 603 N -1.05 1.70 0.08 2.92 1.01 0.65 -1.21 120.40 124.50 1qf7 s VAL 603 Ca -0.06 -0.81 -0.26 0.00 0.00 0.00 0.00 61.98 60.84 1qf7 s VAL 603 Cb -0.08 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.75 1qf7 s VAL 603 CO 0.00 0.48 0.81 0.00 0.00 0.00 0.00 175.10 176.40 1qf7 s ALA 604 N 0.41 3.36 -0.25 5.51 0.00 -0.52 -1.40 121.76 128.86 1qf7 s ALA 604 Ca -0.16 0.37 -0.00 0.00 0.00 0.00 0.00 51.96 52.17 1qf7 s ALA 604 Cb -0.17 -3.05 0.04 0.00 0.00 0.00 0.00 23.12 19.94 1qf7 s ALA 604 CO 0.06 0.09 -0.09 0.42 0.00 0.00 0.00 175.76 176.25 1qf7 s ILE 605 N -0.27 2.59 -0.59 0.00 1.01 0.61 -0.79 121.20 123.77 1qf7 s ILE 605 Ca 0.40 -1.22 -0.27 0.00 0.00 0.00 0.00 60.65 59.56 1qf7 s ILE 605 Cb -0.22 -2.36 0.04 0.00 0.01 0.00 0.00 42.46 39.92 1qf7 s ILE 605 CO 0.25 0.15 1.11 -0.76 0.00 0.00 0.00 174.94 175.69 1qf7 s LEU 606 N 1.25 3.68 0.73 2.97 1.02 -0.66 -1.16 118.68 126.51 1qf7 s LEU 606 Ca -0.02 -0.13 -0.11 0.00 0.02 0.00 0.00 54.13 53.89 1qf7 s LEU 606 Cb -0.17 -2.98 0.04 0.00 0.02 0.00 0.00 46.19 43.10 1qf7 s LEU 606 CO -0.05 -1.42 1.11 -0.76 0.02 0.00 0.00 176.35 175.24 1qf7 s LEU 607 N 4.65 2.79 0.22 1.79 1.43 0.40 -4.30 118.68 125.66 1qf7 s LEU 607 Ca 0.37 0.96 -0.00 0.00 -1.03 0.00 0.00 54.13 54.43 1qf7 s LEU 607 Cb -0.09 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1qf7 s LEU 607 CO 0.22 -1.52 0.11 0.54 0.23 0.00 0.00 176.35 175.93 1qf7 s ASN 608 N -4.44 0.57 0.00 2.29 2.20 -1.26 -4.82 114.94 109.48 1qf7 s ASN 608 Ca 0.59 -1.38 0.15 0.00 -0.94 0.00 0.00 52.86 51.28 1qf7 s ASN 608 Cb -0.11 0.29 0.75 0.00 -2.00 0.00 0.00 41.25 40.18 1qf7 s ASN 608 CO 0.50 -0.79 1.43 -0.90 -2.94 0.00 0.00 177.10 174.40 1qf7 n ASP 609 N -0.34 0.00 -3.03 3.54 5.68 -1.26 -3.44 116.55 117.70 1qf7 n ASP 609 Ca 0.01 0.13 -0.16 0.00 -0.50 0.00 0.00 54.79 54.27 1qf7 n ASP 609 Cb 0.66 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 1qf7 n ASP 609 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1qf7 n GLU 610 N -1.32 0.93 -1.76 0.11 4.07 -1.26 -4.21 120.64 117.21 1qf7 n GLU 610 Ca 0.07 -2.83 -0.41 0.00 -0.06 0.00 0.00 57.16 53.92 1qf7 n GLU 610 Cb 0.13 -1.44 0.01 0.00 -0.06 0.00 0.00 31.44 30.08 1qf7 n GLU 610 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1qf7 n VAL 611 N 0.55 2.31 -2.25 6.31 0.31 -1.22 -2.82 118.33 121.53 1qf7 n VAL 611 Ca 0.18 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.60 1qf7 n VAL 611 Cb 0.65 -1.89 -0.03 0.00 -0.91 0.00 0.00 33.84 31.66 1qf7 n VAL 611 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1qf7 s ARG 612 N -2.22 3.09 0.54 5.55 6.06 -0.68 -0.97 118.95 130.32 1qf7 s ARG 612 Ca 0.56 0.57 0.23 0.00 -2.50 0.00 0.00 55.73 54.60 1qf7 s ARG 612 Cb -0.47 -4.22 1.42 0.00 0.06 0.00 0.00 34.95 31.74 1qf7 s ARG 612 CO 0.61 -2.18 2.06 0.66 -2.50 0.00 0.00 175.30 173.95 1qf7 h SER 613 N 12.37 0.00 0.52 -2.12 4.64 -1.90 -1.82 113.55 125.24 1qf7 h SER 613 Ca -0.27 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.96 1qf7 h SER 613 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1qf7 h SER 613 CO 1.18 0.00 -0.42 0.00 -0.87 0.00 0.00 176.83 176.71 1qf7 h ALA 614 N 1.81 1.20 -0.05 5.18 0.00 -1.99 -1.62 119.26 123.79 1qf7 h ALA 614 Ca 0.15 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1qf7 h ALA 614 Cb 0.62 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1qf7 h ALA 614 CO -0.00 0.53 -0.41 -0.44 0.00 0.00 0.00 179.25 178.93 1qf7 h ASP 615 N 0.00 0.46 -0.50 0.00 3.32 -1.66 -2.95 116.42 115.08 1qf7 h ASP 615 Ca -0.00 -0.68 -0.04 0.00 0.02 0.00 0.00 57.03 56.33 1qf7 h ASP 615 Cb 0.80 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 1qf7 h ASP 615 CO 0.06 1.07 0.19 0.25 -1.72 0.00 0.00 179.24 179.08 1qf7 h LEU 616 N -0.12 0.74 -0.23 1.55 6.46 -1.38 -0.55 115.31 121.79 1qf7 h LEU 616 Ca -0.04 -0.11 -0.09 0.00 -0.12 0.00 0.00 57.88 57.53 1qf7 h LEU 616 Cb 1.08 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.82 1qf7 h LEU 616 CO 0.08 0.70 -0.21 0.25 -0.62 0.00 0.00 178.44 178.64 1qf7 h LEU 617 N 0.79 0.59 -0.64 2.25 5.85 -1.38 0.09 115.31 122.86 1qf7 h LEU 617 Ca 0.18 -0.47 0.06 0.00 0.84 0.00 0.00 57.88 58.50 1qf7 h LEU 617 Cb 0.21 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 1qf7 h LEU 617 CO -0.01 0.93 0.33 0.00 -0.34 0.00 0.00 178.44 179.35 1qf7 h ALA 618 N 0.67 0.85 0.28 1.25 0.00 -1.28 0.22 119.26 121.25 1qf7 h ALA 618 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1qf7 h ALA 618 Cb 0.76 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1qf7 h ALA 618 CO 0.05 -0.02 -0.14 0.82 0.00 0.00 0.00 179.25 179.97 1qf7 h ILE 619 N 0.61 0.76 -0.39 0.00 2.04 -0.92 -2.43 117.51 117.18 1qf7 h ILE 619 Ca 0.29 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 1qf7 h ILE 619 Cb 0.22 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1qf7 h ILE 619 CO -0.20 0.08 -0.02 -0.07 0.00 0.00 0.00 178.15 177.94 1qf7 h LEU 620 N -0.57 0.59 -0.27 1.44 3.38 -0.87 -0.81 115.31 118.21 1qf7 h LEU 620 Ca -0.04 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1qf7 h LEU 620 Cb 0.42 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1qf7 h LEU 620 CO 0.06 0.67 0.05 0.50 0.09 0.00 0.00 178.44 179.82 1qf7 h LYS 621 N 0.59 0.44 -0.34 1.13 3.64 -0.90 -0.66 116.57 120.46 1qf7 h LYS 621 Ca 0.12 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1qf7 h LYS 621 Cb 0.40 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1qf7 h LYS 621 CO 0.02 0.55 -0.10 0.00 -2.27 0.00 0.00 179.45 177.65 1qf7 h ALA 622 N 0.87 0.47 -0.66 5.00 0.00 -1.14 -2.12 119.26 121.67 1qf7 h ALA 622 Ca 0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1qf7 h ALA 622 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1qf7 h ALA 622 CO 0.00 0.33 0.28 -0.07 0.00 0.00 0.00 179.25 179.79 1qf7 h LEU 623 N 0.45 0.90 -0.89 0.00 3.38 -1.10 -2.61 115.31 115.44 1qf7 h LEU 623 Ca 0.08 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1qf7 h LEU 623 Cb 0.60 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1qf7 h LEU 623 CO 0.04 0.81 0.58 0.50 0.09 0.00 0.00 178.44 180.45 1qf7 h LYS 624 N 0.93 1.07 0.00 1.13 3.64 -1.04 -1.43 116.57 120.87 1qf7 h LYS 624 Ca 0.22 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1qf7 h LYS 624 Cb 0.18 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1qf7 h LYS 624 CO -0.02 0.71 -0.11 0.00 -2.27 0.00 0.00 179.45 177.76 1qf7 h ALA 625 N 1.38 1.55 -0.55 5.00 0.00 -1.00 -1.97 119.26 123.67 1qf7 h ALA 625 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1qf7 h ALA 625 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1qf7 h ALA 625 CO -0.13 0.13 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1qf7 n LYS 626 N -4.01 2.60 -1.55 0.00 4.76 -0.63 -4.97 118.16 114.36 1qf7 n LYS 626 Ca -0.02 -2.45 -0.07 0.00 -2.87 0.00 0.00 58.31 52.90 1qf7 n LYS 626 Cb 0.19 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 31.84 1qf7 n LYS 626 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qf7 n GLY 627 N 1.52 0.61 3.73 0.72 0.00 -0.74 -3.76 105.19 107.27 1qf7 n GLY 627 Ca 0.21 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 1qf7 n GLY 627 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qf7 s VAL 628 N -2.30 5.22 0.50 1.61 1.01 -0.64 -1.22 120.40 124.57 1qf7 s VAL 628 Ca 0.00 0.83 -0.03 0.00 0.00 0.00 0.00 61.98 62.77 1qf7 s VAL 628 Cb 0.00 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1qf7 s VAL 628 CO 0.00 0.36 0.77 -1.00 0.00 0.00 0.00 175.10 175.23 1qf7 s HIS 629 N 0.50 3.36 0.10 5.22 3.76 -0.24 -4.09 115.29 123.90 1qf7 s HIS 629 Ca 0.23 0.56 0.03 0.00 -0.15 0.00 0.00 55.06 55.73 1qf7 s HIS 629 Cb -0.15 -2.42 -0.04 0.00 1.11 0.00 0.00 32.58 31.09 1qf7 s HIS 629 CO 0.08 -0.45 -0.09 0.00 -0.85 0.00 0.00 174.74 173.43 1qf7 s ALA 630 N -2.74 1.11 -0.05 -1.40 0.00 -1.26 -0.25 121.76 117.17 1qf7 s ALA 630 Ca 0.49 -1.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 1qf7 s ALA 630 Cb -0.10 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.12 1qf7 s ALA 630 CO 0.42 -0.11 0.02 -1.59 0.00 0.00 0.00 175.76 174.50 1qf7 s LYS 631 N -3.27 0.30 -0.39 0.00 -2.85 -0.49 -4.89 119.74 108.15 1qf7 s LYS 631 Ca 0.09 0.20 -0.23 0.00 -1.00 0.00 0.00 55.97 55.02 1qf7 s LYS 631 Cb 0.01 -0.71 0.01 0.00 -2.06 0.00 0.00 37.83 35.08 1qf7 s LYS 631 CO -0.01 -0.28 0.79 -0.51 0.10 0.00 0.00 175.35 175.44 1qf7 s LEU 632 N 1.84 4.14 0.04 2.77 1.43 -1.26 -0.29 118.68 127.36 1qf7 s LEU 632 Ca 0.02 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1qf7 s LEU 632 Cb -0.12 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 1qf7 s LEU 632 CO -0.04 -0.79 0.03 -0.76 0.23 0.00 0.00 176.35 175.03 1qf7 s LEU 633 N 3.18 3.62 0.00 1.79 1.02 -0.31 -0.18 118.68 127.81 1qf7 s LEU 633 Ca 0.31 -0.03 -0.02 0.00 0.02 0.00 0.00 54.13 54.42 1qf7 s LEU 633 Cb -0.13 -2.20 0.01 0.00 0.02 0.00 0.00 46.19 43.89 1qf7 s LEU 633 CO 0.18 0.23 0.34 0.00 0.02 0.00 0.00 176.35 177.12 1qf7 n TYR 634 N 0.96 -1.17 1.59 0.29 9.36 -1.05 -0.45 117.16 126.68 1qf7 n TYR 634 Ca -0.12 -1.51 0.15 0.00 3.32 0.00 0.00 57.90 59.74 1qf7 n TYR 634 Cb 0.52 0.38 0.71 0.00 -0.63 0.00 0.00 39.34 40.33 1qf7 n TYR 634 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1qf7 n SER 635 N -1.76 0.41 -3.86 2.98 3.41 -1.26 -1.82 113.62 111.72 1qf7 n SER 635 Ca -0.00 -0.76 -0.08 0.00 -0.26 0.00 0.00 58.87 57.78 1qf7 n SER 635 Cb 0.38 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 1qf7 n SER 635 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qf7 s ARG 636 N -2.29 1.74 0.83 4.33 1.70 -1.26 -4.89 118.95 119.11 1qf7 s ARG 636 Ca 0.35 -1.09 -0.11 0.00 -0.47 0.00 0.00 55.73 54.41 1qf7 s ARG 636 Cb 0.21 0.57 0.19 0.00 -0.57 0.00 0.00 34.95 35.34 1qf7 s ARG 636 CO 0.43 -0.78 1.13 -1.33 -1.08 0.00 0.00 175.30 173.67 1qf7 n MET 637 N -0.44 -0.90 0.00 3.89 2.81 -1.26 -4.76 117.12 116.46 1qf7 n MET 637 Ca -0.03 -2.02 0.00 0.00 -1.81 0.00 0.00 57.70 53.84 1qf7 n MET 637 Cb 0.60 -1.09 0.00 0.00 -0.71 0.00 0.00 33.22 32.02 1qf7 n MET 637 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qf7 n GLY 638 N -2.67 0.94 3.18 3.03 0.00 -1.26 -4.97 105.19 103.45 1qf7 n GLY 638 Ca 0.15 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 1qf7 n GLY 638 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qf7 s GLU 639 N 0.00 0.79 0.11 1.61 2.02 -1.26 -1.62 118.70 120.35 1qf7 s GLU 639 Ca 0.00 -0.97 0.03 0.00 0.02 0.00 0.00 54.97 54.05 1qf7 s GLU 639 Cb 0.00 0.32 -0.04 0.00 0.10 0.00 0.00 34.13 34.51 1qf7 s GLU 639 CO 0.00 -0.24 -0.08 0.14 0.02 0.00 0.00 175.26 175.10 1qf7 s VAL 640 N -3.76 0.87 -0.18 2.63 -7.23 -0.55 -4.97 120.40 107.22 1qf7 s VAL 640 Ca 0.04 -1.87 -0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1qf7 s VAL 640 Cb 0.05 -1.62 -0.01 0.00 0.56 0.00 0.00 36.38 35.36 1qf7 s VAL 640 CO -0.10 -0.76 -0.09 -0.89 -0.31 0.00 0.00 175.10 172.95 1qf7 s THR 641 N -3.21 3.17 1.15 5.32 2.01 -1.26 0.09 115.64 122.91 1qf7 s THR 641 Ca 0.11 -0.59 -0.16 0.00 0.31 0.00 0.00 61.69 61.36 1qf7 s THR 641 Cb 0.02 -2.39 0.26 0.00 0.01 0.00 0.00 72.50 70.41 1qf7 s THR 641 CO -0.02 0.48 1.08 0.00 -0.69 0.00 0.00 174.62 175.46 1qf7 s ALA 642 N 0.93 0.44 0.43 7.40 0.00 0.11 -4.18 121.76 126.90 1qf7 s ALA 642 Ca -0.02 -0.64 0.15 0.00 0.00 0.00 0.00 51.96 51.45 1qf7 s ALA 642 Cb -0.15 -3.01 1.05 0.00 0.00 0.00 0.00 23.12 21.01 1qf7 s ALA 642 CO -0.00 -3.47 1.95 0.38 0.00 0.00 0.00 175.76 174.62 1qf7 h ASP 643 N -2.44 0.37 -0.51 0.00 3.04 -1.27 0.04 116.42 115.65 1qf7 h ASP 643 Ca -0.51 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 1qf7 h ASP 643 Cb 1.32 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 39.55 1qf7 h ASP 643 CO 0.44 0.21 0.00 -0.90 -2.04 0.00 0.00 179.24 176.95 1qf7 n ASP 644 N -4.47 4.60 0.00 4.15 5.75 -1.26 -4.91 116.55 120.41 1qf7 n ASP 644 Ca 0.12 -2.61 0.00 0.00 -0.01 0.00 0.00 54.79 52.29 1qf7 n ASP 644 Cb 0.46 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1qf7 n ASP 644 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qf7 n GLY 645 N 0.72 1.02 3.71 6.12 0.00 0.00 -5.02 105.19 111.74 1qf7 n GLY 645 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1qf7 n GLY 645 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qf7 s THR 646 N -3.12 3.34 -0.16 2.61 2.01 -1.26 -4.75 115.64 114.32 1qf7 s THR 646 Ca 0.00 0.90 -0.26 0.00 0.31 0.00 0.00 61.69 62.64 1qf7 s THR 646 Cb 0.00 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 1qf7 s THR 646 CO 0.00 0.04 0.87 -0.69 -0.69 0.00 0.00 174.62 174.15 1qf7 s VAL 647 N 1.58 4.86 -0.33 3.82 1.01 -1.26 0.08 120.40 130.16 1qf7 s VAL 647 Ca 0.66 1.71 -0.06 0.00 0.00 0.00 0.00 61.98 64.29 1qf7 s VAL 647 Cb -0.36 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 31.88 1qf7 s VAL 647 CO 0.30 0.02 0.09 -0.76 0.00 0.00 0.00 175.10 174.75 1qf7 s LEU 648 N 2.12 4.25 0.08 3.92 1.02 0.11 -4.98 118.68 125.21 1qf7 s LEU 648 Ca 0.40 -1.12 -0.30 0.00 0.02 0.00 0.00 54.13 53.13 1qf7 s LEU 648 Cb -0.17 -1.85 -0.06 0.00 0.02 0.00 0.00 46.19 44.13 1qf7 s LEU 648 CO 0.13 -0.31 1.10 -2.16 0.02 0.00 0.00 176.35 175.13 1qf7 s PRO 649 N 1.40 4.53 -0.07 1.29 0.04 -1.26 -1.48 135.00 139.44 1qf7 s PRO 649 Ca -0.02 1.65 -0.22 0.00 0.04 0.00 0.00 61.00 62.46 1qf7 s PRO 649 Cb -0.19 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 1qf7 s PRO 649 CO 0.02 -0.08 0.64 0.42 0.04 0.00 0.00 177.00 178.04 1qf7 s ILE 650 N 0.60 5.06 0.06 0.56 1.01 -0.64 -4.77 121.20 123.08 1qf7 s ILE 650 Ca 0.54 1.31 -0.11 0.00 0.00 0.00 0.00 60.65 62.39 1qf7 s ILE 650 Cb -0.27 -3.98 -0.30 0.00 0.01 0.00 0.00 42.46 37.93 1qf7 s ILE 650 CO 0.31 0.29 1.11 0.00 0.00 0.00 0.00 174.94 176.64 1qf7 h ALA 651 N 6.62 0.02 -2.36 9.38 0.00 -0.91 -3.41 119.26 128.60 1qf7 h ALA 651 Ca -0.41 -0.83 0.18 0.00 0.00 0.00 0.00 54.91 53.84 1qf7 h ALA 651 Cb 1.19 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 1qf7 h ALA 651 CO 0.75 0.80 0.51 0.00 0.00 0.00 0.00 179.25 181.31 1qf7 s ALA 652 N -2.79 -1.64 0.62 0.00 0.00 -1.22 -5.04 121.76 111.69 1qf7 s ALA 652 Ca -0.07 0.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 1qf7 s ALA 652 Cb 0.06 0.65 0.04 0.00 0.00 0.00 0.00 23.12 23.88 1qf7 s ALA 652 CO 0.92 -1.05 0.89 0.95 0.00 0.00 0.00 175.76 177.46 1qf7 s THR 653 N -3.01 2.60 0.16 0.00 -4.23 -1.26 -2.54 115.64 107.36 1qf7 s THR 653 Ca 0.14 -0.44 -0.19 0.00 -1.18 0.00 0.00 61.69 60.02 1qf7 s THR 653 Cb -0.01 -3.05 0.07 0.00 1.34 0.00 0.00 72.50 70.84 1qf7 s THR 653 CO 0.03 -0.04 1.66 -0.26 -0.54 0.00 0.00 174.62 175.46 1qf7 h PHE 654 N -0.24 -0.35 -0.13 3.99 0.04 -1.68 -2.06 116.94 116.52 1qf7 h PHE 654 Ca -0.43 0.04 -0.13 0.00 2.80 0.00 0.00 57.97 60.24 1qf7 h PHE 654 Cb 1.30 0.21 -0.01 0.00 2.20 0.00 0.00 35.95 39.65 1qf7 h PHE 654 CO 0.36 -0.22 -0.50 0.00 -0.60 0.00 0.00 178.31 177.36 1qf7 h ALA 655 N 1.18 0.91 0.00 2.45 0.00 -1.91 -3.26 119.26 118.64 1qf7 h ALA 655 Ca 0.17 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1qf7 h ALA 655 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1qf7 h ALA 655 CO -0.39 0.66 -0.28 0.78 0.00 0.00 0.00 179.25 180.02 1qf7 h GLY 656 N 1.26 0.00 -6.50 0.00 0.00 -1.83 -3.36 103.07 92.64 1qf7 h GLY 656 Ca 0.01 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.75 1qf7 h GLY 656 CO 0.08 0.00 -0.89 0.00 0.00 0.00 0.00 176.54 175.73 1qf7 n ALA 657 N -2.20 2.98 -0.57 3.60 0.00 -0.81 -4.86 120.51 118.65 1qf7 n ALA 657 Ca 0.01 -3.46 -0.29 0.00 0.00 0.00 0.00 53.44 49.70 1qf7 n ALA 657 Cb 0.55 -0.82 0.22 0.00 0.00 0.00 0.00 19.45 19.40 1qf7 n ALA 657 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1qf7 s PRO 658 N -0.38 -0.18 0.55 0.00 0.02 -1.23 -4.83 135.00 128.95 1qf7 s PRO 658 Ca 0.31 1.17 0.26 0.00 0.02 0.00 0.00 61.00 62.77 1qf7 s PRO 658 Cb 0.03 -1.62 1.46 0.00 0.02 0.00 0.00 34.50 34.39 1qf7 s PRO 658 CO -0.19 -3.32 2.01 0.66 -0.33 0.00 0.00 177.00 175.83 1qf7 h SER 659 N -2.35 0.00 -0.88 2.53 4.64 -1.85 -1.49 113.55 114.15 1qf7 h SER 659 Ca -0.54 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.00 1qf7 h SER 659 Cb 1.31 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.34 1qf7 h SER 659 CO 0.46 0.00 0.60 -0.07 -0.87 0.00 0.00 176.83 176.95 1qf7 h LEU 660 N 0.00 0.27 -1.23 5.97 4.07 -1.95 -1.66 115.31 120.79 1qf7 h LEU 660 Ca 0.20 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1qf7 h LEU 660 Cb 0.89 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.61 1qf7 h LEU 660 CO -0.00 0.11 0.00 0.35 -1.08 0.00 0.00 178.44 177.81 1qf7 n THR 661 N -4.44 0.19 -4.41 0.22 -2.24 -0.56 -4.91 114.28 98.13 1qf7 n THR 661 Ca 0.19 -0.37 -0.20 0.00 -2.27 0.00 0.00 64.05 61.39 1qf7 n THR 661 Cb 0.77 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 69.39 1qf7 n THR 661 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1qf7 s VAL 662 N -1.81 1.57 -0.34 2.28 -7.23 -0.62 -4.96 120.40 109.29 1qf7 s VAL 662 Ca 0.34 -2.12 0.23 0.00 -1.81 0.00 0.00 61.98 58.62 1qf7 s VAL 662 Cb 0.19 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 1qf7 s VAL 662 CO 0.28 -0.33 1.02 0.47 -0.31 0.00 0.00 175.10 176.23 1qf7 n ASP 663 N -0.54 0.69 -3.62 4.85 8.00 -0.35 -5.00 116.55 120.58 1qf7 n ASP 663 Ca -0.06 0.17 -0.05 0.00 0.71 0.00 0.00 54.79 55.56 1qf7 n ASP 663 Cb 0.63 0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 42.35 1qf7 n ASP 663 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qf7 s ALA 664 N -3.32 -1.80 -0.06 2.24 0.00 -1.20 -4.21 121.76 113.40 1qf7 s ALA 664 Ca 0.00 0.67 0.03 0.00 0.00 0.00 0.00 51.96 52.66 1qf7 s ALA 664 Cb 0.11 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.71 1qf7 s ALA 664 CO 0.80 -0.85 -0.15 0.08 0.00 0.00 0.00 175.76 175.63 1qf7 s VAL 665 N -3.09 1.31 -0.06 0.00 1.01 -0.92 -1.44 120.40 117.20 1qf7 s VAL 665 Ca 0.09 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1qf7 s VAL 665 Cb -0.01 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.21 1qf7 s VAL 665 CO -0.04 0.39 -0.19 -0.63 0.00 0.00 0.00 175.10 174.63 1qf7 s ILE 666 N 0.42 1.60 -0.31 2.22 1.01 0.03 -1.01 121.20 125.16 1qf7 s ILE 666 Ca -0.11 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.75 1qf7 s ILE 666 Cb -0.14 -1.38 0.07 0.00 0.01 0.00 0.00 42.46 41.01 1qf7 s ILE 666 CO 0.04 0.46 0.01 -0.69 0.00 0.00 0.00 174.94 174.76 1qf7 s VAL 667 N 0.19 2.71 0.76 2.92 1.01 -0.46 -1.66 120.40 125.87 1qf7 s VAL 667 Ca -0.09 -1.73 -0.11 0.00 0.00 0.00 0.00 61.98 60.05 1qf7 s VAL 667 Cb -0.14 -2.69 0.05 0.00 0.00 0.00 0.00 36.38 33.59 1qf7 s VAL 667 CO 0.04 -0.27 1.08 -2.16 0.00 0.00 0.00 175.10 173.79 1qf7 s PRO 668 N 1.13 2.41 1.06 2.72 0.04 -1.26 -1.37 135.00 139.75 1qf7 s PRO 668 Ca -0.01 0.73 -0.16 0.00 0.04 0.00 0.00 61.00 61.59 1qf7 s PRO 668 Cb -0.20 -1.95 0.23 0.00 0.04 0.00 0.00 34.50 32.62 1qf7 s PRO 668 CO -0.04 -1.41 1.17 0.00 0.04 0.00 0.00 177.00 176.76 1qf7 n GLY 670 N -1.91 0.26 3.46 0.00 0.00 -1.26 -1.69 105.19 104.04 1qf7 n GLY 670 Ca 0.11 -1.11 -0.44 0.00 0.00 0.00 0.00 46.02 44.58 1qf7 n GLY 670 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qf7 s ASN 671 N -4.00 6.92 0.63 1.61 3.04 -1.13 -4.82 114.94 117.20 1qf7 s ASN 671 Ca 0.00 -2.68 0.40 0.00 0.04 0.00 0.00 52.86 50.62 1qf7 s ASN 671 Cb 0.00 -2.40 2.09 0.00 -1.54 0.00 0.00 41.25 39.39 1qf7 s ASN 671 CO 0.00 -0.86 2.26 0.40 -3.04 0.00 0.00 177.10 175.86 1qf7 h ILE 672 N 5.06 0.10 0.00 -5.21 1.08 -1.93 -1.89 117.51 114.71 1qf7 h ILE 672 Ca 0.27 -0.15 -0.03 0.00 -0.39 0.00 0.00 64.86 64.56 1qf7 h ILE 672 Cb 0.92 1.14 -0.00 0.00 -3.07 0.00 0.00 36.82 35.81 1qf7 h ILE 672 CO 1.20 0.01 -0.12 0.00 -0.69 0.00 0.00 178.15 178.55 1qf7 h ALA 673 N 1.99 1.28 -0.57 1.87 0.00 -1.97 0.33 119.26 122.18 1qf7 h ALA 673 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1qf7 h ALA 673 Cb 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1qf7 h ALA 673 CO 0.00 0.15 0.27 0.22 0.00 0.00 0.00 179.25 179.90 1qf7 h ASP 674 N 0.00 0.72 -0.00 0.00 3.58 -1.76 -3.30 116.42 115.67 1qf7 h ASP 674 Ca -0.00 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1qf7 h ASP 674 Cb 0.35 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1qf7 h ASP 674 CO 0.02 0.62 -0.14 2.30 -2.88 0.00 0.00 179.24 179.15 1qf7 n ILE 675 N -4.36 0.00 -0.10 2.25 -5.35 -0.57 -4.68 119.36 106.55 1qf7 n ILE 675 Ca 0.05 -0.43 0.25 0.00 -0.27 0.00 0.00 62.75 62.35 1qf7 n ILE 675 Cb 0.13 1.01 0.71 0.00 -1.74 0.00 0.00 39.64 39.75 1qf7 n ILE 675 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qf7 h ALA 676 N 0.50 2.69 -0.25 -1.28 0.00 -0.47 0.97 119.26 121.42 1qf7 h ALA 676 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qf7 h ALA 676 Cb 0.09 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1qf7 h ALA 676 CO 0.00 -0.93 0.00 -0.25 0.00 0.00 0.00 179.25 178.07 1qf7 n ASP 677 N -4.27 2.96 -4.65 0.00 8.00 -1.26 -4.92 116.55 112.41 1qf7 n ASP 677 Ca 0.15 -2.29 -0.43 0.00 0.71 0.00 0.00 54.79 52.93 1qf7 n ASP 677 Cb 0.82 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.63 1qf7 n ASP 677 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1qf7 s ASN 678 N -1.31 7.01 0.18 -2.24 3.84 0.33 -4.95 114.94 117.80 1qf7 s ASN 678 Ca 0.24 1.39 -0.13 0.00 0.21 0.00 0.00 52.86 54.57 1qf7 s ASN 678 Cb 0.16 -2.54 0.10 0.00 -0.55 0.00 0.00 41.25 38.42 1qf7 s ASN 678 CO 0.11 -0.75 1.84 1.23 -2.79 0.00 0.00 177.10 176.73 1qf7 h GLY 679 N 9.72 0.81 1.04 1.21 0.00 -1.92 -2.27 103.07 111.65 1qf7 h GLY 679 Ca -0.22 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 46.77 1qf7 h GLY 679 CO 0.99 0.26 0.17 -0.55 0.00 0.00 0.00 176.54 177.41 1qf7 h ASP 680 N 0.73 0.99 -0.50 0.19 3.32 -1.96 0.10 116.42 119.30 1qf7 h ASP 680 Ca 0.22 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1qf7 h ASP 680 Cb -0.04 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1qf7 h ASP 680 CO -0.07 0.96 0.19 0.00 -1.72 0.00 0.00 179.24 178.60 1qf7 h ALA 681 N 1.07 0.65 -0.51 3.45 0.00 -1.77 0.65 119.26 122.79 1qf7 h ALA 681 Ca 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1qf7 h ALA 681 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1qf7 h ALA 681 CO 0.00 0.27 0.19 -0.91 0.00 0.00 0.00 179.25 178.80 1qf7 h ASN 682 N 0.67 0.71 -0.35 0.00 2.35 -1.17 -2.99 115.58 114.80 1qf7 h ASN 682 Ca 0.16 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 1qf7 h ASN 682 Cb 0.22 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1qf7 h ASN 682 CO -0.01 0.70 0.04 0.22 -1.65 0.00 0.00 177.43 176.73 1qf7 h TYR 683 N 0.69 0.72 -0.58 1.19 3.20 -0.61 -2.10 116.97 119.47 1qf7 h TYR 683 Ca 0.17 -0.08 0.12 0.00 3.14 0.00 0.00 58.73 62.08 1qf7 h TYR 683 Cb 0.22 -0.21 -0.11 0.00 1.54 0.00 0.00 36.73 38.18 1qf7 h TYR 683 CO 0.01 0.66 -0.11 -0.92 -1.64 0.00 0.00 178.16 176.15 1qf7 h TYR 684 N 0.66 -0.24 -0.26 -3.82 5.03 -0.72 0.38 116.97 118.00 1qf7 h TYR 684 Ca 0.14 0.05 -0.10 0.00 2.58 0.00 0.00 58.73 61.40 1qf7 h TYR 684 Cb 0.35 0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.82 1qf7 h TYR 684 CO 0.02 -0.23 -0.23 -0.07 -1.32 0.00 0.00 178.16 176.33 1qf7 h LEU 685 N 0.02 0.66 -0.54 2.82 4.07 -1.46 -2.37 115.31 118.51 1qf7 h LEU 685 Ca 0.28 -0.46 -0.00 0.00 0.08 0.00 0.00 57.88 57.78 1qf7 h LEU 685 Cb 0.44 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.97 1qf7 h LEU 685 CO -0.57 0.98 0.32 0.24 -1.08 0.00 0.00 178.44 178.33 1qf7 h MET 686 N 0.34 0.74 0.08 1.13 2.86 -0.61 0.63 114.93 120.10 1qf7 h MET 686 Ca 0.05 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1qf7 h MET 686 Cb 0.79 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1qf7 h MET 686 CO 0.06 0.54 -0.04 1.49 1.06 0.00 0.00 176.91 180.02 1qf7 h GLU 687 N 0.73 -0.11 -0.78 1.72 4.81 -0.97 0.18 114.58 120.16 1qf7 h GLU 687 Ca 0.19 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.49 1qf7 h GLU 687 Cb -0.01 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 1qf7 h GLU 687 CO -0.04 -0.05 0.47 0.00 -0.73 0.00 0.00 179.01 178.66 1qf7 h ALA 688 N 0.78 1.06 -0.24 2.92 0.00 -1.35 -0.30 119.26 122.14 1qf7 h ALA 688 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1qf7 h ALA 688 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1qf7 h ALA 688 CO 0.02 0.19 0.06 -0.92 0.00 0.00 0.00 179.25 178.60 1qf7 h TYR 689 N 0.86 0.39 -0.78 0.00 3.20 -0.64 -1.17 116.97 118.83 1qf7 h TYR 689 Ca 0.34 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1qf7 h TYR 689 Cb 0.17 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 1qf7 h TYR 689 CO -0.05 0.47 0.50 -0.22 -1.64 0.00 0.00 178.16 177.22 1qf7 h LYS 690 N 0.21 1.04 -0.68 1.82 3.64 -0.57 -1.59 116.57 120.43 1qf7 h LYS 690 Ca 0.07 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1qf7 h LYS 690 Cb 0.27 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1qf7 h LYS 690 CO 0.00 0.70 0.00 0.72 -2.27 0.00 0.00 179.45 178.60 1qf7 n HIS 691 N -4.40 0.43 -2.15 1.91 8.25 -0.16 -4.89 115.22 114.20 1qf7 n HIS 691 Ca 0.09 -0.16 -0.18 0.00 -0.26 0.00 0.00 57.72 57.21 1qf7 n HIS 691 Cb 0.04 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 30.99 1qf7 n HIS 691 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1qf7 n LEU 692 N 0.11 -1.69 -4.84 2.41 4.77 -0.60 -4.90 117.00 112.26 1qf7 n LEU 692 Ca 0.07 0.09 -0.35 0.00 -0.03 0.00 0.00 56.01 55.78 1qf7 n LEU 692 Cb 0.38 -2.56 -0.06 0.00 -2.33 0.00 0.00 43.42 38.86 1qf7 n LEU 692 CO 0.07 -0.35 0.30 -0.54 -1.33 0.00 0.00 177.39 175.53 1qf7 s LYS 693 N -4.57 4.02 0.20 3.23 1.02 -0.46 -0.33 119.74 122.85 1qf7 s LYS 693 Ca 0.00 0.57 -0.33 0.00 0.02 0.00 0.00 55.97 56.24 1qf7 s LYS 693 Cb 0.00 -2.83 -0.13 0.00 -0.52 0.00 0.00 37.83 34.36 1qf7 s LYS 693 CO 0.00 0.40 1.67 -2.30 -0.92 0.00 0.00 175.35 174.20 1qf7 n PRO 694 N 0.53 2.57 -5.09 -1.68 -0.02 -1.26 -4.64 135.00 125.41 1qf7 n PRO 694 Ca -0.03 0.93 -0.29 0.00 -2.02 0.00 0.00 63.50 62.08 1qf7 n PRO 694 Cb 0.52 -2.74 -0.16 0.00 -0.02 0.00 0.00 33.50 31.09 1qf7 n PRO 694 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1qf7 s ILE 695 N 1.03 1.80 -0.10 4.25 1.01 -1.01 -2.16 121.20 126.02 1qf7 s ILE 695 Ca 0.76 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 60.50 1qf7 s ILE 695 Cb -0.56 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.39 1qf7 s ILE 695 CO 0.35 0.51 -0.13 0.00 0.00 0.00 0.00 174.94 175.67 1qf7 s ALA 696 N -0.04 1.52 -0.21 9.38 0.00 -0.18 0.05 121.76 132.28 1qf7 s ALA 696 Ca -0.05 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 1qf7 s ALA 696 Cb -0.13 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1qf7 s ALA 696 CO 0.03 -0.14 -0.13 -0.51 0.00 0.00 0.00 175.76 175.01 1qf7 s LEU 697 N 1.13 2.66 -0.15 0.00 1.43 0.66 -1.35 118.68 123.07 1qf7 s LEU 697 Ca -0.05 -0.77 -0.07 0.00 -1.03 0.00 0.00 54.13 52.22 1qf7 s LEU 697 Cb -0.14 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1qf7 s LEU 697 CO -0.03 -0.06 0.08 0.00 0.23 0.00 0.00 176.35 176.57 1qf7 s ALA 698 N 1.30 3.54 0.00 4.21 0.00 -0.47 -2.93 121.76 127.41 1qf7 s ALA 698 Ca 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1qf7 s ALA 698 Cb -0.15 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1qf7 s ALA 698 CO -0.09 0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.46 1qf7 n GLY 699 N 2.86 3.40 0.01 0.00 0.00 0.28 -0.75 105.19 111.00 1qf7 n GLY 699 Ca -0.18 0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.02 1qf7 n GLY 699 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qf7 n ASP 700 N 5.32 0.06 0.29 1.61 9.92 -1.26 -1.99 116.55 130.50 1qf7 n ASP 700 Ca 0.00 0.52 0.16 0.00 -0.53 0.00 0.00 54.79 54.94 1qf7 n ASP 700 Cb 0.00 -0.53 0.85 0.00 -0.64 0.00 0.00 41.12 40.80 1qf7 n ASP 700 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qf7 h ALA 701 N 2.24 1.19 0.00 2.24 0.00 -1.21 -1.57 119.26 122.15 1qf7 h ALA 701 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1qf7 h ALA 701 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1qf7 h ALA 701 CO 0.00 0.08 0.13 0.00 0.00 0.00 0.00 179.25 179.46 1qf7 h ARG 702 N 0.00 0.00 -0.01 0.00 3.08 -1.56 0.37 114.38 116.25 1qf7 h ARG 702 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qf7 h ARG 702 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1qf7 h ARG 702 CO 0.01 0.00 0.02 0.87 -1.07 0.00 0.00 179.97 179.80 1qf7 h LYS 703 N 0.00 0.00 0.00 0.04 1.57 -1.54 -1.18 116.57 115.46 1qf7 h LYS 703 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qf7 h LYS 703 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1qf7 h LYS 703 CO 0.00 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.07 1qf7 n PHE 704 N -3.51 0.00 0.05 -1.35 3.72 0.12 -2.98 117.46 113.51 1qf7 n PHE 704 Ca -0.03 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.53 1qf7 n PHE 704 Cb 0.10 -0.49 0.65 0.00 -0.94 0.00 0.00 39.48 38.81 1qf7 n PHE 704 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1qf7 h LYS 705 N 0.00 0.05 0.00 -1.08 1.57 -1.41 0.75 116.57 116.46 1qf7 h LYS 705 Ca 0.00 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1qf7 h LYS 705 Cb 0.37 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1qf7 h LYS 705 CO 0.00 0.03 -0.58 0.00 -0.57 0.00 0.00 179.45 178.33 1qf7 h ALA 706 N 1.79 0.83 -0.32 3.86 0.00 -1.76 -0.94 119.26 122.72 1qf7 h ALA 706 Ca 0.19 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1qf7 h ALA 706 Cb 0.70 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1qf7 h ALA 706 CO -0.01 0.73 -0.19 0.00 0.00 0.00 0.00 179.25 179.78 1qf7 h THR 707 N 0.00 1.26 -0.85 0.00 1.03 -1.05 -2.62 112.91 110.68 1qf7 h THR 707 Ca -0.01 -1.20 -0.39 0.00 -0.01 0.00 0.00 66.41 64.80 1qf7 h THR 707 Cb 1.19 1.21 -0.23 0.00 -1.07 0.00 0.00 68.15 69.25 1qf7 h THR 707 CO 0.08 0.39 0.46 2.30 -0.01 0.00 0.00 175.52 178.74 1qf7 n ILE 708 N -4.15 3.05 -4.20 0.00 -5.35 -1.19 -4.95 119.36 102.58 1qf7 n ILE 708 Ca 0.00 -1.93 -0.31 0.00 -0.27 0.00 0.00 62.75 60.24 1qf7 n ILE 708 Cb 0.38 -0.42 -0.07 0.00 -1.74 0.00 0.00 39.64 37.80 1qf7 n ILE 708 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1qf7 n LYS 709 N -0.85 -1.45 -3.69 6.28 4.01 -0.99 -4.92 118.16 116.54 1qf7 n LYS 709 Ca 0.51 0.17 -0.37 0.00 -0.51 0.00 0.00 58.31 58.12 1qf7 n LYS 709 Cb 1.52 -3.73 -0.06 0.00 -0.51 0.00 0.00 35.03 32.25 1qf7 n LYS 709 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1qf7 s ILE 710 N -4.19 5.26 0.68 -0.18 -1.09 -0.39 -5.03 121.20 116.26 1qf7 s ILE 710 Ca 0.05 0.45 -0.17 0.00 -2.23 0.00 0.00 60.65 58.75 1qf7 s ILE 710 Cb -0.03 -3.57 -0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1qf7 s ILE 710 CO 0.97 0.52 1.09 0.00 -1.23 0.00 0.00 174.94 176.29 1qf7 n ALA 711 N 1.65 0.31 -0.35 9.38 0.00 -1.26 -4.79 120.51 125.45 1qf7 n ALA 711 Ca -0.15 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.22 1qf7 n ALA 711 Cb 0.53 -2.19 0.18 0.00 0.00 0.00 0.00 19.45 17.97 1qf7 n ALA 711 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1qf7 h ASP 712 N 0.08 0.94 0.92 0.00 3.32 -1.98 0.53 116.42 120.23 1qf7 h ASP 712 Ca -0.49 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1qf7 h ASP 712 Cb 1.34 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1qf7 h ASP 712 CO 0.49 0.57 0.00 0.06 -1.72 0.00 0.00 179.24 178.65 1qf7 h GLN 713 N 1.06 0.00 0.00 3.56 3.07 -2.05 -3.49 115.11 117.25 1qf7 h GLN 713 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.17 1qf7 h GLN 713 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.82 1qf7 h GLN 713 CO -0.20 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.13 1qf7 n GLY 714 N 0.11 0.77 3.49 0.06 0.00 0.17 -5.09 105.19 104.70 1qf7 n GLY 714 Ca 0.02 -2.13 -0.15 0.00 0.00 0.00 0.00 46.02 43.76 1qf7 n GLY 714 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qf7 s GLU 715 N -1.24 0.80 0.28 1.61 -1.05 -1.26 -4.49 118.70 113.35 1qf7 s GLU 715 Ca 0.00 0.57 -0.30 0.00 -0.15 0.00 0.00 54.97 55.09 1qf7 s GLU 715 Cb 0.00 0.38 -0.13 0.00 -0.44 0.00 0.00 34.13 33.95 1qf7 s GLU 715 CO 0.00 -0.16 1.41 0.39 0.95 0.00 0.00 175.26 177.84 1qf7 n GLU 716 N 2.08 2.19 0.00 -4.83 -0.58 -1.26 -1.78 120.64 116.46 1qf7 n GLU 716 Ca -0.16 0.78 0.00 0.00 -0.42 0.00 0.00 57.16 57.36 1qf7 n GLU 716 Cb 0.56 -2.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.00 1qf7 n GLU 716 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qf7 n GLY 717 N 1.71 0.30 3.17 0.62 0.00 -1.26 -4.90 105.19 104.84 1qf7 n GLY 717 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1qf7 n GLY 717 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qf7 s ILE 718 N -2.09 2.78 -0.01 -0.61 -1.09 -0.73 -2.40 121.20 117.05 1qf7 s ILE 718 Ca 0.00 -1.22 -0.20 0.00 -2.23 0.00 0.00 60.65 57.00 1qf7 s ILE 718 Cb 0.00 -2.49 -0.05 0.00 -1.58 0.00 0.00 42.46 38.33 1qf7 s ILE 718 CO 0.00 0.08 0.57 -0.69 -1.23 0.00 0.00 174.94 173.67 1qf7 s VAL 719 N 1.27 4.93 -0.07 2.92 1.01 0.11 -4.56 120.40 126.00 1qf7 s VAL 719 Ca -0.03 1.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.97 1qf7 s VAL 719 Cb -0.18 -3.90 0.04 0.00 0.00 0.00 0.00 36.38 32.33 1qf7 s VAL 719 CO -0.04 0.43 0.41 -1.83 0.00 0.00 0.00 175.10 174.07 1qf7 s GLU 720 N -0.25 0.66 0.03 2.72 -1.05 -1.26 -0.24 118.70 119.31 1qf7 s GLU 720 Ca 0.30 0.17 -0.28 0.00 -0.15 0.00 0.00 54.97 55.01 1qf7 s GLU 720 Cb -0.18 0.31 0.10 0.00 -0.44 0.00 0.00 34.13 33.92 1qf7 s GLU 720 CO 0.16 -0.16 1.23 0.00 0.95 0.00 0.00 175.26 177.44 1qf7 s ALA 721 N -0.72 -2.20 0.28 -0.84 0.00 -1.15 -5.00 121.76 112.13 1qf7 s ALA 721 Ca -0.08 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.11 1qf7 s ALA 721 Cb -0.04 0.68 0.42 0.00 0.00 0.00 0.00 23.12 24.19 1qf7 s ALA 721 CO 0.04 -1.10 1.71 -0.44 0.00 0.00 0.00 175.76 175.97 1qf7 h ASP 722 N 2.00 0.43 -5.20 0.00 3.32 -1.90 0.82 116.42 115.89 1qf7 h ASP 722 Ca -0.26 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.55 1qf7 h ASP 722 Cb 1.20 -0.12 -0.13 0.00 0.22 0.00 0.00 39.33 40.50 1qf7 h ASP 722 CO 0.31 0.71 -0.33 -0.94 -1.72 0.00 0.00 179.24 177.27 1qf7 s SER 723 N -6.83 0.06 -0.50 6.45 1.04 -1.26 -3.03 113.70 109.62 1qf7 s SER 723 Ca -0.06 -0.73 -0.05 0.00 0.48 0.00 0.00 55.95 55.58 1qf7 s SER 723 Cb 0.14 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1qf7 s SER 723 CO 0.79 -0.81 2.98 0.00 0.98 0.00 0.00 173.24 177.17 1qf7 n ALA 724 N -0.14 6.55 -1.16 5.32 0.00 -1.26 -4.82 120.51 124.98 1qf7 n ALA 724 Ca -0.11 -2.86 0.14 0.00 0.00 0.00 0.00 53.44 50.60 1qf7 n ALA 724 Cb 0.63 -2.34 -0.07 0.00 0.00 0.00 0.00 19.45 17.66 1qf7 n ALA 724 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1qf7 n ASP 725 N 1.59 -6.42 -0.01 0.00 -0.08 -1.26 -4.32 116.55 106.05 1qf7 n ASP 725 Ca 0.51 1.13 -0.02 0.00 -1.51 0.00 0.00 54.79 54.90 1qf7 n ASP 725 Cb 0.60 -3.98 -0.01 0.00 2.34 0.00 0.00 41.12 40.08 1qf7 n ASP 725 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qf7 n GLY 726 N -3.90 -0.35 0.20 0.27 0.00 -1.26 -4.73 105.19 95.43 1qf7 n GLY 726 Ca -0.07 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1qf7 n GLY 726 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qf7 n SER 727 N -2.90 1.06 -0.08 1.61 3.41 -1.26 -3.90 113.62 111.56 1qf7 n SER 727 Ca -0.02 -0.85 -0.08 0.00 -0.26 0.00 0.00 58.87 57.65 1qf7 n SER 727 Cb 0.09 0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 64.33 1qf7 n SER 727 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1qf7 h PHE 728 N 1.01 0.28 -0.00 7.33 3.04 -1.90 -1.64 116.94 125.06 1qf7 h PHE 728 Ca 0.00 0.01 -0.17 0.00 3.98 0.00 0.00 57.97 61.79 1qf7 h PHE 728 Cb 0.55 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 1qf7 h PHE 728 CO 0.00 0.16 -0.80 0.52 -2.02 0.00 0.00 178.31 176.17 1qf7 h MET 729 N 0.32 0.06 -0.44 1.11 2.86 -1.86 -1.95 114.93 115.03 1qf7 h MET 729 Ca 0.12 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1qf7 h MET 729 Cb 0.03 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1qf7 h MET 729 CO -0.08 0.83 0.19 -0.44 1.06 0.00 0.00 176.91 178.47 1qf7 h ASP 730 N 0.04 0.60 -0.38 1.22 3.32 -1.67 0.28 116.42 119.83 1qf7 h ASP 730 Ca -0.02 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 1qf7 h ASP 730 Cb 1.41 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 1qf7 h ASP 730 CO 0.11 0.60 0.22 -0.33 -1.72 0.00 0.00 179.24 178.12 1qf7 h GLU 731 N 0.57 0.52 -0.71 3.56 5.08 -1.19 -0.01 114.58 122.40 1qf7 h GLU 731 Ca 0.15 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1qf7 h GLU 731 Cb 0.18 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1qf7 h GLU 731 CO -0.01 0.40 0.35 1.25 -1.00 0.00 0.00 179.01 179.99 1qf7 h LEU 732 N 0.49 0.93 -0.87 1.33 7.12 -0.77 -2.29 115.31 121.24 1qf7 h LEU 732 Ca 0.14 -0.13 -0.12 0.00 0.13 0.00 0.00 57.88 57.90 1qf7 h LEU 732 Cb 0.02 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 39.90 1qf7 h LEU 732 CO -0.02 0.79 -0.47 -0.07 -0.13 0.00 0.00 178.44 178.54 1qf7 h LEU 733 N 0.99 0.22 -0.28 2.25 4.07 -0.86 -1.40 115.31 120.31 1qf7 h LEU 733 Ca 0.24 -0.10 -0.06 0.00 0.08 0.00 0.00 57.88 58.04 1qf7 h LEU 733 Cb 0.11 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1qf7 h LEU 733 CO -0.03 0.67 -0.07 0.74 -1.08 0.00 0.00 178.44 178.67 1qf7 h THR 734 N 0.17 1.28 -0.30 0.22 2.02 -0.85 -1.10 112.91 114.36 1qf7 h THR 734 Ca 0.01 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.10 1qf7 h THR 734 Cb 0.90 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 1qf7 h THR 734 CO 0.07 0.35 0.19 -0.07 0.37 0.00 0.00 175.52 176.42 1qf7 h LEU 735 N 0.30 0.31 -1.55 2.58 3.38 -0.95 -2.81 115.31 116.58 1qf7 h LEU 735 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1qf7 h LEU 735 Cb 0.55 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1qf7 h LEU 735 CO 0.03 0.23 0.29 0.24 0.09 0.00 0.00 178.44 179.32 1qf7 h MET 736 N 0.38 0.59 0.00 1.13 2.86 -1.01 0.16 114.93 119.05 1qf7 h MET 736 Ca 0.11 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1qf7 h MET 736 Cb -0.03 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.50 1qf7 h MET 736 CO -0.04 0.40 -0.16 0.00 1.06 0.00 0.00 176.91 178.17 1qf7 h ALA 737 N 1.71 1.34 -0.41 6.32 0.00 -0.96 0.06 119.26 127.33 1qf7 h ALA 737 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qf7 h ALA 737 Cb -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1qf7 h ALA 737 CO -0.03 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1qf7 n ALA 738 N -2.33 2.44 0.00 0.00 0.00 0.02 -3.98 120.51 116.65 1qf7 n ALA 738 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1qf7 n ALA 738 Cb 0.27 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1qf7 n ALA 738 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1qf7 n HIS 739 N 0.72 0.00 -4.09 0.00 -0.00 0.01 -4.75 115.22 107.11 1qf7 n HIS 739 Ca 0.14 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.75 1qf7 n HIS 739 Cb 0.36 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.24 1qf7 n HIS 739 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1qf7 s ARG 740 N 0.00 0.62 -1.21 1.57 1.81 -1.26 -4.72 118.95 115.76 1qf7 s ARG 740 Ca 0.00 -0.98 -0.14 0.00 -1.72 0.00 0.00 55.73 52.89 1qf7 s ARG 740 Cb 0.00 -0.19 0.17 0.00 -0.45 0.00 0.00 34.95 34.48 1qf7 s ARG 740 CO 0.00 0.01 1.44 0.08 -0.68 0.00 0.00 175.30 176.14 1qf7 s VAL 741 N -2.35 5.04 0.43 3.52 1.01 0.55 -4.86 120.40 123.74 1qf7 s VAL 741 Ca -0.02 -2.65 0.11 0.00 0.00 0.00 0.00 61.98 59.42 1qf7 s VAL 741 Cb -0.03 -4.91 0.22 0.00 0.00 0.00 0.00 36.38 31.65 1qf7 s VAL 741 CO -0.02 -1.62 2.02 -0.50 0.00 0.00 0.00 175.10 174.98 1qf7 h TRP 742 N 7.14 0.25 0.00 5.22 4.06 -1.93 -1.26 115.95 129.43 1qf7 h TRP 742 Ca 0.32 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.26 1qf7 h TRP 742 Cb 0.87 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.95 1qf7 h TRP 742 CO 1.10 0.25 0.00 -1.13 -3.56 0.00 0.00 178.44 175.10 1qf7 n SER 743 N -4.41 0.21 -0.04 -3.49 3.41 -1.26 -1.61 113.62 106.43 1qf7 n SER 743 Ca -0.00 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 1qf7 n SER 743 Cb 0.16 -0.61 0.50 0.00 -0.26 0.00 0.00 64.21 63.99 1qf7 n SER 743 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1qf7 n ARG 744 N -1.76 0.22 -0.19 4.33 0.63 -0.47 -4.38 116.66 115.04 1qf7 n ARG 744 Ca 0.01 -0.08 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 1qf7 n ARG 744 Cb 0.10 -1.50 0.10 0.00 0.45 0.00 0.00 32.46 31.61 1qf7 n ARG 744 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1qf7 h ILE 745 N 0.19 0.65 0.00 5.15 2.04 -1.48 0.20 117.51 124.26 1qf7 h ILE 745 Ca 0.00 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1qf7 h ILE 745 Cb 0.46 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1qf7 h ILE 745 CO 0.00 0.05 -0.05 -0.65 0.00 0.00 0.00 178.15 177.50 1qf7 h PRO 746 N 0.25 0.00 0.00 2.37 0.11 -1.84 -2.92 132.00 129.97 1qf7 h PRO 746 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1qf7 h PRO 746 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1qf7 h PRO 746 CO -0.39 0.05 -0.56 0.87 -0.21 0.00 0.00 178.00 177.76 1qf7 h LYS 747 N 0.00 0.00 0.00 1.05 1.57 -0.89 -3.36 116.57 114.94 1qf7 h LYS 747 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qf7 h LYS 747 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1qf7 h LYS 747 CO 0.01 0.00 0.00 -0.84 -0.57 0.00 0.00 179.45 178.05 1qf7 h ILE 748 N 0.00 0.00 -0.68 1.86 3.07 -1.39 -3.33 117.51 117.04 1qf7 h ILE 748 Ca 0.00 -0.79 0.11 0.00 1.55 0.00 0.00 64.86 65.73 1qf7 h ILE 748 Cb 0.81 1.79 -0.04 0.00 -0.27 0.00 0.00 36.82 39.10 1qf7 h ILE 748 CO 0.00 0.00 0.45 -0.78 -1.05 0.00 0.00 178.15 176.77 1qf7 h ASP 749 N 0.00 0.43 1.04 2.16 1.82 -1.72 -1.91 116.42 118.24 1qf7 h ASP 749 Ca 0.00 0.01 -0.17 0.00 -0.39 0.00 0.00 57.03 56.48 1qf7 h ASP 749 Cb 0.89 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.80 1qf7 h ASP 749 CO 0.00 0.25 -0.83 0.11 -1.61 0.00 0.00 179.24 177.16 1qf7 h LYS 750 N 0.48 0.00 -6.37 0.28 1.79 -1.86 -3.46 116.57 107.42 1qf7 h LYS 750 Ca 0.32 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 58.24 1qf7 h LYS 750 Cb 0.60 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1qf7 h LYS 750 CO -0.10 0.83 0.65 -1.50 -1.08 0.00 0.00 179.45 178.25 1qf7 s ILE 751 N -2.91 4.18 -1.18 1.86 2.07 -0.72 -4.94 121.20 119.55 1qf7 s ILE 751 Ca 0.01 1.53 -0.21 0.00 -1.41 0.00 0.00 60.65 60.58 1qf7 s ILE 751 Cb 0.10 -3.99 0.01 0.00 0.13 0.00 0.00 42.46 38.71 1qf7 s ILE 751 CO 0.79 0.04 1.77 -2.16 -1.91 0.00 0.00 174.94 173.48 1qf7 s PRO 752 N 1.84 3.33 0.00 3.50 0.04 -1.26 -5.05 135.00 137.40 1qf7 s PRO 752 Ca 0.57 -1.44 0.00 0.00 0.04 0.00 0.00 61.00 60.17 1qf7 s PRO 752 Cb -0.26 -5.38 0.00 0.00 0.04 0.00 0.00 34.50 28.90 1qf7 s PRO 752 CO 0.25 -2.89 0.03 0.00 0.04 0.00 0.00 177.00 174.43