#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 -1.82 0.02 -2.24 2.88 -1.26 -5.03 113.62 106.17 1qf7 n SER 28 Ca 0.00 -2.54 -0.12 0.00 -1.33 0.00 0.00 58.87 54.88 1qf7 n SER 28 Cb 0.00 1.02 -0.14 0.00 -0.75 0.00 0.00 64.21 64.34 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 2.09 0.14 -9.94 2.46 3.38 -2.10 -3.46 115.31 107.88 1qf7 h LEU 29 Ca -0.26 -0.23 -0.52 0.00 0.09 0.00 0.00 57.88 56.96 1qf7 h LEU 29 Cb 1.28 -0.05 0.07 0.00 0.09 0.00 0.00 40.66 42.06 1qf7 h LEU 29 CO -0.04 1.19 0.57 0.00 0.09 0.00 0.00 178.44 180.25 1qf7 s ALA 30 N -2.63 3.21 0.47 1.53 0.00 -1.26 -4.95 121.76 118.12 1qf7 s ALA 30 Ca -0.06 1.12 -0.24 0.00 0.00 0.00 0.00 51.96 52.79 1qf7 s ALA 30 Cb 0.08 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 1qf7 s ALA 30 CO 0.83 -0.71 1.19 -0.35 0.00 0.00 0.00 175.76 176.72 1qf7 n PRO 31 N 0.10 1.63 0.23 0.00 -0.04 -1.26 -4.90 135.00 130.76 1qf7 n PRO 31 Ca 0.04 0.59 0.16 0.00 -0.04 0.00 0.00 63.50 64.24 1qf7 n PRO 31 Cb 0.45 -2.31 0.64 0.00 -0.04 0.00 0.00 33.50 32.24 1qf7 n PRO 31 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1qf7 h GLU 32 N 1.65 0.00 -0.00 0.54 4.57 -1.96 -2.13 114.58 117.24 1qf7 h GLU 32 Ca -0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 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 0.58 0.00 -0.04 -0.40 -1.18 0.00 0.00 179.01 177.97 1qf7 n ASP 33 N -2.78 0.29 -0.20 1.04 5.68 -1.26 -4.89 116.55 114.42 1qf7 n ASP 33 Ca 0.01 -0.68 -0.03 0.00 -0.50 0.00 0.00 54.79 53.59 1qf7 n ASP 33 Cb 0.27 -0.10 -0.01 0.00 -1.14 0.00 0.00 41.12 40.14 1qf7 n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qf7 n GLY 34 N 1.18 0.58 0.00 6.12 0.00 -0.80 -4.90 105.19 107.38 1qf7 n GLY 34 Ca 0.18 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.82 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 0.48 0.00 0.19 1.61 3.41 -1.26 -2.79 113.62 115.27 1qf7 n SER 35 Ca -0.03 -1.40 0.11 0.00 -0.26 0.00 0.00 58.87 57.29 1qf7 n SER 35 Cb 0.15 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.22 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 -3.62 7.33 2.07 -1.90 -3.45 115.15 115.58 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 0.07 -0.63 0.50 -3.07 0.00 0.00 177.93 174.80 1qf7 s ARG 37 N -3.20 3.62 0.59 5.12 6.06 -1.12 -4.97 118.95 125.05 1qf7 s ARG 37 Ca 0.05 -0.50 -0.19 0.00 -2.50 0.00 0.00 55.73 52.60 1qf7 s ARG 37 Cb 0.06 -3.30 -0.04 0.00 0.06 0.00 0.00 34.95 31.73 1qf7 s ARG 37 CO 0.70 -0.20 1.19 -1.25 -2.50 0.00 0.00 175.30 173.25 1qf7 s PRO 38 N 1.60 3.03 0.37 5.12 0.04 -1.26 -4.98 135.00 138.92 1qf7 s PRO 38 Ca 0.06 1.79 -0.26 0.00 0.04 0.00 0.00 61.00 62.63 1qf7 s PRO 38 Cb -0.15 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1qf7 s PRO 38 CO 0.03 -1.15 1.18 0.00 0.04 0.00 0.00 177.00 177.10 1qf7 s ALA 39 N -1.63 3.24 -1.13 8.56 0.00 -1.26 -4.91 121.76 124.63 1qf7 s ALA 39 Ca 0.77 1.00 -0.08 0.00 0.00 0.00 0.00 51.96 53.65 1qf7 s ALA 39 Cb -0.29 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.36 1qf7 s ALA 39 CO 0.32 -0.49 3.00 0.00 0.00 0.00 0.00 175.76 178.58 1qf7 n ALA 40 N 0.34 7.10 -3.40 0.00 0.00 -1.26 -4.79 120.51 118.50 1qf7 n ALA 40 Ca 0.03 -3.22 -0.11 0.00 0.00 0.00 0.00 53.44 50.14 1qf7 n ALA 40 Cb 0.45 -2.95 -0.02 0.00 0.00 0.00 0.00 19.45 16.93 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 1.03 1.31 0.20 0.00 4.04 -1.24 -4.84 118.70 119.19 1qf7 s GLU 41 Ca 0.66 -0.58 -0.32 0.00 0.04 0.00 0.00 54.97 54.77 1qf7 s GLU 41 Cb 0.23 0.57 -0.12 0.00 0.02 0.00 0.00 34.13 34.83 1qf7 s GLU 41 CO -0.07 -0.57 1.70 -2.14 -1.84 0.00 0.00 175.26 172.35 1qf7 s PRO 42 N -3.78 4.14 0.07 -4.83 0.02 -1.26 -4.98 135.00 124.37 1qf7 s PRO 42 Ca 0.03 2.57 0.01 0.00 0.02 0.00 0.00 61.00 63.62 1qf7 s PRO 42 Cb -0.01 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.37 1qf7 s PRO 42 CO -0.10 -0.73 -0.05 0.95 -0.33 0.00 0.00 177.00 176.74 1qf7 s THR 43 N 1.23 0.44 0.64 0.99 -4.23 -0.97 -4.96 115.64 108.77 1qf7 s THR 43 Ca 0.74 -1.70 -0.13 0.00 -1.18 0.00 0.00 61.69 59.42 1qf7 s THR 43 Cb -0.49 -1.37 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 1qf7 s THR 43 CO 0.32 -0.83 1.05 -2.16 -0.54 0.00 0.00 174.62 172.46 1qf7 s PRO 44 N -3.40 3.19 0.08 3.99 0.04 -1.26 -3.34 135.00 134.29 1qf7 s PRO 44 Ca 0.05 1.05 -0.34 0.00 0.04 0.00 0.00 61.00 61.80 1qf7 s PRO 44 Cb 0.03 -2.02 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 1qf7 s PRO 44 CO -0.06 -0.91 1.68 -2.30 0.04 0.00 0.00 177.00 175.45 1qf7 n PRO 45 N -2.56 2.15 -0.12 0.56 -0.02 -1.26 -1.79 135.00 131.95 1qf7 n PRO 45 Ca 0.08 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1qf7 n PRO 45 Cb 0.53 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 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 3.73 1.95 0.23 -1.23 0.00 -1.26 -4.92 105.19 103.68 1qf7 n GLY 46 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 0.45 -2.27 4.61 0.00 -1.71 -3.47 119.26 116.88 1qf7 h ALA 47 Ca 0.00 -0.56 -0.37 0.00 0.00 0.00 0.00 54.91 53.98 1qf7 h ALA 47 Cb 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 17.60 1qf7 h ALA 47 CO 0.00 0.69 -0.62 -0.65 0.00 0.00 0.00 179.25 178.67 1qf7 s GLN 48 N -3.91 1.43 0.25 0.00 -1.52 -1.26 -5.07 119.66 109.58 1qf7 s GLN 48 Ca -0.10 -1.77 -0.30 0.00 -1.95 0.00 0.00 55.36 51.25 1qf7 s GLN 48 Cb 0.10 -0.40 -0.10 0.00 -0.22 0.00 0.00 33.01 32.40 1qf7 s GLN 48 CO 0.89 -0.25 1.36 -2.14 -0.25 0.00 0.00 175.29 174.89 1qf7 s PRO 49 N -3.99 4.34 0.81 2.91 0.02 -1.26 -4.99 135.00 132.84 1qf7 s PRO 49 Ca 0.36 2.19 -0.11 0.00 0.02 0.00 0.00 61.00 63.46 1qf7 s PRO 49 Cb 0.08 -3.13 0.08 0.00 0.02 0.00 0.00 34.50 31.55 1qf7 s PRO 49 CO 0.13 -0.29 1.09 0.95 -0.33 0.00 0.00 177.00 178.55 1qf7 s THR 50 N -0.28 3.12 0.18 0.99 -4.23 -1.26 -4.58 115.64 109.58 1qf7 s THR 50 Ca 0.55 0.36 -0.15 0.00 -1.18 0.00 0.00 61.69 61.27 1qf7 s THR 50 Cb -0.39 -2.89 0.02 0.00 1.34 0.00 0.00 72.50 70.58 1qf7 s THR 50 CO 0.44 -0.48 0.45 0.00 -0.54 0.00 0.00 174.62 174.50 1qf7 s ALA 51 N -2.94 -0.74 0.21 3.99 0.00 -1.26 -4.99 121.76 116.02 1qf7 s ALA 51 Ca 0.62 -0.34 -0.31 0.00 0.00 0.00 0.00 51.96 51.94 1qf7 s ALA 51 Cb -0.17 0.83 -0.16 0.00 0.00 0.00 0.00 23.12 23.62 1qf7 s ALA 51 CO 0.56 -0.75 0.95 -2.30 0.00 0.00 0.00 175.76 174.22 1qf7 n PRO 52 N -0.30 0.86 -0.30 0.00 -0.02 -1.26 -4.66 135.00 129.32 1qf7 n PRO 52 Ca -0.10 0.30 0.11 0.00 -2.02 0.00 0.00 63.50 61.79 1qf7 n PRO 52 Cb 0.63 -1.64 0.28 0.00 -0.02 0.00 0.00 33.50 32.75 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 2.31 1.48 2.00 -1.23 0.00 -1.27 -1.26 103.07 105.09 1qf7 h GLY 53 Ca -0.39 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1qf7 h GLY 53 CO 0.63 -0.20 0.00 1.48 0.00 0.00 0.00 176.54 178.45 1qf7 h SER 54 N 0.46 0.00 0.14 0.19 4.64 -1.81 0.36 113.55 117.53 1qf7 h SER 54 Ca 0.53 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.49 1qf7 h SER 54 Cb 0.94 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.99 1qf7 h SER 54 CO -0.48 0.00 -2.10 0.18 -0.87 0.00 0.00 176.83 173.56 1qf7 n LEU 55 N -2.31 2.27 -0.07 5.97 4.77 -0.73 -3.50 117.00 123.40 1qf7 n LEU 55 Ca 0.04 0.14 -0.15 0.00 -0.03 0.00 0.00 56.01 56.01 1qf7 n LEU 55 Cb 0.36 -0.76 -0.05 0.00 -2.33 0.00 0.00 43.42 40.63 1qf7 n LEU 55 CO 0.26 0.78 0.43 0.50 -1.33 0.00 0.00 177.39 178.03 1qf7 h LYS 56 N 0.04 0.80 -2.01 3.23 1.63 -1.00 -3.39 116.57 115.87 1qf7 h LYS 56 Ca -0.45 -0.53 -0.56 0.00 -0.85 0.00 0.00 60.65 58.27 1qf7 h LYS 56 Cb 2.02 0.07 -0.39 0.00 -0.60 0.00 0.00 32.23 33.32 1qf7 h LYS 56 CO 0.04 1.15 -1.08 0.00 -3.45 0.00 0.00 179.45 176.11 1qf7 n ALA 57 N -2.56 2.52 0.30 5.00 0.00 0.09 -3.63 120.51 122.22 1qf7 n ALA 57 Ca -0.05 -3.49 0.17 0.00 0.00 0.00 0.00 53.44 50.06 1qf7 n ALA 57 Cb 0.61 -0.82 0.92 0.00 0.00 0.00 0.00 19.45 20.16 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 3.94 0.00 -0.01 0.00 0.13 -1.71 -2.33 132.00 132.02 1qf7 h PRO 58 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 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 0.49 0.04 -0.23 -0.25 -0.23 0.00 0.00 178.00 177.82 1qf7 n ASP 59 N -3.51 1.24 -4.60 1.44 8.00 -1.26 -4.79 116.55 113.07 1qf7 n ASP 59 Ca -0.02 -1.07 -0.43 0.00 0.71 0.00 0.00 54.79 53.98 1qf7 n ASP 59 Cb 0.15 0.14 -0.04 0.00 -0.02 0.00 0.00 41.12 41.36 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 -2.40 4.54 0.21 -3.53 2.01 -0.88 -5.00 115.64 110.58 1qf7 s THR 60 Ca 0.26 1.18 0.05 0.00 0.31 0.00 0.00 61.69 63.49 1qf7 s THR 60 Cb 0.19 -4.37 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 1qf7 s THR 60 CO 0.49 -0.61 -0.08 -0.13 -0.69 0.00 0.00 174.62 173.60 1qf7 s ARG 61 N 3.60 1.29 0.20 4.92 3.00 -1.26 -5.02 118.95 125.68 1qf7 s ARG 61 Ca 0.39 -1.61 -0.23 0.00 0.00 0.00 0.00 55.73 54.28 1qf7 s ARG 61 Cb -0.11 -0.85 0.05 0.00 0.00 0.00 0.00 34.95 34.04 1qf7 s ARG 61 CO 0.20 0.05 0.86 0.54 0.00 0.00 0.00 175.30 176.95 1qf7 s ASN 62 N -3.29 -0.22 0.32 0.23 2.20 -1.26 -5.02 114.94 107.90 1qf7 s ASN 62 Ca 0.24 -0.47 0.01 0.00 -0.94 0.00 0.00 52.86 51.69 1qf7 s ASN 62 Cb 0.03 0.58 0.53 0.00 -2.00 0.00 0.00 41.25 40.39 1qf7 s ASN 62 CO 0.06 -1.07 1.95 -0.08 -2.94 0.00 0.00 177.10 175.02 1qf7 h GLU 63 N 2.00 0.87 -0.07 3.55 4.81 -1.97 0.25 114.58 124.02 1qf7 h GLU 63 Ca -0.22 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 58.78 1qf7 h GLU 63 Cb 1.24 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 30.45 1qf7 h GLU 63 CO 0.25 0.64 -0.50 -0.22 -0.73 0.00 0.00 179.01 178.45 1qf7 h LYS 64 N 0.88 0.47 -0.87 1.92 1.63 -1.96 -2.21 116.57 116.43 1qf7 h LYS 64 Ca 0.23 -0.40 -0.03 0.00 -0.85 0.00 0.00 60.65 59.59 1qf7 h LYS 64 Cb 0.02 0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.70 1qf7 h LYS 64 CO -0.04 1.04 0.43 -0.07 -3.45 0.00 0.00 179.45 177.37 1qf7 h LEU 65 N 0.03 1.12 -0.54 5.20 3.38 -1.85 -2.18 115.31 120.46 1qf7 h LEU 65 Ca -0.04 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1qf7 h LEU 65 Cb 1.16 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1qf7 h LEU 65 CO 0.10 0.93 0.13 0.78 0.09 0.00 0.00 178.44 180.47 1qf7 h ASN 66 N 1.23 0.83 0.76 -0.43 2.35 -0.90 -2.63 115.58 116.78 1qf7 h ASN 66 Ca 0.30 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1qf7 h ASN 66 Cb 0.10 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1qf7 h ASN 66 CO -0.04 0.85 0.00 0.77 -1.65 0.00 0.00 177.43 177.36 1qf7 h SER 67 N 0.77 0.00 1.16 5.81 4.64 -0.80 -2.05 113.55 123.07 1qf7 h SER 67 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1qf7 h SER 67 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1qf7 h SER 67 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1qf7 n LEU 68 N -2.33 0.47 -0.28 5.97 4.77 -0.90 -3.90 117.00 120.80 1qf7 n LEU 68 Ca 0.02 0.56 0.06 0.00 -0.03 0.00 0.00 56.01 56.62 1qf7 n LEU 68 Cb 0.24 -0.42 0.28 0.00 -2.33 0.00 0.00 43.42 41.19 1qf7 n LEU 68 CO 0.21 -0.17 1.24 -0.08 -1.33 0.00 0.00 177.39 177.25 1qf7 h GLU 69 N 0.00 0.89 -0.08 3.23 4.57 -1.41 -1.06 114.58 120.72 1qf7 h GLU 69 Ca 0.00 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1qf7 h GLU 69 Cb 0.58 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1qf7 h GLU 69 CO 0.00 0.59 0.21 0.38 -1.18 0.00 0.00 179.01 179.01 1qf7 h ASP 70 N 0.92 0.00 -0.07 1.04 2.03 -1.80 -2.21 116.42 116.34 1qf7 h ASP 70 Ca 0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.70 1qf7 h ASP 70 Cb 0.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1qf7 h ASP 70 CO -0.16 0.00 0.00 1.33 -1.03 0.00 0.00 179.24 179.38 1qf7 n VAL 71 N -3.27 0.41 -2.41 4.15 0.24 -0.42 -5.00 118.33 112.04 1qf7 n VAL 71 Ca -0.01 -0.71 -0.41 0.00 -2.04 0.00 0.00 64.34 61.18 1qf7 n VAL 71 Cb 0.29 0.85 -0.04 0.00 -1.47 0.00 0.00 33.84 33.48 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 -0.65 4.56 -0.05 7.34 0.52 -0.83 -5.03 118.95 124.81 1qf7 s ARG 72 Ca 0.08 1.87 0.04 0.00 -0.52 0.00 0.00 55.73 57.19 1qf7 s ARG 72 Cb 0.05 -3.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.29 1qf7 s ARG 72 CO 0.06 0.07 -0.15 0.15 0.02 0.00 0.00 175.30 175.46 1qf7 s LYS 73 N -1.06 2.51 0.00 3.54 1.02 -1.26 -5.05 119.74 119.44 1qf7 s LYS 73 Ca 0.48 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.76 1qf7 s LYS 73 Cb -0.33 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.61 1qf7 s LYS 73 CO 0.41 0.61 0.00 0.41 -0.92 0.00 0.00 175.35 175.86 1qf7 n GLY 74 N 2.34 0.41 0.65 -3.33 0.00 -1.26 -5.07 105.19 98.93 1qf7 n GLY 74 Ca -0.17 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.78 0.00 -4.72 1.61 3.41 -1.26 -5.07 113.62 106.80 1qf7 n SER 75 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1qf7 n SER 75 Cb 0.00 0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.73 2.35 -0.94 4.33 1.02 -1.26 -1.62 120.64 122.79 1qf7 n GLU 76 Ca 0.00 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 1qf7 n GLU 76 Cb 0.00 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 28.93 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 0.96 -4.14 -4.88 1.62 3.02 -1.26 -5.01 115.26 105.57 1qf7 n ASN 77 Ca 0.05 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.33 1qf7 n ASN 77 Cb 0.37 -2.39 -0.04 0.00 -0.61 0.00 0.00 39.78 37.10 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 -1.43 3.35 0.40 3.10 2.02 -0.64 -5.10 117.35 119.05 1qf7 s TYR 78 Ca 0.00 0.08 -0.23 0.00 -0.37 0.00 0.00 57.07 56.55 1qf7 s TYR 78 Cb 0.00 -1.62 -0.11 0.00 -0.40 0.00 0.00 41.96 39.84 1qf7 s TYR 78 CO 0.00 0.52 0.95 0.00 -1.57 0.00 0.00 175.55 175.46 1qf7 s ALA 79 N -1.70 3.09 -0.06 3.71 0.00 -1.26 -5.02 121.76 120.52 1qf7 s ALA 79 Ca 0.33 0.45 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 1qf7 s ALA 79 Cb -0.11 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1qf7 s ALA 79 CO 0.26 0.13 1.23 -1.17 0.00 0.00 0.00 175.76 176.21 1qf7 s LEU 80 N -2.83 4.28 0.31 0.00 2.96 -1.26 -5.01 118.68 117.13 1qf7 s LEU 80 Ca 0.58 1.84 0.03 0.00 -0.22 0.00 0.00 54.13 56.36 1qf7 s LEU 80 Cb -0.12 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 1qf7 s LEU 80 CO 0.17 -0.61 0.10 0.42 -1.32 0.00 0.00 176.35 175.11 1qf7 s THR 81 N 2.34 0.68 1.06 3.68 -4.23 -1.26 -1.36 115.64 116.54 1qf7 s THR 81 Ca 0.57 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.92 1qf7 s THR 81 Cb -0.25 -2.61 0.22 0.00 1.34 0.00 0.00 72.50 71.20 1qf7 s THR 81 CO 0.22 0.00 1.14 0.42 -0.54 0.00 0.00 174.62 175.86 1qf7 s THR 82 N -3.52 1.84 0.25 3.99 -4.23 -0.43 -4.90 115.64 108.65 1qf7 s THR 82 Ca 0.35 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 61.15 1qf7 s THR 82 Cb 0.07 -2.61 0.32 0.00 1.34 0.00 0.00 72.50 71.61 1qf7 s THR 82 CO 0.15 0.00 1.99 0.78 -0.54 0.00 0.00 174.62 177.00 1qf7 h ASN 83 N -2.05 0.00 -0.13 3.99 2.35 -1.99 -1.84 115.58 115.91 1qf7 h ASN 83 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1qf7 h ASN 83 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 1qf7 h ASN 83 CO 0.47 0.11 0.00 0.00 -1.65 0.00 0.00 177.43 176.36 1qf7 n GLN 84 N -3.35 1.50 -0.65 0.81 1.13 -1.26 -4.95 117.38 110.62 1qf7 n GLN 84 Ca -0.01 -0.76 0.00 0.00 -1.94 0.00 0.00 57.00 54.29 1qf7 n GLN 84 Cb 0.31 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.32 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 1.00 0.67 3.70 1.08 0.00 -0.69 -5.04 105.19 105.90 1qf7 n GLY 85 Ca 0.14 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 4.99 0.42 1.61 1.01 -1.26 -4.84 120.40 120.32 1qf7 s VAL 86 Ca 0.00 1.52 -0.25 0.00 0.00 0.00 0.00 61.98 63.25 1qf7 s VAL 86 Cb 0.00 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 32.22 1qf7 s VAL 86 CO 0.00 0.17 1.23 -0.13 0.00 0.00 0.00 175.10 176.37 1qf7 s ARG 87 N 1.27 3.92 -0.19 2.72 0.52 -1.26 -1.31 118.95 124.61 1qf7 s ARG 87 Ca 0.38 1.98 -0.09 0.00 -0.52 0.00 0.00 55.73 57.48 1qf7 s ARG 87 Cb -0.18 -2.64 -0.05 0.00 0.52 0.00 0.00 34.95 32.61 1qf7 s ARG 87 CO 0.17 -0.48 0.11 0.42 0.02 0.00 0.00 175.30 175.54 1qf7 s ILE 88 N -1.36 5.23 -0.19 1.52 1.01 -0.47 -4.90 121.20 122.03 1qf7 s ILE 88 Ca 0.59 0.12 -0.13 0.00 0.00 0.00 0.00 60.65 61.24 1qf7 s ILE 88 Cb -0.34 -3.37 -0.21 0.00 0.01 0.00 0.00 42.46 38.55 1qf7 s ILE 88 CO 0.43 0.46 0.16 0.00 0.00 0.00 0.00 174.94 175.98 1qf7 n ALA 89 N 3.41 0.94 -3.87 9.38 0.00 -1.26 -4.81 120.51 124.30 1qf7 n ALA 89 Ca -0.16 -0.66 -0.30 0.00 0.00 0.00 0.00 53.44 52.31 1qf7 n ALA 89 Cb 0.52 -0.48 -0.15 0.00 0.00 0.00 0.00 19.45 19.34 1qf7 n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qf7 s ASP 90 N -6.98 4.25 -0.11 0.00 -1.08 -1.26 -4.96 116.67 106.53 1qf7 s ASP 90 Ca -0.28 -1.74 0.09 0.00 -0.52 0.00 0.00 52.55 50.09 1qf7 s ASP 90 Cb 0.08 -1.19 0.45 0.00 -1.46 0.00 0.00 42.92 40.80 1qf7 s ASP 90 CO 0.65 -0.37 1.23 -0.67 0.52 0.00 0.00 175.17 176.52 1qf7 n ASP 91 N 4.61 3.46 -0.00 -0.34 2.03 -1.26 -4.09 116.55 120.96 1qf7 n ASP 91 Ca -0.02 -2.44 0.07 0.00 0.52 0.00 0.00 54.79 52.92 1qf7 n ASP 91 Cb 0.42 -0.55 -0.10 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 0.42 1.50 -4.05 -0.67 1.13 -1.26 -5.05 117.38 109.40 1qf7 n GLN 92 Ca 0.16 -0.06 -0.13 0.00 -1.94 0.00 0.00 57.00 55.03 1qf7 n GLN 92 Cb 0.72 -1.25 -0.12 0.00 0.11 0.00 0.00 30.24 29.70 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 -2.92 0.66 0.57 1.08 0.01 -1.26 -5.15 114.94 107.93 1qf7 s ASN 93 Ca 0.01 -0.43 -0.14 0.00 -0.71 0.00 0.00 52.86 51.58 1qf7 s ASN 93 Cb 0.10 0.03 -0.06 0.00 0.41 0.00 0.00 41.25 41.73 1qf7 s ASN 93 CO 0.60 -0.17 1.01 -0.44 -1.51 0.00 0.00 177.10 176.60 1qf7 s SER 94 N -1.23 6.32 -0.09 -1.22 0.01 -1.26 -4.97 113.70 111.26 1qf7 s SER 94 Ca -0.09 1.56 -0.28 0.00 1.31 0.00 0.00 55.95 58.45 1qf7 s SER 94 Cb -0.08 -2.50 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 1qf7 s SER 94 CO 0.00 -0.80 0.93 -0.22 0.41 0.00 0.00 173.24 173.57 1qf7 s LEU 95 N -4.54 4.27 0.14 2.44 2.96 -1.26 -5.03 118.68 117.66 1qf7 s LEU 95 Ca 0.58 1.45 0.03 0.00 -0.22 0.00 0.00 54.13 55.97 1qf7 s LEU 95 Cb -0.11 -3.44 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 1qf7 s LEU 95 CO 0.40 -0.36 -0.05 0.00 -1.32 0.00 0.00 176.35 175.02 1qf7 s ARG 96 N 1.69 1.01 -0.96 1.98 1.70 -1.26 -1.17 118.95 121.94 1qf7 s ARG 96 Ca 0.46 -1.45 -0.19 0.00 -0.47 0.00 0.00 55.73 54.08 1qf7 s ARG 96 Cb -0.18 -0.38 0.12 0.00 -0.57 0.00 0.00 34.95 33.93 1qf7 s ARG 96 CO 0.19 -0.02 1.21 0.00 -1.08 0.00 0.00 175.30 175.60 1qf7 s ALA 97 N -3.53 3.27 0.00 7.88 0.00 -0.98 -4.76 121.76 123.63 1qf7 s ALA 97 Ca 0.18 -2.70 0.00 0.00 0.00 0.00 0.00 51.96 49.44 1qf7 s ALA 97 Cb 0.05 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 19.01 1qf7 s ALA 97 CO 0.00 -3.10 0.00 0.41 0.00 0.00 0.00 175.76 173.07 1qf7 n GLY 98 N 5.71 0.49 0.00 0.00 0.00 -1.26 -3.43 105.19 106.70 1qf7 n GLY 98 Ca 0.27 -1.65 0.09 0.00 0.00 0.00 0.00 46.02 44.73 1qf7 n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qf7 n SER 99 N -0.60 0.00 -0.22 1.61 3.41 -1.26 -1.10 113.62 115.46 1qf7 n SER 99 Ca 0.00 0.44 0.07 0.00 -0.26 0.00 0.00 58.87 59.11 1qf7 n SER 99 Cb 0.00 -0.47 0.12 0.00 -0.26 0.00 0.00 64.21 63.60 1qf7 n SER 99 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1qf7 n ARG 100 N -1.47 2.12 -1.45 4.33 1.74 -1.26 -5.07 116.66 115.59 1qf7 n ARG 100 Ca 0.05 -2.29 -0.12 0.00 -0.77 0.00 0.00 57.85 54.72 1qf7 n ARG 100 Cb 0.22 -1.40 0.07 0.00 -1.02 0.00 0.00 32.46 30.33 1qf7 n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qf7 n GLY 101 N -0.89 0.26 3.79 -0.13 0.00 -0.26 -5.06 105.19 102.90 1qf7 n GLY 101 Ca 0.12 -1.93 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 1qf7 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qf7 s PRO 102 N -3.89 4.44 0.21 1.61 0.04 -1.26 -4.62 135.00 131.53 1qf7 s PRO 102 Ca 0.34 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 1qf7 s PRO 102 Cb -0.02 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 31.84 1qf7 s PRO 102 CO 0.23 0.14 1.25 0.99 0.04 0.00 0.00 177.00 179.65 1qf7 s THR 103 N -1.77 3.33 0.06 1.26 2.01 -1.26 -2.32 115.64 116.94 1qf7 s THR 103 Ca 0.54 1.14 -0.19 0.00 0.31 0.00 0.00 61.69 63.49 1qf7 s THR 103 Cb -0.16 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.56 1qf7 s THR 103 CO 0.21 0.19 0.55 -0.76 -0.69 0.00 0.00 174.62 174.12 1qf7 s LEU 104 N -0.40 4.52 0.55 4.42 1.43 -0.32 -4.95 118.68 123.93 1qf7 s LEU 104 Ca 0.54 1.22 0.22 0.00 -1.03 0.00 0.00 54.13 55.08 1qf7 s LEU 104 Cb -0.35 -2.85 1.52 0.00 0.03 0.00 0.00 46.19 44.54 1qf7 s LEU 104 CO 0.39 0.28 2.19 0.25 0.23 0.00 0.00 176.35 179.68 1qf7 h LEU 105 N 4.61 0.00 0.00 1.79 5.85 -1.95 -2.58 115.31 123.03 1qf7 h LEU 105 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1qf7 h LEU 105 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1qf7 h LEU 105 CO 0.63 0.00 0.00 -1.84 -0.34 0.00 0.00 178.44 176.89 1qf7 n GLU 106 N -4.22 0.12 -2.00 1.25 0.28 -1.26 -4.56 120.64 110.25 1qf7 n GLU 106 Ca -0.02 0.16 -0.26 0.00 -0.16 0.00 0.00 57.16 56.88 1qf7 n GLU 106 Cb 0.11 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.42 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 -2.80 4.83 0.40 -1.84 -1.08 -0.97 -4.77 116.67 110.44 1qf7 s ASP 107 Ca 0.12 -1.35 0.18 0.00 -0.52 0.00 0.00 52.55 50.98 1qf7 s ASP 107 Cb 0.12 -2.58 0.85 0.00 -1.46 0.00 0.00 42.92 39.85 1qf7 s ASP 107 CO 0.30 -3.24 1.84 2.19 0.52 0.00 0.00 175.17 176.78 1qf7 h PHE 108 N 10.32 0.00 0.11 -5.34 -0.00 -1.91 -2.48 116.94 117.64 1qf7 h PHE 108 Ca 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.13 1qf7 h PHE 108 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.91 1qf7 h PHE 108 CO 1.19 0.33 -0.05 0.82 -0.00 0.00 0.00 178.31 180.59 1qf7 h ILE 109 N 0.00 1.09 -0.00 0.88 2.04 -1.98 -1.69 117.51 117.84 1qf7 h ILE 109 Ca -0.00 -0.95 0.03 0.00 1.00 0.00 0.00 64.86 64.93 1qf7 h ILE 109 Cb 0.68 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 1qf7 h ILE 109 CO 0.04 0.22 -0.27 0.25 0.00 0.00 0.00 178.15 178.40 1qf7 h LEU 110 N -0.61 -0.80 -0.88 1.44 5.85 -1.92 -2.50 115.31 115.89 1qf7 h LEU 110 Ca -0.02 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.89 1qf7 h LEU 110 Cb 0.48 0.32 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 1qf7 h LEU 110 CO 0.03 -0.34 0.54 0.03 -0.34 0.00 0.00 178.44 178.36 1qf7 h ARG 111 N -0.41 0.93 -0.30 1.25 3.08 -1.43 -1.08 114.38 116.41 1qf7 h ARG 111 Ca 0.06 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1qf7 h ARG 111 Cb 0.50 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1qf7 h ARG 111 CO -0.23 0.61 -0.18 1.49 -1.07 0.00 0.00 179.97 180.59 1qf7 h GLU 112 N 0.95 0.65 0.02 0.04 4.81 -1.21 0.60 114.58 120.45 1qf7 h GLU 112 Ca 0.39 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1qf7 h GLU 112 Cb 0.24 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1qf7 h GLU 112 CO -0.20 0.89 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.74 1qf7 h LYS 113 N 0.40 -0.03 -0.46 1.92 3.64 -0.98 0.68 116.57 121.74 1qf7 h LYS 113 Ca 0.06 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1qf7 h LYS 113 Cb 0.72 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1qf7 h LYS 113 CO 0.05 0.01 -0.14 0.82 -2.27 0.00 0.00 179.45 177.92 1qf7 h ILE 114 N -0.06 1.27 -0.55 2.00 1.08 -1.24 -2.80 117.51 117.21 1qf7 h ILE 114 Ca -0.00 -1.28 0.01 0.00 -0.39 0.00 0.00 64.86 63.20 1qf7 h ILE 114 Cb 0.05 1.13 -0.03 0.00 -3.07 0.00 0.00 36.82 34.90 1qf7 h ILE 114 CO 0.00 0.44 0.36 0.74 -0.69 0.00 0.00 178.15 179.01 1qf7 h THR 115 N 0.76 1.14 -0.58 -0.27 2.02 -0.63 0.31 112.91 115.66 1qf7 h THR 115 Ca 0.11 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1qf7 h THR 115 Cb 0.70 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1qf7 h THR 115 CO 0.05 0.14 0.26 -0.74 0.37 0.00 0.00 175.52 175.60 1qf7 h HIS 116 N 0.74 0.85 0.36 3.16 -0.00 -0.85 -2.36 115.15 117.06 1qf7 h HIS 116 Ca 0.20 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.51 1qf7 h HIS 116 Cb -0.08 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.06 1qf7 h HIS 116 CO -0.04 0.67 -0.23 0.35 -0.00 0.00 0.00 177.93 178.68 1qf7 h PHE 117 N 0.79 -0.61 -0.87 5.26 3.57 -1.24 -2.31 116.94 121.52 1qf7 h PHE 117 Ca 0.20 -0.01 0.25 0.00 3.53 0.00 0.00 57.97 61.94 1qf7 h PHE 117 Cb 0.15 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1qf7 h PHE 117 CO 0.00 -0.36 0.70 -0.44 -2.23 0.00 0.00 178.31 175.98 1qf7 h ASP 118 N -0.58 0.00 -0.32 0.41 3.32 -0.17 -2.55 116.42 116.53 1qf7 h ASP 118 Ca -0.04 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 1qf7 h ASP 118 Cb 0.48 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.96 1qf7 h ASP 118 CO 0.03 0.00 -0.03 1.41 -1.72 0.00 0.00 179.24 178.93 1qf7 n HIS 119 N -4.02 1.02 -0.17 4.55 8.25 -0.89 -4.78 115.22 119.18 1qf7 n HIS 119 Ca 0.18 -1.32 -0.08 0.00 -0.26 0.00 0.00 57.72 56.24 1qf7 n HIS 119 Cb 1.01 -0.42 0.01 0.00 1.12 0.00 0.00 29.99 31.70 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 1.23 0.73 -6.90 -0.41 5.08 -1.19 -3.45 114.58 109.66 1qf7 h GLU 120 Ca 0.14 -0.13 -0.48 0.00 -1.00 0.00 0.00 59.36 57.89 1qf7 h GLU 120 Cb 1.58 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.72 1qf7 h GLU 120 CO 0.33 0.64 0.41 1.03 -1.00 0.00 0.00 179.01 180.42 1qf7 s ARG 121 N -5.58 4.38 0.17 2.33 1.81 -1.26 -5.09 118.95 115.73 1qf7 s ARG 121 Ca -0.13 1.53 0.09 0.00 -1.72 0.00 0.00 55.73 55.50 1qf7 s ARG 121 Cb 0.11 -2.76 -0.04 0.00 -0.45 0.00 0.00 34.95 31.81 1qf7 s ARG 121 CO 0.77 0.05 -0.19 0.96 -0.68 0.00 0.00 175.30 176.21 1qf7 s ILE 122 N -1.53 1.91 0.30 1.52 -4.36 -1.26 -5.11 121.20 112.67 1qf7 s ILE 122 Ca 0.53 -1.96 -0.28 0.00 -0.26 0.00 0.00 60.65 58.67 1qf7 s ILE 122 Cb -0.23 -1.90 -0.13 0.00 1.25 0.00 0.00 42.46 41.44 1qf7 s ILE 122 CO 0.30 -0.30 1.19 -2.65 0.24 0.00 0.00 174.94 173.71 1qf7 n PRO 123 N 0.23 1.78 -1.86 0.37 -0.02 -1.26 -5.00 135.00 129.24 1qf7 n PRO 123 Ca -0.13 0.62 -0.31 0.00 -2.02 0.00 0.00 63.50 61.67 1qf7 n PRO 123 Cb 0.57 -2.13 0.01 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.55 3.55 0.41 -0.52 -1.05 -1.26 -4.88 118.70 113.39 1qf7 s GLU 124 Ca 0.58 0.74 -0.26 0.00 -0.15 0.00 0.00 54.97 55.89 1qf7 s GLU 124 Cb -0.64 -2.07 -0.10 0.00 -0.44 0.00 0.00 34.13 30.87 1qf7 s GLU 124 CO 0.60 -0.61 1.28 0.54 0.95 0.00 0.00 175.26 178.02 1qf7 n ARG 125 N -2.77 1.98 -0.34 -4.83 1.74 -1.26 -4.90 116.66 106.28 1qf7 n ARG 125 Ca 0.06 0.70 -0.03 0.00 -0.77 0.00 0.00 57.85 57.81 1qf7 n ARG 125 Cb 0.54 -2.38 0.09 0.00 -1.02 0.00 0.00 32.46 29.69 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 2.18 1.24 -3.33 0.55 3.07 -1.98 -3.33 117.51 115.90 1qf7 h ILE 126 Ca -0.48 -0.44 -0.42 0.00 1.55 0.00 0.00 64.86 65.07 1qf7 h ILE 126 Cb 1.29 -0.10 -0.17 0.00 -0.27 0.00 0.00 36.82 37.58 1qf7 h ILE 126 CO 0.60 0.23 -0.75 0.68 -1.05 0.00 0.00 178.15 177.87 1qf7 s VAL 127 N -6.11 1.47 -1.49 0.16 -7.23 -1.26 -4.80 120.40 101.14 1qf7 s VAL 127 Ca -0.13 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 1qf7 s VAL 127 Cb 0.17 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.35 1qf7 s VAL 127 CO 0.81 -0.50 0.00 1.41 -0.31 0.00 0.00 175.10 176.50 1qf7 n HIS 128 N 0.15 -0.43 -0.13 2.82 8.25 -0.13 -4.89 115.22 120.87 1qf7 n HIS 128 Ca -0.12 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.46 1qf7 n HIS 128 Cb 0.58 -3.04 0.48 0.00 1.12 0.00 0.00 29.99 29.14 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 0.43 2.01 -2.39 -1.41 0.00 -1.70 -3.39 119.26 112.81 1qf7 h ALA 129 Ca -0.35 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 53.92 1qf7 h ALA 129 Cb 1.17 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.73 1qf7 h ALA 129 CO 0.46 -0.17 0.06 0.50 0.00 0.00 0.00 179.25 180.10 1qf7 s ARG 130 N -5.44 3.69 0.05 0.00 6.06 -1.25 -4.14 118.95 117.92 1qf7 s ARG 130 Ca -0.08 -0.00 -0.27 0.00 -2.50 0.00 0.00 55.73 52.88 1qf7 s ARG 130 Cb 0.20 -3.80 0.08 0.00 0.06 0.00 0.00 34.95 31.49 1qf7 s ARG 130 CO 0.76 -0.67 0.70 0.20 -2.50 0.00 0.00 175.30 173.79 1qf7 s GLY 131 N 1.76 -0.56 -0.03 8.12 0.00 -1.26 -0.78 107.32 114.58 1qf7 s GLY 131 Ca 0.22 0.92 0.05 0.00 0.00 0.00 0.00 44.72 45.91 1qf7 s GLY 131 CO 0.14 0.47 -0.18 -0.56 0.00 0.00 0.00 173.10 172.96 1qf7 s SER 132 N -2.16 2.21 0.11 1.64 0.01 0.51 -4.93 113.70 111.08 1qf7 s SER 132 Ca -0.02 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 56.91 1qf7 s SER 132 Cb -0.01 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.78 1qf7 s SER 132 CO -0.05 0.20 -0.06 0.00 0.41 0.00 0.00 173.24 173.75 1qf7 s ALA 133 N -0.25 1.04 0.05 1.44 0.00 -1.26 -0.27 121.76 122.50 1qf7 s ALA 133 Ca 0.03 -1.39 -0.21 0.00 0.00 0.00 0.00 51.96 50.39 1qf7 s ALA 133 Cb -0.09 0.22 0.05 0.00 0.00 0.00 0.00 23.12 23.30 1qf7 s ALA 133 CO 0.01 -0.25 0.48 0.00 0.00 0.00 0.00 175.76 176.00 1qf7 s ALA 134 N -3.63 -1.22 0.32 0.00 0.00 -0.65 -4.57 121.76 112.01 1qf7 s ALA 134 Ca 0.14 0.49 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 1qf7 s ALA 134 Cb 0.05 0.38 -0.08 0.00 0.00 0.00 0.00 23.12 23.48 1qf7 s ALA 134 CO -0.03 -0.50 0.70 -1.01 0.00 0.00 0.00 175.76 174.92 1qf7 s HIS 135 N -2.50 3.41 0.00 0.00 3.76 0.42 -0.81 115.29 119.57 1qf7 s HIS 135 Ca -0.05 1.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.94 1qf7 s HIS 135 Cb -0.01 -2.44 0.00 0.00 1.11 0.00 0.00 32.58 31.24 1qf7 s HIS 135 CO -0.02 0.08 0.00 0.41 -0.85 0.00 0.00 174.74 174.36 1qf7 n GLY 136 N -0.57 1.78 3.32 -2.22 0.00 -0.74 -1.46 105.19 105.30 1qf7 n GLY 136 Ca 0.02 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.15 -0.23 0.08 1.61 1.13 -0.49 -1.30 117.35 116.00 1qf7 s TYR 137 Ca 0.00 0.04 0.06 0.00 -1.41 0.00 0.00 57.07 55.76 1qf7 s TYR 137 Cb 0.00 0.24 -0.03 0.00 -1.10 0.00 0.00 41.96 41.07 1qf7 s TYR 137 CO 0.00 -0.64 -0.15 0.12 -2.51 0.00 0.00 175.55 172.37 1qf7 s PHE 138 N -3.20 1.32 -0.15 -3.49 5.36 0.79 -0.97 117.98 117.65 1qf7 s PHE 138 Ca -0.01 -0.45 -0.09 0.00 -0.96 0.00 0.00 56.93 55.42 1qf7 s PHE 138 Cb 0.01 -0.74 0.05 0.00 -0.34 0.00 0.00 43.02 42.00 1qf7 s PHE 138 CO -0.08 0.08 0.36 -1.14 -1.46 0.00 0.00 175.22 172.99 1qf7 s GLN 139 N -1.77 0.35 0.51 10.12 0.74 -0.82 -0.45 119.66 128.34 1qf7 s GLN 139 Ca -0.00 0.67 -0.18 0.00 0.05 0.00 0.00 55.36 55.89 1qf7 s GLN 139 Cb -0.10 -0.01 -0.07 0.00 1.10 0.00 0.00 33.01 33.93 1qf7 s GLN 139 CO 0.03 -0.14 1.02 -1.25 -0.55 0.00 0.00 175.29 174.39 1qf7 s PRO 140 N 1.15 3.77 0.20 1.67 0.04 -1.26 -1.81 135.00 138.75 1qf7 s PRO 140 Ca -0.08 1.20 -0.00 0.00 0.04 0.00 0.00 61.00 62.16 1qf7 s PRO 140 Cb -0.08 -2.10 0.13 0.00 0.04 0.00 0.00 34.50 32.49 1qf7 s PRO 140 CO -0.09 -0.44 1.49 1.88 0.04 0.00 0.00 177.00 179.88 1qf7 h TYR 141 N 1.18 0.53 -3.27 0.56 0.05 -1.57 -3.38 116.97 111.08 1qf7 h TYR 141 Ca -0.48 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.09 1qf7 h TYR 141 Cb 1.21 -0.09 -0.08 0.00 1.01 0.00 0.00 36.73 38.77 1qf7 h TYR 141 CO 0.59 0.93 0.07 -1.59 -1.05 0.00 0.00 178.16 177.12 1qf7 s LYS 142 N -3.77 1.55 0.30 4.88 -2.85 -1.26 -4.74 119.74 113.86 1qf7 s LYS 142 Ca -0.06 -0.98 -0.30 0.00 -1.00 0.00 0.00 55.97 53.64 1qf7 s LYS 142 Cb 0.11 0.54 -0.11 0.00 -2.06 0.00 0.00 37.83 36.31 1qf7 s LYS 142 CO 0.83 -0.68 1.56 0.45 0.10 0.00 0.00 175.35 177.61 1qf7 s SER 143 N -2.92 6.39 -0.17 0.03 0.15 -1.26 -4.65 113.70 111.28 1qf7 s SER 143 Ca 0.12 2.94 0.16 0.00 0.70 0.00 0.00 55.95 59.87 1qf7 s SER 143 Cb -0.03 -2.64 0.60 0.00 -1.71 0.00 0.00 66.02 62.25 1qf7 s SER 143 CO 0.03 -0.88 1.51 0.18 1.20 0.00 0.00 173.24 175.28 1qf7 n LEU 144 N 1.86 4.36 -0.43 3.45 4.77 -0.10 -4.75 117.00 126.17 1qf7 n LEU 144 Ca 0.07 -2.82 0.36 0.00 -0.03 0.00 0.00 56.01 53.58 1qf7 n LEU 144 Cb 0.38 -0.55 0.67 0.00 -2.33 0.00 0.00 43.42 41.59 1qf7 n LEU 144 CO 0.63 0.69 1.29 0.28 -1.33 0.00 0.00 177.39 178.95 1qf7 h SER 145 N 2.66 0.19 -0.08 -1.43 0.02 -1.75 -0.04 113.55 113.11 1qf7 h SER 145 Ca 0.00 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1qf7 h SER 145 Cb 1.51 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 64.09 1qf7 h SER 145 CO 0.27 -0.05 0.00 0.44 -1.14 0.00 0.00 176.83 176.35 1qf7 h ASP 146 N 0.12 0.22 0.00 3.07 3.32 -1.98 -3.32 116.42 117.85 1qf7 h ASP 146 Ca 0.72 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.65 1qf7 h ASP 146 Cb 2.43 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 41.91 1qf7 h ASP 146 CO -0.23 0.26 -1.63 2.30 -1.72 0.00 0.00 179.24 178.23 1qf7 n ILE 147 N -4.40 0.37 -3.83 0.35 -5.35 -0.14 -4.85 119.36 101.52 1qf7 n ILE 147 Ca -0.00 -0.36 -0.12 0.00 -0.27 0.00 0.00 62.75 62.00 1qf7 n ILE 147 Cb 0.17 -0.26 -0.11 0.00 -1.74 0.00 0.00 39.64 37.70 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 -2.51 0.04 -2.10 7.28 -1.32 -0.54 -3.30 115.64 113.18 1qf7 s THR 148 Ca -0.05 -0.30 0.17 0.00 -1.21 0.00 0.00 61.69 60.30 1qf7 s THR 148 Cb 0.05 -0.36 0.43 0.00 -1.51 0.00 0.00 72.50 71.11 1qf7 s THR 148 CO 0.45 -0.17 1.39 2.29 -2.21 0.00 0.00 174.62 176.38 1qf7 n LYS 149 N 2.27 2.06 -1.68 7.08 2.85 -0.46 -3.74 118.16 126.54 1qf7 n LYS 149 Ca -0.17 -1.64 -0.47 0.00 -1.05 0.00 0.00 58.31 54.98 1qf7 n LYS 149 Cb 0.57 -1.39 -0.04 0.00 -0.65 0.00 0.00 35.03 33.52 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 0.83 1.00 -0.09 0.58 0.00 -1.22 -4.68 120.51 116.92 1qf7 n ALA 150 Ca 0.16 0.27 0.01 0.00 0.00 0.00 0.00 53.44 53.89 1qf7 n ALA 150 Cb 0.40 -2.53 0.32 0.00 0.00 0.00 0.00 19.45 17.64 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 9.46 0.65 0.35 0.00 3.58 -1.91 -2.41 116.42 126.13 1qf7 h ASP 151 Ca -0.49 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 56.92 1qf7 h ASP 151 Cb 1.27 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1qf7 h ASP 151 CO 0.95 0.52 0.00 2.22 -2.88 0.00 0.00 179.24 180.05 1qf7 n PHE 152 N -4.41 0.63 -0.03 0.28 -1.74 -1.26 -1.79 117.46 109.14 1qf7 n PHE 152 Ca 0.05 0.28 0.04 0.00 -0.56 0.00 0.00 57.45 57.26 1qf7 n PHE 152 Cb 0.09 -0.96 0.10 0.00 1.52 0.00 0.00 39.48 40.23 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 -2.11 2.49 -0.05 5.98 4.77 -0.92 -4.65 117.00 122.52 1qf7 n LEU 153 Ca 0.01 -1.78 0.13 0.00 -0.03 0.00 0.00 56.01 54.34 1qf7 n LEU 153 Cb 0.12 -0.14 0.48 0.00 -2.33 0.00 0.00 43.42 41.55 1qf7 n LEU 153 CO 0.13 0.60 0.74 -1.54 -1.33 0.00 0.00 177.39 176.00 1qf7 n SER 154 N 0.32 0.38 -3.65 -1.43 3.41 -0.74 -0.92 113.62 111.00 1qf7 n SER 154 Ca 0.08 -0.18 -0.07 0.00 -0.26 0.00 0.00 58.87 58.44 1qf7 n SER 154 Cb 0.35 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.80 -0.91 0.49 4.04 -1.08 -1.26 -4.53 116.67 110.61 1qf7 s ASP 155 Ca 0.18 1.46 0.33 0.00 -0.52 0.00 0.00 52.55 54.00 1qf7 s ASP 155 Cb 0.19 1.38 1.67 0.00 -1.46 0.00 0.00 42.92 44.70 1qf7 s ASP 155 CO 0.57 -0.23 2.00 1.55 0.52 0.00 0.00 175.17 179.58 1qf7 h PRO 156 N 7.07 0.00 -0.01 4.34 0.13 -1.83 -1.65 132.00 140.05 1qf7 h PRO 156 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 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 0.17 0.00 -0.62 0.09 -0.23 0.00 0.00 178.00 177.41 1qf7 n ASN 157 N -2.73 1.15 -4.62 1.44 3.02 -1.26 -4.52 115.26 107.74 1qf7 n ASN 157 Ca -0.01 -0.94 -0.43 0.00 -0.03 0.00 0.00 54.58 53.17 1qf7 n ASN 157 Cb 0.13 0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 39.81 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 -2.78 3.92 -0.16 3.52 2.20 -0.62 -5.04 119.74 120.79 1qf7 s LYS 158 Ca 0.14 0.86 -0.13 0.00 -0.36 0.00 0.00 55.97 56.48 1qf7 s LYS 158 Cb 0.17 -3.81 -0.05 0.00 -1.51 0.00 0.00 37.83 32.64 1qf7 s LYS 158 CO 0.69 -1.10 0.26 0.42 -0.36 0.00 0.00 175.35 175.26 1qf7 s ILE 159 N 3.99 5.32 -0.25 5.43 -1.09 -1.26 -4.49 121.20 128.85 1qf7 s ILE 159 Ca 0.46 0.49 -0.05 0.00 -2.23 0.00 0.00 60.65 59.32 1qf7 s ILE 159 Cb -0.10 -3.60 -0.00 0.00 -1.58 0.00 0.00 42.46 37.18 1qf7 s ILE 159 CO 0.22 0.41 0.02 -0.89 -1.23 0.00 0.00 174.94 173.47 1qf7 s THR 160 N 0.33 3.69 0.52 2.92 2.01 0.40 -4.96 115.64 120.55 1qf7 s THR 160 Ca 0.15 -0.55 -0.23 0.00 0.31 0.00 0.00 61.69 61.38 1qf7 s THR 160 Cb -0.13 -2.78 -0.06 0.00 0.01 0.00 0.00 72.50 69.55 1qf7 s THR 160 CO 0.03 0.28 1.38 -2.84 -0.69 0.00 0.00 174.62 172.78 1qf7 s PRO 161 N 1.50 3.27 0.13 4.92 0.02 -1.26 -0.15 135.00 143.42 1qf7 s PRO 161 Ca 0.04 2.30 0.02 0.00 0.02 0.00 0.00 61.00 63.38 1qf7 s PRO 161 Cb -0.16 -2.36 -0.04 0.00 0.02 0.00 0.00 34.50 31.96 1qf7 s PRO 161 CO -0.00 -1.11 -0.04 0.14 -0.33 0.00 0.00 177.00 175.65 1qf7 s VAL 162 N -1.27 0.71 -0.09 3.83 -7.23 -0.42 -1.55 120.40 114.38 1qf7 s VAL 162 Ca 0.69 -1.96 -0.00 0.00 -1.81 0.00 0.00 61.98 58.90 1qf7 s VAL 162 Cb -0.42 -1.86 0.02 0.00 0.56 0.00 0.00 36.38 34.68 1qf7 s VAL 162 CO 0.51 -0.71 -0.06 0.12 -0.31 0.00 0.00 175.10 174.65 1qf7 s PHE 163 N -3.63 1.16 -0.04 2.82 5.36 -0.81 -1.79 117.98 121.05 1qf7 s PHE 163 Ca 0.17 -0.49 0.06 0.00 -0.96 0.00 0.00 56.93 55.71 1qf7 s PHE 163 Cb 0.05 -1.02 -0.02 0.00 -0.34 0.00 0.00 43.02 41.69 1qf7 s PHE 163 CO -0.01 -0.40 -0.22 0.08 -1.46 0.00 0.00 175.22 173.22 1qf7 s VAL 164 N 1.57 2.43 -0.10 3.12 1.01 0.01 -0.94 120.40 127.49 1qf7 s VAL 164 Ca 0.01 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.06 1qf7 s VAL 164 Cb -0.13 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.37 1qf7 s VAL 164 CO -0.05 0.58 -0.19 -0.60 0.00 0.00 0.00 175.10 174.85 1qf7 s ARG 165 N -0.58 2.49 0.13 2.72 3.52 0.25 -1.64 118.95 125.85 1qf7 s ARG 165 Ca 0.08 -0.68 0.05 0.00 -0.13 0.00 0.00 55.73 55.05 1qf7 s ARG 165 Cb -0.11 -1.99 -0.04 0.00 -1.56 0.00 0.00 34.95 31.26 1qf7 s ARG 165 CO 0.00 0.06 0.10 -0.06 -0.81 0.00 0.00 175.30 174.58 1qf7 s PHE 166 N 0.65 3.13 0.37 5.12 0.08 0.63 -2.07 117.98 125.88 1qf7 s PHE 166 Ca -0.13 0.00 -0.15 0.00 0.12 0.00 0.00 56.93 56.77 1qf7 s PHE 166 Cb -0.16 -1.54 0.04 0.00 -0.57 0.00 0.00 43.02 40.79 1qf7 s PHE 166 CO 0.04 0.52 0.74 -1.54 -0.10 0.00 0.00 175.22 174.88 1qf7 s SER 167 N -2.80 0.07 0.19 1.36 1.04 -0.85 -0.36 113.70 112.34 1qf7 s SER 167 Ca 0.30 -1.12 0.03 0.00 0.48 0.00 0.00 55.95 55.63 1qf7 s SER 167 Cb -0.11 0.82 0.03 0.00 0.10 0.00 0.00 66.02 66.85 1qf7 s SER 167 CO 0.22 -1.61 0.22 0.35 0.98 0.00 0.00 173.24 173.41 1qf7 n THR 168 N -0.52 0.00 -0.05 2.02 -2.24 0.04 0.04 114.28 113.57 1qf7 n THR 168 Ca -0.07 -0.67 -0.10 0.00 -2.27 0.00 0.00 64.05 60.94 1qf7 n THR 168 Cb 0.60 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.24 0.55 -0.03 2.28 0.31 -1.22 -3.98 118.33 115.00 1qf7 n VAL 169 Ca 0.03 -0.12 -0.16 0.00 -0.01 0.00 0.00 64.34 64.08 1qf7 n VAL 169 Cb 0.20 -1.64 -0.13 0.00 -0.91 0.00 0.00 33.84 31.37 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 -0.35 0.13 -7.31 5.55 -0.00 -1.95 -0.32 115.11 110.86 1qf7 h GLN 170 Ca -0.24 -0.17 -0.51 0.00 -0.00 0.00 0.00 58.65 57.73 1qf7 h GLN 170 Cb 1.19 0.06 0.10 0.00 0.00 0.00 0.00 27.48 28.84 1qf7 h GLN 170 CO -0.15 1.00 0.35 0.20 0.00 0.00 0.00 178.83 180.24 1qf7 s GLY 171 N -4.11 1.73 1.13 2.39 0.00 -1.26 -4.78 107.32 102.42 1qf7 s GLY 171 Ca -0.17 0.19 -0.17 0.00 0.00 0.00 0.00 44.72 44.58 1qf7 s GLY 171 CO 0.74 0.51 1.12 -0.32 0.00 0.00 0.00 173.10 175.15 1qf7 s GLY 172 N -3.53 1.58 0.52 0.20 0.00 -1.26 -3.78 107.32 101.06 1qf7 s GLY 172 Ca 0.60 -0.79 0.22 0.00 0.00 0.00 0.00 44.72 44.75 1qf7 s GLY 172 CO 0.53 0.01 2.13 0.00 0.00 0.00 0.00 173.10 175.76 1qf7 h ALA 173 N -2.33 1.64 -0.49 3.20 0.00 -1.95 -0.70 119.26 118.63 1qf7 h ALA 173 Ca -0.48 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1qf7 h ALA 173 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1qf7 h ALA 173 CO 0.42 0.09 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1qf7 n GLY 174 N -1.17 2.09 3.95 0.00 0.00 -1.26 -4.74 105.19 104.06 1qf7 n GLY 174 Ca -0.03 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.79 4.01 0.52 1.61 1.04 -0.27 -5.06 113.70 114.75 1qf7 s SER 175 Ca 0.39 0.12 -0.13 0.00 0.48 0.00 0.00 55.95 56.81 1qf7 s SER 175 Cb 0.25 -0.45 -0.06 0.00 0.10 0.00 0.00 66.02 65.86 1qf7 s SER 175 CO 0.19 -2.12 0.94 0.00 0.98 0.00 0.00 173.24 173.22 1qf7 s ALA 176 N -3.46 3.15 -0.05 5.32 0.00 -1.26 -4.94 121.76 120.52 1qf7 s ALA 176 Ca 0.67 -0.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.38 1qf7 s ALA 176 Cb -0.06 -2.99 -0.24 0.00 0.00 0.00 0.00 23.12 19.83 1qf7 s ALA 176 CO 0.48 -0.32 1.01 -0.44 0.00 0.00 0.00 175.76 176.48 1qf7 h ASP 177 N 0.60 0.24 -0.42 0.00 3.32 -1.23 -3.38 116.42 115.55 1qf7 h ASP 177 Ca -0.46 -0.80 -0.25 0.00 0.02 0.00 0.00 57.03 55.54 1qf7 h ASP 177 Cb 1.19 -0.07 -0.12 0.00 0.22 0.00 0.00 39.33 40.54 1qf7 h ASP 177 CO 0.62 1.01 0.32 0.35 -1.72 0.00 0.00 179.24 179.82 1qf7 n THR 178 N -4.47 2.32 -1.35 0.35 -2.24 -1.26 -4.92 114.28 102.70 1qf7 n THR 178 Ca -0.10 -1.17 -0.30 0.00 -2.27 0.00 0.00 64.05 60.21 1qf7 n THR 178 Cb 0.53 -1.08 0.12 0.00 -2.10 0.00 0.00 70.33 67.80 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 -1.70 2.75 -0.31 2.28 -7.23 -1.26 -4.39 120.40 110.54 1qf7 s VAL 179 Ca 0.25 0.25 -0.23 0.00 -1.81 0.00 0.00 61.98 60.44 1qf7 s VAL 179 Cb 0.21 -2.84 -0.00 0.00 0.56 0.00 0.00 36.38 34.31 1qf7 s VAL 179 CO 0.02 -0.32 0.76 -0.60 -0.31 0.00 0.00 175.10 174.65 1qf7 s ARG 180 N -5.03 3.95 0.12 4.82 3.52 -1.26 -4.55 118.95 120.51 1qf7 s ARG 180 Ca 0.63 0.53 -0.25 0.00 -0.13 0.00 0.00 55.73 56.50 1qf7 s ARG 180 Cb -0.16 -3.73 0.08 0.00 -1.56 0.00 0.00 34.95 29.58 1qf7 s ARG 180 CO 0.56 -0.67 1.09 0.34 -0.81 0.00 0.00 175.30 175.81 1qf7 s ASP 181 N 1.63 -0.05 0.61 -2.12 -1.08 -0.79 -4.54 116.67 110.33 1qf7 s ASP 181 Ca 0.31 -0.46 -0.12 0.00 -0.52 0.00 0.00 52.55 51.76 1qf7 s ASP 181 Cb -0.14 0.40 -0.04 0.00 -1.46 0.00 0.00 42.92 41.67 1qf7 s ASP 181 CO 0.12 -0.77 1.03 -0.63 0.52 0.00 0.00 175.17 175.44 1qf7 s ILE 182 N -2.48 4.65 -0.06 4.11 -1.09 -1.26 -4.52 121.20 120.57 1qf7 s ILE 182 Ca 0.19 0.92 0.04 0.00 -2.23 0.00 0.00 60.65 59.57 1qf7 s ILE 182 Cb -0.01 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 1qf7 s ILE 182 CO 0.02 -1.07 -0.17 -0.13 -1.23 0.00 0.00 174.94 172.36 1qf7 s ARG 183 N -5.02 2.56 0.38 2.79 1.81 -1.26 -3.41 118.95 116.79 1qf7 s ARG 183 Ca 0.56 -0.75 -0.09 0.00 -1.72 0.00 0.00 55.73 53.72 1qf7 s ARG 183 Cb -0.11 -2.34 -0.06 0.00 -0.45 0.00 0.00 34.95 31.99 1qf7 s ARG 183 CO 0.51 0.54 0.72 0.20 -0.68 0.00 0.00 175.30 176.59 1qf7 s GLY 184 N -0.53 1.94 -0.38 -3.53 0.00 0.11 -0.67 107.32 104.27 1qf7 s GLY 184 Ca 0.07 -0.27 0.05 0.00 0.00 0.00 0.00 44.72 44.57 1qf7 s GLY 184 CO 0.01 -0.10 0.47 -0.12 0.00 0.00 0.00 173.10 173.36 1qf7 s PHE 185 N -2.29 -0.86 -0.14 1.90 2.19 0.52 -2.01 117.98 117.30 1qf7 s PHE 185 Ca 0.50 -0.34 -0.03 0.00 0.33 0.00 0.00 56.93 57.39 1qf7 s PHE 185 Cb -0.10 -0.14 -0.03 0.00 -1.31 0.00 0.00 43.02 41.44 1qf7 s PHE 185 CO 0.30 -1.04 -0.06 0.00 1.83 0.00 0.00 175.22 176.25 1qf7 s ALA 186 N 1.68 2.94 -0.10 11.12 0.00 -0.88 -1.37 121.76 135.15 1qf7 s ALA 186 Ca 0.16 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1qf7 s ALA 186 Cb -0.11 -1.46 0.02 0.00 0.00 0.00 0.00 23.12 21.57 1qf7 s ALA 186 CO -0.07 0.27 -0.12 0.99 0.00 0.00 0.00 175.76 176.83 1qf7 s THR 187 N 0.20 1.24 -0.31 0.00 2.01 -0.26 -0.58 115.64 117.93 1qf7 s THR 187 Ca -0.03 -0.47 -0.10 0.00 0.31 0.00 0.00 61.69 61.39 1qf7 s THR 187 Cb -0.14 -1.17 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 1qf7 s THR 187 CO 0.03 0.39 0.17 -0.75 -0.69 0.00 0.00 174.62 173.78 1qf7 s LYS 188 N 1.20 3.48 -0.32 4.92 2.20 -0.12 -0.83 119.74 130.28 1qf7 s LYS 188 Ca -0.04 -0.63 -0.12 0.00 -0.36 0.00 0.00 55.97 54.82 1qf7 s LYS 188 Cb -0.14 -3.62 -0.03 0.00 -1.51 0.00 0.00 37.83 32.53 1qf7 s LYS 188 CO -0.03 -0.37 0.22 -0.06 -0.36 0.00 0.00 175.35 174.74 1qf7 s PHE 189 N 1.66 3.22 -1.20 4.03 0.40 0.52 -1.93 117.98 124.68 1qf7 s PHE 189 Ca 0.05 -0.13 -0.14 0.00 -0.60 0.00 0.00 56.93 56.11 1qf7 s PHE 189 Cb -0.17 -2.44 0.16 0.00 0.51 0.00 0.00 43.02 41.08 1qf7 s PHE 189 CO 0.08 -0.30 1.45 0.71 0.70 0.00 0.00 175.22 177.85 1qf7 s TYR 190 N 1.73 3.40 0.70 0.36 2.02 -0.60 -1.58 117.35 123.38 1qf7 s TYR 190 Ca 0.06 -2.04 -0.08 0.00 -0.37 0.00 0.00 57.07 54.64 1qf7 s TYR 190 Cb -0.17 -4.36 0.05 0.00 -0.40 0.00 0.00 41.96 37.08 1qf7 s TYR 190 CO 0.10 -1.45 1.03 0.95 -1.57 0.00 0.00 175.55 174.61 1qf7 s THR 191 N 1.93 2.66 -0.53 -0.71 -4.23 -0.94 -4.36 115.64 109.45 1qf7 s THR 191 Ca 0.43 -0.08 0.25 0.00 -1.18 0.00 0.00 61.69 61.11 1qf7 s THR 191 Cb -0.02 -3.15 0.27 0.00 1.34 0.00 0.00 72.50 70.94 1qf7 s THR 191 CO 0.00 -0.17 1.75 -0.33 -0.54 0.00 0.00 174.62 175.33 1qf7 h GLU 192 N -0.59 0.00 -0.07 3.99 5.08 -1.95 -3.00 114.58 118.04 1qf7 h GLU 192 Ca -0.45 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 1qf7 h GLU 192 Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1qf7 h GLU 192 CO 0.62 0.00 -0.19 0.39 -1.00 0.00 0.00 179.01 178.83 1qf7 n GLU 193 N -2.33 1.62 0.00 2.33 1.02 -1.26 -4.84 120.64 117.18 1qf7 n GLU 193 Ca 0.03 -2.95 0.00 0.00 -0.02 0.00 0.00 57.16 54.23 1qf7 n GLU 193 Cb 0.32 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.19 3.30 3.75 0.62 0.00 -1.13 -4.77 105.19 105.77 1qf7 n GLY 194 Ca 0.20 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.38 3.62 -0.17 -0.61 -1.09 -1.26 -2.23 121.20 117.09 1qf7 s ILE 195 Ca 0.00 1.56 0.01 0.00 -2.23 0.00 0.00 60.65 59.99 1qf7 s ILE 195 Cb 0.00 -4.00 0.02 0.00 -1.58 0.00 0.00 42.46 36.91 1qf7 s ILE 195 CO 0.00 0.34 -0.17 0.12 -1.23 0.00 0.00 174.94 174.00 1qf7 s PHE 196 N -0.90 2.49 -0.21 3.97 5.36 -0.61 -4.36 117.98 123.71 1qf7 s PHE 196 Ca 0.46 -1.45 -0.09 0.00 -0.96 0.00 0.00 56.93 54.89 1qf7 s PHE 196 Cb -0.31 -1.76 -0.04 0.00 -0.34 0.00 0.00 43.02 40.56 1qf7 s PHE 196 CO 0.39 -0.74 0.10 -0.51 -1.46 0.00 0.00 175.22 173.00 1qf7 s ASP 197 N 1.38 5.78 -0.43 6.13 1.01 -0.44 -0.35 116.67 129.75 1qf7 s ASP 197 Ca 0.05 0.07 -0.07 0.00 0.71 0.00 0.00 52.55 53.31 1qf7 s ASP 197 Cb -0.13 -2.02 0.10 0.00 1.01 0.00 0.00 42.92 41.89 1qf7 s ASP 197 CO -0.12 0.11 0.26 -0.22 0.21 0.00 0.00 175.17 175.42 1qf7 s LEU 198 N 0.76 5.34 -0.74 1.23 2.96 -0.01 -4.48 118.68 123.75 1qf7 s LEU 198 Ca 0.05 -1.82 -0.12 0.00 -0.22 0.00 0.00 54.13 52.02 1qf7 s LEU 198 Cb -0.13 -1.93 0.19 0.00 0.50 0.00 0.00 46.19 44.82 1qf7 s LEU 198 CO 0.02 -0.59 0.66 -0.69 -1.32 0.00 0.00 176.35 174.43 1qf7 s VAL 199 N 1.30 5.12 0.33 1.68 1.01 -1.26 -1.10 120.40 127.48 1qf7 s VAL 199 Ca 0.05 -2.46 0.00 0.00 0.00 0.00 0.00 61.98 59.58 1qf7 s VAL 199 Cb -0.24 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 31.93 1qf7 s VAL 199 CO -0.01 -0.97 0.00 0.61 0.00 0.00 0.00 175.10 174.73 1qf7 n GLY 200 N 4.03 3.79 2.11 4.51 0.00 -0.47 -4.90 105.19 114.25 1qf7 n GLY 200 Ca 0.09 -2.31 -0.18 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.20 2.03 -1.39 1.61 3.02 -0.84 -0.35 115.26 118.14 1qf7 n ASN 201 Ca -0.13 -2.33 0.10 0.00 -0.03 0.00 0.00 54.58 52.19 1qf7 n ASN 201 Cb 0.41 0.41 0.32 0.00 -0.61 0.00 0.00 39.78 40.31 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 -1.44 4.06 -4.15 6.41 6.94 0.16 -1.00 115.26 126.24 1qf7 n ASN 202 Ca -0.08 -2.19 -0.18 0.00 -0.02 0.00 0.00 54.58 52.11 1qf7 n ASN 202 Cb 0.38 -0.51 -0.12 0.00 -2.36 0.00 0.00 39.78 37.17 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 -1.42 1.01 -1.93 5.53 -4.23 -1.26 -4.56 115.64 108.78 1qf7 s THR 203 Ca 0.47 -1.20 0.32 0.00 -1.18 0.00 0.00 61.69 60.10 1qf7 s THR 203 Cb 0.27 -0.97 0.86 0.00 1.34 0.00 0.00 72.50 74.00 1qf7 s THR 203 CO 0.28 -0.20 2.20 -0.81 -0.54 0.00 0.00 174.62 175.55 1qf7 n PRO 204 N 1.45 0.93 -4.28 3.99 -0.04 -1.26 -4.59 135.00 131.19 1qf7 n PRO 204 Ca -0.21 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.10 1qf7 n PRO 204 Cb 0.54 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.07 0.44 0.44 0.52 -0.00 -1.26 -4.54 121.20 114.73 1qf7 s ILE 205 Ca 0.46 -1.99 0.06 0.00 -0.00 0.00 0.00 60.65 59.18 1qf7 s ILE 205 Cb 0.22 -2.52 -0.04 0.00 -0.00 0.00 0.00 42.46 40.12 1qf7 s ILE 205 CO 0.38 -0.08 0.19 0.12 -0.00 0.00 0.00 174.94 175.55 1qf7 s PHE 206 N -3.84 2.39 0.25 1.37 5.36 -0.37 -4.88 117.98 118.28 1qf7 s PHE 206 Ca 0.36 -0.66 0.09 0.00 -0.96 0.00 0.00 56.93 55.75 1qf7 s PHE 206 Cb 0.07 -1.92 0.29 0.00 -0.34 0.00 0.00 43.02 41.12 1qf7 s PHE 206 CO 0.12 0.10 1.57 0.74 -1.46 0.00 0.00 175.22 176.29 1qf7 h PHE 207 N 1.33 0.06 -2.94 10.12 0.04 -1.89 -3.38 116.94 120.28 1qf7 h PHE 207 Ca -0.42 -0.03 -0.44 0.00 2.80 0.00 0.00 57.97 59.89 1qf7 h PHE 207 Cb 1.27 -0.01 -0.14 0.00 2.20 0.00 0.00 35.95 39.26 1qf7 h PHE 207 CO 0.77 0.68 -0.70 0.96 -0.60 0.00 0.00 178.31 179.42 1qf7 s ILE 208 N -3.56 1.54 -0.20 -0.55 -4.36 -1.26 -2.60 121.20 110.20 1qf7 s ILE 208 Ca -0.02 -2.14 0.03 0.00 -0.26 0.00 0.00 60.65 58.27 1qf7 s ILE 208 Cb 0.12 -2.17 -0.21 0.00 1.25 0.00 0.00 42.46 41.45 1qf7 s ILE 208 CO 0.77 -0.50 0.05 0.00 0.24 0.00 0.00 174.94 175.51 1qf7 n GLN 209 N -0.42 0.68 -5.28 0.37 6.02 -1.26 -4.57 117.38 112.93 1qf7 n GLN 209 Ca -0.07 0.16 -0.31 0.00 -0.01 0.00 0.00 57.00 56.77 1qf7 n GLN 209 Cb 0.62 -1.59 -0.16 0.00 1.02 0.00 0.00 30.24 30.13 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 -6.44 3.01 0.48 1.08 -1.08 -1.26 -2.53 116.67 109.93 1qf7 s ASP 210 Ca -0.25 -0.48 0.18 0.00 -0.52 0.00 0.00 52.55 51.48 1qf7 s ASP 210 Cb 0.08 -0.47 1.19 0.00 -1.46 0.00 0.00 42.92 42.25 1qf7 s ASP 210 CO 0.70 0.29 2.01 0.00 0.52 0.00 0.00 175.17 178.69 1qf7 h ALA 211 N 5.66 2.18 -0.19 3.66 0.00 -1.72 -2.05 119.26 126.79 1qf7 h ALA 211 Ca -0.40 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.56 1qf7 h ALA 211 Cb 1.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1qf7 h ALA 211 CO 0.47 -0.30 0.23 1.25 0.00 0.00 0.00 179.25 180.90 1qf7 h HIS 212 N 0.21 0.00 -0.09 0.00 6.17 -1.95 0.48 115.15 119.97 1qf7 h HIS 212 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.31 1qf7 h HIS 212 Cb 0.63 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.56 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 -3.70 1.97 -0.18 5.26 5.02 -0.77 -4.53 118.16 121.23 1qf7 n LYS 213 Ca 0.02 -1.43 -0.03 0.00 -2.02 0.00 0.00 58.31 54.85 1qf7 n LYS 213 Cb 0.35 -1.46 0.07 0.00 -0.02 0.00 0.00 35.03 33.97 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 3.27 0.45 -0.62 2.13 3.57 -1.01 -0.44 116.94 124.29 1qf7 h PHE 214 Ca 0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1qf7 h PHE 214 Cb 0.70 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1qf7 h PHE 214 CO 0.05 0.19 0.18 -1.35 -2.23 0.00 0.00 178.31 175.15 1qf7 h PRO 215 N 0.47 0.95 0.10 6.41 0.11 -1.80 0.59 132.00 138.84 1qf7 h PRO 215 Ca 0.25 -0.19 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1qf7 h PRO 215 Cb 0.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1qf7 h PRO 215 CO -0.21 0.83 -0.05 -0.44 -0.21 0.00 0.00 178.00 177.92 1qf7 h ASP 216 N 0.92 -0.12 -0.25 -2.05 3.32 -1.65 0.26 116.42 116.86 1qf7 h ASP 216 Ca 0.20 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1qf7 h ASP 216 Cb 0.29 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1qf7 h ASP 216 CO -0.01 0.03 0.15 0.15 -1.72 0.00 0.00 179.24 177.85 1qf7 h PHE 217 N -0.26 0.32 -0.63 4.55 3.57 -0.74 -1.49 116.94 122.26 1qf7 h PHE 217 Ca -0.01 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 1qf7 h PHE 217 Cb 0.21 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1qf7 h PHE 217 CO -0.03 0.23 0.10 0.28 -2.23 0.00 0.00 178.31 176.66 1qf7 h VAL 218 N 0.32 1.26 -0.59 1.41 2.07 -0.81 -1.31 116.25 118.60 1qf7 h VAL 218 Ca 0.09 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1qf7 h VAL 218 Cb -0.01 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1qf7 h VAL 218 CO -0.02 0.38 0.30 0.45 0.02 0.00 0.00 177.57 178.70 1qf7 h HIS 219 N 0.96 0.81 -0.44 1.57 3.86 -0.32 0.71 115.15 122.29 1qf7 h HIS 219 Ca 0.19 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.28 1qf7 h HIS 219 Cb 0.43 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1qf7 h HIS 219 CO 0.03 0.58 -0.14 0.00 0.86 0.00 0.00 177.93 179.27 1qf7 h ALA 220 N 1.51 0.61 0.01 2.45 0.00 -0.66 -3.13 119.26 120.05 1qf7 h ALA 220 Ca 0.21 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 1qf7 h ALA 220 Cb 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1qf7 h ALA 220 CO -0.03 0.53 -0.96 -0.24 0.00 0.00 0.00 179.25 178.55 1qf7 h VAL 221 N 0.71 1.64 -3.69 0.00 3.04 -0.73 -2.70 116.25 114.51 1qf7 h VAL 221 Ca 0.11 -3.14 -0.44 0.00 -1.01 0.00 0.00 66.70 62.22 1qf7 h VAL 221 Cb 0.69 2.73 0.17 0.00 -2.01 0.00 0.00 31.29 32.87 1qf7 h VAL 221 CO 0.05 0.90 0.15 -0.54 -1.01 0.00 0.00 177.57 177.12 1qf7 s LYS 222 N -2.87 -0.32 0.37 4.17 -0.14 0.19 -4.68 119.74 116.46 1qf7 s LYS 222 Ca -0.00 0.31 -0.28 0.00 -1.36 0.00 0.00 55.97 54.64 1qf7 s LYS 222 Cb 0.10 -1.67 -0.11 0.00 -1.68 0.00 0.00 37.83 34.47 1qf7 s LYS 222 CO 0.82 -3.19 1.41 -2.30 -0.76 0.00 0.00 175.35 171.33 1qf7 n PRO 223 N -4.46 2.44 -2.10 -1.68 -0.02 -1.26 -4.79 135.00 123.14 1qf7 n PRO 223 Ca 0.08 0.86 -0.41 0.00 -2.02 0.00 0.00 63.50 62.01 1qf7 n PRO 223 Cb 0.58 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 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 -2.04 4.34 0.44 -0.52 2.02 0.27 -4.71 118.70 118.51 1qf7 s GLU 224 Ca 0.54 2.23 0.15 0.00 0.02 0.00 0.00 54.97 57.91 1qf7 s GLU 224 Cb -0.51 -3.08 1.00 0.00 0.10 0.00 0.00 34.13 31.64 1qf7 s GLU 224 CO 0.63 -0.22 1.97 -1.00 0.02 0.00 0.00 175.26 176.66 1qf7 h PRO 225 N 3.58 0.00 -0.07 0.39 0.13 -1.90 0.31 132.00 134.43 1qf7 h PRO 225 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1qf7 h PRO 225 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1qf7 h PRO 225 CO 0.67 0.21 -0.06 1.12 -0.23 0.00 0.00 178.00 179.70 1qf7 h HIS 226 N 0.00 0.19 0.00 1.56 2.07 -1.97 -3.39 115.15 113.62 1qf7 h HIS 226 Ca -0.00 -0.06 0.00 0.00 -2.85 0.00 0.00 60.37 57.46 1qf7 h HIS 226 Cb 0.38 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 30.32 1qf7 h HIS 226 CO 0.00 0.60 0.00 -2.67 -3.07 0.00 0.00 177.93 172.79 1qf7 n TRP 227 N -4.72 0.00 -3.78 6.12 4.27 -1.19 -5.04 117.44 113.10 1qf7 n TRP 227 Ca -0.07 -0.31 -0.28 0.00 -3.89 0.00 0.00 57.50 52.95 1qf7 n TRP 227 Cb 0.30 -0.03 0.02 0.00 -1.36 0.00 0.00 31.31 30.24 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 -0.31 -2.30 -2.84 -1.67 0.00 0.11 -4.97 120.51 108.52 1qf7 n ALA 228 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 1qf7 n ALA 228 Cb 0.16 -2.94 -0.13 0.00 0.00 0.00 0.00 19.45 16.55 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 -3.66 0.32 0.22 0.00 1.01 -1.25 -4.69 121.20 113.15 1qf7 s ILE 229 Ca 0.25 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.43 1qf7 s ILE 229 Cb -0.09 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 42.01 1qf7 s ILE 229 CO 0.87 -0.14 0.24 -2.16 0.00 0.00 0.00 174.94 173.74 1qf7 s PRO 230 N -0.72 3.12 -0.01 2.79 0.04 -1.26 -0.56 135.00 138.40 1qf7 s PRO 230 Ca -0.05 -0.89 -0.24 0.00 0.04 0.00 0.00 61.00 59.87 1qf7 s PRO 230 Cb -0.05 -2.71 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 1qf7 s PRO 230 CO -0.00 0.44 0.72 -1.14 0.04 0.00 0.00 177.00 177.06 1qf7 s GLN 231 N -3.69 4.45 -1.05 4.56 2.00 -1.26 -4.00 119.66 120.67 1qf7 s GLN 231 Ca 0.33 0.95 0.00 0.00 -2.00 0.00 0.00 55.36 54.64 1qf7 s GLN 231 Cb -0.09 -3.40 0.00 0.00 0.80 0.00 0.00 33.01 30.32 1qf7 s GLN 231 CO 0.26 0.19 0.00 0.41 -0.50 0.00 0.00 175.29 175.65 1qf7 n GLY 232 N 2.73 1.02 2.93 2.59 0.00 -1.26 -5.00 105.19 108.20 1qf7 n GLY 232 Ca -0.02 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.05 0.07 0.00 1.61 -0.21 -1.26 -4.46 119.66 112.37 1qf7 s GLN 233 Ca 0.00 0.11 0.26 0.00 0.02 0.00 0.00 55.36 55.75 1qf7 s GLN 233 Cb 0.00 0.02 0.65 0.00 1.00 0.00 0.00 33.01 34.68 1qf7 s GLN 233 CO 0.00 -0.02 1.51 -1.13 -2.12 0.00 0.00 175.29 173.53 1qf7 n SER 234 N 3.13 1.58 -3.92 5.90 3.41 -1.26 -4.71 113.62 117.76 1qf7 n SER 234 Ca -0.13 -1.32 -0.41 0.00 -0.26 0.00 0.00 58.87 56.75 1qf7 n SER 234 Cb 0.59 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.64 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 -0.04 3.75 -3.38 7.33 0.00 -1.26 -4.64 120.51 122.27 1qf7 n ALA 235 Ca 0.14 -3.50 -0.12 0.00 0.00 0.00 0.00 53.44 49.96 1qf7 n ALA 235 Cb 0.40 -3.58 -0.03 0.00 0.00 0.00 0.00 19.45 16.24 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 5.34 -0.51 0.20 0.00 -3.43 -1.26 -4.73 115.29 110.89 1qf7 s HIS 236 Ca 0.56 0.35 -0.11 0.00 -0.80 0.00 0.00 55.06 55.05 1qf7 s HIS 236 Cb 0.11 0.52 0.27 0.00 -1.43 0.00 0.00 32.58 32.04 1qf7 s HIS 236 CO 0.06 -0.81 1.69 -0.44 -2.00 0.00 0.00 174.74 173.24 1qf7 h ASP 237 N 2.13 -0.10 -0.33 7.38 5.19 -1.88 -2.93 116.42 125.87 1qf7 h ASP 237 Ca -0.33 0.12 -0.06 0.00 -0.62 0.00 0.00 57.03 56.14 1qf7 h ASP 237 Cb 1.29 0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.97 1qf7 h ASP 237 CO 0.39 -0.03 0.01 0.71 -3.12 0.00 0.00 179.24 177.20 1qf7 h THR 238 N 0.19 1.22 0.33 0.35 1.35 -1.94 -1.39 112.91 113.03 1qf7 h THR 238 Ca 0.30 -0.90 -0.02 0.00 -0.55 0.00 0.00 66.41 65.25 1qf7 h THR 238 Cb 0.45 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1qf7 h THR 238 CO -0.43 0.31 -0.16 0.15 -0.25 0.00 0.00 175.52 175.15 1qf7 h PHE 239 N 0.64 -0.41 0.00 4.73 3.57 -1.29 -2.34 116.94 121.84 1qf7 h PHE 239 Ca 0.13 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1qf7 h PHE 239 Cb 0.39 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1qf7 h PHE 239 CO 0.02 -0.22 -0.23 -1.49 -2.23 0.00 0.00 178.31 174.16 1qf7 h TRP 240 N -0.51 0.00 0.19 0.41 4.06 -1.52 -0.33 115.95 118.25 1qf7 h TRP 240 Ca -0.05 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.90 1qf7 h TRP 240 Cb 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.55 1qf7 h TRP 240 CO -0.04 0.23 -0.09 0.22 -3.56 0.00 0.00 178.44 175.20 1qf7 h ASP 241 N 0.00 -0.21 -0.14 -3.49 3.58 -1.21 -1.17 116.42 113.77 1qf7 h ASP 241 Ca -0.00 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1qf7 h ASP 241 Cb 0.72 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 1qf7 h ASP 241 CO 0.03 0.08 0.09 0.22 -2.88 0.00 0.00 179.24 176.78 1qf7 h TYR 242 N -0.52 0.18 -0.75 0.28 5.03 -1.05 -2.18 116.97 117.95 1qf7 h TYR 242 Ca -0.03 0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.38 1qf7 h TYR 242 Cb 0.39 -0.06 -0.07 0.00 1.55 0.00 0.00 36.73 38.54 1qf7 h TYR 242 CO 0.01 0.11 0.40 0.28 -1.32 0.00 0.00 178.16 177.64 1qf7 h VAL 243 N 0.19 0.87 0.00 1.81 2.07 -1.08 -0.33 116.25 119.78 1qf7 h VAL 243 Ca 0.05 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1qf7 h VAL 243 Cb -0.02 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1qf7 h VAL 243 CO -0.01 0.12 -0.24 0.77 0.02 0.00 0.00 177.57 178.23 1qf7 h SER 244 N 0.67 0.00 0.13 0.57 4.64 -0.65 -2.40 113.55 116.51 1qf7 h SER 244 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1qf7 h SER 244 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1qf7 h SER 244 CO -0.26 0.24 -0.67 0.18 -0.87 0.00 0.00 176.83 175.44 1qf7 n LEU 245 N -3.43 1.15 -3.49 5.97 4.77 -0.74 -4.71 117.00 116.52 1qf7 n LEU 245 Ca -0.00 -0.43 -0.27 0.00 -0.03 0.00 0.00 56.01 55.28 1qf7 n LEU 245 Cb 0.43 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.34 1qf7 n LEU 245 CO 0.34 0.25 -0.26 -1.10 -1.33 0.00 0.00 177.39 175.28 1qf7 s GLN 246 N -2.81 1.21 0.47 3.23 -1.52 -0.21 -4.99 119.66 115.04 1qf7 s GLN 246 Ca 0.13 -2.35 0.31 0.00 -1.95 0.00 0.00 55.36 51.51 1qf7 s GLN 246 Cb 0.17 -1.81 1.71 0.00 -0.22 0.00 0.00 33.01 32.86 1qf7 s GLN 246 CO 0.72 -1.37 1.96 -1.00 -0.25 0.00 0.00 175.29 175.35 1qf7 h PRO 247 N 5.61 0.00 -0.42 2.91 0.13 -1.84 -1.36 132.00 137.03 1qf7 h PRO 247 Ca 0.24 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.49 1qf7 h PRO 247 Cb 0.88 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 1qf7 h PRO 247 CO 0.44 0.00 0.35 1.05 -0.23 0.00 0.00 178.00 179.60 1qf7 h GLU 248 N 0.00 0.00 0.00 0.86 4.11 -1.88 -1.77 114.58 115.90 1qf7 h GLU 248 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1qf7 h GLU 248 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 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 -0.93 -1.06 1.35 -0.98 -3.34 112.91 107.95 1qf7 h THR 249 Ca 0.20 -0.51 0.08 0.00 -0.55 0.00 0.00 66.41 65.62 1qf7 h THR 249 Cb 0.89 1.45 -0.06 0.00 -1.73 0.00 0.00 68.15 68.69 1qf7 h THR 249 CO -0.00 0.00 0.60 -0.07 -0.25 0.00 0.00 175.52 175.80 1qf7 h LEU 250 N 0.00 0.91 0.19 3.87 3.38 -1.52 -1.50 115.31 120.64 1qf7 h LEU 250 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1qf7 h LEU 250 Cb 0.55 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1qf7 h LEU 250 CO 0.00 0.56 -0.09 -0.74 0.09 0.00 0.00 178.44 178.26 1qf7 h HIS 251 N 1.02 -0.24 0.00 1.13 2.76 -1.81 -1.12 115.15 116.89 1qf7 h HIS 251 Ca 0.41 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.51 1qf7 h HIS 251 Cb 0.26 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 1qf7 h HIS 251 CO -0.00 -0.08 -0.29 -0.97 -1.30 0.00 0.00 177.93 175.28 1qf7 h ASN 252 N -0.34 0.00 -0.48 3.26 -0.00 -1.73 -2.36 115.58 113.94 1qf7 h ASN 252 Ca -0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.24 1qf7 h ASN 252 Cb 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.56 1qf7 h ASN 252 CO 0.04 0.29 0.19 0.58 -0.00 0.00 0.00 177.43 178.53 1qf7 h VAL 253 N 0.00 1.21 -0.66 2.57 2.07 -0.82 -0.58 116.25 120.05 1qf7 h VAL 253 Ca -0.00 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 66.90 1qf7 h VAL 253 Cb 0.65 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1qf7 h VAL 253 CO 0.04 0.25 0.38 0.24 0.02 0.00 0.00 177.57 178.50 1qf7 h MET 254 N 0.64 0.69 -0.52 1.57 2.86 -0.69 0.32 114.93 119.80 1qf7 h MET 254 Ca 0.16 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1qf7 h MET 254 Cb 0.21 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1qf7 h MET 254 CO -0.01 0.46 0.28 -1.49 1.06 0.00 0.00 176.91 177.21 1qf7 h TRP 255 N 0.72 0.73 -0.60 -0.22 4.06 -1.17 -1.69 115.95 117.77 1qf7 h TRP 255 Ca 0.28 -0.02 -0.06 0.00 2.06 0.00 0.00 58.89 61.15 1qf7 h TRP 255 Cb 0.13 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 28.03 1qf7 h TRP 255 CO -0.07 0.55 0.12 0.00 -3.56 0.00 0.00 178.44 175.48 1qf7 h ALA 256 N 1.11 1.08 0.00 1.49 0.00 -0.53 -2.30 119.26 120.12 1qf7 h ALA 256 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1qf7 h ALA 256 Cb 0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1qf7 h ALA 256 CO -0.03 0.61 -0.05 0.52 0.00 0.00 0.00 179.25 180.30 1qf7 h MET 257 N 0.91 0.00 -7.63 0.00 2.86 -0.56 -3.32 114.93 107.19 1qf7 h MET 257 Ca 0.19 0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.40 1qf7 h MET 257 Cb 0.36 0.00 0.17 0.00 0.06 0.00 0.00 31.60 32.20 1qf7 h MET 257 CO 0.00 0.05 0.30 -1.54 1.06 0.00 0.00 176.91 176.78 1qf7 s SER 258 N -6.00 2.18 0.00 1.22 1.04 -0.67 -4.13 113.70 107.34 1qf7 s SER 258 Ca 0.04 0.44 0.14 0.00 0.48 0.00 0.00 55.95 57.05 1qf7 s SER 258 Cb 0.07 -0.58 0.64 0.00 0.10 0.00 0.00 66.02 66.25 1qf7 s SER 258 CO 0.62 -3.33 1.43 0.47 0.98 0.00 0.00 173.24 173.41 1qf7 n ASP 259 N -4.19 0.00 -0.02 7.02 8.00 -1.26 -1.48 116.55 124.61 1qf7 n ASP 259 Ca 0.14 0.37 0.09 0.00 0.71 0.00 0.00 54.79 56.09 1qf7 n ASP 259 Cb 0.59 -0.43 0.49 0.00 -0.02 0.00 0.00 41.12 41.75 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 0.41 0.00 -1.24 2.47 -1.88 -1.50 114.38 112.64 1qf7 h ARG 260 Ca 0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1qf7 h ARG 260 Cb 0.21 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1qf7 h ARG 260 CO 0.00 0.27 0.00 0.41 0.56 0.00 0.00 179.97 181.21 1qf7 n GLY 261 N -1.51 -0.88 2.26 0.04 0.00 -0.55 -3.90 105.19 100.66 1qf7 n GLY 261 Ca 0.06 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.28 0.07 -0.92 -0.61 -5.35 -0.56 -1.88 119.36 108.83 1qf7 n ILE 262 Ca 0.09 -4.39 -0.32 0.00 -0.27 0.00 0.00 62.75 57.85 1qf7 n ILE 262 Cb 0.14 -1.62 0.15 0.00 -1.74 0.00 0.00 39.64 36.57 1qf7 n ILE 262 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1qf7 s PRO 263 N -1.75 1.33 0.19 6.28 0.04 -1.25 -0.94 135.00 138.90 1qf7 s PRO 263 Ca 0.37 1.68 0.08 0.00 0.04 0.00 0.00 61.00 63.18 1qf7 s PRO 263 Cb 0.21 -1.75 0.04 0.00 0.04 0.00 0.00 34.50 33.04 1qf7 s PRO 263 CO -0.09 -2.43 1.43 -0.09 0.04 0.00 0.00 177.00 175.86 1qf7 h ARG 264 N -1.35 0.00 -2.14 4.56 9.65 -1.47 -3.39 114.38 120.25 1qf7 h ARG 264 Ca -0.45 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.46 1qf7 h ARG 264 Cb 1.28 0.00 -0.18 0.00 -1.39 0.00 0.00 29.97 29.69 1qf7 h ARG 264 CO 0.44 0.83 0.37 0.45 2.80 0.00 0.00 179.97 184.86 1qf7 s SER 265 N -6.77 -0.49 0.62 -3.80 0.15 -1.26 -4.94 113.70 97.20 1qf7 s SER 265 Ca -0.00 0.32 0.41 0.00 0.70 0.00 0.00 55.95 57.38 1qf7 s SER 265 Cb 0.11 0.45 2.18 0.00 -1.71 0.00 0.00 66.02 67.05 1qf7 s SER 265 CO 0.80 -0.61 2.26 1.88 1.20 0.00 0.00 173.24 178.76 1qf7 h TYR 266 N 2.44 0.00 0.00 3.44 0.05 -1.91 -0.86 116.97 120.13 1qf7 h TYR 266 Ca -0.25 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.50 1qf7 h TYR 266 Cb 1.20 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.94 1qf7 h TYR 266 CO 0.30 0.00 -0.14 0.00 -1.05 0.00 0.00 178.16 177.27 1qf7 h ARG 267 N 0.00 0.00 -1.13 4.88 3.08 -1.96 -3.36 114.38 115.90 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 0.07 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 29.70 1qf7 h ARG 267 CO 0.00 0.14 -0.68 0.25 -1.07 0.00 0.00 179.97 178.61 1qf7 n THR 268 N -3.18 2.52 -4.06 2.04 -2.24 -0.33 -4.28 114.28 104.76 1qf7 n THR 268 Ca 0.02 -4.50 -0.08 0.00 -2.27 0.00 0.00 64.05 57.22 1qf7 n THR 268 Cb 0.49 -1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 67.42 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 -3.59 0.53 0.47 -0.78 0.23 -1.25 -1.44 119.30 113.47 1qf7 s MET 269 Ca 0.50 -1.01 -0.01 0.00 -1.03 0.00 0.00 55.69 54.15 1qf7 s MET 269 Cb 0.41 0.10 -0.00 0.00 -1.53 0.00 0.00 34.83 33.81 1qf7 s MET 269 CO -0.07 -0.07 0.71 -1.21 -2.03 0.00 0.00 175.02 172.34 1qf7 s GLU 270 N -2.97 3.07 0.07 3.16 2.02 -1.26 -4.29 118.70 118.50 1qf7 s GLU 270 Ca -0.01 -0.39 0.03 0.00 0.02 0.00 0.00 54.97 54.61 1qf7 s GLU 270 Cb 0.01 -2.51 -0.03 0.00 0.10 0.00 0.00 34.13 31.69 1qf7 s GLU 270 CO -0.06 -0.32 -0.09 0.20 0.02 0.00 0.00 175.26 175.02 1qf7 s GLY 271 N -4.22 0.66 -0.09 -1.39 0.00 -0.77 -4.14 107.32 97.37 1qf7 s GLY 271 Ca 0.49 -1.00 -0.12 0.00 0.00 0.00 0.00 44.72 44.08 1qf7 s GLY 271 CO 0.39 -1.07 0.32 -1.36 0.00 0.00 0.00 173.10 171.38 1qf7 s PHE 272 N -2.09 -0.29 -0.25 1.90 0.40 -0.17 -1.35 117.98 116.13 1qf7 s PHE 272 Ca -0.01 0.66 0.23 0.00 -0.60 0.00 0.00 56.93 57.21 1qf7 s PHE 272 Cb -0.05 0.11 0.50 0.00 0.51 0.00 0.00 43.02 44.08 1qf7 s PHE 272 CO -0.01 -0.25 1.65 0.78 0.70 0.00 0.00 175.22 178.10 1qf7 h GLY 273 N 5.01 0.00 0.00 4.36 0.00 -1.51 -2.24 103.07 108.70 1qf7 h GLY 273 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1qf7 h GLY 273 CO 0.33 0.00 0.00 1.39 0.00 0.00 0.00 176.54 178.26 1qf7 n ILE 274 N -3.15 0.00 -1.50 2.60 5.41 -1.26 -4.82 119.36 116.64 1qf7 n ILE 274 Ca 0.03 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.45 1qf7 n ILE 274 Cb 0.53 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.53 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 2.50 -0.08 1.39 3.76 -1.26 -4.91 115.29 116.69 1qf7 s HIS 275 Ca 0.00 1.57 -0.27 0.00 -0.15 0.00 0.00 55.06 56.21 1qf7 s HIS 275 Cb 0.00 -3.16 -0.03 0.00 1.11 0.00 0.00 32.58 30.50 1qf7 s HIS 275 CO 0.00 -1.86 0.86 0.99 -0.85 0.00 0.00 174.74 173.88 1qf7 s THR 276 N -2.52 4.91 0.38 1.30 2.01 -1.26 -4.58 115.64 115.88 1qf7 s THR 276 Ca 0.66 1.76 0.01 0.00 0.31 0.00 0.00 61.69 64.43 1qf7 s THR 276 Cb -0.20 -4.19 0.01 0.00 0.01 0.00 0.00 72.50 68.13 1qf7 s THR 276 CO 0.48 0.13 0.09 0.49 -0.69 0.00 0.00 174.62 175.12 1qf7 n PHE 277 N 4.36 0.35 -4.80 4.92 3.01 0.18 -4.32 117.46 121.16 1qf7 n PHE 277 Ca 0.04 -1.78 -0.28 0.00 1.01 0.00 0.00 57.45 56.44 1qf7 n PHE 277 Cb 0.50 -0.27 -0.14 0.00 -0.01 0.00 0.00 39.48 39.56 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 -3.42 1.61 -0.15 -1.08 0.52 -0.16 -1.11 118.95 115.17 1qf7 s ARG 278 Ca 0.07 -1.02 -0.08 0.00 -0.52 0.00 0.00 55.73 54.18 1qf7 s ARG 278 Cb -0.01 -1.75 -0.04 0.00 0.52 0.00 0.00 34.95 33.67 1qf7 s ARG 278 CO 0.04 0.45 0.12 -0.51 0.02 0.00 0.00 175.30 175.42 1qf7 s LEU 279 N -1.18 4.22 -0.15 2.53 1.43 0.19 -0.95 118.68 124.76 1qf7 s LEU 279 Ca 0.10 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 1qf7 s LEU 279 Cb -0.09 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.10 1qf7 s LEU 279 CO 0.02 0.32 -0.18 -0.63 0.23 0.00 0.00 176.35 176.10 1qf7 s ILE 280 N -0.46 1.85 0.60 -0.59 -1.09 -0.28 -1.52 121.20 119.71 1qf7 s ILE 280 Ca 0.12 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.72 1qf7 s ILE 280 Cb -0.12 -1.68 0.12 0.00 -1.58 0.00 0.00 42.46 39.20 1qf7 s ILE 280 CO 0.02 0.51 0.82 -0.46 -1.23 0.00 0.00 174.94 174.59 1qf7 n ASN 281 N 4.47 1.18 0.26 3.58 0.23 -0.95 -1.35 115.26 122.68 1qf7 n ASN 281 Ca -0.19 -1.97 0.15 0.00 -0.53 0.00 0.00 54.58 52.03 1qf7 n ASN 281 Cb 0.51 -0.52 0.65 0.00 -2.08 0.00 0.00 39.78 38.34 1qf7 n ASN 281 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1qf7 h ALA 282 N -0.52 1.04 -0.01 -2.53 0.00 -1.88 -1.69 119.26 113.68 1qf7 h ALA 282 Ca -0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1qf7 h ALA 282 Cb 1.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1qf7 h ALA 282 CO 0.30 0.10 -0.06 0.39 0.00 0.00 0.00 179.25 179.98 1qf7 n GLU 283 N -3.25 1.03 -0.83 0.00 4.71 -1.26 -4.77 120.64 116.27 1qf7 n GLU 283 Ca -0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 57.16 56.77 1qf7 n GLU 283 Cb 0.32 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 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 1.19 0.57 3.72 0.62 0.00 -0.63 -5.04 105.19 105.62 1qf7 n GLY 284 Ca 0.18 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.36 4.53 -0.14 1.61 2.20 -1.26 -4.80 119.74 121.52 1qf7 s LYS 285 Ca 0.00 1.69 -0.12 0.00 -0.36 0.00 0.00 55.97 57.19 1qf7 s LYS 285 Cb 0.00 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.94 1qf7 s LYS 285 CO 0.00 -0.07 0.24 0.00 -0.36 0.00 0.00 175.35 175.16 1qf7 s ALA 286 N 0.43 3.68 -0.09 3.13 0.00 -1.26 -2.24 121.76 125.41 1qf7 s ALA 286 Ca 0.53 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 52.02 1qf7 s ALA 286 Cb -0.28 -2.26 -0.00 0.00 0.00 0.00 0.00 23.12 20.58 1qf7 s ALA 286 CO 0.32 0.26 -0.24 0.99 0.00 0.00 0.00 175.76 177.09 1qf7 s THR 287 N -0.04 2.01 0.31 0.00 2.01 -0.57 -4.29 115.64 115.06 1qf7 s THR 287 Ca 0.15 -1.00 -0.28 0.00 0.31 0.00 0.00 61.69 60.87 1qf7 s THR 287 Cb -0.13 -1.73 -0.09 0.00 0.01 0.00 0.00 72.50 70.55 1qf7 s THR 287 CO 0.04 0.55 1.10 -0.36 -0.69 0.00 0.00 174.62 175.26 1qf7 s PHE 288 N 0.29 3.46 -0.00 4.92 0.08 -0.17 -0.64 117.98 125.91 1qf7 s PHE 288 Ca -0.17 1.67 0.00 0.00 0.12 0.00 0.00 56.93 58.55 1qf7 s PHE 288 Cb -0.17 -3.28 0.00 0.00 -0.57 0.00 0.00 43.02 39.00 1qf7 s PHE 288 CO 0.08 -0.68 0.00 0.54 -0.10 0.00 0.00 175.22 175.06 1qf7 s VAL 289 N -1.27 0.00 -0.11 -0.44 0.11 -0.27 -1.16 120.40 117.27 1qf7 s VAL 289 Ca 0.48 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.57 1qf7 s VAL 289 Cb -0.30 -0.02 -0.00 0.00 -1.53 0.00 0.00 36.38 34.52 1qf7 s VAL 289 CO 0.39 0.01 -0.21 -0.13 -3.33 0.00 0.00 175.10 171.83 1qf7 s ARG 290 N 0.09 3.13 0.12 1.54 0.52 -0.64 -0.64 118.95 123.07 1qf7 s ARG 290 Ca -0.01 -0.83 -0.17 0.00 -0.52 0.00 0.00 55.73 54.20 1qf7 s ARG 290 Cb -0.01 -2.40 -0.07 0.00 0.52 0.00 0.00 34.95 32.99 1qf7 s ARG 290 CO -0.00 0.16 0.58 -0.06 0.02 0.00 0.00 175.30 175.99 1qf7 s PHE 291 N 0.42 3.69 0.02 -0.53 0.08 -1.26 -1.42 117.98 118.98 1qf7 s PHE 291 Ca -0.15 1.18 0.00 0.00 0.12 0.00 0.00 56.93 58.08 1qf7 s PHE 291 Cb -0.17 -2.45 -0.02 0.00 -0.57 0.00 0.00 43.02 39.81 1qf7 s PHE 291 CO 0.07 0.48 -0.04 -1.01 -0.10 0.00 0.00 175.22 174.62 1qf7 s HIS 292 N -1.33 0.31 -0.11 0.36 3.76 -0.44 -1.35 115.29 116.50 1qf7 s HIS 292 Ca 0.35 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.76 1qf7 s HIS 292 Cb -0.17 -0.21 0.02 0.00 1.11 0.00 0.00 32.58 33.32 1qf7 s HIS 292 CO 0.19 -0.17 -0.14 -1.58 -0.85 0.00 0.00 174.74 172.19 1qf7 s TRP 293 N -1.41 1.88 -0.24 1.40 0.52 -0.45 -0.31 118.94 120.33 1qf7 s TRP 293 Ca -0.15 -0.90 -0.09 0.00 0.02 0.00 0.00 56.10 54.98 1qf7 s TRP 293 Cb -0.10 -1.39 -0.04 0.00 -1.15 0.00 0.00 33.47 30.79 1qf7 s TRP 293 CO -0.01 -0.49 0.13 0.21 0.02 0.00 0.00 176.95 176.81 1qf7 s LYS 294 N 1.11 3.96 -0.24 4.98 2.20 -0.11 -1.84 119.74 129.79 1qf7 s LYS 294 Ca -0.04 -0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 54.94 1qf7 s LYS 294 Cb -0.14 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 1qf7 s LYS 294 CO -0.03 0.02 1.30 -1.25 -0.36 0.00 0.00 175.35 175.03 1qf7 s PRO 295 N 1.12 4.04 0.42 4.03 0.04 -1.26 -0.44 135.00 142.94 1qf7 s PRO 295 Ca 0.06 1.44 0.29 0.00 0.04 0.00 0.00 61.00 62.83 1qf7 s PRO 295 Cb -0.14 -3.84 1.22 0.00 0.04 0.00 0.00 34.50 31.78 1qf7 s PRO 295 CO 0.04 -0.96 1.87 -0.07 0.04 0.00 0.00 177.00 177.92 1qf7 h LEU 296 N 10.45 0.00 0.00 -3.56 3.38 -1.32 -1.88 115.31 122.37 1qf7 h LEU 296 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1qf7 h LEU 296 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1qf7 h LEU 296 CO 1.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.54 1qf7 n ALA 297 N -1.94 2.63 0.00 1.53 0.00 -1.26 -4.91 120.51 116.55 1qf7 n ALA 297 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1qf7 n ALA 297 Cb 0.26 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 1.08 -0.30 3.76 0.00 0.00 -0.71 -3.92 105.19 105.11 1qf7 n GLY 298 Ca 0.21 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.95 4.15 -0.27 1.61 1.02 -1.26 -4.23 119.74 118.81 1qf7 s LYS 299 Ca 0.00 0.21 -0.21 0.00 0.02 0.00 0.00 55.97 56.00 1qf7 s LYS 299 Cb 0.00 -3.37 0.07 0.00 -0.52 0.00 0.00 37.83 34.01 1qf7 s LYS 299 CO 0.00 0.35 0.70 0.00 -0.92 0.00 0.00 175.35 175.48 1qf7 s ALA 300 N 0.08 -1.82 0.21 5.17 0.00 -0.52 -4.88 121.76 120.01 1qf7 s ALA 300 Ca 0.20 2.21 0.06 0.00 0.00 0.00 0.00 51.96 54.42 1qf7 s ALA 300 Cb -0.14 -1.29 -0.05 0.00 0.00 0.00 0.00 23.12 21.64 1qf7 s ALA 300 CO 0.07 -0.36 -0.09 -1.12 0.00 0.00 0.00 175.76 174.26 1qf7 s SER 301 N 0.96 2.30 0.94 0.00 0.01 -1.26 -1.32 113.70 115.33 1qf7 s SER 301 Ca -0.05 -1.09 -0.08 0.00 1.31 0.00 0.00 55.95 56.04 1qf7 s SER 301 Cb -0.05 -0.09 0.12 0.00 0.21 0.00 0.00 66.02 66.21 1qf7 s SER 301 CO -0.09 -0.31 0.71 0.18 0.41 0.00 0.00 173.24 174.15 1qf7 n LEU 302 N -0.39 0.00 -4.58 2.44 4.77 -0.12 -4.64 117.00 114.48 1qf7 n LEU 302 Ca -0.07 -0.86 -0.27 0.00 -0.03 0.00 0.00 56.01 54.77 1qf7 n LEU 302 Cb 0.62 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 1qf7 n LEU 302 CO 0.36 -0.99 -0.40 0.68 -1.33 0.00 0.00 177.39 175.70 1qf7 s VAL 303 N -2.47 3.28 0.17 4.08 -7.23 -1.26 -4.93 120.40 112.04 1qf7 s VAL 303 Ca 0.41 -1.55 -0.18 0.00 -1.81 0.00 0.00 61.98 58.85 1qf7 s VAL 303 Cb -0.01 -2.61 0.11 0.00 0.56 0.00 0.00 36.38 34.43 1qf7 s VAL 303 CO 0.29 -0.07 1.65 -0.25 -0.31 0.00 0.00 175.10 176.41 1qf7 h TRP 304 N 3.03 -0.37 -0.82 2.82 2.91 -1.97 -1.47 115.95 120.08 1qf7 h TRP 304 Ca -0.47 0.04 0.05 0.00 1.13 0.00 0.00 58.89 59.64 1qf7 h TRP 304 Cb 1.20 0.23 -0.05 0.00 -0.51 0.00 0.00 29.16 30.02 1qf7 h TRP 304 CO 0.64 -0.24 0.51 0.22 -1.03 0.00 0.00 178.44 178.54 1qf7 h ASP 305 N -0.06 0.82 -0.01 2.65 3.58 -1.99 0.04 116.42 121.44 1qf7 h ASP 305 Ca 0.21 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 1qf7 h ASP 305 Cb 0.38 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.26 1qf7 h ASP 305 CO -0.47 0.55 0.00 -0.08 -2.88 0.00 0.00 179.24 176.36 1qf7 h GLU 306 N 0.96 0.02 -0.12 0.28 4.81 -1.88 -1.39 114.58 117.27 1qf7 h GLU 306 Ca 0.34 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.60 1qf7 h GLU 306 Cb 0.09 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1qf7 h GLU 306 CO -0.14 0.25 -0.12 0.00 -0.73 0.00 0.00 179.01 178.26 1qf7 h ALA 307 N 0.77 -0.04 -0.10 2.92 0.00 -0.87 0.62 119.26 122.56 1qf7 h ALA 307 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1qf7 h ALA 307 Cb 0.24 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1qf7 h ALA 307 CO 0.00 -0.58 0.06 0.37 0.00 0.00 0.00 179.25 179.10 1qf7 h GLN 308 N -0.15 0.14 -0.54 0.00 4.15 -0.98 -1.98 115.11 115.74 1qf7 h GLN 308 Ca 0.08 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 1qf7 h GLN 308 Cb 0.28 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1qf7 h GLN 308 CO -0.21 0.14 0.24 -0.22 -1.93 0.00 0.00 178.83 176.86 1qf7 h LYS 309 N 0.09 0.77 0.00 1.69 3.64 -0.99 -2.26 116.57 119.51 1qf7 h LYS 309 Ca 0.04 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1qf7 h LYS 309 Cb 0.04 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1qf7 h LYS 309 CO -0.01 0.61 -0.21 1.25 -2.27 0.00 0.00 179.45 178.82 1qf7 h LEU 310 N 0.77 0.00 -1.70 5.20 5.85 -0.48 0.00 115.31 124.94 1qf7 h LEU 310 Ca 0.19 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1qf7 h LEU 310 Cb 0.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1qf7 h LEU 310 CO -0.02 0.21 -0.10 0.71 -0.34 0.00 0.00 178.44 178.90 1qf7 h THR 311 N 0.00 1.10 0.01 1.05 1.35 -0.74 0.19 112.91 115.87 1qf7 h THR 311 Ca -0.00 -0.45 -0.17 0.00 -0.55 0.00 0.00 66.41 65.24 1qf7 h THR 311 Cb 0.40 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 1qf7 h THR 311 CO 0.03 0.13 -0.93 1.23 -0.25 0.00 0.00 175.52 175.73 1qf7 h GLY 312 N 0.42 0.01 2.00 5.82 0.00 -1.24 -3.19 103.07 106.90 1qf7 h GLY 312 Ca 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 1qf7 h GLY 312 CO 0.01 0.03 -0.29 3.21 0.00 0.00 0.00 176.54 179.50 1qf7 h ARG 313 N -0.97 0.00 -1.17 4.80 2.47 -0.92 -3.40 114.38 115.19 1qf7 h ARG 313 Ca -0.25 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.30 1qf7 h ARG 313 Cb 1.25 0.00 -0.20 0.00 -1.65 0.00 0.00 29.97 29.37 1qf7 h ARG 313 CO -0.14 0.29 -0.52 0.34 0.56 0.00 0.00 179.97 180.50 1qf7 s ASP 314 N -6.73 -1.07 0.00 7.04 2.15 0.04 -5.01 116.67 113.10 1qf7 s ASP 314 Ca -0.03 -1.46 0.07 0.00 0.43 0.00 0.00 52.55 51.56 1qf7 s ASP 314 Cb 0.14 1.66 0.32 0.00 -0.30 0.00 0.00 42.92 44.74 1qf7 s ASP 314 CO 0.69 -0.12 1.22 -0.81 -0.17 0.00 0.00 175.17 175.98 1qf7 n PRO 315 N 3.59 0.01 -0.85 4.34 -0.04 -1.21 -2.22 135.00 138.63 1qf7 n PRO 315 Ca 0.16 0.35 -0.06 0.00 -0.04 0.00 0.00 63.50 63.91 1qf7 n PRO 315 Cb 0.55 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.73 1qf7 n PRO 315 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qf7 n ASP 316 N -1.47 3.21 -0.26 3.54 8.00 -1.26 -0.69 116.55 127.61 1qf7 n ASP 316 Ca 0.02 -3.56 -0.06 0.00 0.71 0.00 0.00 54.79 51.90 1qf7 n ASP 316 Cb 0.08 -0.67 0.05 0.00 -0.02 0.00 0.00 41.12 40.56 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 1.32 1.10 -0.02 1.24 3.57 -1.79 -0.01 116.94 122.34 1qf7 h PHE 317 Ca 0.27 -0.09 -0.26 0.00 3.53 0.00 0.00 57.97 61.42 1qf7 h PHE 317 Cb 1.92 -0.33 0.02 0.00 2.79 0.00 0.00 35.95 40.35 1qf7 h PHE 317 CO 1.07 0.85 -1.02 0.45 -2.23 0.00 0.00 178.31 177.44 1qf7 h HIS 318 N 1.03 1.05 -0.56 0.41 3.86 -1.88 -1.94 115.15 117.13 1qf7 h HIS 318 Ca 0.24 -0.56 -0.03 0.00 -1.16 0.00 0.00 60.37 58.86 1qf7 h HIS 318 Cb 0.22 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1qf7 h HIS 318 CO 0.02 1.40 0.22 -0.09 0.86 0.00 0.00 177.93 180.33 1qf7 h ARG 319 N 0.41 0.84 -0.17 2.45 2.43 -1.83 -1.07 114.38 117.44 1qf7 h ARG 319 Ca -0.12 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 58.86 1qf7 h ARG 319 Cb 1.67 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 31.08 1qf7 h ARG 319 CO 0.20 0.73 -0.04 -0.09 -1.51 0.00 0.00 179.97 179.26 1qf7 h ARG 320 N 0.77 0.33 -0.82 0.20 2.43 -0.98 -2.29 114.38 114.01 1qf7 h ARG 320 Ca 0.19 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1qf7 h ARG 320 Cb 0.21 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1qf7 h ARG 320 CO -0.01 0.60 0.44 1.49 -1.51 0.00 0.00 179.97 180.98 1qf7 h GLU 321 N 0.04 1.13 -0.13 0.20 4.22 -1.26 0.55 114.58 119.34 1qf7 h GLU 321 Ca 0.04 -0.13 -0.02 0.00 0.08 0.00 0.00 59.36 59.33 1qf7 h GLU 321 Cb 0.48 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1qf7 h GLU 321 CO 0.02 0.83 0.00 1.25 -2.18 0.00 0.00 179.01 178.93 1qf7 h LEU 322 N 1.14 0.22 -0.39 1.64 5.85 -1.14 -1.00 115.31 121.63 1qf7 h LEU 322 Ca 0.29 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1qf7 h LEU 322 Cb 0.03 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1qf7 h LEU 322 CO -0.05 0.47 0.16 -0.25 -0.34 0.00 0.00 178.44 178.43 1qf7 h TRP 323 N -0.04 0.58 0.00 1.25 2.91 -0.75 -2.50 115.95 117.41 1qf7 h TRP 323 Ca 0.04 -0.04 -0.11 0.00 1.13 0.00 0.00 58.89 59.91 1qf7 h TRP 323 Cb 0.36 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 28.81 1qf7 h TRP 323 CO 0.03 0.52 -0.52 0.93 -1.03 0.00 0.00 178.44 178.37 1qf7 h GLU 324 N 0.48 0.00 -0.32 2.65 5.08 -0.93 -1.76 114.58 119.78 1qf7 h GLU 324 Ca 0.13 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1qf7 h GLU 324 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1qf7 h GLU 324 CO -0.01 0.52 -0.10 0.00 -1.00 0.00 0.00 179.01 178.41 1qf7 h ALA 325 N 1.48 0.45 -0.67 3.43 0.00 -0.92 -0.25 119.26 122.78 1qf7 h ALA 325 Ca -0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1qf7 h ALA 325 Cb 1.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1qf7 h ALA 325 CO 0.07 0.30 0.18 0.82 0.00 0.00 0.00 179.25 180.62 1qf7 h ILE 326 N 0.41 1.25 0.00 0.00 2.04 -1.36 0.16 117.51 120.01 1qf7 h ILE 326 Ca 0.08 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 1qf7 h ILE 326 Cb 0.61 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1qf7 h ILE 326 CO 0.04 0.35 -0.20 -0.33 0.00 0.00 0.00 178.15 178.00 1qf7 h GLU 327 N 1.01 0.00 -0.00 2.37 5.08 -1.04 -2.94 114.58 119.06 1qf7 h GLU 327 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1qf7 h GLU 327 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1qf7 h GLU 327 CO -0.00 0.20 -0.37 0.00 -1.00 0.00 0.00 179.01 177.84 1qf7 n ALA 328 N -2.24 3.24 -0.46 3.43 0.00 -0.13 -2.30 120.51 122.06 1qf7 n ALA 328 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1qf7 n ALA 328 Cb 0.38 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.49 0.75 2.42 0.00 0.00 -0.89 -4.62 105.19 104.34 1qf7 n GLY 329 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 7.80 -4.67 1.61 8.00 0.51 -4.97 116.55 124.82 1qf7 n ASP 330 Ca 0.00 -3.01 -0.48 0.00 0.71 0.00 0.00 54.79 52.00 1qf7 n ASP 330 Cb 0.00 -1.38 -0.05 0.00 -0.02 0.00 0.00 41.12 39.67 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 1.97 2.25 -1.69 1.24 3.72 -1.26 -4.34 117.46 119.33 1qf7 n PHE 331 Ca 0.62 0.17 -0.44 0.00 -0.05 0.00 0.00 57.45 57.75 1qf7 n PHE 331 Cb 0.33 -2.59 -0.04 0.00 -0.94 0.00 0.00 39.48 36.24 1qf7 n PHE 331 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1qf7 n PRO 332 N 5.08 2.53 -4.74 -1.08 -0.02 -1.23 -4.76 135.00 130.78 1qf7 n PRO 332 Ca 0.20 0.92 -0.25 0.00 -2.02 0.00 0.00 63.50 62.35 1qf7 n PRO 332 Cb 0.28 -2.75 -0.16 0.00 -0.02 0.00 0.00 33.50 30.85 1qf7 n PRO 332 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1qf7 s GLU 333 N 1.53 1.64 -0.01 -0.52 2.02 -1.26 -0.71 118.70 121.40 1qf7 s GLU 333 Ca 0.79 -0.54 0.02 0.00 0.02 0.00 0.00 54.97 55.25 1qf7 s GLU 333 Cb -0.57 -1.43 -0.00 0.00 0.10 0.00 0.00 34.13 32.23 1qf7 s GLU 333 CO 0.36 0.21 -0.06 0.71 0.02 0.00 0.00 175.26 176.50 1qf7 s TYR 334 N 0.11 0.52 -0.25 1.61 2.02 -0.56 -0.96 117.35 119.83 1qf7 s TYR 334 Ca -0.04 -0.10 -0.10 0.00 -0.37 0.00 0.00 57.07 56.45 1qf7 s TYR 334 Cb -0.11 -0.35 -0.05 0.00 -0.40 0.00 0.00 41.96 41.05 1qf7 s TYR 334 CO 0.02 -0.02 0.16 -2.00 -1.57 0.00 0.00 175.55 172.14 1qf7 s GLU 335 N -0.06 3.97 0.08 -0.62 2.12 0.41 -0.67 118.70 123.93 1qf7 s GLU 335 Ca 0.01 -0.32 -0.31 0.00 0.36 0.00 0.00 54.97 54.72 1qf7 s GLU 335 Cb -0.03 -3.55 -0.06 0.00 0.26 0.00 0.00 34.13 30.75 1qf7 s GLU 335 CO -0.00 -0.05 1.21 -1.17 -0.54 0.00 0.00 175.26 174.70 1qf7 s LEU 336 N 1.37 4.38 0.06 2.70 2.96 0.32 -0.93 118.68 129.53 1qf7 s LEU 336 Ca 0.07 2.06 0.03 0.00 -0.22 0.00 0.00 54.13 56.07 1qf7 s LEU 336 Cb -0.15 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 1qf7 s LEU 336 CO 0.07 -0.47 -0.09 -0.83 -1.32 0.00 0.00 176.35 173.71 1qf7 s GLY 337 N 0.95 0.65 -0.09 7.98 0.00 0.58 0.30 107.32 117.69 1qf7 s GLY 337 Ca 0.58 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 44.43 1qf7 s GLY 337 CO 0.30 -0.96 -0.20 -1.36 0.00 0.00 0.00 173.10 170.88 1qf7 s PHE 338 N -1.64 2.60 -0.34 1.90 0.08 -0.01 -1.32 117.98 119.25 1qf7 s PHE 338 Ca -0.05 -0.70 -0.17 0.00 0.12 0.00 0.00 56.93 56.14 1qf7 s PHE 338 Cb -0.08 -1.69 -0.01 0.00 -0.57 0.00 0.00 43.02 40.67 1qf7 s PHE 338 CO 0.00 -0.20 0.46 -0.65 -0.10 0.00 0.00 175.22 174.73 1qf7 s GLN 339 N 0.01 3.66 -0.13 0.44 -0.21 -0.51 -0.44 119.66 122.49 1qf7 s GLN 339 Ca -0.07 -0.19 -0.03 0.00 0.02 0.00 0.00 55.36 55.10 1qf7 s GLN 339 Cb -0.15 -3.79 -0.03 0.00 1.00 0.00 0.00 33.01 30.05 1qf7 s GLN 339 CO 0.05 -0.56 -0.03 -0.51 -2.12 0.00 0.00 175.29 172.12 1qf7 s LEU 340 N 2.25 3.36 -0.07 2.90 1.02 -1.26 -1.62 118.68 125.26 1qf7 s LEU 340 Ca 0.17 -0.03 -0.01 0.00 0.02 0.00 0.00 54.13 54.27 1qf7 s LEU 340 Cb -0.16 -1.79 0.03 0.00 0.02 0.00 0.00 46.19 44.29 1qf7 s LEU 340 CO 0.12 0.25 0.01 -0.63 0.02 0.00 0.00 176.35 176.13 1qf7 s ILE 341 N -0.14 0.32 0.54 -0.59 1.01 -0.31 -4.98 121.20 117.06 1qf7 s ILE 341 Ca 0.03 0.15 -0.21 0.00 0.00 0.00 0.00 60.65 60.62 1qf7 s ILE 341 Cb -0.13 -0.49 -0.05 0.00 0.01 0.00 0.00 42.46 41.80 1qf7 s ILE 341 CO 0.02 0.24 1.28 -2.84 0.00 0.00 0.00 174.94 173.65 1qf7 s PRO 342 N 2.00 3.19 0.33 2.79 0.02 -1.26 -1.00 135.00 141.06 1qf7 s PRO 342 Ca 0.05 2.04 0.08 0.00 0.02 0.00 0.00 61.00 63.19 1qf7 s PRO 342 Cb -0.12 -2.19 0.79 0.00 0.02 0.00 0.00 34.50 33.00 1qf7 s PRO 342 CO -0.05 -1.09 1.81 1.49 -0.33 0.00 0.00 177.00 178.83 1qf7 h GLU 343 N 1.40 0.70 0.00 5.54 4.81 -1.96 -0.26 114.58 124.81 1qf7 h GLU 343 Ca -0.50 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.67 1qf7 h GLU 343 Cb 1.29 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 1qf7 h GLU 343 CO 0.57 0.46 -0.05 0.93 -0.73 0.00 0.00 179.01 180.19 1qf7 h GLU 344 N 0.72 0.00 -0.65 1.92 3.07 -1.95 -2.46 114.58 115.23 1qf7 h GLU 344 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1qf7 h GLU 344 Cb 0.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 1qf7 h GLU 344 CO -0.30 0.05 0.00 -0.25 -1.40 0.00 0.00 179.01 177.12 1qf7 n ASP 345 N -3.39 4.68 -0.29 1.42 8.00 -0.11 -4.63 116.55 122.23 1qf7 n ASP 345 Ca -0.02 -2.50 0.09 0.00 0.71 0.00 0.00 54.79 53.07 1qf7 n ASP 345 Cb 0.19 -0.58 0.25 0.00 -0.02 0.00 0.00 41.12 40.95 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 3.83 0.47 -0.54 -1.24 4.81 -1.53 -2.11 114.58 118.28 1qf7 h GLU 346 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1qf7 h GLU 346 Cb 1.48 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 1qf7 h GLU 346 CO 0.27 0.31 0.01 1.19 -0.73 0.00 0.00 179.01 180.06 1qf7 n PHE 347 N -4.98 1.96 1.25 0.92 3.72 -1.26 -4.50 117.46 114.57 1qf7 n PHE 347 Ca 0.18 -0.77 0.13 0.00 -0.05 0.00 0.00 57.45 56.95 1qf7 n PHE 347 Cb 0.52 -0.50 0.32 0.00 -0.94 0.00 0.00 39.48 38.88 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 0.44 1.61 -2.68 -1.08 5.02 -0.79 -4.93 118.16 115.75 1qf7 n LYS 348 Ca 0.27 -1.12 -0.21 0.00 -2.02 0.00 0.00 58.31 55.24 1qf7 n LYS 348 Cb 1.17 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 34.74 1qf7 n LYS 348 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1qf7 s PHE 349 N -2.17 2.86 -1.03 2.13 0.40 -1.26 -4.99 117.98 113.92 1qf7 s PHE 349 Ca 0.30 -0.04 0.25 0.00 -0.60 0.00 0.00 56.93 56.84 1qf7 s PHE 349 Cb 0.20 -2.71 1.09 0.00 0.51 0.00 0.00 43.02 42.10 1qf7 s PHE 349 CO 0.39 -0.82 1.81 -0.25 0.70 0.00 0.00 175.22 177.05 1qf7 n ASP 350 N -2.29 0.00 -4.33 1.36 8.00 -1.26 -4.82 116.55 113.21 1qf7 n ASP 350 Ca 0.08 0.46 -0.17 0.00 0.71 0.00 0.00 54.79 55.87 1qf7 n ASP 350 Cb 0.60 -0.49 -0.10 0.00 -0.02 0.00 0.00 41.12 41.11 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 -2.97 1.59 0.06 1.24 -0.12 -1.26 -5.03 117.98 111.49 1qf7 s PHE 351 Ca 0.13 -0.74 -0.28 0.00 -0.05 0.00 0.00 56.93 55.98 1qf7 s PHE 351 Cb 0.16 -0.85 -0.05 0.00 -0.63 0.00 0.00 43.02 41.66 1qf7 s PHE 351 CO 0.45 0.16 0.89 0.34 -0.05 0.00 0.00 175.22 177.01 1qf7 s ASP 352 N -3.30 7.35 0.57 1.98 -1.08 -1.26 -4.94 116.67 115.99 1qf7 s ASP 352 Ca 0.24 1.62 0.37 0.00 -0.52 0.00 0.00 52.55 54.25 1qf7 s ASP 352 Cb 0.03 -2.54 1.69 0.00 -1.46 0.00 0.00 42.92 40.65 1qf7 s ASP 352 CO 0.07 -0.08 2.09 -0.07 0.52 0.00 0.00 175.17 177.69 1qf7 h LEU 353 N 5.94 0.00 -1.09 -1.34 3.38 -1.97 -2.79 115.31 117.43 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 0.72 0.00 0.00 0.18 0.09 0.00 0.00 178.44 179.43 1qf7 n LEU 354 N -3.02 1.68 -4.55 1.67 4.77 -1.26 -4.43 117.00 111.86 1qf7 n LEU 354 Ca -0.01 -0.62 -0.43 0.00 -0.03 0.00 0.00 56.01 54.93 1qf7 n LEU 354 Cb 0.22 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1qf7 n LEU 354 CO 0.24 0.31 0.65 -0.62 -1.33 0.00 0.00 177.39 176.63 1qf7 s ASP 355 N -1.84 6.45 0.00 -1.43 -1.08 -1.06 -4.36 116.67 113.36 1qf7 s ASP 355 Ca 0.36 -0.00 0.22 0.00 -0.52 0.00 0.00 52.55 52.61 1qf7 s ASP 355 Cb 0.20 -2.41 1.24 0.00 -1.46 0.00 0.00 42.92 40.49 1qf7 s ASP 355 CO 0.31 -0.97 1.72 -0.81 0.52 0.00 0.00 175.17 175.94 1qf7 n PRO 356 N 6.91 0.53 -0.06 4.34 -0.04 -1.26 -1.88 135.00 143.54 1qf7 n PRO 356 Ca 0.04 0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 1qf7 n PRO 356 Cb 0.48 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.77 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 -1.13 0.17 -4.62 0.52 -2.24 -1.26 -1.23 114.28 104.49 1qf7 n THR 357 Ca 0.14 -0.43 -0.33 0.00 -2.27 0.00 0.00 64.05 61.16 1qf7 n THR 357 Cb 0.12 0.77 -0.14 0.00 -2.10 0.00 0.00 70.33 68.98 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 -1.83 3.46 0.29 -0.78 -0.14 -0.79 -4.84 119.74 115.11 1qf7 s LYS 358 Ca 0.34 -0.64 0.01 0.00 -1.36 0.00 0.00 55.97 54.33 1qf7 s LYS 358 Cb 0.20 -2.73 -0.03 0.00 -1.68 0.00 0.00 37.83 33.58 1qf7 s LYS 358 CO 0.30 0.20 0.47 -0.48 -0.76 0.00 0.00 175.35 175.07 1qf7 s LEU 359 N 0.42 4.14 -0.41 3.17 0.05 -1.26 -4.83 118.68 119.96 1qf7 s LEU 359 Ca -0.08 0.35 -0.13 0.00 0.05 0.00 0.00 54.13 54.32 1qf7 s LEU 359 Cb -0.15 -3.17 0.04 0.00 -2.05 0.00 0.00 46.19 40.86 1qf7 s LEU 359 CO 0.04 -0.18 0.28 -0.63 -0.55 0.00 0.00 176.35 175.31 1qf7 s ILE 360 N -2.13 4.89 0.21 1.48 1.01 -1.26 -5.04 121.20 120.35 1qf7 s ILE 360 Ca 0.38 -0.91 -0.32 0.00 0.00 0.00 0.00 60.65 59.80 1qf7 s ILE 360 Cb -0.10 -3.80 -0.13 0.00 0.01 0.00 0.00 42.46 38.45 1qf7 s ILE 360 CO 0.33 -0.36 1.62 -2.65 0.00 0.00 0.00 174.94 173.88 1qf7 n PRO 361 N 5.08 2.49 0.25 2.79 -0.02 -1.26 -4.85 135.00 139.48 1qf7 n PRO 361 Ca -0.11 0.89 0.10 0.00 -2.02 0.00 0.00 63.50 62.36 1qf7 n PRO 361 Cb 0.45 -2.69 0.65 0.00 -0.02 0.00 0.00 33.50 31.90 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 5.91 0.00 0.00 -0.52 5.08 -1.97 -0.08 114.58 123.00 1qf7 h GLU 362 Ca -0.44 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.90 1qf7 h GLU 362 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1qf7 h GLU 362 CO 0.89 0.15 -0.08 0.93 -1.00 0.00 0.00 179.01 179.90 1qf7 h GLU 363 N 0.00 0.00 0.07 2.33 4.39 -1.96 -2.93 114.58 116.48 1qf7 h GLU 363 Ca -0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.35 1qf7 h GLU 363 Cb 0.37 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1qf7 h GLU 363 CO 0.02 0.08 -1.93 1.28 -1.16 0.00 0.00 179.01 177.30 1qf7 n LEU 364 N -3.85 2.46 -3.65 1.33 4.77 -0.16 -4.86 117.00 113.05 1qf7 n LEU 364 Ca -0.02 0.22 -0.29 0.00 -0.03 0.00 0.00 56.01 55.88 1qf7 n LEU 364 Cb 0.18 -1.04 -0.15 0.00 -2.33 0.00 0.00 43.42 40.08 1qf7 n LEU 364 CO 0.30 0.72 -0.33 -0.69 -1.33 0.00 0.00 177.39 176.06 1qf7 s VAL 365 N -2.51 0.46 0.69 4.08 1.01 -0.50 -5.07 120.40 118.57 1qf7 s VAL 365 Ca -0.27 -1.08 -0.15 0.00 0.00 0.00 0.00 61.98 60.49 1qf7 s VAL 365 Cb 0.07 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 35.13 1qf7 s VAL 365 CO 0.69 -0.67 1.14 -2.84 0.00 0.00 0.00 175.10 173.42 1qf7 s PRO 366 N 1.83 2.54 -0.17 2.72 0.02 -1.15 -4.14 135.00 136.65 1qf7 s PRO 366 Ca 0.09 1.50 -0.22 0.00 0.02 0.00 0.00 61.00 62.38 1qf7 s PRO 366 Cb -0.17 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 1qf7 s PRO 366 CO -0.29 -1.47 0.69 0.08 -0.33 0.00 0.00 177.00 175.68 1qf7 s VAL 367 N -2.26 4.99 -0.21 3.83 1.01 -1.26 -4.38 120.40 122.11 1qf7 s VAL 367 Ca 0.69 1.34 -0.12 0.00 0.00 0.00 0.00 61.98 63.90 1qf7 s VAL 367 Cb -0.23 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1qf7 s VAL 367 CO 0.43 0.11 0.20 -1.10 0.00 0.00 0.00 175.10 174.75 1qf7 s GLN 368 N 1.79 4.14 0.32 2.72 -0.21 0.42 -4.84 119.66 124.01 1qf7 s GLN 368 Ca 0.33 -0.14 -0.29 0.00 0.02 0.00 0.00 55.36 55.27 1qf7 s GLN 368 Cb -0.16 -3.49 -0.10 0.00 1.00 0.00 0.00 33.01 30.25 1qf7 s GLN 368 CO 0.12 0.13 1.31 1.03 -2.12 0.00 0.00 175.29 175.76 1qf7 s ARG 369 N 0.83 4.36 0.00 2.91 0.52 -1.26 -0.83 118.95 125.48 1qf7 s ARG 369 Ca 0.10 2.21 0.00 0.00 -0.52 0.00 0.00 55.73 57.52 1qf7 s ARG 369 Cb -0.13 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.26 1qf7 s ARG 369 CO 0.03 -0.19 0.00 0.28 0.02 0.00 0.00 175.30 175.44 1qf7 n VAL 370 N 0.95 0.00 -3.87 3.52 0.31 0.15 -4.88 118.33 114.51 1qf7 n VAL 370 Ca 0.01 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 1qf7 n VAL 370 Cb 0.42 -0.45 0.01 0.00 -0.91 0.00 0.00 33.84 32.90 1qf7 n VAL 370 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1qf7 s GLY 371 N -3.59 -0.20 -0.04 2.92 0.00 -1.08 -1.40 107.32 103.94 1qf7 s GLY 371 Ca 0.00 0.21 0.07 0.00 0.00 0.00 0.00 44.72 45.00 1qf7 s GLY 371 CO 0.00 3.76 -0.25 1.25 0.00 0.00 0.00 173.10 177.87 1qf7 s LYS 372 N -2.15 2.29 -0.12 2.90 2.20 -0.75 -0.52 119.74 123.59 1qf7 s LYS 372 Ca 0.24 -0.89 0.01 0.00 -0.36 0.00 0.00 55.97 54.97 1qf7 s LYS 372 Cb 0.01 -2.05 -0.01 0.00 -1.51 0.00 0.00 37.83 34.26 1qf7 s LYS 372 CO -0.01 0.45 -0.15 1.41 -0.36 0.00 0.00 175.35 176.69 1qf7 s MET 373 N -0.35 3.31 -0.10 4.03 -2.45 0.15 -1.94 119.30 121.94 1qf7 s MET 373 Ca 0.02 -0.72 0.03 0.00 -1.25 0.00 0.00 55.69 53.78 1qf7 s MET 373 Cb -0.12 -2.57 0.01 0.00 1.25 0.00 0.00 34.83 33.40 1qf7 s MET 373 CO 0.01 0.22 -0.20 0.08 1.05 0.00 0.00 175.02 176.18 1qf7 s VAL 374 N 0.31 1.83 -0.41 10.11 1.01 -0.15 -1.50 120.40 131.61 1qf7 s VAL 374 Ca -0.12 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 1qf7 s VAL 374 Cb -0.16 -1.61 0.06 0.00 0.00 0.00 0.00 36.38 34.67 1qf7 s VAL 374 CO 0.06 0.51 0.26 -0.76 0.00 0.00 0.00 175.10 175.17 1qf7 s LEU 375 N 0.57 5.07 -0.08 3.92 1.02 0.12 -1.40 118.68 127.89 1qf7 s LEU 375 Ca -0.14 -1.30 0.12 0.00 0.02 0.00 0.00 54.13 52.82 1qf7 s LEU 375 Cb -0.17 -2.03 0.18 0.00 0.02 0.00 0.00 46.19 44.20 1qf7 s LEU 375 CO 0.05 -0.50 1.07 -0.46 0.02 0.00 0.00 176.35 176.53 1qf7 n ASN 376 N 4.98 1.76 -3.63 2.29 6.94 -0.53 -3.53 115.26 123.55 1qf7 n ASN 376 Ca -0.11 -2.64 -0.13 0.00 -0.02 0.00 0.00 54.58 51.68 1qf7 n ASN 376 Cb 0.44 -0.31 -0.07 0.00 -2.36 0.00 0.00 39.78 37.48 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 -1.95 0.79 0.63 -3.83 3.52 -1.00 -5.00 118.95 112.11 1qf7 s ARG 377 Ca 0.20 0.99 -0.09 0.00 -0.13 0.00 0.00 55.73 56.70 1qf7 s ARG 377 Cb 0.18 0.36 -0.00 0.00 -1.56 0.00 0.00 34.95 33.92 1qf7 s ARG 377 CO 0.02 -0.10 0.99 -0.80 -0.81 0.00 0.00 175.30 174.59 1qf7 s ASN 378 N 0.53 5.73 1.35 -2.12 0.01 -1.26 -0.44 114.94 118.75 1qf7 s ASN 378 Ca -0.01 1.03 -0.20 0.00 -0.71 0.00 0.00 52.86 52.96 1qf7 s ASN 378 Cb -0.05 -2.00 0.34 0.00 0.41 0.00 0.00 41.25 39.96 1qf7 s ASN 378 CO -0.02 -1.08 0.96 -2.84 -1.51 0.00 0.00 177.10 172.62 1qf7 s PRO 379 N -5.14 -2.39 -0.25 -0.60 0.02 -1.26 -3.66 135.00 121.72 1qf7 s PRO 379 Ca 0.55 0.26 -0.01 0.00 0.02 0.00 0.00 61.00 61.83 1qf7 s PRO 379 Cb -0.11 -1.43 -0.18 0.00 0.02 0.00 0.00 34.50 32.81 1qf7 s PRO 379 CO 0.49 -4.55 -0.17 -0.25 -0.33 0.00 0.00 177.00 172.18 1qf7 n ASP 380 N -5.42 1.99 -3.88 2.53 8.00 -1.26 -1.31 116.55 117.20 1qf7 n ASP 380 Ca 0.10 -0.05 -0.28 0.00 0.71 0.00 0.00 54.79 55.27 1qf7 n ASP 380 Cb 0.59 -0.50 -0.17 0.00 -0.02 0.00 0.00 41.12 41.02 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 -6.67 2.67 0.22 -2.24 3.84 -1.26 -4.66 114.94 106.85 1qf7 s ASN 381 Ca -0.34 -0.59 -0.08 0.00 0.21 0.00 0.00 52.86 52.06 1qf7 s ASN 381 Cb 0.09 -0.86 0.30 0.00 -0.55 0.00 0.00 41.25 40.23 1qf7 s ASN 381 CO 0.61 -0.18 1.79 0.15 -2.79 0.00 0.00 177.10 176.67 1qf7 h PHE 382 N 8.14 0.63 -0.04 0.43 3.04 -1.98 -2.39 116.94 124.77 1qf7 h PHE 382 Ca -0.24 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.72 1qf7 h PHE 382 Cb 1.12 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.44 1qf7 h PHE 382 CO 0.45 0.25 -0.01 0.35 -2.02 0.00 0.00 178.31 177.33 1qf7 h PHE 383 N 0.61 0.09 -0.68 0.41 3.04 -1.96 0.49 116.94 118.94 1qf7 h PHE 383 Ca 0.33 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.22 1qf7 h PHE 383 Cb 0.31 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.76 1qf7 h PHE 383 CO -0.10 0.43 0.27 0.00 -2.02 0.00 0.00 178.31 176.89 1qf7 h ALA 384 N 0.65 0.89 0.01 2.41 0.00 -1.94 -2.32 119.26 118.96 1qf7 h ALA 384 Ca 0.01 -0.18 -0.40 0.00 0.00 0.00 0.00 54.91 54.34 1qf7 h ALA 384 Cb 0.40 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1qf7 h ALA 384 CO 0.00 0.51 -2.25 0.39 0.00 0.00 0.00 179.25 177.90 1qf7 n GLU 385 N -4.39 0.62 0.00 0.00 1.02 -0.91 -4.25 120.64 112.73 1qf7 n GLU 385 Ca 0.05 0.29 -0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1qf7 n GLU 385 Cb 0.17 -1.57 -0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 -0.64 -0.03 -0.77 1.62 -0.00 -1.11 -3.10 115.58 111.56 1qf7 h ASN 386 Ca -0.58 0.00 0.15 0.00 -0.00 0.00 0.00 56.30 55.86 1qf7 h ASN 386 Cb 1.68 0.01 -0.10 0.00 -0.00 0.00 0.00 38.32 39.91 1qf7 h ASN 386 CO -0.25 0.06 0.31 -0.08 -0.00 0.00 0.00 177.43 177.47 1qf7 h GLU 387 N -0.19 0.44 -0.00 6.67 4.57 -1.05 -0.73 114.58 124.29 1qf7 h GLU 387 Ca -0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1qf7 h GLU 387 Cb 0.02 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1qf7 h GLU 387 CO 0.01 0.29 -0.07 1.04 -1.18 0.00 0.00 179.01 179.10 1qf7 n GLN 388 N -5.00 0.16 -1.89 1.92 6.02 -0.89 -4.90 117.38 112.81 1qf7 n GLN 388 Ca 0.15 -0.02 -0.41 0.00 -0.01 0.00 0.00 57.00 56.70 1qf7 n GLN 388 Cb 0.43 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.17 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 -2.85 3.61 -0.15 -1.58 0.00 -0.28 -4.89 121.76 115.62 1qf7 s ALA 389 Ca 0.18 1.48 -0.00 0.00 0.00 0.00 0.00 51.96 53.62 1qf7 s ALA 389 Cb 0.19 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.76 1qf7 s ALA 389 CO 0.53 -0.91 -0.09 0.00 0.00 0.00 0.00 175.76 175.29 1qf7 s ALA 390 N -0.66 1.62 0.01 0.00 0.00 -1.26 -5.05 121.76 116.42 1qf7 s ALA 390 Ca 0.56 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.71 1qf7 s ALA 390 Cb -0.45 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1qf7 s ALA 390 CO 0.54 -0.59 -0.04 -0.06 0.00 0.00 0.00 175.76 175.62 1qf7 s PHE 391 N 1.58 2.96 -0.02 0.00 0.40 -1.26 -5.00 117.98 116.63 1qf7 s PHE 391 Ca 0.03 0.00 -0.00 0.00 -0.60 0.00 0.00 56.93 56.36 1qf7 s PHE 391 Cb -0.14 -1.62 0.03 0.00 0.51 0.00 0.00 43.02 41.80 1qf7 s PHE 391 CO -0.09 0.42 0.03 -0.65 0.70 0.00 0.00 175.22 175.63 1qf7 s GLN 392 N -1.58 -0.01 0.56 0.44 -0.21 -1.26 -4.97 119.66 112.63 1qf7 s GLN 392 Ca 0.19 0.20 0.38 0.00 0.02 0.00 0.00 55.36 56.14 1qf7 s GLN 392 Cb -0.11 -0.30 1.99 0.00 1.00 0.00 0.00 33.01 35.58 1qf7 s GLN 392 CO 0.10 -0.18 2.15 -1.00 -2.12 0.00 0.00 175.29 174.23 1qf7 h PRO 393 N 7.41 0.00 0.00 2.91 0.13 -1.90 0.12 132.00 140.67 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 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1qf7 h PRO 393 CO 0.45 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.63 1qf7 n GLY 394 N -0.95 -1.26 3.48 1.56 0.00 -1.26 -4.42 105.19 102.34 1qf7 n GLY 394 Ca -0.02 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.60 3.16 0.40 1.61 3.76 0.41 -4.96 115.29 117.08 1qf7 s HIS 395 Ca 0.27 -1.63 0.08 0.00 -0.15 0.00 0.00 55.06 53.62 1qf7 s HIS 395 Cb 0.20 -4.39 -0.05 0.00 1.11 0.00 0.00 32.58 29.45 1qf7 s HIS 395 CO 0.45 -1.54 0.20 0.96 -0.85 0.00 0.00 174.74 173.97 1qf7 s ILE 396 N 2.68 2.48 0.22 0.60 -4.36 -1.26 -1.33 121.20 120.22 1qf7 s ILE 396 Ca 0.40 -1.65 0.04 0.00 -0.26 0.00 0.00 60.65 59.18 1qf7 s ILE 396 Cb -0.03 -2.99 -0.05 0.00 1.25 0.00 0.00 42.46 40.64 1qf7 s ILE 396 CO -0.04 -0.03 -0.02 0.68 0.24 0.00 0.00 174.94 175.76 1qf7 s VAL 397 N -2.55 1.08 0.24 8.37 -7.23 -1.26 -4.84 120.40 114.21 1qf7 s VAL 397 Ca 0.42 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 58.23 1qf7 s VAL 397 Cb 0.02 -2.25 -0.12 0.00 0.56 0.00 0.00 36.38 34.58 1qf7 s VAL 397 CO 0.23 -0.40 1.63 -2.65 -0.31 0.00 0.00 175.10 173.60 1qf7 n PRO 398 N -0.38 2.64 0.00 4.82 -0.02 -1.26 -1.54 135.00 139.26 1qf7 n PRO 398 Ca -0.06 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1qf7 n PRO 398 Cb 0.63 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 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 3.00 1.14 3.41 -1.23 0.00 -1.26 -3.46 105.19 106.79 1qf7 n GLY 399 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 2.57 0.29 0.99 1.43 -0.59 -1.13 118.68 122.24 1qf7 s LEU 400 Ca 0.00 -1.07 -0.18 0.00 -1.03 0.00 0.00 54.13 51.85 1qf7 s LEU 400 Cb 0.00 -0.82 0.02 0.00 0.03 0.00 0.00 46.19 45.42 1qf7 s LEU 400 CO 0.00 -0.14 0.68 -0.62 0.23 0.00 0.00 176.35 176.49 1qf7 s ASP 401 N -3.42 -0.17 0.72 2.29 -1.08 -0.13 -4.73 116.67 110.14 1qf7 s ASP 401 Ca 0.27 -0.75 -0.03 0.00 -0.52 0.00 0.00 52.55 51.52 1qf7 s ASP 401 Cb -0.01 0.72 0.09 0.00 -1.46 0.00 0.00 42.92 42.26 1qf7 s ASP 401 CO 0.11 -1.35 0.57 0.49 0.52 0.00 0.00 175.17 175.51 1qf7 n PHE 402 N -0.46 -3.45 -4.39 -5.34 3.72 -1.26 -0.99 117.46 105.29 1qf7 n PHE 402 Ca -0.04 -0.80 -0.22 0.00 -0.05 0.00 0.00 57.45 56.34 1qf7 n PHE 402 Cb 0.60 -0.43 -0.08 0.00 -0.94 0.00 0.00 39.48 38.63 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 -1.83 0.29 -2.06 4.37 -4.23 -1.26 -4.26 115.64 106.66 1qf7 s THR 403 Ca 0.36 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.98 1qf7 s THR 403 Cb -0.02 -2.42 0.30 0.00 1.34 0.00 0.00 72.50 71.70 1qf7 s THR 403 CO 0.24 0.00 1.33 0.59 -0.54 0.00 0.00 174.62 176.24 1qf7 n ASN 404 N -1.36 1.04 -4.70 3.99 3.02 -1.26 -4.68 115.26 111.32 1qf7 n ASN 404 Ca 0.01 -1.84 -0.61 0.00 -0.03 0.00 0.00 54.58 52.11 1qf7 n ASN 404 Cb 0.64 -0.11 -0.08 0.00 -0.61 0.00 0.00 39.78 39.62 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 0.00 1.97 0.18 6.41 -0.08 -1.26 -4.79 116.55 118.98 1qf7 n ASP 405 Ca 0.10 1.07 0.14 0.00 -1.51 0.00 0.00 54.79 54.59 1qf7 n ASP 405 Cb 0.19 -1.06 0.48 0.00 2.34 0.00 0.00 41.12 43.07 1qf7 n ASP 405 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1qf7 h PRO 406 N 6.84 0.00 0.03 -0.67 0.13 -1.77 -0.21 132.00 136.34 1qf7 h PRO 406 Ca -0.44 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 1qf7 h PRO 406 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1qf7 h PRO 406 CO 0.98 0.00 -0.18 1.25 -0.23 0.00 0.00 178.00 179.82 1qf7 h LEU 407 N 0.00 0.11 -0.33 1.56 5.85 -1.80 -2.86 115.31 117.85 1qf7 h LEU 407 Ca 0.00 -0.95 0.04 0.00 0.84 0.00 0.00 57.88 57.82 1qf7 h LEU 407 Cb 0.58 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1qf7 h LEU 407 CO 0.00 1.05 0.08 0.25 -0.34 0.00 0.00 178.44 179.48 1qf7 h LEU 408 N -0.81 0.05 -0.85 2.25 5.85 -1.85 -2.38 115.31 117.58 1qf7 h LEU 408 Ca -0.03 0.05 0.21 0.00 0.84 0.00 0.00 57.88 58.94 1qf7 h LEU 408 Cb 1.10 0.05 -0.12 0.00 0.37 0.00 0.00 40.66 42.06 1qf7 h LEU 408 CO 0.03 0.06 0.29 1.56 -0.34 0.00 0.00 178.44 180.05 1qf7 h GLN 409 N 0.21 0.31 -0.06 1.25 1.08 -1.18 -1.70 115.11 115.01 1qf7 h GLN 409 Ca 0.15 -0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 57.19 1qf7 h GLN 409 Cb 0.15 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1qf7 h GLN 409 CO -0.18 0.20 -0.61 0.78 -0.95 0.00 0.00 178.83 178.07 1qf7 h GLY 410 N 0.31 0.21 1.80 3.46 0.00 -1.55 -2.99 103.07 104.31 1qf7 h GLY 410 Ca 0.52 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 1qf7 h GLY 410 CO -0.56 0.24 0.10 3.21 0.00 0.00 0.00 176.54 179.53 1qf7 h ARG 411 N 0.14 0.27 0.00 4.80 3.08 -0.81 -2.39 114.38 119.47 1qf7 h ARG 411 Ca -0.01 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1qf7 h ARG 411 Cb 1.10 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1qf7 h ARG 411 CO 0.09 0.21 -0.20 -0.07 -1.07 0.00 0.00 179.97 178.93 1qf7 h LEU 412 N 0.28 0.00 0.03 3.04 3.38 -1.31 -2.83 115.31 117.89 1qf7 h LEU 412 Ca 0.07 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1qf7 h LEU 412 Cb 0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1qf7 h LEU 412 CO -0.01 0.20 -0.40 0.15 0.09 0.00 0.00 178.44 178.47 1qf7 h PHE 413 N 0.00 0.35 -0.75 1.13 3.57 -1.57 -3.41 116.94 116.25 1qf7 h PHE 413 Ca -0.00 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.27 1qf7 h PHE 413 Cb 0.39 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1qf7 h PHE 413 CO 0.00 1.07 0.41 1.03 -2.23 0.00 0.00 178.31 178.59 1qf7 h SER 414 N -0.47 0.93 -0.29 0.41 0.87 -1.36 -3.27 113.55 110.37 1qf7 h SER 414 Ca -0.06 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.31 1qf7 h SER 414 Cb 1.20 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 1qf7 h SER 414 CO 0.08 0.76 -0.19 1.88 -0.53 0.00 0.00 176.83 178.83 1qf7 h TYR 415 N 1.03 0.74 -0.64 2.24 -1.99 -1.79 -1.01 116.97 115.55 1qf7 h TYR 415 Ca 0.26 -0.20 -0.07 0.00 2.00 0.00 0.00 58.73 60.72 1qf7 h TYR 415 Cb 0.03 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.57 1qf7 h TYR 415 CO -0.00 0.89 0.11 1.15 -0.00 0.00 0.00 178.16 180.31 1qf7 h THR 416 N 0.37 1.26 0.28 -2.88 2.02 -1.83 -2.25 112.91 109.87 1qf7 h THR 416 Ca 0.06 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 1qf7 h THR 416 Cb 0.72 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1qf7 h THR 416 CO 0.05 0.38 -0.16 -0.78 0.37 0.00 0.00 175.52 175.37 1qf7 h ASP 417 N 0.99 -0.41 -0.55 4.18 3.58 -1.57 -2.90 116.42 119.74 1qf7 h ASP 417 Ca 0.20 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 1qf7 h ASP 417 Cb 0.42 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.56 1qf7 h ASP 417 CO 0.01 -0.27 0.27 0.00 -2.88 0.00 0.00 179.24 176.37 1qf7 h THR 418 N -0.42 1.20 0.00 2.25 1.03 -1.08 -2.56 112.91 113.32 1qf7 h THR 418 Ca -0.03 -0.56 -0.02 0.00 -0.01 0.00 0.00 66.41 65.79 1qf7 h THR 418 Cb 0.35 0.47 -0.00 0.00 -1.07 0.00 0.00 68.15 67.89 1qf7 h THR 418 CO 0.04 0.23 -0.08 1.56 -0.01 0.00 0.00 175.52 177.26 1qf7 h GLN 419 N 0.82 0.00 -0.49 0.00 4.20 -1.21 -1.85 115.11 116.58 1qf7 h GLN 419 Ca 0.20 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.84 1qf7 h GLN 419 Cb 0.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1qf7 h GLN 419 CO -0.03 0.08 0.03 0.82 -0.67 0.00 0.00 178.83 179.06 1qf7 h ILE 420 N 0.00 1.24 0.13 2.54 1.08 -1.31 -0.81 117.51 120.38 1qf7 h ILE 420 Ca -0.00 -0.96 -0.36 0.00 -0.39 0.00 0.00 64.86 63.15 1qf7 h ILE 420 Cb 0.37 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 1qf7 h ILE 420 CO 0.01 0.34 -1.95 0.77 -0.69 0.00 0.00 178.15 176.63 1qf7 h SER 421 N 0.75 0.43 -0.58 1.72 4.64 -1.61 -0.60 113.55 118.29 1qf7 h SER 421 Ca 0.15 -0.94 -0.04 0.00 -0.47 0.00 0.00 61.79 60.49 1qf7 h SER 421 Cb 0.41 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 1qf7 h SER 421 CO 0.01 1.84 0.22 -0.09 -0.87 0.00 0.00 176.83 177.95 1qf7 h ARG 422 N 0.04 0.87 -0.38 4.77 2.43 -1.30 -2.84 114.38 117.97 1qf7 h ARG 422 Ca -0.41 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 1qf7 h ARG 422 Cb 2.02 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.43 1qf7 h ARG 422 CO 0.09 0.76 0.00 1.28 -1.51 0.00 0.00 179.97 180.59 1qf7 n LEU 423 N -4.47 4.18 0.00 3.80 4.77 -0.31 -4.37 117.00 120.60 1qf7 n LEU 423 Ca 0.03 -2.76 0.00 0.00 -0.03 0.00 0.00 56.01 53.25 1qf7 n LEU 423 Cb 0.17 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1qf7 n LEU 423 CO 0.39 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 1qf7 n GLY 424 N 0.07 0.68 0.00 -0.72 0.00 -1.07 -4.83 105.19 99.32 1qf7 n GLY 424 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.62 -1.73 0.30 -0.02 0.00 -0.25 -4.78 105.19 96.09 1qf7 n GLY 425 Ca 0.00 -1.40 0.12 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.68 1.41 -1.20 1.61 -0.04 -1.26 -3.77 135.00 131.07 1qf7 n PRO 426 Ca 0.00 -0.61 -0.25 0.00 -0.04 0.00 0.00 63.50 62.61 1qf7 n PRO 426 Cb 0.00 -1.42 0.15 0.00 -0.04 0.00 0.00 33.50 32.19 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 -0.22 4.43 0.15 3.54 3.02 -1.26 -4.62 115.26 120.29 1qf7 n ASN 427 Ca 0.18 -3.57 0.12 0.00 -0.03 0.00 0.00 54.58 51.28 1qf7 n ASN 427 Cb 0.24 -0.85 0.54 0.00 -0.61 0.00 0.00 39.78 39.09 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 1.14 0.00 0.00 3.10 -5.15 -1.88 -0.70 116.94 113.44 1qf7 h PHE 428 Ca 0.61 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.38 1qf7 h PHE 428 Cb 2.44 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.61 1qf7 h PHE 428 CO 1.50 0.00 0.00 1.12 -2.00 0.00 0.00 178.31 178.93 1qf7 h HIS 429 N 0.00 0.00 -0.01 6.09 2.07 -1.89 -2.30 115.15 119.12 1qf7 h HIS 429 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1qf7 h HIS 429 Cb 0.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.27 1qf7 h HIS 429 CO 0.00 0.00 -0.24 0.39 -3.07 0.00 0.00 177.93 175.01 1qf7 n GLU 430 N -2.92 0.84 -2.21 5.12 1.02 -0.27 -3.14 120.64 119.07 1qf7 n GLU 430 Ca 0.02 -0.48 -0.41 0.00 -0.02 0.00 0.00 57.16 56.27 1qf7 n GLU 430 Cb 0.34 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 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 -2.49 3.15 0.19 -3.67 1.01 -0.86 -4.85 121.20 113.68 1qf7 s ILE 431 Ca 0.25 0.98 -0.16 0.00 0.00 0.00 0.00 60.65 61.72 1qf7 s ILE 431 Cb 0.19 -3.63 0.17 0.00 0.01 0.00 0.00 42.46 39.21 1qf7 s ILE 431 CO 0.51 0.16 1.63 -0.65 0.00 0.00 0.00 174.94 176.59 1qf7 h PRO 432 N 5.06 -0.06 -0.28 2.79 0.11 -1.89 0.23 132.00 137.96 1qf7 h PRO 432 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1qf7 h PRO 432 Cb 1.22 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1qf7 h PRO 432 CO 0.75 -0.04 0.19 0.97 -0.21 0.00 0.00 178.00 179.66 1qf7 h ILE 433 N -0.06 1.07 0.00 4.15 6.09 -1.91 -2.41 117.51 124.44 1qf7 h ILE 433 Ca 0.25 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.61 1qf7 h ILE 433 Cb 0.45 0.65 0.00 0.00 0.47 0.00 0.00 36.82 38.39 1qf7 h ILE 433 CO -0.58 0.07 -0.23 0.59 -3.07 0.00 0.00 178.15 174.93 1qf7 n ASN 434 N -4.49 0.72 -4.75 2.19 3.02 0.05 -4.93 115.26 107.07 1qf7 n ASN 434 Ca 0.01 0.39 -0.41 0.00 -0.03 0.00 0.00 54.58 54.54 1qf7 n ASN 434 Cb 0.07 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 38.80 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 -3.11 4.19 0.53 3.52 0.52 -0.91 -4.85 118.95 118.83 1qf7 s ARG 435 Ca 0.09 2.45 -0.22 0.00 -0.52 0.00 0.00 55.73 57.53 1qf7 s ARG 435 Cb 0.13 -3.06 -0.05 0.00 0.52 0.00 0.00 34.95 32.48 1qf7 s ARG 435 CO 0.64 -0.54 1.31 -2.14 0.02 0.00 0.00 175.30 174.60 1qf7 s PRO 436 N -0.41 3.28 0.05 3.54 0.02 -1.26 -4.92 135.00 135.31 1qf7 s PRO 436 Ca 0.62 2.13 0.24 0.00 0.02 0.00 0.00 61.00 64.01 1qf7 s PRO 436 Cb -0.45 -2.29 0.33 0.00 0.02 0.00 0.00 34.50 32.11 1qf7 s PRO 436 CO 0.45 -1.04 1.29 0.25 -0.33 0.00 0.00 177.00 177.62 1qf7 n THR 437 N -0.90 0.16 -2.66 0.99 -2.24 -1.26 -4.93 114.28 103.44 1qf7 n THR 437 Ca 0.10 -0.15 -0.21 0.00 -2.27 0.00 0.00 64.05 61.51 1qf7 n THR 437 Cb 0.46 0.12 0.04 0.00 -2.10 0.00 0.00 70.33 68.84 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 -4.74 2.51 -0.07 0.00 0.02 -1.26 -5.04 135.00 126.42 1qf7 s PRO 439 Ca 0.57 2.05 -0.03 0.00 0.02 0.00 0.00 61.00 63.61 1qf7 s PRO 439 Cb -0.10 -1.84 0.04 0.00 0.02 0.00 0.00 34.50 32.62 1qf7 s PRO 439 CO 0.38 -1.63 0.14 1.52 -0.33 0.00 0.00 177.00 177.08 1qf7 s TYR 440 N -1.43 -0.15 -0.09 6.54 -0.85 -1.26 -4.98 117.35 115.14 1qf7 s TYR 440 Ca 0.82 0.50 -0.06 0.00 -0.52 0.00 0.00 57.07 57.81 1qf7 s TYR 440 Cb -0.37 -0.16 0.03 0.00 0.38 0.00 0.00 41.96 41.85 1qf7 s TYR 440 CO 0.40 -0.19 0.23 -1.01 -1.52 0.00 0.00 175.55 173.45 1qf7 s HIS 441 N 1.53 -0.28 0.01 -3.49 3.76 -1.26 -5.17 115.29 110.40 1qf7 s HIS 441 Ca -0.05 0.67 -0.01 0.00 -0.15 0.00 0.00 55.06 55.52 1qf7 s HIS 441 Cb -0.12 0.06 0.00 0.00 1.11 0.00 0.00 32.58 33.63 1qf7 s HIS 441 CO -0.06 -0.17 0.05 0.27 -0.85 0.00 0.00 174.74 173.98 1qf7 n ASN 442 N 3.60 -0.11 -1.37 1.40 0.23 -1.26 -4.94 115.26 112.81 1qf7 n ASN 442 Ca -0.19 -1.07 0.09 0.00 -0.53 0.00 0.00 54.58 52.88 1qf7 n ASN 442 Cb 0.56 0.18 0.32 0.00 -2.08 0.00 0.00 39.78 38.75 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 -0.04 1.29 -2.29 -2.53 3.72 -1.26 -4.93 117.46 111.42 1qf7 n PHE 443 Ca -0.00 -0.64 -0.41 0.00 -0.05 0.00 0.00 57.45 56.35 1qf7 n PHE 443 Cb 0.03 -0.23 -0.03 0.00 -0.94 0.00 0.00 39.48 38.31 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 -1.89 4.45 0.07 -1.08 -0.21 -1.26 -4.73 119.66 115.01 1qf7 s GLN 444 Ca 0.46 1.99 -0.01 0.00 0.02 0.00 0.00 55.36 57.82 1qf7 s GLN 444 Cb 0.31 -3.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.09 1qf7 s GLN 444 CO 0.21 -0.12 -0.02 1.03 -2.12 0.00 0.00 175.29 174.28 1qf7 s ARG 445 N -0.63 0.71 3.93 2.91 1.81 -1.26 -5.08 118.95 121.33 1qf7 s ARG 445 Ca 0.52 -1.28 0.00 0.00 -1.72 0.00 0.00 55.73 53.25 1qf7 s ARG 445 Cb -0.35 0.16 0.00 0.00 -0.45 0.00 0.00 34.95 34.31 1qf7 s ARG 445 CO 0.40 -0.13 0.00 -0.25 -0.68 0.00 0.00 175.30 174.65 1qf7 n ASP 446 N 0.05 0.00 0.00 0.23 9.92 -1.26 -5.07 116.55 120.42 1qf7 n ASP 446 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1qf7 n ASP 446 Cb 0.62 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.10 1qf7 n ASP 446 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qf7 n GLY 447 N 0.00 -0.74 3.60 0.44 0.00 -1.26 -4.60 105.19 102.64 1qf7 n GLY 447 Ca 0.00 -1.53 -0.46 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.19 1.43 -2.88 1.61 1.56 -1.26 -2.81 117.12 114.58 1qf7 n MET 448 Ca 0.00 0.51 -0.18 0.00 -0.27 0.00 0.00 57.70 57.75 1qf7 n MET 448 Cb 0.00 -1.98 0.03 0.00 2.15 0.00 0.00 33.22 33.42 1qf7 n MET 448 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1qf7 n HIS 449 N 1.01 -1.61 -1.93 1.12 8.25 -1.26 -4.48 115.22 116.32 1qf7 n HIS 449 Ca 0.12 0.43 -0.42 0.00 -0.26 0.00 0.00 57.72 57.58 1qf7 n HIS 449 Cb 0.29 -3.85 -0.03 0.00 1.12 0.00 0.00 29.99 27.52 1qf7 n HIS 449 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1qf7 s ARG 450 N -5.48 3.96 -0.20 -0.41 6.06 -1.12 -4.88 118.95 116.87 1qf7 s ARG 450 Ca 0.25 2.11 -0.12 0.00 -2.50 0.00 0.00 55.73 55.46 1qf7 s ARG 450 Cb -0.11 -4.07 -0.20 0.00 0.06 0.00 0.00 34.95 30.63 1qf7 s ARG 450 CO 0.31 -1.12 0.09 -1.33 -2.50 0.00 0.00 175.30 170.75 1qf7 n MET 451 N 7.52 0.64 -1.75 5.12 2.81 -1.26 -4.94 117.12 125.26 1qf7 n MET 451 Ca 0.19 0.36 -0.42 0.00 -1.81 0.00 0.00 57.70 56.03 1qf7 n MET 451 Cb 0.43 -1.66 -0.03 0.00 -0.71 0.00 0.00 33.22 31.26 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 -5.44 1.38 -0.44 3.03 0.00 -1.26 -4.97 107.32 99.63 1qf7 s GLY 452 Ca -0.30 1.40 -0.14 0.00 0.00 0.00 0.00 44.72 45.68 1qf7 s GLY 452 CO 0.63 3.13 0.33 -0.42 0.00 0.00 0.00 173.10 176.77 1qf7 s ILE 453 N 2.88 4.95 0.01 0.90 1.01 -1.26 -4.99 121.20 124.71 1qf7 s ILE 453 Ca 0.80 -1.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.15 1qf7 s ILE 453 Cb -0.45 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1qf7 s ILE 453 CO 0.36 -0.47 0.86 -1.81 0.00 0.00 0.00 174.94 173.88 1qf7 s ASP 454 N 2.19 7.26 0.00 3.58 1.01 -1.26 -4.96 116.67 124.49 1qf7 s ASP 454 Ca 0.04 1.52 0.18 0.00 0.71 0.00 0.00 52.55 55.00 1qf7 s ASP 454 Cb -0.22 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 1qf7 s ASP 454 CO 0.06 -0.13 0.90 0.35 0.21 0.00 0.00 175.17 176.57 1qf7 n THR 455 N 3.45 0.00 -1.67 -1.27 -2.24 -1.26 -4.95 114.28 106.34 1qf7 n THR 455 Ca 0.02 -0.26 -0.44 0.00 -2.27 0.00 0.00 64.05 61.10 1qf7 n THR 455 Cb 0.51 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.88 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 -0.34 3.92 0.13 3.42 2.85 -1.26 -4.86 115.26 119.11 1qf7 n ASN 456 Ca 0.07 0.95 0.15 0.00 -0.11 0.00 0.00 54.58 55.63 1qf7 n ASN 456 Cb 0.37 -1.49 0.68 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 9.53 0.00 -5.84 1.20 0.11 -1.92 -3.41 132.00 131.65 1qf7 h PRO 457 Ca -0.48 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 64.99 1qf7 h PRO 457 Cb 1.24 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 1qf7 h PRO 457 CO 0.94 0.00 -0.47 0.00 -0.21 0.00 0.00 178.00 178.26 1qf7 s ALA 458 N -5.01 3.94 -0.13 -0.75 0.00 -1.26 -4.99 121.76 113.55 1qf7 s ALA 458 Ca -0.05 -0.73 0.15 0.00 0.00 0.00 0.00 51.96 51.33 1qf7 s ALA 458 Cb 0.18 -1.92 0.31 0.00 0.00 0.00 0.00 23.12 21.70 1qf7 s ALA 458 CO 0.69 0.73 1.16 0.27 0.00 0.00 0.00 175.76 178.61 1qf7 n ASN 459 N 0.89 1.76 -3.91 0.00 2.04 -1.26 -4.98 115.26 109.81 1qf7 n ASN 459 Ca -0.10 -3.17 -0.09 0.00 -0.44 0.00 0.00 54.58 50.79 1qf7 n ASN 459 Cb 0.52 -0.43 -0.08 0.00 -2.53 0.00 0.00 39.78 37.27 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 -2.46 0.24 0.03 -2.53 1.13 -1.26 -4.81 117.35 107.69 1qf7 s TYR 460 Ca 0.31 -0.68 0.01 0.00 -1.41 0.00 0.00 57.07 55.29 1qf7 s TYR 460 Cb 0.29 -0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 41.01 1qf7 s TYR 460 CO -0.02 -0.53 -0.04 -1.83 -2.51 0.00 0.00 175.55 170.61 1qf7 s GLU 461 N -3.88 0.37 0.38 -3.49 4.04 -1.26 -4.08 118.70 110.78 1qf7 s GLU 461 Ca 0.06 -0.62 -0.24 0.00 0.04 0.00 0.00 54.97 54.22 1qf7 s GLU 461 Cb 0.05 -0.04 -0.09 0.00 0.02 0.00 0.00 34.13 34.07 1qf7 s GLU 461 CO -0.10 -0.01 1.01 -1.25 -1.84 0.00 0.00 175.26 173.07 1qf7 s PRO 462 N -1.39 4.28 0.11 -4.83 0.04 -1.26 -5.19 135.00 126.76 1qf7 s PRO 462 Ca -0.13 1.43 0.03 0.00 0.04 0.00 0.00 61.00 62.37 1qf7 s PRO 462 Cb -0.09 -2.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 1qf7 s PRO 462 CO -0.00 -0.02 -0.08 0.54 0.04 0.00 0.00 177.00 177.47 1qf7 s ASN 463 N -1.64 1.41 -0.09 6.66 2.20 -1.26 -5.04 114.94 117.18 1qf7 s ASN 463 Ca 0.56 -0.96 0.13 0.00 -0.94 0.00 0.00 52.86 51.66 1qf7 s ASN 463 Cb -0.20 0.04 -0.20 0.00 -2.00 0.00 0.00 41.25 38.90 1qf7 s ASN 463 CO 0.25 -0.37 0.16 -1.54 -2.94 0.00 0.00 177.10 172.66 1qf7 n SER 464 N 0.07 1.59 0.24 3.54 3.41 -1.26 -1.27 113.62 119.93 1qf7 n SER 464 Ca -0.13 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.64 1qf7 n SER 464 Cb 0.60 1.18 0.62 0.00 -0.26 0.00 0.00 64.21 66.35 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 -0.06 -1.33 3.07 -1.98 -0.08 117.51 117.12 1qf7 h ILE 465 Ca -0.22 -0.47 0.00 0.00 1.55 0.00 0.00 64.86 65.71 1qf7 h ILE 465 Cb 1.38 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.35 1qf7 h ILE 465 CO 0.01 0.00 0.00 -3.20 -1.05 0.00 0.00 178.15 173.91 1qf7 n ASN 466 N -2.90 2.48 -2.69 2.16 5.15 -1.26 -4.87 115.26 113.32 1qf7 n ASN 466 Ca 0.01 -2.65 -0.20 0.00 -0.60 0.00 0.00 54.58 51.13 1qf7 n ASN 466 Cb 0.30 -0.29 0.03 0.00 -0.53 0.00 0.00 39.78 39.28 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 -0.87 -5.74 -1.54 1.20 2.03 -0.05 -2.21 116.55 109.36 1qf7 n ASP 467 Ca 0.11 -0.23 -0.17 0.00 0.52 0.00 0.00 54.79 55.03 1qf7 n ASP 467 Cb 0.53 -4.60 -0.05 0.00 -0.72 0.00 0.00 41.12 36.28 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 -2.09 -5.02 -4.92 1.67 5.15 -0.40 -4.99 115.26 104.66 1qf7 n ASN 468 Ca -0.12 0.25 -0.27 0.00 -0.60 0.00 0.00 54.58 53.84 1qf7 n ASN 468 Cb 0.62 -4.05 -0.03 0.00 -0.53 0.00 0.00 39.78 35.79 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 -2.71 3.48 0.64 1.20 0.52 -0.94 -3.63 118.94 117.50 1qf7 s TRP 469 Ca 0.00 0.41 -0.17 0.00 0.02 0.00 0.00 56.10 56.36 1qf7 s TRP 469 Cb 0.00 -1.91 -0.01 0.00 -1.15 0.00 0.00 33.47 30.40 1qf7 s TRP 469 CO 0.00 0.29 1.16 -1.25 0.02 0.00 0.00 176.95 177.17 1qf7 s PRO 470 N -3.56 2.77 0.06 4.98 0.04 -1.26 -4.90 135.00 133.14 1qf7 s PRO 470 Ca 0.40 1.62 0.03 0.00 0.04 0.00 0.00 61.00 63.09 1qf7 s PRO 470 Cb -0.11 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1qf7 s PRO 470 CO 0.30 -1.32 0.05 1.03 0.04 0.00 0.00 177.00 177.10 1qf7 s ARG 471 N -3.73 2.80 0.79 4.56 0.52 -1.24 -5.02 118.95 117.63 1qf7 s ARG 471 Ca 0.72 -0.70 -0.14 0.00 -0.52 0.00 0.00 55.73 55.09 1qf7 s ARG 471 Cb -0.25 -2.68 0.04 0.00 0.52 0.00 0.00 34.95 32.57 1qf7 s ARG 471 CO 0.38 0.58 0.95 0.39 0.02 0.00 0.00 175.30 177.61 1qf7 n GLU 472 N 0.70 0.24 -3.91 3.54 1.02 -1.26 -5.04 120.64 115.93 1qf7 n GLU 472 Ca -0.10 0.14 -0.21 0.00 -0.02 0.00 0.00 57.16 56.97 1qf7 n GLU 472 Cb 0.52 -2.22 -0.17 0.00 -0.02 0.00 0.00 31.44 29.55 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 -2.04 0.41 0.64 2.62 2.01 -1.26 -5.08 115.64 112.94 1qf7 s THR 473 Ca 0.70 0.04 -0.18 0.00 0.31 0.00 0.00 61.69 62.56 1qf7 s THR 473 Cb -0.31 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 1qf7 s THR 473 CO 0.54 0.24 1.29 -2.65 -0.69 0.00 0.00 174.62 173.34 1qf7 n PRO 474 N 4.69 1.17 -1.32 4.92 -0.02 -1.26 -1.70 135.00 141.47 1qf7 n PRO 474 Ca -0.15 0.45 -0.33 0.00 -2.02 0.00 0.00 63.50 61.45 1qf7 n PRO 474 Cb 0.50 -2.52 0.10 0.00 -0.02 0.00 0.00 33.50 31.56 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 -3.29 2.02 -0.03 0.52 0.04 -1.26 -1.70 135.00 131.30 1qf7 s PRO 475 Ca 0.81 1.64 -0.28 0.00 0.04 0.00 0.00 61.00 63.22 1qf7 s PRO 475 Cb -0.39 -1.83 0.09 0.00 0.04 0.00 0.00 34.50 32.41 1qf7 s PRO 475 CO 0.41 -1.90 1.25 0.41 0.04 0.00 0.00 177.00 177.21 1qf7 n GLY 476 N 0.14 0.21 0.28 0.56 0.00 -1.26 -4.76 105.19 100.36 1qf7 n GLY 476 Ca 0.12 -1.04 0.02 0.00 0.00 0.00 0.00 46.02 45.12 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 0.52 -3.31 1.61 0.11 -1.95 -3.40 132.00 125.58 1qf7 h PRO 477 Ca -0.20 -0.08 -0.13 0.00 0.11 0.00 0.00 66.00 65.70 1qf7 h PRO 477 Cb 1.13 -0.09 -0.20 0.00 0.11 0.00 0.00 31.00 31.95 1qf7 h PRO 477 CO 0.30 0.47 -0.40 0.15 -0.21 0.00 0.00 178.00 178.31 1qf7 s LYS 478 N -5.16 0.56 -0.95 1.05 3.01 -1.26 -4.86 119.74 112.14 1qf7 s LYS 478 Ca -0.08 -0.31 -0.01 0.00 -1.01 0.00 0.00 55.97 54.57 1qf7 s LYS 478 Cb 0.16 0.24 0.01 0.00 -1.01 0.00 0.00 37.83 37.23 1qf7 s LYS 478 CO 0.75 -0.14 0.04 0.54 0.51 0.00 0.00 175.35 177.05 1qf7 n ARG 479 N 1.38 -2.42 -3.16 1.68 5.12 -1.26 -4.97 116.66 113.03 1qf7 n ARG 479 Ca -0.22 0.52 -0.19 0.00 -1.93 0.00 0.00 57.85 56.02 1qf7 n ARG 479 Cb 0.56 -5.12 0.03 0.00 -1.16 0.00 0.00 32.46 26.77 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 -2.08 1.91 0.67 -0.13 0.00 -1.26 -4.96 107.32 101.47 1qf7 s GLY 480 Ca 0.03 -1.88 -0.11 0.00 0.00 0.00 0.00 44.72 42.76 1qf7 s GLY 480 CO 0.04 -1.64 1.05 -0.32 0.00 0.00 0.00 173.10 172.23 1qf7 s GLY 481 N -4.47 1.70 0.02 0.20 0.00 -0.69 -4.77 107.32 99.32 1qf7 s GLY 481 Ca 0.56 0.08 -0.30 0.00 0.00 0.00 0.00 44.72 45.05 1qf7 s GLY 481 CO 0.34 0.38 0.98 -0.12 0.00 0.00 0.00 173.10 174.69 1qf7 s PHE 482 N -3.02 3.68 -0.04 1.90 2.19 -1.26 -3.98 117.98 117.44 1qf7 s PHE 482 Ca 0.58 1.70 0.00 0.00 0.33 0.00 0.00 56.93 59.54 1qf7 s PHE 482 Cb -0.14 -3.12 0.03 0.00 -1.31 0.00 0.00 43.02 38.48 1qf7 s PHE 482 CO 0.53 -0.02 -0.01 -2.00 1.83 0.00 0.00 175.22 175.55 1qf7 s GLU 483 N 0.84 0.52 0.46 10.12 2.12 -1.26 -4.96 118.70 126.53 1qf7 s GLU 483 Ca 0.51 0.03 -0.25 0.00 0.36 0.00 0.00 54.97 55.63 1qf7 s GLU 483 Cb -0.22 -0.69 -0.08 0.00 0.26 0.00 0.00 34.13 33.41 1qf7 s GLU 483 CO 0.28 -0.15 1.35 -1.12 -0.54 0.00 0.00 175.26 175.08 1qf7 s SER 484 N 1.20 5.91 0.17 -1.70 0.01 -1.26 -4.98 113.70 113.06 1qf7 s SER 484 Ca -0.07 2.76 -0.32 0.00 1.31 0.00 0.00 55.95 59.63 1qf7 s SER 484 Cb -0.13 -2.64 -0.11 0.00 0.21 0.00 0.00 66.02 63.35 1qf7 s SER 484 CO -0.02 -1.13 1.66 -0.47 0.41 0.00 0.00 173.24 173.68 1qf7 s TYR 485 N -1.27 2.89 -1.30 2.43 5.04 -1.26 -4.85 117.35 119.04 1qf7 s TYR 485 Ca 0.62 0.44 -0.10 0.00 -2.44 0.00 0.00 57.07 55.60 1qf7 s TYR 485 Cb -0.40 -4.04 -0.07 0.00 0.35 0.00 0.00 41.96 37.81 1qf7 s TYR 485 CO 0.51 -3.92 2.51 1.04 -1.34 0.00 0.00 175.55 174.34 1qf7 n GLN 486 N 4.20 2.88 -1.89 4.97 6.02 -1.26 -4.94 117.38 127.36 1qf7 n GLN 486 Ca 0.15 -1.95 -0.40 0.00 -0.01 0.00 0.00 57.00 54.79 1qf7 n GLN 486 Cb 0.37 -2.73 0.00 0.00 1.02 0.00 0.00 30.24 28.90 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 2.92 3.91 0.10 -1.09 2.12 -1.26 -4.95 118.70 120.45 1qf7 s GLU 487 Ca 0.56 2.37 -0.30 0.00 0.36 0.00 0.00 54.97 57.95 1qf7 s GLU 487 Cb 0.15 -2.78 -0.06 0.00 0.26 0.00 0.00 34.13 31.69 1qf7 s GLU 487 CO -0.04 -0.62 1.04 0.50 -0.54 0.00 0.00 175.26 175.60 1qf7 s ARG 488 N -2.27 4.60 -0.08 4.30 3.52 -1.26 -5.04 118.95 122.72 1qf7 s ARG 488 Ca 0.57 1.57 0.05 0.00 -0.13 0.00 0.00 55.73 57.79 1qf7 s ARG 488 Cb -0.43 -3.36 -0.00 0.00 -1.56 0.00 0.00 34.95 29.60 1qf7 s ARG 488 CO 0.56 0.05 -0.24 0.08 -0.81 0.00 0.00 175.30 174.93 1qf7 s VAL 489 N 0.28 2.06 -0.23 7.11 1.01 -1.26 -5.11 120.40 124.26 1qf7 s VAL 489 Ca 0.50 -1.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 1qf7 s VAL 489 Cb -0.26 -1.77 0.08 0.00 0.00 0.00 0.00 36.38 34.44 1qf7 s VAL 489 CO 0.31 0.56 0.55 -0.70 0.00 0.00 0.00 175.10 175.83 1qf7 s GLU 490 N 0.12 0.54 0.00 2.72 2.12 -1.26 -5.15 118.70 117.79 1qf7 s GLU 490 Ca -0.12 1.07 0.00 0.00 0.36 0.00 0.00 54.97 56.28 1qf7 s GLU 490 Cb -0.16 0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.41 1qf7 s GLU 490 CO 0.07 -0.17 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 1qf7 n GLY 491 N 4.54 -0.04 3.96 -1.50 0.00 -1.26 -5.14 105.19 105.75 1qf7 n GLY 491 Ca -0.19 -1.52 -0.22 0.00 0.00 0.00 0.00 46.02 44.09 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 6.18 -0.41 1.61 0.01 -1.26 -5.02 114.94 116.05 1qf7 s ASN 492 Ca 0.00 0.18 -0.28 0.00 -0.71 0.00 0.00 52.86 52.05 1qf7 s ASN 492 Cb 0.00 -1.75 -0.02 0.00 0.41 0.00 0.00 41.25 39.89 1qf7 s ASN 492 CO 0.00 -0.30 1.83 -0.54 -1.51 0.00 0.00 177.10 176.58 1qf7 s LYS 493 N -4.21 3.12 0.05 -0.60 1.02 -1.26 -4.96 119.74 112.90 1qf7 s LYS 493 Ca 0.40 1.22 0.03 0.00 0.02 0.00 0.00 55.97 57.64 1qf7 s LYS 493 Cb -0.09 -4.26 -0.03 0.00 -0.52 0.00 0.00 37.83 32.93 1qf7 s LYS 493 CO 0.33 -2.12 -0.10 0.14 -0.92 0.00 0.00 175.35 172.68 1qf7 s VAL 494 N 7.61 0.72 -0.89 3.17 -7.23 -1.26 -5.06 120.40 117.45 1qf7 s VAL 494 Ca 0.77 -1.13 -0.13 0.00 -1.81 0.00 0.00 61.98 59.68 1qf7 s VAL 494 Cb -0.20 -0.75 0.23 0.00 0.56 0.00 0.00 36.38 36.23 1qf7 s VAL 494 CO 0.30 -0.32 0.85 -0.13 -0.31 0.00 0.00 175.10 175.49 1qf7 s ARG 495 N -1.59 3.74 -0.14 4.82 0.52 -1.26 -5.01 118.95 120.03 1qf7 s ARG 495 Ca -0.07 -2.63 -0.09 0.00 -0.52 0.00 0.00 55.73 52.41 1qf7 s ARG 495 Cb -0.10 -4.46 0.05 0.00 0.52 0.00 0.00 34.95 30.96 1qf7 s ARG 495 CO 0.01 -1.28 0.35 -2.00 0.02 0.00 0.00 175.30 172.40 1qf7 s GLU 496 N -0.15 0.35 0.18 3.54 2.12 -1.26 -5.14 118.70 118.33 1qf7 s GLU 496 Ca 0.21 0.65 -0.30 0.00 0.36 0.00 0.00 54.97 55.89 1qf7 s GLU 496 Cb -0.10 0.01 -0.08 0.00 0.26 0.00 0.00 34.13 34.22 1qf7 s GLU 496 CO -0.09 -0.13 1.13 0.50 -0.54 0.00 0.00 175.26 176.13 1qf7 s ARG 497 N 1.05 4.56 0.31 4.30 6.06 -1.26 -4.99 118.95 128.99 1qf7 s ARG 497 Ca -0.07 1.76 -0.30 0.00 -2.50 0.00 0.00 55.73 54.63 1qf7 s ARG 497 Cb -0.07 -3.27 -0.11 0.00 0.06 0.00 0.00 34.95 31.56 1qf7 s ARG 497 CO -0.08 0.03 1.56 0.45 -2.50 0.00 0.00 175.30 174.76 1qf7 s SER 498 N -0.04 6.37 0.54 -2.12 0.15 -1.26 -4.87 113.70 112.48 1qf7 s SER 498 Ca 0.50 2.96 0.21 0.00 0.70 0.00 0.00 55.95 60.33 1qf7 s SER 498 Cb -0.30 -2.64 1.46 0.00 -1.71 0.00 0.00 66.02 62.82 1qf7 s SER 498 CO 0.35 -0.90 2.18 -0.65 1.20 0.00 0.00 173.24 175.43 1qf7 h PRO 499 N 4.42 0.00 0.00 5.44 0.11 -2.00 -0.49 132.00 139.48 1qf7 h PRO 499 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1qf7 h PRO 499 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1qf7 h PRO 499 CO 0.76 0.01 0.00 0.66 -0.21 0.00 0.00 178.00 179.22 1qf7 h SER 500 N 0.00 0.00 0.61 -2.05 4.64 -2.03 -1.26 113.55 113.46 1qf7 h SER 500 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qf7 h SER 500 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1qf7 h SER 500 CO 0.00 0.00 -0.50 0.49 -0.87 0.00 0.00 176.83 175.95 1qf7 n PHE 501 N -2.59 0.12 -0.53 4.77 3.01 -0.19 -4.28 117.46 117.78 1qf7 n PHE 501 Ca -0.00 0.04 -0.05 0.00 1.01 0.00 0.00 57.45 58.44 1qf7 n PHE 501 Cb 0.15 -0.36 -0.08 0.00 -0.01 0.00 0.00 39.48 39.18 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 1.46 2.08 2.90 1.37 0.00 -0.48 -4.73 105.19 107.80 1qf7 n GLY 502 Ca 0.05 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 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 1.57 0.08 0.00 1.61 -6.30 -1.26 -5.07 118.70 109.33 1qf7 s GLU 503 Ca 0.31 0.52 0.00 0.00 -2.50 0.00 0.00 54.97 53.30 1qf7 s GLU 503 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 34.13 34.07 1qf7 s GLU 503 CO 0.00 -0.25 0.18 0.66 0.02 0.00 0.00 175.26 175.88 1qf7 n TYR 504 N 4.87 0.00 0.00 5.30 4.01 -1.26 -4.89 117.16 125.20 1qf7 n TYR 504 Ca -0.14 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.61 1qf7 n TYR 504 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.52 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 -0.54 0.00 0.02 -0.72 4.01 -1.26 -4.60 117.16 114.08 1qf7 n TYR 505 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 1qf7 n TYR 505 Cb 0.01 -0.04 0.12 0.00 -0.31 0.00 0.00 39.34 39.13 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 0.51 -0.14 7.72 4.64 -1.90 -1.63 113.55 122.74 1qf7 h SER 506 Ca 0.00 -0.23 -0.06 0.00 -0.47 0.00 0.00 61.79 61.03 1qf7 h SER 506 Cb 0.08 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1qf7 h SER 506 CO 0.00 0.88 -0.13 0.45 -0.87 0.00 0.00 176.83 177.16 1qf7 h HIS 507 N 0.39 0.41 -0.64 4.77 3.86 -1.91 0.28 115.15 122.30 1qf7 h HIS 507 Ca 0.03 -0.12 0.10 0.00 -1.16 0.00 0.00 60.37 59.22 1qf7 h HIS 507 Cb 0.93 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 29.24 1qf7 h HIS 507 CO 0.03 0.73 0.26 -1.35 0.86 0.00 0.00 177.93 178.46 1qf7 h PRO 508 N -0.03 0.44 -0.58 2.45 0.11 -1.80 -0.79 132.00 131.80 1qf7 h PRO 508 Ca 0.02 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 1qf7 h PRO 508 Cb 0.66 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 1qf7 h PRO 508 CO 0.03 0.29 -0.03 -0.09 -0.21 0.00 0.00 178.00 178.00 1qf7 h ARG 509 N 0.45 1.03 -0.84 1.05 2.43 -1.06 -1.25 114.38 116.18 1qf7 h ARG 509 Ca 0.33 -0.33 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1qf7 h ARG 509 Cb 0.40 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1qf7 h ARG 509 CO -0.31 1.02 0.42 1.25 -1.51 0.00 0.00 179.97 180.84 1qf7 h LEU 510 N 0.93 1.08 0.15 3.80 5.85 0.11 -1.11 115.31 126.12 1qf7 h LEU 510 Ca 0.16 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1qf7 h LEU 510 Cb 0.57 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1qf7 h LEU 510 CO 0.03 0.90 -0.07 0.15 -0.34 0.00 0.00 178.44 179.11 1qf7 h PHE 511 N 1.18 -0.18 -0.36 1.25 3.57 -0.88 -2.40 116.94 119.12 1qf7 h PHE 511 Ca 0.29 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.83 1qf7 h PHE 511 Cb 0.09 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 1qf7 h PHE 511 CO 0.01 -0.08 0.10 2.35 -2.23 0.00 0.00 178.31 178.47 1qf7 h TRP 512 N -0.23 0.18 0.00 0.41 2.91 -0.76 -2.28 115.95 116.17 1qf7 h TRP 512 Ca -0.02 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1qf7 h TRP 512 Cb 0.18 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 28.80 1qf7 h TRP 512 CO -0.06 0.06 0.00 -0.07 -1.03 0.00 0.00 178.44 177.35 1qf7 h LEU 513 N 0.24 0.00 -0.21 0.65 3.38 -1.13 -2.62 115.31 115.62 1qf7 h LEU 513 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1qf7 h LEU 513 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1qf7 h LEU 513 CO -0.19 0.00 -0.15 -1.20 0.09 0.00 0.00 178.44 176.99 1qf7 n SER 514 N -2.93 0.47 -4.83 -0.43 7.64 -0.86 -4.86 113.62 107.81 1qf7 n SER 514 Ca 0.01 -0.46 -0.33 0.00 1.01 0.00 0.00 58.87 59.11 1qf7 n SER 514 Cb 0.29 -0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.36 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 -2.58 4.13 0.90 1.43 -1.52 -0.99 -4.28 119.66 116.75 1qf7 s GLN 515 Ca 0.25 1.01 -0.12 0.00 -1.95 0.00 0.00 55.36 54.56 1qf7 s GLN 515 Cb 0.20 -2.20 0.13 0.00 -0.22 0.00 0.00 33.01 30.91 1qf7 s GLN 515 CO 0.51 -0.06 1.09 0.95 -0.25 0.00 0.00 175.29 177.53 1qf7 s THR 516 N -2.26 2.60 0.23 -0.19 -4.23 -1.26 -4.76 115.64 105.77 1qf7 s THR 516 Ca 0.60 0.20 -0.06 0.00 -1.18 0.00 0.00 61.69 61.25 1qf7 s THR 516 Cb -0.09 -2.70 0.19 0.00 1.34 0.00 0.00 72.50 71.23 1qf7 s THR 516 CO 0.18 -0.26 1.76 -0.65 -0.54 0.00 0.00 174.62 175.12 1qf7 h PRO 517 N -1.56 0.54 -0.17 3.99 0.11 -1.97 -0.57 132.00 132.36 1qf7 h PRO 517 Ca -0.50 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 1qf7 h PRO 517 Cb 1.29 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1qf7 h PRO 517 CO 0.55 0.36 -0.41 0.27 -0.21 0.00 0.00 178.00 178.56 1qf7 h PHE 518 N 0.55 0.46 -0.56 0.65 -5.15 -1.97 -2.10 116.94 108.82 1qf7 h PHE 518 Ca 0.37 -0.13 0.01 0.00 -0.20 0.00 0.00 57.97 58.02 1qf7 h PHE 518 Cb 0.45 -0.10 -0.03 0.00 0.22 0.00 0.00 35.95 36.49 1qf7 h PHE 518 CO -0.12 0.74 0.37 0.93 -2.00 0.00 0.00 178.31 178.23 1qf7 h GLU 519 N 0.32 0.74 -0.72 6.09 5.08 -1.75 -1.43 114.58 122.92 1qf7 h GLU 519 Ca 0.03 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1qf7 h GLU 519 Cb 0.86 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 1qf7 h GLU 519 CO 0.07 0.49 0.44 1.96 -1.00 0.00 0.00 179.01 180.97 1qf7 h GLN 520 N 0.76 0.83 -0.66 2.33 4.20 -0.91 -0.87 115.11 120.78 1qf7 h GLN 520 Ca 0.21 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 1qf7 h GLN 520 Cb -0.08 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.48 1qf7 h GLN 520 CO -0.05 0.55 0.27 -0.09 -0.67 0.00 0.00 178.83 178.84 1qf7 h ARG 521 N 0.86 0.99 -0.87 1.46 9.65 -0.98 0.89 114.38 126.38 1qf7 h ARG 521 Ca 0.30 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1qf7 h ARG 521 Cb 0.06 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.43 1qf7 h ARG 521 CO -0.13 0.83 0.49 0.45 2.80 0.00 0.00 179.97 184.41 1qf7 h HIS 522 N 0.94 1.18 -0.28 2.20 3.86 -0.79 0.12 115.15 122.39 1qf7 h HIS 522 Ca 0.22 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.38 1qf7 h HIS 522 Cb 0.20 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 1qf7 h HIS 522 CO 0.01 0.81 0.06 0.82 0.86 0.00 0.00 177.93 180.50 1qf7 h ILE 523 N 1.22 1.22 -0.32 2.45 2.04 -0.61 0.51 117.51 124.01 1qf7 h ILE 523 Ca 0.31 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.49 1qf7 h ILE 523 Cb 0.01 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1qf7 h ILE 523 CO -0.05 0.24 0.07 0.58 0.00 0.00 0.00 178.15 178.99 1qf7 h VAL 524 N 0.28 0.85 -0.44 1.67 2.07 -0.05 -2.16 116.25 118.47 1qf7 h VAL 524 Ca 0.09 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 1qf7 h VAL 524 Cb 0.30 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1qf7 h VAL 524 CO 0.00 0.03 0.04 0.44 0.02 0.00 0.00 177.57 178.11 1qf7 h ASP 525 N 0.19 0.66 0.13 0.57 3.32 -0.55 -1.27 116.42 119.47 1qf7 h ASP 525 Ca 0.15 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1qf7 h ASP 525 Cb 0.16 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1qf7 h ASP 525 CO -0.19 0.70 -0.06 1.23 -1.72 0.00 0.00 179.24 179.20 1qf7 h GLY 526 N 0.92 -0.18 1.07 2.75 0.00 -0.32 -0.55 103.07 106.76 1qf7 h GLY 526 Ca 0.14 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 1qf7 h GLY 526 CO 0.01 -0.07 0.44 0.74 0.00 0.00 0.00 176.54 177.66 1qf7 h PHE 527 N -0.18 1.19 -0.39 5.60 0.04 -1.33 -1.17 116.94 120.69 1qf7 h PHE 527 Ca -0.02 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 1qf7 h PHE 527 Cb 0.14 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 37.90 1qf7 h PHE 527 CO -0.07 0.84 -0.01 0.77 -0.60 0.00 0.00 178.31 179.25 1qf7 h SER 528 N 1.20 0.69 0.34 2.17 0.02 -1.01 0.80 113.55 117.76 1qf7 h SER 528 Ca 0.30 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1qf7 h SER 528 Cb 0.07 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1qf7 h SER 528 CO -0.04 0.83 -0.16 0.15 -1.14 0.00 0.00 176.83 176.46 1qf7 h PHE 529 N 0.52 -0.42 -0.48 3.45 3.04 -1.02 -0.60 116.94 121.43 1qf7 h PHE 529 Ca 0.11 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 1qf7 h PHE 529 Cb 0.48 0.14 -0.02 0.00 2.56 0.00 0.00 35.95 39.11 1qf7 h PHE 529 CO 0.04 -0.19 0.30 0.93 -2.02 0.00 0.00 178.31 177.36 1qf7 h GLU 530 N -0.56 0.65 0.00 1.11 5.08 -1.04 -2.68 114.58 117.14 1qf7 h GLU 530 Ca -0.05 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1qf7 h GLU 530 Cb 0.42 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1qf7 h GLU 530 CO 0.08 0.47 -0.31 -0.07 -1.00 0.00 0.00 179.01 178.17 1qf7 h LEU 531 N 0.65 0.00 -1.83 1.33 3.38 -0.84 -0.86 115.31 117.13 1qf7 h LEU 531 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1qf7 h LEU 531 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1qf7 h LEU 531 CO -0.03 0.31 0.00 0.77 0.09 0.00 0.00 178.44 179.58 1qf7 h SER 532 N 0.00 0.00 0.07 -0.43 4.64 -0.75 -1.04 113.55 116.04 1qf7 h SER 532 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qf7 h SER 532 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1qf7 h SER 532 CO 0.04 0.00 -0.07 0.29 -0.87 0.00 0.00 176.83 176.22 1qf7 n LYS 533 N -3.08 1.37 -2.87 4.77 4.76 -0.33 -4.80 118.16 117.97 1qf7 n LYS 533 Ca -0.00 -0.75 -0.42 0.00 -2.87 0.00 0.00 58.31 54.27 1qf7 n LYS 533 Cb 0.25 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 31.91 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 -2.15 4.78 0.07 -0.18 1.01 -0.40 -4.53 120.40 119.00 1qf7 s VAL 534 Ca 0.35 1.48 -0.19 0.00 0.00 0.00 0.00 61.98 63.62 1qf7 s VAL 534 Cb 0.21 -4.16 -0.11 0.00 0.00 0.00 0.00 36.38 32.31 1qf7 s VAL 534 CO 0.39 -0.17 1.45 0.58 0.00 0.00 0.00 175.10 177.34 1qf7 h VAL 535 N 5.51 1.29 -3.18 2.92 2.07 -1.87 -3.42 116.25 119.59 1qf7 h VAL 535 Ca -0.23 -1.06 -0.56 0.00 0.82 0.00 0.00 66.70 65.68 1qf7 h VAL 535 Cb 1.09 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 32.37 1qf7 h VAL 535 CO 0.90 0.32 1.05 -0.13 0.02 0.00 0.00 177.57 179.73 1qf7 s ARG 536 N -4.72 3.49 0.39 1.57 0.52 -1.26 -4.95 118.95 113.99 1qf7 s ARG 536 Ca -0.14 0.64 0.12 0.00 -0.52 0.00 0.00 55.73 55.83 1qf7 s ARG 536 Cb 0.06 -4.04 0.93 0.00 0.52 0.00 0.00 34.95 32.42 1qf7 s ARG 536 CO 0.75 -1.69 1.89 -1.35 0.02 0.00 0.00 175.30 174.92 1qf7 h PRO 537 N 10.52 0.54 -0.59 3.54 0.11 -1.99 -1.96 132.00 142.17 1qf7 h PRO 537 Ca -0.26 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.87 1qf7 h PRO 537 Cb 1.09 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 1qf7 h PRO 537 CO 1.14 0.36 0.39 0.10 -0.21 0.00 0.00 178.00 179.78 1qf7 h TYR 538 N 0.56 0.59 -0.35 0.65 -0.00 -1.97 -1.16 116.97 115.28 1qf7 h TYR 538 Ca 0.41 0.01 -0.04 0.00 0.00 0.00 0.00 58.73 59.12 1qf7 h TYR 538 Cb 0.79 -0.19 -0.01 0.00 0.00 0.00 0.00 36.73 37.31 1qf7 h TYR 538 CO -0.00 0.32 0.06 0.82 -0.00 0.00 0.00 178.16 179.36 1qf7 h ILE 539 N 0.59 1.23 -0.74 -0.90 2.04 -1.76 0.22 117.51 118.19 1qf7 h ILE 539 Ca 0.25 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.33 1qf7 h ILE 539 Cb 0.25 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1qf7 h ILE 539 CO -0.07 0.27 0.47 0.03 0.00 0.00 0.00 178.15 178.85 1qf7 h ARG 540 N 0.41 0.90 -0.51 2.37 3.08 -1.29 -1.75 114.38 117.58 1qf7 h ARG 540 Ca 0.11 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1qf7 h ARG 540 Cb 0.34 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1qf7 h ARG 540 CO 0.01 0.60 0.30 0.93 -1.07 0.00 0.00 179.97 180.73 1qf7 h GLU 541 N 0.93 0.71 0.00 0.04 5.08 -1.01 -1.55 114.58 118.77 1qf7 h GLU 541 Ca 0.29 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1qf7 h GLU 541 Cb -0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1qf7 h GLU 541 CO -0.10 0.53 -0.24 0.00 -1.00 0.00 0.00 179.01 178.20 1qf7 h ARG 542 N 0.69 0.00 -0.10 2.33 3.08 -0.59 -0.51 114.38 119.28 1qf7 h ARG 542 Ca 0.18 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.04 1qf7 h ARG 542 Cb 0.02 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.08 1qf7 h ARG 542 CO -0.03 0.24 -0.70 0.28 -1.07 0.00 0.00 179.97 178.70 1qf7 h VAL 543 N 0.00 1.32 -0.79 2.04 2.07 -0.86 -2.66 116.25 117.38 1qf7 h VAL 543 Ca -0.00 -1.96 0.05 0.00 0.82 0.00 0.00 66.70 65.60 1qf7 h VAL 543 Cb 0.45 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 1qf7 h VAL 543 CO 0.03 0.60 0.49 0.58 0.02 0.00 0.00 177.57 179.30 1qf7 h VAL 544 N 0.31 1.07 -0.94 2.57 2.07 -0.88 0.41 116.25 120.86 1qf7 h VAL 544 Ca -0.06 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1qf7 h VAL 544 Cb 1.34 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1qf7 h VAL 544 CO 0.14 0.17 0.58 -0.78 0.02 0.00 0.00 177.57 177.71 1qf7 h ASP 545 N 0.93 1.11 -0.55 0.57 3.58 -0.99 -1.86 116.42 119.20 1qf7 h ASP 545 Ca 0.33 -0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.63 1qf7 h ASP 545 Cb 0.10 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 1qf7 h ASP 545 CO -0.14 0.84 -0.04 1.56 -2.88 0.00 0.00 179.24 178.57 1qf7 h GLN 546 N 1.29 1.00 -0.45 0.28 1.08 -0.92 -2.63 115.11 114.76 1qf7 h GLN 546 Ca 0.34 -0.34 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1qf7 h GLN 546 Cb -0.09 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 1qf7 h GLN 546 CO -0.07 1.02 0.30 -0.07 -0.95 0.00 0.00 178.83 179.06 1qf7 h LEU 547 N 0.88 0.52 -1.80 1.46 3.38 -0.40 -1.11 115.31 118.25 1qf7 h LEU 547 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1qf7 h LEU 547 Cb 0.60 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1qf7 h LEU 547 CO 0.04 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.95 1qf7 h ALA 548 N 1.72 1.00 -0.01 1.53 0.00 -0.97 0.75 119.26 123.27 1qf7 h ALA 548 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1qf7 h ALA 548 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1qf7 h ALA 548 CO -0.04 0.00 -0.13 0.72 0.00 0.00 0.00 179.25 179.81 1qf7 n HIS 549 N -2.80 0.00 -0.10 0.00 8.25 -0.42 -4.24 115.22 115.91 1qf7 n HIS 549 Ca -0.01 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.27 1qf7 n HIS 549 Cb 0.18 -0.11 -0.06 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.61 1.35 -3.64 1.59 5.41 0.17 -4.23 119.36 119.40 1qf7 n ILE 550 Ca 0.15 -0.13 -0.07 0.00 1.00 0.00 0.00 62.75 63.70 1qf7 n ILE 550 Cb 0.31 -1.98 -0.07 0.00 -0.71 0.00 0.00 39.64 37.19 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 -6.65 -0.80 0.23 4.38 2.15 -0.68 -4.63 116.67 110.67 1qf7 s ASP 551 Ca -0.29 1.33 0.03 0.00 0.43 0.00 0.00 52.55 54.04 1qf7 s ASP 551 Cb 0.09 1.33 0.24 0.00 -0.30 0.00 0.00 42.92 44.28 1qf7 s ASP 551 CO 0.39 -0.21 1.56 0.25 -0.17 0.00 0.00 175.17 176.99 1qf7 h LEU 552 N 6.37 0.34 -0.32 -1.34 7.12 -1.81 -1.40 115.31 124.27 1qf7 h LEU 552 Ca -0.29 -0.19 -0.05 0.00 0.13 0.00 0.00 57.88 57.48 1qf7 h LEU 552 Cb 1.21 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 41.23 1qf7 h LEU 552 CO 0.15 0.84 -0.01 0.74 -0.13 0.00 0.00 178.44 180.03 1qf7 h THR 553 N 0.23 1.26 -0.14 1.05 2.02 -1.96 -0.07 112.91 115.29 1qf7 h THR 553 Ca -0.00 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.21 1qf7 h THR 553 Cb 1.08 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 1qf7 h THR 553 CO 0.09 0.31 0.09 0.25 0.37 0.00 0.00 175.52 176.64 1qf7 h LEU 554 N 0.36 0.17 -0.56 2.58 6.46 -1.89 -2.25 115.31 120.17 1qf7 h LEU 554 Ca 0.09 -0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.75 1qf7 h LEU 554 Cb 0.45 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1qf7 h LEU 554 CO 0.02 0.15 0.10 0.00 -0.62 0.00 0.00 178.44 178.09 1qf7 h ALA 555 N 1.03 0.75 -0.54 1.25 0.00 -1.12 -1.98 119.26 118.65 1qf7 h ALA 555 Ca 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1qf7 h ALA 555 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1qf7 h ALA 555 CO -0.01 0.48 0.19 1.96 0.00 0.00 0.00 179.25 181.87 1qf7 h GLN 556 N 0.82 0.82 -0.51 0.00 4.20 -0.95 0.70 115.11 120.19 1qf7 h GLN 556 Ca 0.17 -0.16 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 1qf7 h GLN 556 Cb 0.40 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1qf7 h GLN 556 CO 0.01 0.74 -0.12 0.00 -0.67 0.00 0.00 178.83 178.78 1qf7 h ALA 557 N 1.04 0.81 0.06 3.87 0.00 -1.22 -1.20 119.26 122.63 1qf7 h ALA 557 Ca 0.18 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1qf7 h ALA 557 Cb 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1qf7 h ALA 557 CO -0.01 0.66 -0.03 0.28 0.00 0.00 0.00 179.25 180.15 1qf7 h VAL 558 N 0.86 1.15 -0.97 0.00 2.07 -1.14 -2.60 116.25 115.62 1qf7 h VAL 558 Ca 0.13 -0.72 0.17 0.00 0.82 0.00 0.00 66.70 67.10 1qf7 h VAL 558 Cb 0.67 1.62 -0.10 0.00 -1.52 0.00 0.00 31.29 31.96 1qf7 h VAL 558 CO 0.05 0.18 0.58 0.00 0.02 0.00 0.00 177.57 178.39 1qf7 h ALA 559 N 0.51 1.56 -0.57 1.67 0.00 -0.80 -1.38 119.26 120.24 1qf7 h ALA 559 Ca -0.01 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1qf7 h ALA 559 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1qf7 h ALA 559 CO 0.01 -0.02 0.06 -0.22 0.00 0.00 0.00 179.25 179.09 1qf7 h LYS 560 N 0.77 0.97 0.00 0.00 3.64 -1.13 0.64 116.57 121.46 1qf7 h LYS 560 Ca 0.54 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1qf7 h LYS 560 Cb 0.78 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1qf7 h LYS 560 CO -0.36 0.94 -0.01 -0.91 -2.27 0.00 0.00 179.45 176.84 1qf7 h ASN 561 N 0.86 0.00 -0.38 4.20 2.35 -0.87 -2.38 115.58 119.36 1qf7 h ASN 561 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1qf7 h ASN 561 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1qf7 h ASN 561 CO 0.02 0.01 0.00 0.18 -1.65 0.00 0.00 177.43 175.99 1qf7 n LEU 562 N -3.13 3.45 -3.01 1.61 4.77 -0.50 -4.95 117.00 115.23 1qf7 n LEU 562 Ca -0.01 -1.50 -0.22 0.00 -0.03 0.00 0.00 56.01 54.24 1qf7 n LEU 562 Cb 0.22 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1qf7 n LEU 562 CO 0.25 0.74 -0.02 0.61 -1.33 0.00 0.00 177.39 177.64 1qf7 n GLY 563 N 1.48 -0.52 3.71 -0.72 0.00 -0.47 -5.00 105.19 103.67 1qf7 n GLY 563 Ca 0.19 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.15 4.57 -0.14 -0.61 1.01 0.10 -5.02 121.20 117.96 1qf7 s ILE 564 Ca 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.78 1qf7 s ILE 564 Cb -0.13 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 1qf7 s ILE 564 CO 0.36 0.59 -0.09 -0.70 0.00 0.00 0.00 174.94 175.10 1qf7 s GLU 565 N -0.74 3.49 0.40 2.79 2.12 -1.26 -4.03 118.70 121.46 1qf7 s GLU 565 Ca 0.12 -0.62 -0.25 0.00 0.36 0.00 0.00 54.97 54.57 1qf7 s GLU 565 Cb -0.12 -2.76 -0.09 0.00 0.26 0.00 0.00 34.13 31.43 1qf7 s GLU 565 CO 0.02 0.20 1.17 -0.51 -0.54 0.00 0.00 175.26 175.61 1qf7 s LEU 566 N 0.42 4.21 0.91 2.70 1.43 -1.26 -5.03 118.68 122.06 1qf7 s LEU 566 Ca -0.07 2.36 -0.14 0.00 -1.03 0.00 0.00 54.13 55.25 1qf7 s LEU 566 Cb -0.15 -4.00 0.15 0.00 0.03 0.00 0.00 46.19 42.22 1qf7 s LEU 566 CO 0.04 -0.66 1.21 0.42 0.23 0.00 0.00 176.35 177.59 1qf7 s THR 567 N -1.40 1.97 0.20 5.49 -4.23 -1.26 -4.88 115.64 111.53 1qf7 s THR 567 Ca 0.57 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 61.00 1qf7 s THR 567 Cb -0.31 -2.91 0.11 0.00 1.34 0.00 0.00 72.50 70.73 1qf7 s THR 567 CO 0.39 0.00 1.71 0.44 -0.54 0.00 0.00 174.62 176.62 1qf7 h ASP 568 N -1.47 1.06 0.72 3.99 3.32 -1.98 -0.97 116.42 121.08 1qf7 h ASP 568 Ca -0.46 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 56.28 1qf7 h ASP 568 Cb 1.30 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1qf7 h ASP 568 CO 0.53 1.03 -0.33 -2.24 -1.72 0.00 0.00 179.24 176.52 1qf7 h ASP 569 N 1.04 0.00 0.03 6.45 3.04 -1.97 -2.31 116.42 122.70 1qf7 h ASP 569 Ca 0.21 0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 53.82 1qf7 h ASP 569 Cb 0.41 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.70 1qf7 h ASP 569 CO 0.01 0.33 -0.62 1.56 -2.04 0.00 0.00 179.24 178.48 1qf7 h GLN 570 N 0.00 0.57 0.00 4.15 4.20 -1.77 -2.07 115.11 120.19 1qf7 h GLN 570 Ca -0.00 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.31 1qf7 h GLN 570 Cb 0.78 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 1qf7 h GLN 570 CO 0.04 1.01 -0.00 -0.07 -0.67 0.00 0.00 178.83 179.15 1qf7 h LEU 571 N 0.43 0.00 -2.58 1.46 3.38 -0.66 -2.03 115.31 115.30 1qf7 h LEU 571 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1qf7 h LEU 571 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1qf7 h LEU 571 CO 0.12 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.24 1qf7 n ASN 572 N -3.09 3.49 -4.72 -0.43 3.02 -0.81 -4.96 115.26 107.77 1qf7 n ASN 572 Ca -0.01 -1.97 -0.42 0.00 -0.03 0.00 0.00 54.58 52.15 1qf7 n ASN 572 Cb 0.18 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 38.99 1qf7 n ASN 572 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1qf7 s ILE 573 N -1.14 2.37 0.12 2.41 1.01 -0.77 -4.93 121.20 120.27 1qf7 s ILE 573 Ca 0.39 0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.98 1qf7 s ILE 573 Cb 0.21 -3.16 -0.07 0.00 0.01 0.00 0.00 42.46 39.45 1qf7 s ILE 573 CO 0.28 0.02 1.24 0.28 0.00 0.00 0.00 174.94 176.76 1qf7 s THR 574 N 1.27 3.70 0.63 2.92 -1.32 -1.26 -4.97 115.64 116.61 1qf7 s THR 574 Ca 0.73 1.29 -0.18 0.00 -1.21 0.00 0.00 61.69 62.31 1qf7 s THR 574 Cb -0.46 -3.83 -0.02 0.00 -1.51 0.00 0.00 72.50 66.69 1qf7 s THR 574 CO 0.32 0.14 1.28 -2.16 -2.21 0.00 0.00 174.62 171.99 1qf7 s PRO 575 N 0.59 2.65 0.81 7.08 0.05 -1.26 -4.95 135.00 139.97 1qf7 s PRO 575 Ca 0.58 2.02 -0.11 0.00 0.05 0.00 0.00 61.00 63.54 1qf7 s PRO 575 Cb -0.32 -1.87 0.08 0.00 0.05 0.00 0.00 34.50 32.44 1qf7 s PRO 575 CO 0.32 -1.51 1.11 -1.25 0.05 0.00 0.00 177.00 175.72 1qf7 s PRO 576 N -3.36 1.91 0.89 0.56 0.04 -1.26 -5.01 135.00 128.78 1qf7 s PRO 576 Ca 0.82 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 63.07 1qf7 s PRO 576 Cb -0.36 -1.85 0.13 0.00 0.04 0.00 0.00 34.50 32.46 1qf7 s PRO 576 CO 0.38 -1.92 1.11 -1.25 0.04 0.00 0.00 177.00 175.36 1qf7 s PRO 577 N -4.75 1.24 1.03 0.56 0.04 -1.26 -4.93 135.00 126.94 1qf7 s PRO 577 Ca 0.64 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 1qf7 s PRO 577 Cb -0.19 -1.77 0.21 0.00 0.04 0.00 0.00 34.50 32.78 1qf7 s PRO 577 CO 0.55 -2.38 1.09 -0.51 0.04 0.00 0.00 177.00 175.80 1qf7 s ASP 578 N -2.99 1.96 -0.46 6.66 1.01 -1.26 -4.71 116.67 116.88 1qf7 s ASP 578 Ca 0.65 1.91 -0.15 0.00 0.71 0.00 0.00 52.55 55.67 1qf7 s ASP 578 Cb -0.21 -2.47 0.07 0.00 1.01 0.00 0.00 42.92 41.32 1qf7 s ASP 578 CO 0.58 -3.66 0.37 -0.69 0.21 0.00 0.00 175.17 171.99 1qf7 s VAL 579 N -2.55 5.13 -1.45 -1.27 1.01 -1.18 -4.33 120.40 115.77 1qf7 s VAL 579 Ca 0.68 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 1qf7 s VAL 579 Cb -0.24 -4.05 0.05 0.00 0.00 0.00 0.00 36.38 32.14 1qf7 s VAL 579 CO 0.61 -0.54 0.88 0.59 0.00 0.00 0.00 175.10 176.64 1qf7 n ASN 580 N 5.17 -3.51 0.00 3.32 4.13 -1.26 -1.12 115.26 121.98 1qf7 n ASN 580 Ca -0.12 -0.79 0.00 0.00 1.68 0.00 0.00 54.58 55.35 1qf7 n ASN 580 Cb 0.44 -3.97 0.00 0.00 -1.54 0.00 0.00 39.78 34.70 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 -1.67 1.93 3.75 7.41 0.00 -1.26 -5.00 105.19 110.36 1qf7 n GLY 581 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 4.50 0.00 0.99 1.02 -0.28 -4.92 118.68 119.99 1qf7 s LEU 582 Ca 0.00 1.54 0.14 0.00 0.02 0.00 0.00 54.13 55.83 1qf7 s LEU 582 Cb 0.00 -3.28 0.25 0.00 0.02 0.00 0.00 46.19 43.18 1qf7 s LEU 582 CO 0.00 0.08 1.13 0.29 0.02 0.00 0.00 176.35 177.87 1qf7 n LYS 583 N 2.38 1.88 0.00 1.70 5.02 -1.26 -3.11 118.16 124.77 1qf7 n LYS 583 Ca -0.03 -1.76 0.00 0.00 -2.02 0.00 0.00 58.31 54.50 1qf7 n LYS 583 Cb 0.50 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 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 0.79 0.00 -3.39 1.97 2.85 -1.26 -4.73 118.16 114.38 1qf7 n LYS 584 Ca 0.11 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.24 1qf7 n LYS 584 Cb 0.41 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.70 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 0.93 0.60 -5.58 -1.08 -1.26 -5.01 116.67 105.26 1qf7 s ASP 585 Ca 0.00 -0.24 0.40 0.00 -0.52 0.00 0.00 52.55 52.19 1qf7 s ASP 585 Cb 0.00 0.77 2.06 0.00 -1.46 0.00 0.00 42.92 44.29 1qf7 s ASP 585 CO 0.00 -0.34 2.21 1.55 0.52 0.00 0.00 175.17 179.11 1qf7 h PRO 586 N 8.23 0.00 0.00 4.34 0.13 -1.98 -1.04 132.00 141.69 1qf7 h PRO 586 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1qf7 h PRO 586 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1qf7 h PRO 586 CO 0.29 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.72 1qf7 h SER 587 N 0.00 0.00 1.03 1.44 4.64 -1.96 -1.98 113.55 116.72 1qf7 h SER 587 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qf7 h SER 587 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1qf7 h SER 587 CO 0.00 0.00 -0.11 0.18 -0.87 0.00 0.00 176.83 176.03 1qf7 n LEU 588 N -2.40 0.30 -4.88 5.97 4.77 -0.39 -4.85 117.00 115.52 1qf7 n LEU 588 Ca -0.00 0.43 -0.31 0.00 -0.03 0.00 0.00 56.01 56.09 1qf7 n LEU 588 Cb 0.12 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 40.76 1qf7 n LEU 588 CO 0.15 -0.03 0.16 -0.55 -1.33 0.00 0.00 177.39 175.80 1qf7 s SER 589 N -3.43 6.57 0.14 -1.43 0.15 -0.74 -4.92 113.70 110.03 1qf7 s SER 589 Ca 0.12 0.80 -0.04 0.00 0.70 0.00 0.00 55.95 57.54 1qf7 s SER 589 Cb 0.17 -2.18 -0.06 0.00 -1.71 0.00 0.00 66.02 62.24 1qf7 s SER 589 CO 0.58 -0.05 1.33 -0.07 1.20 0.00 0.00 173.24 176.23 1qf7 h LEU 590 N 2.51 0.52 0.00 3.45 3.38 -1.88 -3.41 115.31 119.88 1qf7 h LEU 590 Ca -0.47 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.10 1qf7 h LEU 590 Cb 1.17 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1qf7 h LEU 590 CO 0.70 1.19 -0.19 -1.22 0.09 0.00 0.00 178.44 179.00 1qf7 n TYR 591 N -3.76 0.00 -0.33 1.13 4.01 -1.26 -4.73 117.16 112.22 1qf7 n TYR 591 Ca -0.06 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.74 1qf7 n TYR 591 Cb 0.81 0.00 0.25 0.00 -0.31 0.00 0.00 39.34 40.09 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 1.54 -3.02 -0.72 0.00 -1.85 -3.34 119.26 111.87 1qf7 h ALA 592 Ca 0.00 -0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.22 1qf7 h ALA 592 Cb 0.00 -0.23 -0.26 0.00 0.00 0.00 0.00 17.79 17.29 1qf7 h ALA 592 CO 0.00 0.27 -0.60 0.42 0.00 0.00 0.00 179.25 179.33 1qf7 s ILE 593 N -5.91 4.02 0.04 0.00 -1.09 -1.26 -5.07 121.20 111.93 1qf7 s ILE 593 Ca -0.12 -0.79 -0.36 0.00 -2.23 0.00 0.00 60.65 57.16 1qf7 s ILE 593 Cb 0.21 -3.13 -0.15 0.00 -1.58 0.00 0.00 42.46 37.81 1qf7 s ILE 593 CO 0.80 -0.01 1.58 -0.81 -1.23 0.00 0.00 174.94 175.27 1qf7 n PRO 594 N 4.87 1.73 -1.69 2.79 -0.04 -1.25 -4.86 135.00 136.55 1qf7 n PRO 594 Ca -0.14 0.63 0.01 0.00 -0.04 0.00 0.00 63.50 63.96 1qf7 n PRO 594 Cb 0.47 -2.36 0.01 0.00 -0.04 0.00 0.00 33.50 31.58 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 3.94 0.62 -4.77 3.54 5.75 -1.26 -5.13 116.55 119.24 1qf7 n ASP 595 Ca 0.19 -2.01 -0.38 0.00 -0.01 0.00 0.00 54.79 52.58 1qf7 n ASP 595 Cb 0.24 -0.18 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 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 -2.08 2.85 -0.16 6.12 0.00 -1.26 -3.92 107.32 108.87 1qf7 s GLY 596 Ca 0.26 0.97 -0.04 0.00 0.00 0.00 0.00 44.72 45.91 1qf7 s GLY 596 CO -0.12 1.48 0.22 -0.35 0.00 0.00 0.00 173.10 174.33 1qf7 s ASP 597 N -1.16 1.06 0.38 1.64 -1.08 -1.25 -4.95 116.67 111.32 1qf7 s ASP 597 Ca 0.58 0.04 0.20 0.00 -0.52 0.00 0.00 52.55 52.86 1qf7 s ASP 597 Cb -0.31 0.42 0.45 0.00 -1.46 0.00 0.00 42.92 42.02 1qf7 s ASP 597 CO 0.38 -0.29 1.62 1.62 0.52 0.00 0.00 175.17 179.02 1qf7 h VAL 598 N 6.32 0.54 -2.55 1.11 3.04 -1.89 -3.45 116.25 119.37 1qf7 h VAL 598 Ca -0.16 -1.53 -0.53 0.00 -1.01 0.00 0.00 66.70 63.48 1qf7 h VAL 598 Cb 1.14 2.09 0.05 0.00 -2.01 0.00 0.00 31.29 32.55 1qf7 h VAL 598 CO 0.23 0.28 1.08 1.17 -1.01 0.00 0.00 177.57 179.31 1qf7 n LYS 599 N -3.24 2.80 -0.04 4.17 4.81 -1.25 -1.51 118.16 123.90 1qf7 n LYS 599 Ca 0.02 1.01 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 1qf7 n LYS 599 Cb 0.58 -2.90 0.00 0.00 0.02 0.00 0.00 35.03 32.73 1qf7 n LYS 599 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qf7 n GLY 600 N 4.15 0.86 3.73 3.14 0.00 -0.25 -4.97 105.19 111.85 1qf7 n GLY 600 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.70 0.62 0.01 1.61 1.81 -0.57 -4.81 118.95 116.92 1qf7 s ARG 601 Ca 0.00 0.31 0.00 0.00 -1.72 0.00 0.00 55.73 54.32 1qf7 s ARG 601 Cb 0.00 -1.78 -0.01 0.00 -0.45 0.00 0.00 34.95 32.71 1qf7 s ARG 601 CO 0.00 -2.55 -0.02 0.54 -0.68 0.00 0.00 175.30 172.59 1qf7 s VAL 602 N -3.16 0.07 -0.04 3.52 0.11 -1.26 -0.83 120.40 118.81 1qf7 s VAL 602 Ca 0.65 -0.49 0.06 0.00 -2.93 0.00 0.00 61.98 59.27 1qf7 s VAL 602 Cb -0.16 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.53 1qf7 s VAL 602 CO 0.55 -0.27 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.15 1qf7 s VAL 603 N -0.79 1.77 0.00 2.04 1.01 0.11 -0.89 120.40 123.66 1qf7 s VAL 603 Ca -0.09 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 60.74 1qf7 s VAL 603 Cb -0.05 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 1qf7 s VAL 603 CO -0.01 0.50 0.69 0.00 0.00 0.00 0.00 175.10 176.28 1qf7 s ALA 604 N -0.25 3.40 -0.24 5.51 0.00 -0.22 -0.81 121.76 129.16 1qf7 s ALA 604 Ca 0.01 0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.13 1qf7 s ALA 604 Cb -0.11 -2.90 0.03 0.00 0.00 0.00 0.00 23.12 20.14 1qf7 s ALA 604 CO 0.02 0.06 -0.10 0.42 0.00 0.00 0.00 175.76 176.16 1qf7 s ILE 605 N 0.08 2.61 -0.54 0.00 1.01 -0.20 -0.84 121.20 123.32 1qf7 s ILE 605 Ca 0.36 -1.10 -0.25 0.00 0.00 0.00 0.00 60.65 59.65 1qf7 s ILE 605 Cb -0.19 -2.32 0.04 0.00 0.01 0.00 0.00 42.46 40.00 1qf7 s ILE 605 CO 0.20 0.23 0.99 -0.76 0.00 0.00 0.00 174.94 175.60 1qf7 s LEU 606 N 1.28 3.95 0.74 2.97 1.43 -0.89 -0.56 118.68 127.59 1qf7 s LEU 606 Ca -0.00 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 1qf7 s LEU 606 Cb -0.16 -2.97 0.03 0.00 0.03 0.00 0.00 46.19 43.12 1qf7 s LEU 606 CO -0.06 -1.25 1.12 -0.76 0.23 0.00 0.00 176.35 175.63 1qf7 s LEU 607 N 4.13 2.78 0.33 1.79 1.43 0.12 -4.33 118.68 124.93 1qf7 s LEU 607 Ca 0.34 1.04 0.03 0.00 -1.03 0.00 0.00 54.13 54.52 1qf7 s LEU 607 Cb -0.11 -3.75 -0.04 0.00 0.03 0.00 0.00 46.19 42.32 1qf7 s LEU 607 CO 0.22 -1.52 0.12 0.54 0.23 0.00 0.00 176.35 175.93 1qf7 s ASN 608 N -4.40 1.95 0.00 2.29 2.20 -1.26 -4.83 114.94 110.89 1qf7 s ASN 608 Ca 0.59 -1.51 0.14 0.00 -0.94 0.00 0.00 52.86 51.14 1qf7 s ASN 608 Cb -0.11 0.27 0.84 0.00 -2.00 0.00 0.00 41.25 40.25 1qf7 s ASN 608 CO 0.51 -0.81 1.50 -0.90 -2.94 0.00 0.00 177.10 174.46 1qf7 n ASP 609 N -0.88 0.00 -2.92 3.54 5.68 -1.26 -3.82 116.55 116.90 1qf7 n ASP 609 Ca -0.02 -1.45 -0.13 0.00 -0.50 0.00 0.00 54.79 52.69 1qf7 n ASP 609 Cb 0.66 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.66 1qf7 n ASP 609 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1qf7 n GLU 610 N -0.73 0.89 -1.96 0.11 -0.58 -1.26 -4.27 120.64 112.84 1qf7 n GLU 610 Ca 0.11 -2.42 -0.41 0.00 -0.42 0.00 0.00 57.16 54.01 1qf7 n GLU 610 Cb 0.05 -1.33 -0.02 0.00 -0.57 0.00 0.00 31.44 29.57 1qf7 n GLU 610 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1qf7 s VAL 611 N -0.46 2.49 -0.47 2.62 1.01 -1.25 -2.69 120.40 121.66 1qf7 s VAL 611 Ca 0.31 0.43 -0.27 0.00 0.00 0.00 0.00 61.98 62.45 1qf7 s VAL 611 Cb 0.27 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1qf7 s VAL 611 CO -0.12 0.08 1.82 -0.60 0.00 0.00 0.00 175.10 176.28 1qf7 s ARG 612 N -0.91 2.99 0.56 2.72 3.52 -0.62 -1.08 118.95 126.13 1qf7 s ARG 612 Ca 0.57 1.03 0.25 0.00 -0.13 0.00 0.00 55.73 57.45 1qf7 s ARG 612 Cb -0.43 -4.28 1.63 0.00 -1.56 0.00 0.00 34.95 30.30 1qf7 s ARG 612 CO 0.49 -2.28 2.22 0.66 -0.81 0.00 0.00 175.30 175.58 1qf7 h SER 613 N 13.90 0.00 -0.03 -2.12 4.64 -1.91 -1.86 113.55 126.18 1qf7 h SER 613 Ca -0.29 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.94 1qf7 h SER 613 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1qf7 h SER 613 CO 1.12 0.00 -0.24 0.00 -0.87 0.00 0.00 176.83 176.85 1qf7 h ALA 614 N 2.00 1.16 0.03 5.18 0.00 -1.99 -1.42 119.26 124.23 1qf7 h ALA 614 Ca -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1qf7 h ALA 614 Cb 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1qf7 h ALA 614 CO 0.00 0.53 -0.02 -0.44 0.00 0.00 0.00 179.25 179.33 1qf7 h ASP 615 N 0.39 -0.04 -0.80 0.00 3.32 -1.69 -2.59 116.42 115.01 1qf7 h ASP 615 Ca 0.06 -0.45 0.07 0.00 0.02 0.00 0.00 57.03 56.73 1qf7 h ASP 615 Cb 0.63 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.12 1qf7 h ASP 615 CO 0.04 0.44 0.47 -0.07 -1.72 0.00 0.00 179.24 178.41 1qf7 h LEU 616 N -0.53 0.72 -0.43 1.55 3.38 -1.41 0.44 115.31 119.03 1qf7 h LEU 616 Ca -0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1qf7 h LEU 616 Cb 0.48 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1qf7 h LEU 616 CO 0.01 0.44 0.10 -0.07 0.09 0.00 0.00 178.44 179.01 1qf7 h LEU 617 N 0.84 0.65 -0.44 1.67 3.38 -1.32 0.20 115.31 120.30 1qf7 h LEU 617 Ca 0.36 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1qf7 h LEU 617 Cb 0.24 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1qf7 h LEU 617 CO -0.20 0.72 0.29 0.00 0.09 0.00 0.00 178.44 179.34 1qf7 h ALA 618 N 0.96 0.56 0.43 1.53 0.00 -1.00 -0.95 119.26 120.77 1qf7 h ALA 618 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1qf7 h ALA 618 Cb 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1qf7 h ALA 618 CO 0.00 0.01 -0.20 0.82 0.00 0.00 0.00 179.25 179.88 1qf7 h ILE 619 N 0.60 0.55 -0.45 0.00 2.04 -0.63 -2.68 117.51 116.94 1qf7 h ILE 619 Ca 0.16 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 1qf7 h ILE 619 Cb -0.07 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1qf7 h ILE 619 CO -0.04 0.06 0.12 -0.07 0.00 0.00 0.00 178.15 178.23 1qf7 h LEU 620 N -0.79 0.61 -0.50 1.44 3.38 -0.53 -2.01 115.31 116.92 1qf7 h LEU 620 Ca -0.06 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.66 1qf7 h LEU 620 Cb 0.54 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1qf7 h LEU 620 CO 0.10 0.60 -0.56 0.50 0.09 0.00 0.00 178.44 179.16 1qf7 h LYS 621 N 0.65 0.56 -0.49 1.13 3.64 -1.23 -1.59 116.57 119.25 1qf7 h LYS 621 Ca 0.15 -0.36 -0.07 0.00 -1.27 0.00 0.00 60.65 59.10 1qf7 h LYS 621 Cb 0.22 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1qf7 h LYS 621 CO -0.01 0.97 0.02 0.00 -2.27 0.00 0.00 179.45 178.16 1qf7 h ALA 622 N 0.95 0.66 -0.18 5.00 0.00 -1.16 -1.45 119.26 123.09 1qf7 h ALA 622 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1qf7 h ALA 622 Cb 1.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1qf7 h ALA 622 CO 0.11 0.46 0.07 -0.07 0.00 0.00 0.00 179.25 179.81 1qf7 h LEU 623 N 0.72 0.25 -1.03 0.00 3.38 -1.28 -2.71 115.31 114.64 1qf7 h LEU 623 Ca 0.14 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1qf7 h LEU 623 Cb 0.49 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1qf7 h LEU 623 CO 0.02 0.36 0.65 0.50 0.09 0.00 0.00 178.44 180.06 1qf7 h LYS 624 N 0.13 1.17 0.00 1.13 3.11 -1.16 -0.65 116.57 120.30 1qf7 h LYS 624 Ca 0.06 -0.07 -0.03 0.00 -2.81 0.00 0.00 60.65 57.80 1qf7 h LYS 624 Cb 0.19 -0.26 -0.00 0.00 -1.00 0.00 0.00 32.23 31.15 1qf7 h LYS 624 CO -0.00 0.77 -0.12 0.00 -2.81 0.00 0.00 179.45 177.28 1qf7 h ALA 625 N 1.45 1.41 -0.20 5.00 0.00 -0.93 -1.92 119.26 124.06 1qf7 h ALA 625 Ca 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1qf7 h ALA 625 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1qf7 h ALA 625 CO -0.15 0.15 0.00 1.63 0.00 0.00 0.00 179.25 180.89 1qf7 n LYS 626 N -3.83 2.02 -1.48 0.00 4.76 -0.81 -4.96 118.16 113.85 1qf7 n LYS 626 Ca -0.02 -1.90 -0.04 0.00 -2.87 0.00 0.00 58.31 53.48 1qf7 n LYS 626 Cb 0.22 -1.40 -0.01 0.00 -1.84 0.00 0.00 35.03 32.00 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 1.14 0.51 3.76 0.72 0.00 -0.72 -3.77 105.19 106.83 1qf7 n GLY 627 Ca 0.14 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.18 4.99 0.46 1.61 1.01 -0.32 -1.10 120.40 124.88 1qf7 s VAL 628 Ca 0.00 1.11 -0.00 0.00 0.00 0.00 0.00 61.98 63.09 1qf7 s VAL 628 Cb 0.00 -3.87 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 1qf7 s VAL 628 CO 0.00 0.42 0.69 -1.00 0.00 0.00 0.00 175.10 175.21 1qf7 s HIS 629 N -0.13 3.22 0.09 5.22 3.76 -0.01 -3.91 115.29 123.53 1qf7 s HIS 629 Ca 0.29 0.25 0.04 0.00 -0.15 0.00 0.00 55.06 55.49 1qf7 s HIS 629 Cb -0.17 -2.35 -0.03 0.00 1.11 0.00 0.00 32.58 31.14 1qf7 s HIS 629 CO 0.15 -0.40 -0.11 0.00 -0.85 0.00 0.00 174.74 173.53 1qf7 s ALA 630 N -2.59 1.11 -0.10 -1.40 0.00 -1.26 -0.71 121.76 116.81 1qf7 s ALA 630 Ca 0.49 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 1qf7 s ALA 630 Cb -0.10 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.03 1qf7 s ALA 630 CO 0.38 0.04 -0.06 -1.59 0.00 0.00 0.00 175.76 174.53 1qf7 s LYS 631 N -2.35 1.30 -0.41 0.00 -2.85 0.01 -4.89 119.74 110.55 1qf7 s LYS 631 Ca 0.02 -0.17 -0.29 0.00 -1.00 0.00 0.00 55.97 54.53 1qf7 s LYS 631 Cb -0.06 -1.45 0.02 0.00 -2.06 0.00 0.00 37.83 34.28 1qf7 s LYS 631 CO 0.01 -0.28 1.09 -0.51 0.10 0.00 0.00 175.35 175.76 1qf7 s LEU 632 N 1.77 3.78 0.10 2.77 1.43 -1.26 -1.03 118.68 126.23 1qf7 s LEU 632 Ca 0.05 0.68 0.05 0.00 -1.03 0.00 0.00 54.13 53.88 1qf7 s LEU 632 Cb -0.13 -3.51 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 1qf7 s LEU 632 CO -0.08 -1.08 -0.01 -0.76 0.23 0.00 0.00 176.35 174.65 1qf7 s LEU 633 N 4.06 3.42 0.00 1.79 1.02 0.27 -0.99 118.68 128.25 1qf7 s LEU 633 Ca 0.46 -0.21 -0.04 0.00 0.02 0.00 0.00 54.13 54.36 1qf7 s LEU 633 Cb -0.09 -2.15 0.02 0.00 0.02 0.00 0.00 46.19 43.98 1qf7 s LEU 633 CO 0.25 0.17 0.48 0.00 0.02 0.00 0.00 176.35 177.26 1qf7 n TYR 634 N 0.55 -1.50 1.64 0.29 9.36 -0.92 -0.70 117.16 125.87 1qf7 n TYR 634 Ca -0.11 -1.91 0.15 0.00 3.32 0.00 0.00 57.90 59.35 1qf7 n TYR 634 Cb 0.52 0.54 0.80 0.00 -0.63 0.00 0.00 39.34 40.57 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 -1.64 0.13 -3.95 2.98 3.41 -1.26 -1.78 113.62 111.52 1qf7 n SER 635 Ca -0.01 -0.58 -0.08 0.00 -0.26 0.00 0.00 58.87 57.94 1qf7 n SER 635 Cb 0.50 -0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 64.27 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 -2.33 1.61 0.58 4.33 1.70 -1.26 -4.89 118.95 118.69 1qf7 s ARG 636 Ca 0.36 -1.16 -0.03 0.00 -0.47 0.00 0.00 55.73 54.43 1qf7 s ARG 636 Cb 0.21 0.51 0.12 0.00 -0.57 0.00 0.00 34.95 35.22 1qf7 s ARG 636 CO 0.43 -0.69 0.79 -1.33 -1.08 0.00 0.00 175.30 173.42 1qf7 n MET 637 N -0.40 -0.19 0.00 3.89 2.81 -1.26 -4.71 117.12 117.26 1qf7 n MET 637 Ca -0.03 -1.85 0.00 0.00 -1.81 0.00 0.00 57.70 54.02 1qf7 n MET 637 Cb 0.61 -0.62 0.00 0.00 -0.71 0.00 0.00 33.22 32.50 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 -0.78 0.97 3.26 3.03 0.00 -1.26 -4.97 105.19 105.44 1qf7 n GLY 638 Ca 0.12 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 1qf7 n GLY 638 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qf7 s GLU 639 N 0.00 0.97 0.16 1.61 -1.05 -1.26 -1.48 118.70 117.65 1qf7 s GLU 639 Ca 0.00 -1.04 0.06 0.00 -0.15 0.00 0.00 54.97 53.85 1qf7 s GLU 639 Cb 0.00 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 34.01 1qf7 s GLU 639 CO 0.00 -0.33 -0.13 0.14 0.95 0.00 0.00 175.26 175.89 1qf7 s VAL 640 N -3.90 1.46 -0.18 1.83 -7.23 -0.74 -4.97 120.40 106.66 1qf7 s VAL 640 Ca 0.10 -2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 58.22 1qf7 s VAL 640 Cb 0.04 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 1qf7 s VAL 640 CO -0.07 -0.58 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.19 1qf7 s THR 641 N -2.82 3.46 1.12 5.32 2.01 -1.26 -0.15 115.64 123.31 1qf7 s THR 641 Ca 0.17 -0.49 -0.15 0.00 0.31 0.00 0.00 61.69 61.53 1qf7 s THR 641 Cb -0.01 -2.53 0.25 0.00 0.01 0.00 0.00 72.50 70.22 1qf7 s THR 641 CO 0.04 0.46 1.07 0.00 -0.69 0.00 0.00 174.62 175.51 1qf7 s ALA 642 N 0.92 0.45 0.55 7.40 0.00 0.15 -4.14 121.76 127.09 1qf7 s ALA 642 Ca -0.01 -0.53 0.27 0.00 0.00 0.00 0.00 51.96 51.70 1qf7 s ALA 642 Cb -0.15 -3.06 1.45 0.00 0.00 0.00 0.00 23.12 21.37 1qf7 s ALA 642 CO 0.01 -3.36 1.98 0.38 0.00 0.00 0.00 175.76 174.76 1qf7 h ASP 643 N -2.33 0.00 -0.49 0.00 3.04 -1.32 -0.86 116.42 114.46 1qf7 h ASP 643 Ca -0.53 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.26 1qf7 h ASP 643 Cb 1.33 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.62 1qf7 h ASP 643 CO 0.49 0.00 0.00 -0.90 -2.04 0.00 0.00 179.24 176.79 1qf7 n ASP 644 N -4.17 5.24 0.00 4.15 5.75 -1.26 -4.93 116.55 121.33 1qf7 n ASP 644 Ca 0.10 -2.96 0.00 0.00 -0.01 0.00 0.00 54.79 51.92 1qf7 n ASP 644 Cb 0.63 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 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 0.31 1.37 3.70 6.12 0.00 -0.33 -5.01 105.19 111.35 1qf7 n GLY 645 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.64 2.76 -0.22 2.61 2.01 -1.26 -4.70 115.64 114.21 1qf7 s THR 646 Ca 0.00 0.37 -0.23 0.00 0.31 0.00 0.00 61.69 62.13 1qf7 s THR 646 Cb 0.00 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 1qf7 s THR 646 CO 0.00 0.01 0.76 -0.69 -0.69 0.00 0.00 174.62 174.01 1qf7 s VAL 647 N 2.12 4.90 -0.27 3.82 1.01 -1.26 0.29 120.40 131.01 1qf7 s VAL 647 Ca 0.74 1.45 -0.06 0.00 0.00 0.00 0.00 61.98 64.11 1qf7 s VAL 647 Cb -0.43 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1qf7 s VAL 647 CO 0.33 0.00 0.04 -0.76 0.00 0.00 0.00 175.10 174.70 1qf7 s LEU 648 N 2.44 3.53 0.15 3.92 1.02 0.79 -4.98 118.68 125.55 1qf7 s LEU 648 Ca 0.33 -0.61 -0.30 0.00 0.02 0.00 0.00 54.13 53.57 1qf7 s LEU 648 Cb -0.16 -1.83 -0.07 0.00 0.02 0.00 0.00 46.19 44.16 1qf7 s LEU 648 CO 0.09 -0.13 1.04 -2.16 0.02 0.00 0.00 176.35 175.21 1qf7 s PRO 649 N 1.48 4.65 -0.18 1.29 0.04 -1.26 -1.79 135.00 139.23 1qf7 s PRO 649 Ca 0.03 1.60 -0.17 0.00 0.04 0.00 0.00 61.00 62.50 1qf7 s PRO 649 Cb -0.16 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 1qf7 s PRO 649 CO 0.01 0.15 0.47 0.42 0.04 0.00 0.00 177.00 178.08 1qf7 s ILE 650 N -0.17 5.16 0.06 0.56 1.01 -0.55 -4.82 121.20 122.45 1qf7 s ILE 650 Ca 0.48 0.87 -0.16 0.00 0.00 0.00 0.00 60.65 61.84 1qf7 s ILE 650 Cb -0.27 -3.80 -0.19 0.00 0.01 0.00 0.00 42.46 38.22 1qf7 s ILE 650 CO 0.33 0.25 1.23 0.00 0.00 0.00 0.00 174.94 176.75 1qf7 h ALA 651 N 7.20 0.21 -2.58 9.38 0.00 -1.41 -3.41 119.26 128.65 1qf7 h ALA 651 Ca -0.37 -0.57 0.12 0.00 0.00 0.00 0.00 54.91 54.09 1qf7 h ALA 651 Cb 1.16 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 1qf7 h ALA 651 CO 0.74 0.51 0.39 0.00 0.00 0.00 0.00 179.25 180.89 1qf7 s ALA 652 N -3.60 -1.56 0.78 0.00 0.00 -1.21 -5.04 121.76 111.13 1qf7 s ALA 652 Ca -0.12 0.18 -0.09 0.00 0.00 0.00 0.00 51.96 51.93 1qf7 s ALA 652 Cb 0.06 0.69 0.09 0.00 0.00 0.00 0.00 23.12 23.96 1qf7 s ALA 652 CO 0.86 -0.96 1.11 0.95 0.00 0.00 0.00 175.76 177.73 1qf7 s THR 653 N -3.48 2.14 0.17 0.00 -4.23 -1.26 -2.17 115.64 106.80 1qf7 s THR 653 Ca 0.10 -0.16 -0.14 0.00 -1.18 0.00 0.00 61.69 60.30 1qf7 s THR 653 Cb -0.03 -2.98 0.05 0.00 1.34 0.00 0.00 72.50 70.89 1qf7 s THR 653 CO 0.00 0.00 1.80 -0.26 -0.54 0.00 0.00 174.62 175.62 1qf7 h PHE 654 N -0.89 0.49 -0.08 3.99 0.04 -1.68 -2.17 116.94 116.64 1qf7 h PHE 654 Ca -0.45 0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.19 1qf7 h PHE 654 Cb 1.31 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.29 1qf7 h PHE 654 CO 0.10 0.28 -0.61 0.00 -0.60 0.00 0.00 178.31 177.48 1qf7 h ALA 655 N 1.22 0.82 -0.04 2.45 0.00 -1.90 -3.31 119.26 118.49 1qf7 h ALA 655 Ca 0.19 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 1qf7 h ALA 655 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1qf7 h ALA 655 CO -0.10 0.73 -0.60 0.78 0.00 0.00 0.00 179.25 180.06 1qf7 h GLY 656 N 1.44 0.16 -6.54 0.00 0.00 -1.83 -3.36 103.07 92.94 1qf7 h GLY 656 Ca -0.01 -0.20 -0.60 0.00 0.00 0.00 0.00 47.33 46.52 1qf7 h GLY 656 CO 0.10 0.18 -0.77 0.00 0.00 0.00 0.00 176.54 176.05 1qf7 n ALA 657 N -2.45 3.26 -0.69 3.60 0.00 -0.85 -4.89 120.51 118.48 1qf7 n ALA 657 Ca -0.02 -4.02 -0.32 0.00 0.00 0.00 0.00 53.44 49.08 1qf7 n ALA 657 Cb 0.61 -0.89 0.16 0.00 0.00 0.00 0.00 19.45 19.33 1qf7 n ALA 657 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1qf7 n PRO 658 N 1.88 -0.92 0.30 0.00 -0.02 -1.25 -4.85 135.00 130.14 1qf7 n PRO 658 Ca 0.25 -0.23 0.19 0.00 -2.02 0.00 0.00 63.50 61.69 1qf7 n PRO 658 Cb 0.43 -2.01 0.97 0.00 -0.02 0.00 0.00 33.50 32.86 1qf7 n PRO 658 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1qf7 h SER 659 N -1.92 0.00 -0.53 2.55 4.64 -1.86 -1.24 113.55 115.19 1qf7 h SER 659 Ca -0.48 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.92 1qf7 h SER 659 Cb 1.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.36 1qf7 h SER 659 CO 0.39 0.00 0.36 -0.07 -0.87 0.00 0.00 176.83 176.64 1qf7 h LEU 660 N 0.00 0.36 -0.43 5.97 3.38 -1.95 -2.15 115.31 120.49 1qf7 h LEU 660 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1qf7 h LEU 660 Cb 0.38 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1qf7 h LEU 660 CO -0.00 0.23 -0.01 0.35 0.09 0.00 0.00 178.44 179.10 1qf7 n THR 661 N -4.47 0.00 -4.46 0.22 -2.24 -0.47 -4.91 114.28 97.95 1qf7 n THR 661 Ca 0.08 -0.11 -0.22 0.00 -2.27 0.00 0.00 64.05 61.52 1qf7 n THR 661 Cb 0.31 -0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.39 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 -2.03 1.60 -0.57 2.28 -7.23 -0.81 -4.94 120.40 108.70 1qf7 s VAL 662 Ca 0.42 -2.08 0.22 0.00 -1.81 0.00 0.00 61.98 58.73 1qf7 s VAL 662 Cb 0.21 -2.60 -0.20 0.00 0.56 0.00 0.00 36.38 34.36 1qf7 s VAL 662 CO 0.36 -0.19 0.86 0.47 -0.31 0.00 0.00 175.10 176.29 1qf7 n ASP 663 N -0.66 0.57 -3.61 4.85 8.00 -0.07 -5.00 116.55 120.63 1qf7 n ASP 663 Ca -0.05 -0.36 -0.05 0.00 0.71 0.00 0.00 54.79 55.05 1qf7 n ASP 663 Cb 0.65 1.13 -0.02 0.00 -0.02 0.00 0.00 41.12 42.86 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 -3.23 -1.89 -0.05 2.24 0.00 -1.22 -4.22 121.76 113.39 1qf7 s ALA 664 Ca 0.02 0.81 0.02 0.00 0.00 0.00 0.00 51.96 52.81 1qf7 s ALA 664 Cb 0.15 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.66 1qf7 s ALA 664 CO 0.85 -0.83 -0.08 0.08 0.00 0.00 0.00 175.76 175.77 1qf7 s VAL 665 N -2.92 0.79 -0.06 0.00 1.01 -0.97 -1.05 120.40 117.19 1qf7 s VAL 665 Ca 0.09 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1qf7 s VAL 665 Cb -0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.62 1qf7 s VAL 665 CO -0.04 0.28 -0.21 -0.63 0.00 0.00 0.00 175.10 174.50 1qf7 s ILE 666 N 0.79 1.73 -0.29 2.22 1.01 -0.02 -0.78 121.20 125.86 1qf7 s ILE 666 Ca -0.13 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.69 1qf7 s ILE 666 Cb -0.15 -1.49 0.07 0.00 0.01 0.00 0.00 42.46 40.90 1qf7 s ILE 666 CO 0.02 0.49 -0.05 -0.69 0.00 0.00 0.00 174.94 174.71 1qf7 s VAL 667 N 0.14 2.16 0.71 2.92 1.01 -0.07 -2.10 120.40 125.18 1qf7 s VAL 667 Ca -0.09 -1.86 -0.11 0.00 0.00 0.00 0.00 61.98 59.92 1qf7 s VAL 667 Cb -0.14 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.86 1qf7 s VAL 667 CO 0.05 -0.24 1.08 -2.16 0.00 0.00 0.00 175.10 173.83 1qf7 s PRO 668 N 1.05 2.79 0.93 2.72 0.04 -1.26 -0.73 135.00 140.55 1qf7 s PRO 668 Ca -0.02 0.66 -0.12 0.00 0.04 0.00 0.00 61.00 61.56 1qf7 s PRO 668 Cb -0.20 -2.00 0.15 0.00 0.04 0.00 0.00 34.50 32.50 1qf7 s PRO 668 CO -0.06 -1.13 1.10 0.00 0.04 0.00 0.00 177.00 176.95 1qf7 n GLY 670 N -1.40 -0.21 3.45 0.00 0.00 -1.26 -1.59 105.19 104.18 1qf7 n GLY 670 Ca 0.06 -0.69 -0.44 0.00 0.00 0.00 0.00 46.02 44.96 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 6.82 0.49 1.61 3.04 -1.09 -4.81 114.94 116.99 1qf7 s ASN 671 Ca 0.00 -2.46 0.24 0.00 0.04 0.00 0.00 52.86 50.69 1qf7 s ASN 671 Cb 0.00 -2.40 1.25 0.00 -1.54 0.00 0.00 41.25 38.57 1qf7 s ASN 671 CO 0.00 -0.92 2.00 0.40 -3.04 0.00 0.00 177.10 175.54 1qf7 h ILE 672 N 5.32 0.68 0.00 -5.21 1.08 -1.93 -2.17 117.51 115.27 1qf7 h ILE 672 Ca 0.22 -0.73 -0.01 0.00 -0.39 0.00 0.00 64.86 63.96 1qf7 h ILE 672 Cb 0.96 1.45 -0.00 0.00 -3.07 0.00 0.00 36.82 36.17 1qf7 h ILE 672 CO 1.16 0.17 -0.02 0.00 -0.69 0.00 0.00 178.15 178.76 1qf7 h ALA 673 N 1.83 1.08 -0.99 1.87 0.00 -1.97 0.25 119.26 121.33 1qf7 h ALA 673 Ca -0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1qf7 h ALA 673 Cb 0.44 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1qf7 h ALA 673 CO 0.02 0.03 0.65 0.22 0.00 0.00 0.00 179.25 180.18 1qf7 h ASP 674 N 0.00 1.13 -0.01 0.00 3.58 -1.80 -3.25 116.42 116.07 1qf7 h ASP 674 Ca -0.00 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1qf7 h ASP 674 Cb 0.21 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.98 1qf7 h ASP 674 CO 0.00 0.82 -0.02 2.30 -2.88 0.00 0.00 179.24 179.46 1qf7 n ILE 675 N -4.40 0.00 -0.13 2.25 -5.35 -0.32 -4.67 119.36 106.75 1qf7 n ILE 675 Ca 0.12 -0.49 0.16 0.00 -0.27 0.00 0.00 62.75 62.26 1qf7 n ILE 675 Cb 0.01 1.12 0.54 0.00 -1.74 0.00 0.00 39.64 39.57 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 1.22 2.17 -0.25 -1.28 0.00 -0.61 0.88 119.26 121.40 1qf7 h ALA 676 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qf7 h ALA 676 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1qf7 h ALA 676 CO 0.00 -0.35 0.00 -0.25 0.00 0.00 0.00 179.25 178.65 1qf7 n ASP 677 N -4.46 3.12 -4.67 0.00 8.00 -1.26 -4.92 116.55 112.36 1qf7 n ASP 677 Ca 0.13 -2.46 -0.43 0.00 0.71 0.00 0.00 54.79 52.74 1qf7 n ASP 677 Cb 0.52 -0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 41.26 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 -1.50 7.14 0.13 -2.24 3.84 0.30 -4.95 114.94 117.66 1qf7 s ASN 678 Ca 0.28 1.46 -0.20 0.00 0.21 0.00 0.00 52.86 54.62 1qf7 s ASN 678 Cb 0.20 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 38.32 1qf7 s ASN 678 CO 0.10 -0.60 1.73 1.23 -2.79 0.00 0.00 177.10 176.77 1qf7 h GLY 679 N 8.94 0.20 1.01 1.21 0.00 -1.92 -2.23 103.07 110.27 1qf7 h GLY 679 Ca -0.24 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.11 1qf7 h GLY 679 CO 0.93 -0.02 0.58 -0.55 0.00 0.00 0.00 176.54 177.48 1qf7 h ASP 680 N 0.08 1.02 -0.39 0.19 3.32 -1.96 0.57 116.42 119.25 1qf7 h ASP 680 Ca 0.09 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1qf7 h ASP 680 Cb 0.10 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1qf7 h ASP 680 CO -0.14 0.74 0.11 0.00 -1.72 0.00 0.00 179.24 178.23 1qf7 h ALA 681 N 1.32 0.51 -0.11 3.45 0.00 -1.76 -0.04 119.26 122.62 1qf7 h ALA 681 Ca 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1qf7 h ALA 681 Cb -0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1qf7 h ALA 681 CO -0.07 0.17 0.03 -0.91 0.00 0.00 0.00 179.25 178.47 1qf7 h ASN 682 N 0.48 0.17 -1.01 0.00 2.35 -1.17 -3.09 115.58 113.32 1qf7 h ASN 682 Ca 0.12 -0.23 0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1qf7 h ASN 682 Cb 0.28 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.54 1qf7 h ASN 682 CO -0.00 0.36 0.66 0.22 -1.65 0.00 0.00 177.43 177.02 1qf7 h TYR 683 N -0.02 1.23 -0.66 1.19 3.20 -0.80 -1.57 116.97 119.54 1qf7 h TYR 683 Ca 0.04 0.03 0.14 0.00 3.14 0.00 0.00 58.73 62.07 1qf7 h TYR 683 Cb 0.25 -0.41 -0.12 0.00 1.54 0.00 0.00 36.73 38.00 1qf7 h TYR 683 CO 0.01 0.68 -0.09 -0.92 -1.64 0.00 0.00 178.16 176.20 1qf7 h TYR 684 N 1.24 -0.21 -0.32 -3.82 5.03 -0.91 0.15 116.97 118.12 1qf7 h TYR 684 Ca 0.41 0.05 -0.14 0.00 2.58 0.00 0.00 58.73 61.64 1qf7 h TYR 684 Cb 0.07 0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.53 1qf7 h TYR 684 CO -0.00 -0.24 -0.37 -0.07 -1.32 0.00 0.00 178.16 176.16 1qf7 h LEU 685 N 0.05 0.79 -0.59 2.82 3.38 -1.35 -1.69 115.31 118.72 1qf7 h LEU 685 Ca 0.33 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1qf7 h LEU 685 Cb 0.54 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1qf7 h LEU 685 CO -0.63 1.08 0.18 0.24 0.09 0.00 0.00 178.44 179.40 1qf7 h MET 686 N 0.62 0.91 -0.12 1.13 2.86 -0.19 0.20 114.93 120.34 1qf7 h MET 686 Ca 0.06 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1qf7 h MET 686 Cb 0.91 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.44 1qf7 h MET 686 CO 0.08 0.82 -0.01 1.49 1.06 0.00 0.00 176.91 180.36 1qf7 h GLU 687 N 0.83 0.21 -0.42 1.72 4.81 -0.72 0.73 114.58 121.74 1qf7 h GLU 687 Ca 0.19 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1qf7 h GLU 687 Cb 0.29 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1qf7 h GLU 687 CO -0.01 0.47 0.09 0.00 -0.73 0.00 0.00 179.01 178.83 1qf7 h ALA 688 N 0.74 1.38 -0.23 2.92 0.00 -1.23 -2.17 119.26 120.66 1qf7 h ALA 688 Ca 0.03 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1qf7 h ALA 688 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1qf7 h ALA 688 CO 0.01 0.44 -0.07 -0.92 0.00 0.00 0.00 179.25 178.71 1qf7 h TYR 689 N 0.61 0.52 -0.90 0.00 3.20 -0.35 -2.05 116.97 118.00 1qf7 h TYR 689 Ca 0.14 -0.12 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1qf7 h TYR 689 Cb 0.25 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 1qf7 h TYR 689 CO 0.01 0.71 0.59 -0.22 -1.64 0.00 0.00 178.16 177.61 1qf7 h LYS 690 N 0.19 1.14 -0.74 1.82 3.64 -0.61 -2.16 116.57 119.85 1qf7 h LYS 690 Ca 0.06 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1qf7 h LYS 690 Cb 0.55 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1qf7 h LYS 690 CO 0.03 0.75 0.00 0.72 -2.27 0.00 0.00 179.45 178.68 1qf7 n HIS 691 N -4.42 0.45 -1.77 1.91 8.25 -0.84 -4.91 115.22 113.89 1qf7 n HIS 691 Ca 0.11 -0.16 -0.19 0.00 -0.26 0.00 0.00 57.72 57.22 1qf7 n HIS 691 Cb 0.06 -0.16 -0.06 0.00 1.12 0.00 0.00 29.99 30.95 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 0.12 -1.53 -4.80 2.41 4.77 -0.81 -4.89 117.00 112.27 1qf7 n LEU 692 Ca 0.07 0.34 -0.35 0.00 -0.03 0.00 0.00 56.01 56.04 1qf7 n LEU 692 Cb 0.41 -2.69 -0.06 0.00 -2.33 0.00 0.00 43.42 38.74 1qf7 n LEU 692 CO 0.07 -0.79 0.66 -0.54 -1.33 0.00 0.00 177.39 175.47 1qf7 s LYS 693 N -3.99 4.31 0.26 3.23 1.02 -0.78 -0.18 119.74 123.61 1qf7 s LYS 693 Ca 0.00 1.25 -0.30 0.00 0.02 0.00 0.00 55.97 56.95 1qf7 s LYS 693 Cb 0.00 -2.42 -0.10 0.00 -0.52 0.00 0.00 37.83 34.79 1qf7 s LYS 693 CO 0.00 0.03 1.37 -2.14 -0.92 0.00 0.00 175.35 173.69 1qf7 s PRO 694 N -2.73 4.32 -0.02 -1.68 0.02 -1.26 -4.65 135.00 128.99 1qf7 s PRO 694 Ca 0.58 2.22 0.06 0.00 0.02 0.00 0.00 61.00 63.89 1qf7 s PRO 694 Cb -0.14 -3.12 -0.01 0.00 0.02 0.00 0.00 34.50 31.25 1qf7 s PRO 694 CO 0.19 -0.32 -0.21 0.42 -0.33 0.00 0.00 177.00 176.75 1qf7 s ILE 695 N -0.30 1.65 -0.08 2.83 1.01 -1.12 -2.30 121.20 122.90 1qf7 s ILE 695 Ca 0.56 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1qf7 s ILE 695 Cb -0.40 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 40.70 1qf7 s ILE 695 CO 0.45 0.47 -0.11 0.00 0.00 0.00 0.00 174.94 175.75 1qf7 s ALA 696 N -0.39 1.27 -0.17 9.38 0.00 0.04 -0.18 121.76 131.71 1qf7 s ALA 696 Ca 0.06 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.58 1qf7 s ALA 696 Cb -0.09 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.40 1qf7 s ALA 696 CO -0.00 -0.03 -0.17 -0.51 0.00 0.00 0.00 175.76 175.05 1qf7 s LEU 697 N 0.94 2.02 -0.12 0.00 1.43 0.16 -0.89 118.68 122.22 1qf7 s LEU 697 Ca -0.09 -0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 52.33 1qf7 s LEU 697 Cb -0.15 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1qf7 s LEU 697 CO 0.00 -0.04 0.05 0.00 0.23 0.00 0.00 176.35 176.60 1qf7 s ALA 698 N 1.36 3.45 0.00 4.21 0.00 0.10 -3.02 121.76 127.86 1qf7 s ALA 698 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1qf7 s ALA 698 Cb -0.13 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1qf7 s ALA 698 CO -0.12 0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.54 1qf7 n GLY 699 N 2.46 3.34 0.11 0.00 0.00 0.87 -1.26 105.19 110.70 1qf7 n GLY 699 Ca -0.18 0.06 0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 4.60 0.45 0.32 1.61 9.92 -1.26 -1.86 116.55 130.34 1qf7 n ASP 700 Ca 0.00 0.65 0.20 0.00 -0.53 0.00 0.00 54.79 55.11 1qf7 n ASP 700 Cb 0.00 -0.73 1.08 0.00 -0.64 0.00 0.00 41.12 40.82 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 2.19 1.09 0.00 2.24 0.00 -1.45 -0.55 119.26 122.77 1qf7 h ALA 701 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qf7 h ALA 701 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1qf7 h ALA 701 CO 0.00 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.80 1qf7 n ARG 702 N -3.23 0.03 0.13 0.00 1.74 -0.78 -1.46 116.66 113.10 1qf7 n ARG 702 Ca -0.02 0.47 0.09 0.00 -0.77 0.00 0.00 57.85 57.62 1qf7 n ARG 702 Cb 0.12 -1.59 0.59 0.00 -1.02 0.00 0.00 32.46 30.55 1qf7 n ARG 702 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1qf7 h LYS 703 N 0.00 0.15 0.00 5.56 1.57 -1.34 -1.22 116.57 121.29 1qf7 h LYS 703 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1qf7 h LYS 703 Cb 0.07 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1qf7 h LYS 703 CO 0.00 0.10 0.00 1.19 -0.57 0.00 0.00 179.45 180.17 1qf7 n PHE 704 N -4.50 0.51 0.18 -1.35 3.72 -0.53 -2.78 117.46 112.71 1qf7 n PHE 704 Ca 0.01 0.21 0.13 0.00 -0.05 0.00 0.00 57.45 57.76 1qf7 n PHE 704 Cb 0.19 -0.85 0.69 0.00 -0.94 0.00 0.00 39.48 38.58 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 0.00 -0.04 -1.08 1.57 -1.42 -0.97 116.57 114.63 1qf7 h LYS 705 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1qf7 h LYS 705 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1qf7 h LYS 705 CO 0.00 0.00 -0.61 0.00 -0.57 0.00 0.00 179.45 178.27 1qf7 h ALA 706 N 1.89 0.91 -0.34 3.86 0.00 -1.74 -0.51 119.26 123.34 1qf7 h ALA 706 Ca 0.09 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.47 1qf7 h ALA 706 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1qf7 h ALA 706 CO -0.00 0.74 0.19 1.15 0.00 0.00 0.00 179.25 181.32 1qf7 h THR 707 N 0.11 1.02 -0.65 0.00 2.02 -1.38 -2.73 112.91 111.30 1qf7 h THR 707 Ca -0.01 -0.13 -0.23 0.00 0.77 0.00 0.00 66.41 66.81 1qf7 h THR 707 Cb 1.09 0.60 -0.14 0.00 -1.74 0.00 0.00 68.15 67.96 1qf7 h THR 707 CO 0.09 0.07 0.30 2.30 0.37 0.00 0.00 175.52 178.64 1qf7 n ILE 708 N -4.92 2.53 -4.12 3.11 -5.35 -1.14 -4.94 119.36 104.53 1qf7 n ILE 708 Ca -0.00 -1.35 -0.39 0.00 -0.27 0.00 0.00 62.75 60.74 1qf7 n ILE 708 Cb 0.06 -0.47 -0.02 0.00 -1.74 0.00 0.00 39.64 37.47 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 -0.24 -0.50 -3.96 6.28 5.02 -0.83 -4.91 118.16 119.02 1qf7 n LYS 709 Ca 0.37 0.04 -0.36 0.00 -2.02 0.00 0.00 58.31 56.34 1qf7 n LYS 709 Cb 1.25 -2.64 -0.07 0.00 -0.02 0.00 0.00 35.03 33.56 1qf7 n LYS 709 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1qf7 s ILE 710 N -3.88 5.20 0.63 -0.18 1.01 -0.26 -5.03 121.20 118.70 1qf7 s ILE 710 Ca 0.29 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.87 1qf7 s ILE 710 Cb -0.16 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1qf7 s ILE 710 CO 0.92 0.58 0.86 0.00 0.00 0.00 0.00 174.94 177.30 1qf7 n ALA 711 N 2.39 -0.23 -0.20 9.38 0.00 -1.26 -4.79 120.51 125.79 1qf7 n ALA 711 Ca -0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.18 1qf7 n ALA 711 Cb 0.54 -2.05 0.09 0.00 0.00 0.00 0.00 19.45 18.03 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 0.21 0.34 0.57 0.00 3.32 -1.98 0.18 116.42 119.07 1qf7 h ASP 712 Ca -0.48 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1qf7 h ASP 712 Cb 1.36 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 1qf7 h ASP 712 CO 0.49 0.22 0.00 1.67 -1.72 0.00 0.00 179.24 179.90 1qf7 n GLN 713 N -4.91 0.18 0.00 3.56 7.27 -1.26 -5.02 117.38 117.20 1qf7 n GLN 713 Ca 0.07 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.61 1qf7 n GLN 713 Cb 0.21 -1.88 0.00 0.00 2.41 0.00 0.00 30.24 30.97 1qf7 n GLN 713 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1qf7 n GLY 714 N -0.27 0.62 3.61 1.69 0.00 0.61 -5.09 105.19 106.36 1qf7 n GLY 714 Ca 0.01 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.15 0.76 0.20 1.61 -1.05 -1.26 -4.49 118.70 113.31 1qf7 s GLU 715 Ca 0.00 0.65 -0.33 0.00 -0.15 0.00 0.00 54.97 55.14 1qf7 s GLU 715 Cb 0.00 0.37 -0.14 0.00 -0.44 0.00 0.00 34.13 33.91 1qf7 s GLU 715 CO 0.00 -0.14 1.43 0.39 0.95 0.00 0.00 175.26 177.88 1qf7 n GLU 716 N 1.99 1.90 0.00 -4.83 1.02 -1.26 -1.63 120.64 117.83 1qf7 n GLU 716 Ca -0.14 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 1qf7 n GLU 716 Cb 0.56 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 1qf7 n GLU 716 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qf7 n GLY 717 N 2.54 2.53 3.20 0.62 0.00 -1.26 -4.89 105.19 107.93 1qf7 n GLY 717 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.63 3.03 -0.07 -0.61 -1.09 -0.64 -2.78 121.20 116.40 1qf7 s ILE 718 Ca 0.00 -1.14 -0.21 0.00 -2.23 0.00 0.00 60.65 57.07 1qf7 s ILE 718 Cb 0.00 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.22 1qf7 s ILE 718 CO 0.00 0.06 0.61 -0.69 -1.23 0.00 0.00 174.94 173.70 1qf7 s VAL 719 N 1.31 5.06 -0.09 2.92 1.01 0.75 -4.61 120.40 126.76 1qf7 s VAL 719 Ca -0.02 1.26 -0.12 0.00 0.00 0.00 0.00 61.98 63.10 1qf7 s VAL 719 Cb -0.18 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.28 1qf7 s VAL 719 CO -0.02 0.31 0.31 -1.83 0.00 0.00 0.00 175.10 173.86 1qf7 s GLU 720 N 0.55 0.46 0.21 2.72 -1.05 -1.26 -0.67 118.70 119.67 1qf7 s GLU 720 Ca 0.33 0.24 -0.22 0.00 -0.15 0.00 0.00 54.97 55.17 1qf7 s GLU 720 Cb -0.17 0.21 0.06 0.00 -0.44 0.00 0.00 34.13 33.80 1qf7 s GLU 720 CO 0.16 -0.08 0.95 0.00 0.95 0.00 0.00 175.26 177.23 1qf7 s ALA 721 N -0.29 -1.44 0.33 -0.84 0.00 -1.17 -5.01 121.76 113.34 1qf7 s ALA 721 Ca -0.04 -0.24 0.09 0.00 0.00 0.00 0.00 51.96 51.77 1qf7 s ALA 721 Cb -0.03 0.71 0.59 0.00 0.00 0.00 0.00 23.12 24.39 1qf7 s ALA 721 CO 0.02 -1.04 1.78 -0.44 0.00 0.00 0.00 175.76 176.07 1qf7 h ASP 722 N 2.00 0.19 -5.22 0.00 3.32 -1.90 0.25 116.42 115.05 1qf7 h ASP 722 Ca -0.26 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.64 1qf7 h ASP 722 Cb 1.23 -0.05 -0.12 0.00 0.22 0.00 0.00 39.33 40.61 1qf7 h ASP 722 CO 0.32 0.52 -0.24 -0.94 -1.72 0.00 0.00 179.24 177.18 1qf7 s SER 723 N -6.89 -0.03 -0.15 6.45 1.04 -1.26 -2.86 113.70 110.00 1qf7 s SER 723 Ca -0.04 -0.77 -0.03 0.00 0.48 0.00 0.00 55.95 55.58 1qf7 s SER 723 Cb 0.14 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.68 1qf7 s SER 723 CO 0.75 -0.93 2.76 0.00 0.98 0.00 0.00 173.24 176.80 1qf7 n ALA 724 N -0.24 5.58 -1.42 5.32 0.00 -1.26 -4.81 120.51 123.68 1qf7 n ALA 724 Ca -0.08 -1.60 0.00 0.00 0.00 0.00 0.00 53.44 51.76 1qf7 n ALA 724 Cb 0.63 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1qf7 n ALA 724 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1qf7 n ASP 725 N 1.53 0.00 0.00 0.00 5.68 -1.26 -4.50 116.55 118.00 1qf7 n ASP 725 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.60 1qf7 n ASP 725 Cb 0.68 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 1qf7 n ASP 725 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qf7 n GLY 726 N 2.73 -0.04 0.03 6.12 0.00 -1.26 -4.53 105.19 108.25 1qf7 n GLY 726 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.70 0.30 -0.03 1.61 3.41 -1.26 -3.84 113.62 112.11 1qf7 n SER 727 Ca 0.00 0.42 -0.10 0.00 -0.26 0.00 0.00 58.87 58.93 1qf7 n SER 727 Cb 0.00 -0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 63.45 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 0.00 -0.98 -0.15 7.33 3.04 -1.88 -1.46 116.94 122.84 1qf7 h PHE 728 Ca 0.00 0.05 -0.16 0.00 3.98 0.00 0.00 57.97 61.84 1qf7 h PHE 728 Cb 0.57 0.46 -0.01 0.00 2.56 0.00 0.00 35.95 39.54 1qf7 h PHE 728 CO 0.00 -0.42 -0.57 0.52 -2.02 0.00 0.00 178.31 175.82 1qf7 h MET 729 N -0.39 0.47 -0.73 1.11 2.86 -1.80 -2.22 114.93 114.23 1qf7 h MET 729 Ca 0.11 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 1qf7 h MET 729 Cb 0.57 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 1qf7 h MET 729 CO -0.41 0.91 0.26 -0.44 1.06 0.00 0.00 176.91 178.29 1qf7 h ASP 730 N 0.36 1.03 -0.36 1.22 3.32 -1.69 -0.05 116.42 120.26 1qf7 h ASP 730 Ca 0.00 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.81 1qf7 h ASP 730 Cb 1.11 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1qf7 h ASP 730 CO 0.10 0.94 -0.03 -0.33 -1.72 0.00 0.00 179.24 178.20 1qf7 h GLU 731 N 1.08 0.65 -0.84 3.56 5.08 -1.09 -1.25 114.58 121.76 1qf7 h GLU 731 Ca 0.24 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1qf7 h GLU 731 Cb 0.26 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1qf7 h GLU 731 CO -0.01 0.78 0.39 1.25 -1.00 0.00 0.00 179.01 180.41 1qf7 h LEU 732 N 0.45 1.11 -0.94 1.33 7.12 -1.07 -2.19 115.31 121.12 1qf7 h LEU 732 Ca 0.10 -0.14 -0.11 0.00 0.13 0.00 0.00 57.88 57.85 1qf7 h LEU 732 Cb 0.50 -0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 40.33 1qf7 h LEU 732 CO 0.02 0.95 -0.51 -0.07 -0.13 0.00 0.00 178.44 178.70 1qf7 h LEU 733 N 1.20 0.06 -0.39 2.25 3.38 -0.81 -1.43 115.31 119.57 1qf7 h LEU 733 Ca 0.29 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 1qf7 h LEU 733 Cb 0.14 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1qf7 h LEU 733 CO -0.03 0.56 -0.16 0.74 0.09 0.00 0.00 178.44 179.63 1qf7 h THR 734 N 0.04 1.28 -0.83 0.22 2.02 -0.97 -1.23 112.91 113.45 1qf7 h THR 734 Ca -0.00 -1.28 -0.03 0.00 0.77 0.00 0.00 66.41 65.87 1qf7 h THR 734 Cb 0.91 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.56 1qf7 h THR 734 CO 0.07 0.43 0.39 -0.07 0.37 0.00 0.00 175.52 176.70 1qf7 h LEU 735 N 0.61 1.09 -1.24 2.58 3.38 -0.91 -2.52 115.31 118.30 1qf7 h LEU 735 Ca 0.09 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1qf7 h LEU 735 Cb 0.70 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1qf7 h LEU 735 CO 0.05 0.93 -0.15 0.24 0.09 0.00 0.00 178.44 179.60 1qf7 h MET 736 N 1.18 0.33 0.00 1.13 2.86 -0.93 -2.08 114.93 117.42 1qf7 h MET 736 Ca 0.28 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.78 1qf7 h MET 736 Cb 0.13 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1qf7 h MET 736 CO -0.03 0.49 -0.27 0.00 1.06 0.00 0.00 176.91 178.15 1qf7 h ALA 737 N 1.54 1.49 -0.39 6.32 0.00 -0.81 -0.48 119.26 126.92 1qf7 h ALA 737 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1qf7 h ALA 737 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1qf7 h ALA 737 CO 0.03 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1qf7 n ALA 738 N -2.46 2.44 0.00 0.00 0.00 -0.80 -4.03 120.51 115.67 1qf7 n ALA 738 Ca -0.02 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1qf7 n ALA 738 Cb 0.33 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.76 0.00 -4.11 0.00 -0.00 -0.19 -4.78 115.22 106.90 1qf7 n HIS 739 Ca 0.15 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.79 1qf7 n HIS 739 Cb 0.38 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.27 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 0.68 -1.21 1.57 1.81 -1.26 -4.72 118.95 115.82 1qf7 s ARG 740 Ca 0.00 -1.22 -0.08 0.00 -1.72 0.00 0.00 55.73 52.71 1qf7 s ARG 740 Cb 0.00 0.03 0.22 0.00 -0.45 0.00 0.00 34.95 34.75 1qf7 s ARG 740 CO 0.00 -0.07 1.71 0.28 -0.68 0.00 0.00 175.30 176.55 1qf7 n VAL 741 N 0.17 4.67 -0.15 3.52 0.31 0.75 -4.87 118.33 122.74 1qf7 n VAL 741 Ca -0.14 -4.94 0.27 0.00 -0.01 0.00 0.00 64.34 59.52 1qf7 n VAL 741 Cb 0.60 -2.28 0.71 0.00 -0.91 0.00 0.00 33.84 31.97 1qf7 n VAL 741 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 1qf7 h TRP 742 N 5.72 0.03 0.00 3.52 4.06 -1.94 0.06 115.95 127.41 1qf7 h TRP 742 Ca 0.32 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.27 1qf7 h TRP 742 Cb 0.64 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.79 1qf7 h TRP 742 CO 1.16 0.01 0.00 -1.13 -3.56 0.00 0.00 178.44 174.92 1qf7 n SER 743 N -4.30 0.55 0.05 -3.49 3.41 -1.26 -2.06 113.62 106.52 1qf7 n SER 743 Ca 0.17 0.70 0.13 0.00 -0.26 0.00 0.00 58.87 59.61 1qf7 n SER 743 Cb 0.88 -0.79 0.35 0.00 -0.26 0.00 0.00 64.21 64.39 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 -2.18 0.16 -0.26 4.33 0.63 0.01 -4.39 116.66 114.96 1qf7 n ARG 744 Ca 0.00 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1qf7 n ARG 744 Cb 0.12 -1.64 0.07 0.00 0.45 0.00 0.00 32.46 31.46 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 0.00 0.23 0.00 5.15 2.04 -1.59 0.30 117.51 123.64 1qf7 h ILE 745 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1qf7 h ILE 745 Cb 0.64 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1qf7 h ILE 745 CO 0.00 0.00 -0.04 -0.65 0.00 0.00 0.00 178.15 177.46 1qf7 h PRO 746 N -0.03 0.00 0.00 2.37 0.11 -1.85 -2.54 132.00 130.07 1qf7 h PRO 746 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1qf7 h PRO 746 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1qf7 h PRO 746 CO -0.77 0.04 -0.42 1.63 -0.21 0.00 0.00 178.00 178.28 1qf7 n LYS 747 N -4.11 0.15 0.06 1.05 5.02 0.10 -3.98 118.16 116.45 1qf7 n LYS 747 Ca -0.03 0.06 0.13 0.00 -2.02 0.00 0.00 58.31 56.45 1qf7 n LYS 747 Cb 0.13 -1.61 0.31 0.00 -0.02 0.00 0.00 35.03 33.84 1qf7 n LYS 747 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1qf7 n ILE 748 N -1.84 0.34 0.30 -0.18 -5.35 -0.96 -4.04 119.36 107.65 1qf7 n ILE 748 Ca 0.05 -0.21 0.19 0.00 -0.27 0.00 0.00 62.75 62.51 1qf7 n ILE 748 Cb 0.39 -0.28 0.87 0.00 -1.74 0.00 0.00 39.64 38.88 1qf7 n ILE 748 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1qf7 h ASP 749 N 0.00 0.00 0.61 7.28 1.82 -1.69 -2.35 116.42 122.09 1qf7 h ASP 749 Ca 0.00 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.36 1qf7 h ASP 749 Cb 0.68 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.66 1qf7 h ASP 749 CO 0.00 0.00 -1.45 0.50 -1.61 0.00 0.00 179.24 176.68 1qf7 h LYS 750 N 0.00 0.10 -6.40 0.28 1.63 -1.85 -3.47 116.57 106.86 1qf7 h LYS 750 Ca 0.00 -0.17 -0.53 0.00 -0.85 0.00 0.00 60.65 59.10 1qf7 h LYS 750 Cb 0.29 0.06 0.02 0.00 -0.60 0.00 0.00 32.23 32.00 1qf7 h LYS 750 CO 0.00 0.89 1.13 -1.50 -3.45 0.00 0.00 179.45 176.52 1qf7 s ILE 751 N -2.64 2.99 -1.02 2.00 -1.16 -0.89 -4.94 121.20 115.54 1qf7 s ILE 751 Ca -0.05 0.23 -0.21 0.00 -0.51 0.00 0.00 60.65 60.11 1qf7 s ILE 751 Cb 0.08 -3.15 0.08 0.00 0.61 0.00 0.00 42.46 40.09 1qf7 s ILE 751 CO 0.83 -0.01 1.37 -2.16 -2.81 0.00 0.00 174.94 172.16 1qf7 s PRO 752 N 3.60 3.65 0.00 3.50 0.04 -1.26 -5.06 135.00 139.47 1qf7 s PRO 752 Ca 0.81 -1.46 0.00 0.00 0.04 0.00 0.00 61.00 60.39 1qf7 s PRO 752 Cb -0.41 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 28.90 1qf7 s PRO 752 CO 0.36 -2.06 0.00 0.00 0.04 0.00 0.00 177.00 175.35