#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 0.12 -1.16 -1.12 7.64 -1.26 -5.05 113.62 112.79 1qf7 n SER 28 Ca 0.00 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1qf7 n SER 28 Cb 0.00 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1qf7 n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qf7 n LEU 29 N -3.09 -2.32 -4.74 -3.43 -0.00 -1.26 -4.91 117.00 97.24 1qf7 n LEU 29 Ca 0.00 2.21 -0.42 0.00 -0.00 0.00 0.00 56.01 57.80 1qf7 n LEU 29 Cb 0.08 -1.86 -0.01 0.00 -0.00 0.00 0.00 43.42 41.63 1qf7 n LEU 29 CO 0.00 0.22 1.06 0.00 -0.00 0.00 0.00 177.39 178.67 1qf7 n ALA 30 N -0.77 1.97 -1.66 1.47 0.00 -1.26 -4.96 120.51 115.30 1qf7 n ALA 30 Ca 0.00 0.36 -0.39 0.00 0.00 0.00 0.00 53.44 53.41 1qf7 n ALA 30 Cb 0.00 -2.36 0.04 0.00 0.00 0.00 0.00 19.45 17.13 1qf7 n ALA 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qf7 n PRO 31 N 0.78 1.31 0.25 0.00 -0.04 -1.26 -4.89 135.00 131.15 1qf7 n PRO 31 Ca 0.04 0.48 0.10 0.00 -0.04 0.00 0.00 63.50 64.08 1qf7 n PRO 31 Cb 0.37 -2.28 0.69 0.00 -0.04 0.00 0.00 33.50 32.25 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 1.12 0.00 0.00 0.54 4.57 -1.99 -2.20 114.58 116.62 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 1.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1qf7 h GLU 32 CO 0.55 0.00 0.00 -0.40 -1.18 0.00 0.00 179.01 177.98 1qf7 n ASP 33 N -4.41 0.00 -0.59 1.04 5.68 -1.26 -4.87 116.55 112.14 1qf7 n ASP 33 Ca -0.02 -0.97 -0.08 0.00 -0.50 0.00 0.00 54.79 53.23 1qf7 n ASP 33 Cb 0.12 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.07 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 0.83 0.96 0.16 6.12 0.00 -0.83 -4.89 105.19 107.55 1qf7 n GLY 34 Ca 0.21 -0.51 0.07 0.00 0.00 0.00 0.00 46.02 45.79 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 0.35 0.49 0.20 1.61 3.41 -1.26 -2.74 113.62 115.68 1qf7 n SER 35 Ca -0.08 -1.65 0.12 0.00 -0.26 0.00 0.00 58.87 57.01 1qf7 n SER 35 Cb 0.29 -0.04 0.20 0.00 -0.26 0.00 0.00 64.21 64.40 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 0.61 0.00 -3.37 7.33 2.07 -1.90 -3.46 115.15 116.44 1qf7 h HIS 36 Ca 0.00 0.00 -0.64 0.00 -2.85 0.00 0.00 60.37 56.88 1qf7 h HIS 36 Cb 0.14 0.00 -0.23 0.00 2.57 0.00 0.00 27.41 29.88 1qf7 h HIS 36 CO 0.04 0.00 -0.68 0.50 -3.07 0.00 0.00 177.93 174.72 1qf7 s ARG 37 N -3.20 3.59 0.52 5.12 3.52 -1.11 -4.99 118.95 122.41 1qf7 s ARG 37 Ca 0.07 -0.55 -0.22 0.00 -0.13 0.00 0.00 55.73 54.91 1qf7 s ARG 37 Cb 0.06 -2.97 -0.06 0.00 -1.56 0.00 0.00 34.95 30.43 1qf7 s ARG 37 CO 0.66 0.10 1.24 -2.14 -0.81 0.00 0.00 175.30 174.35 1qf7 s PRO 38 N 0.74 3.37 0.33 5.12 0.02 -1.26 -4.99 135.00 138.33 1qf7 s PRO 38 Ca -0.01 1.95 -0.28 0.00 0.02 0.00 0.00 61.00 62.68 1qf7 s PRO 38 Cb -0.14 -2.25 -0.09 0.00 0.02 0.00 0.00 34.50 32.03 1qf7 s PRO 38 CO 0.02 -0.92 1.14 0.00 -0.33 0.00 0.00 177.00 176.91 1qf7 s ALA 39 N -1.47 3.32 -1.37 -1.55 0.00 -1.26 -4.93 121.76 114.50 1qf7 s ALA 39 Ca 0.69 0.94 -0.08 0.00 0.00 0.00 0.00 51.96 53.52 1qf7 s ALA 39 Cb -0.33 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 1qf7 s ALA 39 CO 0.39 -0.33 2.87 0.00 0.00 0.00 0.00 175.76 178.69 1qf7 n ALA 40 N 0.70 7.25 -3.33 0.00 0.00 -1.26 -4.81 120.51 119.06 1qf7 n ALA 40 Ca 0.01 -3.51 -0.10 0.00 0.00 0.00 0.00 53.44 49.84 1qf7 n ALA 40 Cb 0.45 -3.09 -0.04 0.00 0.00 0.00 0.00 19.45 16.78 1qf7 n ALA 40 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1qf7 s GLU 41 N 1.06 1.39 0.13 0.00 0.41 -1.23 -4.82 118.70 115.64 1qf7 s GLU 41 Ca 0.65 -0.85 -0.31 0.00 -0.41 0.00 0.00 54.97 54.05 1qf7 s GLU 41 Cb 0.20 0.53 -0.10 0.00 -1.78 0.00 0.00 34.13 32.98 1qf7 s GLU 41 CO -0.07 -0.59 1.72 -2.14 -0.49 0.00 0.00 175.26 173.69 1qf7 s PRO 42 N -3.87 4.16 0.08 0.39 0.02 -1.26 -4.99 135.00 129.53 1qf7 s PRO 42 Ca 0.09 2.49 0.02 0.00 0.02 0.00 0.00 61.00 63.62 1qf7 s PRO 42 Cb -0.01 -3.42 -0.04 0.00 0.02 0.00 0.00 34.50 31.06 1qf7 s PRO 42 CO -0.03 -0.76 -0.07 0.95 -0.33 0.00 0.00 177.00 176.76 1qf7 s THR 43 N 2.13 0.67 0.62 0.99 -4.23 -1.08 -4.97 115.64 109.77 1qf7 s THR 43 Ca 0.76 -1.64 -0.14 0.00 -1.18 0.00 0.00 61.69 59.49 1qf7 s THR 43 Cb -0.45 -1.32 -0.03 0.00 1.34 0.00 0.00 72.50 72.05 1qf7 s THR 43 CO 0.34 -0.69 1.05 -2.16 -0.54 0.00 0.00 174.62 172.62 1qf7 s PRO 44 N -3.03 3.27 0.19 3.99 0.04 -1.26 -3.31 135.00 134.88 1qf7 s PRO 44 Ca 0.04 1.11 -0.33 0.00 0.04 0.00 0.00 61.00 61.87 1qf7 s PRO 44 Cb -0.00 -2.03 -0.14 0.00 0.04 0.00 0.00 34.50 32.37 1qf7 s PRO 44 CO -0.03 -0.85 1.55 -2.30 0.04 0.00 0.00 177.00 175.41 1qf7 n PRO 45 N -2.30 2.17 -0.13 0.56 -0.02 -1.26 -1.28 135.00 132.74 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 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 3.11 2.20 0.21 -1.23 0.00 -1.26 -4.90 105.19 103.32 1qf7 n GLY 46 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 0.54 -2.37 4.61 0.00 -1.54 -3.47 119.26 117.04 1qf7 h ALA 47 Ca 0.00 -0.56 -0.22 0.00 0.00 0.00 0.00 54.91 54.14 1qf7 h ALA 47 Cb 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.58 1qf7 h ALA 47 CO 0.00 0.71 -0.65 -0.65 0.00 0.00 0.00 179.25 178.65 1qf7 s GLN 48 N -3.86 0.97 0.35 0.00 -1.52 -1.26 -5.06 119.66 109.28 1qf7 s GLN 48 Ca -0.08 -1.46 -0.28 0.00 -1.95 0.00 0.00 55.36 51.58 1qf7 s GLN 48 Cb 0.10 0.07 -0.11 0.00 -0.22 0.00 0.00 33.01 32.85 1qf7 s GLN 48 CO 0.86 -0.21 1.43 -2.14 -0.25 0.00 0.00 175.29 174.99 1qf7 s PRO 49 N -4.00 4.20 0.82 2.91 0.02 -1.26 -5.00 135.00 132.69 1qf7 s PRO 49 Ca 0.23 2.44 -0.10 0.00 0.02 0.00 0.00 61.00 63.59 1qf7 s PRO 49 Cb 0.07 -3.01 0.09 0.00 0.02 0.00 0.00 34.50 31.66 1qf7 s PRO 49 CO 0.02 -0.42 1.11 0.95 -0.33 0.00 0.00 177.00 178.32 1qf7 s THR 50 N -0.99 2.94 0.16 0.99 -4.23 -1.26 -4.62 115.64 108.63 1qf7 s THR 50 Ca 0.53 0.30 -0.14 0.00 -1.18 0.00 0.00 61.69 61.20 1qf7 s THR 50 Cb -0.44 -2.66 0.02 0.00 1.34 0.00 0.00 72.50 70.76 1qf7 s THR 50 CO 0.58 -0.40 0.40 0.00 -0.54 0.00 0.00 174.62 174.66 1qf7 s ALA 51 N -2.83 -0.66 0.47 3.99 0.00 -1.26 -4.99 121.76 116.49 1qf7 s ALA 51 Ca 0.63 -0.36 -0.21 0.00 0.00 0.00 0.00 51.96 52.02 1qf7 s ALA 51 Cb -0.19 0.77 -0.11 0.00 0.00 0.00 0.00 23.12 23.60 1qf7 s ALA 51 CO 0.57 -0.69 0.59 -2.30 0.00 0.00 0.00 175.76 173.93 1qf7 n PRO 52 N -0.25 0.64 -0.09 0.00 -0.02 -1.26 -4.63 135.00 129.39 1qf7 n PRO 52 Ca -0.12 0.24 -0.03 0.00 -2.02 0.00 0.00 63.50 61.58 1qf7 n PRO 52 Cb 0.63 -1.64 0.21 0.00 -0.02 0.00 0.00 33.50 32.68 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 0.69 0.80 1.93 -1.23 0.00 -1.47 -1.09 103.07 102.70 1qf7 h GLY 53 Ca -0.43 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.42 1qf7 h GLY 53 CO 0.50 0.45 0.00 -1.14 0.00 0.00 0.00 176.54 176.36 1qf7 n SER 54 N -4.26 0.00 -0.04 0.19 3.41 -1.26 -0.40 113.62 111.27 1qf7 n SER 54 Ca 0.03 0.39 -0.21 0.00 -0.26 0.00 0.00 58.87 58.83 1qf7 n SER 54 Cb 0.25 -0.46 -0.13 0.00 -0.26 0.00 0.00 64.21 63.61 1qf7 n SER 54 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qf7 n LEU 55 N -1.46 2.70 -0.13 1.04 4.77 -0.80 -3.59 117.00 119.52 1qf7 n LEU 55 Ca 0.08 0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 56.06 1qf7 n LEU 55 Cb 0.30 -1.06 -0.02 0.00 -2.33 0.00 0.00 43.42 40.31 1qf7 n LEU 55 CO 0.24 0.86 0.61 0.50 -1.33 0.00 0.00 177.39 178.27 1qf7 h LYS 56 N 0.00 0.88 -2.04 3.23 1.63 -0.94 -3.40 116.57 115.92 1qf7 h LYS 56 Ca -0.47 -0.42 -0.55 0.00 -0.85 0.00 0.00 60.65 58.36 1qf7 h LYS 56 Cb 1.97 -0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 33.20 1qf7 h LYS 56 CO 0.02 1.07 -1.04 0.00 -3.45 0.00 0.00 179.45 176.06 1qf7 n ALA 57 N -2.51 2.67 0.27 5.00 0.00 0.47 -3.58 120.51 122.82 1qf7 n ALA 57 Ca -0.02 -3.65 0.11 0.00 0.00 0.00 0.00 53.44 49.89 1qf7 n ALA 57 Cb 0.48 -0.84 0.74 0.00 0.00 0.00 0.00 19.45 19.83 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 3.78 0.00 -0.01 0.00 0.13 -1.72 -2.37 132.00 131.81 1qf7 h PRO 58 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1qf7 h PRO 58 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1qf7 h PRO 58 CO 0.54 0.07 -0.09 -0.25 -0.23 0.00 0.00 178.00 178.04 1qf7 n ASP 59 N -3.97 1.07 -4.64 1.44 8.00 -1.26 -4.82 116.55 112.36 1qf7 n ASP 59 Ca -0.03 -1.13 -0.42 0.00 0.71 0.00 0.00 54.79 53.92 1qf7 n ASP 59 Cb 0.16 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 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 -2.23 4.70 0.18 -3.53 2.01 -0.89 -5.03 115.64 110.85 1qf7 s THR 60 Ca 0.33 1.68 0.04 0.00 0.31 0.00 0.00 61.69 64.06 1qf7 s THR 60 Cb 0.20 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 1qf7 s THR 60 CO 0.42 -0.24 -0.06 -0.13 -0.69 0.00 0.00 174.62 173.91 1qf7 s ARG 61 N 3.17 1.17 0.31 4.92 0.52 -1.26 -5.01 118.95 122.78 1qf7 s ARG 61 Ca 0.40 -1.54 -0.18 0.00 -0.52 0.00 0.00 55.73 53.89 1qf7 s ARG 61 Cb -0.14 -0.63 0.03 0.00 0.52 0.00 0.00 34.95 34.73 1qf7 s ARG 61 CO 0.10 0.01 0.71 0.54 0.02 0.00 0.00 175.30 176.68 1qf7 s ASN 62 N -3.22 -0.12 0.30 0.23 2.20 -1.26 -5.02 114.94 108.05 1qf7 s ASN 62 Ca 0.21 -0.83 -0.02 0.00 -0.94 0.00 0.00 52.86 51.28 1qf7 s ASN 62 Cb 0.04 0.75 0.46 0.00 -2.00 0.00 0.00 41.25 40.49 1qf7 s ASN 62 CO 0.04 -1.43 1.97 -0.08 -2.94 0.00 0.00 177.10 174.66 1qf7 h GLU 63 N 2.03 1.07 -0.04 3.55 4.81 -1.97 -0.05 114.58 123.98 1qf7 h GLU 63 Ca -0.24 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1qf7 h GLU 63 Cb 1.25 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 1qf7 h GLU 63 CO 0.30 0.71 -0.05 -0.22 -0.73 0.00 0.00 179.01 179.02 1qf7 h LYS 64 N 1.10 0.11 -0.86 1.92 1.63 -1.97 -1.51 116.57 117.00 1qf7 h LYS 64 Ca 0.30 -0.06 0.08 0.00 -0.85 0.00 0.00 60.65 60.13 1qf7 h LYS 64 Cb -0.11 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.46 1qf7 h LYS 64 CO -0.07 0.58 0.52 -0.07 -3.45 0.00 0.00 179.45 176.95 1qf7 h LEU 65 N -0.35 0.77 -0.45 5.20 3.38 -1.90 -1.65 115.31 120.31 1qf7 h LEU 65 Ca 0.01 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1qf7 h LEU 65 Cb 0.56 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1qf7 h LEU 65 CO 0.01 0.46 -0.21 0.78 0.09 0.00 0.00 178.44 179.58 1qf7 h ASN 66 N 0.89 0.97 0.40 -0.43 2.35 -0.94 -3.00 115.58 115.82 1qf7 h ASN 66 Ca 0.40 -0.40 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1qf7 h ASN 66 Cb 0.29 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1qf7 h ASN 66 CO -0.22 1.15 -0.23 0.77 -1.65 0.00 0.00 177.43 177.25 1qf7 h SER 67 N 0.78 0.00 0.59 5.81 4.64 -0.36 -1.90 113.55 123.11 1qf7 h SER 67 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1qf7 h SER 67 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1qf7 h SER 67 CO 0.06 0.23 0.00 0.18 -0.87 0.00 0.00 176.83 176.44 1qf7 n LEU 68 N -3.89 0.08 0.24 5.97 4.77 -0.81 -3.27 117.00 120.09 1qf7 n LEU 68 Ca -0.02 0.52 0.09 0.00 -0.03 0.00 0.00 56.01 56.57 1qf7 n LEU 68 Cb 0.32 -0.51 0.62 0.00 -2.33 0.00 0.00 43.42 41.53 1qf7 n LEU 68 CO 0.35 -0.26 0.93 -0.08 -1.33 0.00 0.00 177.39 177.00 1qf7 h GLU 69 N 0.00 0.00 -0.05 3.23 4.57 -1.41 -1.71 114.58 119.20 1qf7 h GLU 69 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1qf7 h GLU 69 Cb 0.29 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1qf7 h GLU 69 CO 0.00 0.16 0.05 0.38 -1.18 0.00 0.00 179.01 178.42 1qf7 h ASP 70 N 0.00 0.00 -0.13 1.04 2.03 -1.79 -2.34 116.42 115.23 1qf7 h ASP 70 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1qf7 h ASP 70 Cb 0.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 1qf7 h ASP 70 CO 0.02 0.00 0.00 1.33 -1.03 0.00 0.00 179.24 179.56 1qf7 n VAL 71 N -3.92 0.51 -2.49 4.15 0.24 -0.66 -5.00 118.33 111.15 1qf7 n VAL 71 Ca -0.02 -0.75 -0.40 0.00 -2.04 0.00 0.00 64.34 61.13 1qf7 n VAL 71 Cb 0.15 0.83 -0.04 0.00 -1.47 0.00 0.00 33.84 33.30 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 -0.83 4.56 -0.05 7.34 0.52 -0.88 -5.03 118.95 124.57 1qf7 s ARG 72 Ca 0.13 1.74 0.06 0.00 -0.52 0.00 0.00 55.73 57.14 1qf7 s ARG 72 Cb 0.08 -3.07 -0.02 0.00 0.52 0.00 0.00 34.95 32.46 1qf7 s ARG 72 CO 0.11 0.15 -0.22 0.15 0.02 0.00 0.00 175.30 175.51 1qf7 s LYS 73 N -1.63 2.45 0.00 3.54 1.02 -1.26 -5.06 119.74 118.81 1qf7 s LYS 73 Ca 0.47 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.60 1qf7 s LYS 73 Cb -0.30 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 1qf7 s LYS 73 CO 0.38 0.48 0.00 0.41 -0.92 0.00 0.00 175.35 175.70 1qf7 n GLY 74 N 2.68 1.16 0.00 -3.33 0.00 -1.26 -5.07 105.19 99.37 1qf7 n GLY 74 Ca -0.17 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1qf7 n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qf7 n SER 75 N 0.00 0.00 -4.76 1.61 3.41 -1.26 -5.08 113.62 107.54 1qf7 n SER 75 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1qf7 n SER 75 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1qf7 n SER 75 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1qf7 s GLU 76 N -1.00 4.18 0.00 4.33 2.02 -1.26 -2.02 118.70 124.95 1qf7 s GLU 76 Ca 0.00 2.46 0.00 0.00 0.02 0.00 0.00 54.97 57.45 1qf7 s GLU 76 Cb 0.00 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.19 1qf7 s GLU 76 CO 0.00 -0.50 0.00 0.09 0.02 0.00 0.00 175.26 174.87 1qf7 n ASN 77 N 1.65 -3.16 -4.73 -0.19 3.02 -1.26 -5.01 115.26 105.58 1qf7 n ASN 77 Ca 0.05 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.30 1qf7 n ASN 77 Cb 0.39 -1.67 -0.07 0.00 -0.61 0.00 0.00 39.78 37.82 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 -1.85 3.09 0.52 3.10 2.02 -0.86 -5.10 117.35 118.28 1qf7 s TYR 78 Ca 0.00 0.03 -0.20 0.00 -0.37 0.00 0.00 57.07 56.53 1qf7 s TYR 78 Cb 0.00 -1.58 -0.07 0.00 -0.40 0.00 0.00 41.96 39.91 1qf7 s TYR 78 CO 0.00 0.50 1.10 0.00 -1.57 0.00 0.00 175.55 175.58 1qf7 s ALA 79 N -1.34 2.75 0.03 3.71 0.00 -1.26 -5.03 121.76 120.62 1qf7 s ALA 79 Ca 0.27 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 1qf7 s ALA 79 Cb -0.12 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 1qf7 s ALA 79 CO 0.20 -0.62 1.12 -1.17 0.00 0.00 0.00 175.76 175.29 1qf7 s LEU 80 N -3.71 4.36 0.23 0.00 2.96 -1.26 -5.00 118.68 116.27 1qf7 s LEU 80 Ca 0.71 1.88 0.00 0.00 -0.22 0.00 0.00 54.13 56.50 1qf7 s LEU 80 Cb -0.21 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 1qf7 s LEU 80 CO 0.25 -0.41 0.12 0.42 -1.32 0.00 0.00 176.35 175.42 1qf7 s THR 81 N 1.11 0.21 1.10 3.68 -4.23 -1.26 -1.52 115.64 114.73 1qf7 s THR 81 Ca 0.56 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.91 1qf7 s THR 81 Cb -0.26 -2.55 0.24 0.00 1.34 0.00 0.00 72.50 71.26 1qf7 s THR 81 CO 0.28 0.00 1.12 0.42 -0.54 0.00 0.00 174.62 175.90 1qf7 s THR 82 N -3.97 1.80 0.04 3.99 -4.23 -0.07 -4.89 115.64 108.32 1qf7 s THR 82 Ca 0.38 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 61.22 1qf7 s THR 82 Cb 0.07 -2.55 0.35 0.00 1.34 0.00 0.00 72.50 71.71 1qf7 s THR 82 CO 0.13 0.00 1.96 0.78 -0.54 0.00 0.00 174.62 176.95 1qf7 h ASN 83 N -2.20 0.00 -0.23 3.99 2.35 -1.98 -2.17 115.58 115.34 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 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.23 1qf7 n GLN 84 N -2.79 1.90 -0.74 0.81 1.13 -1.26 -4.93 117.38 111.50 1qf7 n GLN 84 Ca 0.00 -1.36 0.00 0.00 -1.94 0.00 0.00 57.00 53.71 1qf7 n GLN 84 Cb 0.21 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.15 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 1.20 0.60 3.67 1.08 0.00 -0.81 -5.05 105.19 105.89 1qf7 n GLY 85 Ca 0.16 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 4.87 0.37 1.61 1.01 -1.26 -4.80 120.40 120.20 1qf7 s VAL 86 Ca 0.00 1.68 -0.27 0.00 0.00 0.00 0.00 61.98 63.39 1qf7 s VAL 86 Cb 0.00 -4.16 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 1qf7 s VAL 86 CO 0.00 0.03 1.33 -0.13 0.00 0.00 0.00 175.10 176.33 1qf7 s ARG 87 N 2.10 4.14 -0.17 2.72 0.52 -1.26 -0.89 118.95 126.11 1qf7 s ARG 87 Ca 0.40 2.25 -0.10 0.00 -0.52 0.00 0.00 55.73 57.75 1qf7 s ARG 87 Cb -0.17 -2.92 -0.05 0.00 0.52 0.00 0.00 34.95 32.34 1qf7 s ARG 87 CO 0.13 -0.38 0.17 0.42 0.02 0.00 0.00 175.30 175.66 1qf7 s ILE 88 N -1.19 5.41 -0.18 1.52 1.01 -0.57 -4.90 121.20 122.29 1qf7 s ILE 88 Ca 0.53 0.27 -0.05 0.00 0.00 0.00 0.00 60.65 61.40 1qf7 s ILE 88 Cb -0.40 -3.49 -0.22 0.00 0.01 0.00 0.00 42.46 38.36 1qf7 s ILE 88 CO 0.53 0.48 0.12 0.00 0.00 0.00 0.00 174.94 176.07 1qf7 n ALA 89 N 3.12 1.08 -3.74 9.38 0.00 -1.26 -4.81 120.51 124.27 1qf7 n ALA 89 Ca -0.16 -0.78 -0.29 0.00 0.00 0.00 0.00 53.44 52.21 1qf7 n ALA 89 Cb 0.53 -0.44 -0.15 0.00 0.00 0.00 0.00 19.45 19.38 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 -6.88 3.70 -0.15 0.00 -1.08 -1.26 -4.97 116.67 106.03 1qf7 s ASP 90 Ca -0.28 -1.37 0.13 0.00 -0.52 0.00 0.00 52.55 50.51 1qf7 s ASP 90 Cb 0.08 -0.80 0.64 0.00 -1.46 0.00 0.00 42.92 41.38 1qf7 s ASP 90 CO 0.69 -0.37 1.50 -0.67 0.52 0.00 0.00 175.17 176.84 1qf7 n ASP 91 N 4.90 4.51 -0.00 -0.34 2.03 -1.26 -4.14 116.55 122.25 1qf7 n ASP 91 Ca -0.05 -2.59 0.07 0.00 0.52 0.00 0.00 54.79 52.73 1qf7 n ASP 91 Cb 0.44 -0.60 -0.09 0.00 -0.72 0.00 0.00 41.12 40.15 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 0.67 1.92 -4.01 -0.67 1.13 -1.26 -5.05 117.38 110.10 1qf7 n GLN 92 Ca 0.22 -0.04 -0.11 0.00 -1.94 0.00 0.00 57.00 55.13 1qf7 n GLN 92 Cb 0.91 -1.20 -0.12 0.00 0.11 0.00 0.00 30.24 29.95 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 -2.66 0.48 0.61 1.08 0.01 -1.26 -5.15 114.94 108.04 1qf7 s ASN 93 Ca 0.02 -0.44 -0.12 0.00 -0.71 0.00 0.00 52.86 51.61 1qf7 s ASN 93 Cb 0.10 0.05 -0.04 0.00 0.41 0.00 0.00 41.25 41.77 1qf7 s ASN 93 CO 0.57 -0.21 1.03 -0.44 -1.51 0.00 0.00 177.10 176.53 1qf7 s SER 94 N -1.27 6.20 -0.06 -1.22 0.01 -1.26 -4.99 113.70 111.11 1qf7 s SER 94 Ca -0.11 1.49 -0.28 0.00 1.31 0.00 0.00 55.95 58.36 1qf7 s SER 94 Cb -0.08 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 1qf7 s SER 94 CO -0.00 -0.89 0.91 -0.22 0.41 0.00 0.00 173.24 173.45 1qf7 s LEU 95 N -4.97 4.30 0.10 2.44 2.96 -1.26 -5.04 118.68 117.22 1qf7 s LEU 95 Ca 0.56 1.46 0.01 0.00 -0.22 0.00 0.00 54.13 55.95 1qf7 s LEU 95 Cb -0.11 -3.42 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 1qf7 s LEU 95 CO 0.49 -0.29 -0.05 0.00 -1.32 0.00 0.00 176.35 175.18 1qf7 s ARG 96 N 1.37 0.85 -0.96 1.98 1.70 -1.26 -1.43 118.95 121.20 1qf7 s ARG 96 Ca 0.46 -1.35 -0.18 0.00 -0.47 0.00 0.00 55.73 54.19 1qf7 s ARG 96 Cb -0.19 -0.14 0.14 0.00 -0.57 0.00 0.00 34.95 34.19 1qf7 s ARG 96 CO 0.21 -0.06 1.14 0.00 -1.08 0.00 0.00 175.30 175.52 1qf7 s ALA 97 N -3.69 3.48 0.00 7.88 0.00 -1.03 -4.77 121.76 123.64 1qf7 s ALA 97 Ca 0.13 -2.87 0.00 0.00 0.00 0.00 0.00 51.96 49.22 1qf7 s ALA 97 Cb 0.06 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1qf7 s ALA 97 CO -0.04 -2.92 0.00 0.41 0.00 0.00 0.00 175.76 173.21 1qf7 n GLY 98 N 5.25 0.39 0.18 0.00 0.00 -1.26 -3.49 105.19 106.26 1qf7 n GLY 98 Ca 0.25 -1.62 0.14 0.00 0.00 0.00 0.00 46.02 44.79 1qf7 n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qf7 h SER 99 N 0.00 0.00 -0.13 1.61 4.64 -2.00 -0.05 113.55 117.62 1qf7 h SER 99 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1qf7 h SER 99 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1qf7 h SER 99 CO 0.00 0.00 -0.02 0.54 -0.87 0.00 0.00 176.83 176.48 1qf7 n ARG 100 N -2.48 2.02 -2.43 4.77 1.74 -1.26 -5.07 116.66 113.94 1qf7 n ARG 100 Ca 0.01 -2.75 -0.15 0.00 -0.77 0.00 0.00 57.85 54.18 1qf7 n ARG 100 Cb 0.23 -1.67 0.06 0.00 -1.02 0.00 0.00 32.46 30.06 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 -1.02 1.69 3.78 -0.13 0.00 -0.03 -5.06 105.19 104.42 1qf7 n GLY 101 Ca 0.19 -2.16 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 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 -4.12 3.83 0.29 1.61 0.04 -1.26 -4.65 135.00 130.74 1qf7 s PRO 102 Ca 0.48 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 1qf7 s PRO 102 Cb -0.04 -2.27 -0.10 0.00 0.04 0.00 0.00 34.50 32.14 1qf7 s PRO 102 CO 0.31 -0.43 1.24 0.99 0.04 0.00 0.00 177.00 179.15 1qf7 s THR 103 N -1.77 3.06 0.10 1.26 2.01 -1.26 -2.45 115.64 116.58 1qf7 s THR 103 Ca 0.65 1.03 -0.14 0.00 0.31 0.00 0.00 61.69 63.53 1qf7 s THR 103 Cb -0.21 -3.65 -0.06 0.00 0.01 0.00 0.00 72.50 68.58 1qf7 s THR 103 CO 0.26 0.23 0.51 -0.76 -0.69 0.00 0.00 174.62 174.16 1qf7 s LEU 104 N -1.35 4.39 0.51 4.42 1.43 -0.51 -4.95 118.68 122.61 1qf7 s LEU 104 Ca 0.49 1.04 0.26 0.00 -1.03 0.00 0.00 54.13 54.89 1qf7 s LEU 104 Cb -0.37 -3.06 1.36 0.00 0.03 0.00 0.00 46.19 44.16 1qf7 s LEU 104 CO 0.46 0.17 2.04 0.25 0.23 0.00 0.00 176.35 179.51 1qf7 h LEU 105 N 3.90 0.00 0.00 1.79 5.85 -1.95 -2.53 115.31 122.37 1qf7 h LEU 105 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1qf7 h LEU 105 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1qf7 h LEU 105 CO 0.65 0.14 0.00 -1.84 -0.34 0.00 0.00 178.44 177.05 1qf7 n GLU 106 N -3.68 0.72 -2.44 1.25 0.28 -1.26 -4.57 120.64 110.95 1qf7 n GLU 106 Ca -0.02 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.60 1qf7 n GLU 106 Cb 0.26 -1.45 -0.02 0.00 1.43 0.00 0.00 31.44 31.66 1qf7 n GLU 106 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1qf7 s ASP 107 N -1.92 6.27 0.52 -1.84 -1.08 -0.96 -4.75 116.67 112.92 1qf7 s ASP 107 Ca 0.31 -1.83 0.31 0.00 -0.52 0.00 0.00 52.55 50.82 1qf7 s ASP 107 Cb 0.14 -2.58 1.16 0.00 -1.46 0.00 0.00 42.92 40.18 1qf7 s ASP 107 CO 0.24 -1.74 1.91 2.19 0.52 0.00 0.00 175.17 178.28 1qf7 h PHE 108 N 8.99 0.00 -0.03 -5.34 -0.00 -1.91 -2.27 116.94 116.38 1qf7 h PHE 108 Ca 0.30 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 58.24 1qf7 h PHE 108 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.89 1qf7 h PHE 108 CO 1.33 0.02 -0.09 0.82 -0.00 0.00 0.00 178.31 180.38 1qf7 h ILE 109 N 0.00 1.48 -0.09 0.88 2.04 -1.98 -2.18 117.51 117.65 1qf7 h ILE 109 Ca -0.00 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 64.33 1qf7 h ILE 109 Cb 0.62 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 1qf7 h ILE 109 CO 0.00 0.42 0.02 0.25 0.00 0.00 0.00 178.15 178.84 1qf7 h LEU 110 N -0.47 0.01 -1.08 1.44 5.85 -1.94 -2.35 115.31 116.78 1qf7 h LEU 110 Ca -0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1qf7 h LEU 110 Cb 0.73 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1qf7 h LEU 110 CO 0.02 0.02 0.44 0.03 -0.34 0.00 0.00 178.44 178.61 1qf7 h ARG 111 N 0.06 1.08 -0.49 1.25 3.08 -1.37 -0.58 114.38 117.41 1qf7 h ARG 111 Ca 0.04 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 59.85 1qf7 h ARG 111 Cb 0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1qf7 h ARG 111 CO -0.05 0.78 -0.20 1.49 -1.07 0.00 0.00 179.97 180.93 1qf7 h GLU 112 N 1.09 1.00 0.06 0.04 4.81 -1.35 0.61 114.58 120.84 1qf7 h GLU 112 Ca 0.28 -0.42 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1qf7 h GLU 112 Cb 0.01 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1qf7 h GLU 112 CO -0.05 1.10 -0.03 -0.22 -0.73 0.00 0.00 179.01 179.08 1qf7 h LYS 113 N 0.86 -0.08 -0.33 1.92 3.64 -0.92 -0.34 116.57 121.33 1qf7 h LYS 113 Ca 0.11 0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.34 1qf7 h LYS 113 Cb 0.78 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1qf7 h LYS 113 CO 0.06 0.16 -0.44 0.82 -2.27 0.00 0.00 179.45 177.78 1qf7 h ILE 114 N -0.31 1.28 -0.15 2.00 1.08 -1.11 -2.77 117.51 117.53 1qf7 h ILE 114 Ca -0.01 -1.62 0.01 0.00 -0.39 0.00 0.00 64.86 62.85 1qf7 h ILE 114 Cb 0.27 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 1qf7 h ILE 114 CO 0.01 0.53 0.07 0.74 -0.69 0.00 0.00 178.15 178.82 1qf7 h THR 115 N 0.67 1.00 -0.20 -0.27 2.02 -0.75 0.25 112.91 115.63 1qf7 h THR 115 Ca 0.04 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1qf7 h THR 115 Cb 1.02 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1qf7 h THR 115 CO 0.10 0.03 0.09 -0.74 0.37 0.00 0.00 175.52 175.37 1qf7 h HIS 116 N 0.16 0.17 -0.18 3.16 -0.00 -1.07 -2.17 115.15 115.22 1qf7 h HIS 116 Ca 0.06 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.48 1qf7 h HIS 116 Cb 0.01 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 27.33 1qf7 h HIS 116 CO -0.09 0.10 -0.08 0.35 -0.00 0.00 0.00 177.93 178.20 1qf7 h PHE 117 N 0.20 -0.19 -0.21 5.26 3.57 -1.23 -2.61 116.94 121.72 1qf7 h PHE 117 Ca 0.08 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1qf7 h PHE 117 Cb 0.02 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1qf7 h PHE 117 CO -0.10 -0.13 0.20 -0.44 -2.23 0.00 0.00 178.31 175.62 1qf7 h ASP 118 N -0.06 0.00 -0.47 0.41 3.32 0.06 -2.53 116.42 117.15 1qf7 h ASP 118 Ca 0.10 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.96 1qf7 h ASP 118 Cb 0.21 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.64 1qf7 h ASP 118 CO -0.22 0.00 0.09 1.41 -1.72 0.00 0.00 179.24 178.80 1qf7 n HIS 119 N -3.95 1.49 -0.08 4.55 8.25 -0.87 -4.73 115.22 119.88 1qf7 n HIS 119 Ca 0.02 -1.41 -0.08 0.00 -0.26 0.00 0.00 57.72 55.99 1qf7 n HIS 119 Cb 0.34 -0.54 0.08 0.00 1.12 0.00 0.00 29.99 30.99 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 1.39 0.76 -6.81 -0.41 5.08 -1.28 -3.45 114.58 109.86 1qf7 h GLU 120 Ca 0.23 -0.33 -0.48 0.00 -1.00 0.00 0.00 59.36 57.78 1qf7 h GLU 120 Cb 1.86 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.06 1qf7 h GLU 120 CO 0.49 0.94 0.29 1.03 -1.00 0.00 0.00 179.01 180.77 1qf7 s ARG 121 N -4.53 4.52 0.22 2.33 1.81 -1.26 -5.09 118.95 116.94 1qf7 s ARG 121 Ca -0.09 1.23 0.09 0.00 -1.72 0.00 0.00 55.73 55.24 1qf7 s ARG 121 Cb 0.13 -2.84 -0.05 0.00 -0.45 0.00 0.00 34.95 31.74 1qf7 s ARG 121 CO 0.84 0.31 -0.16 0.96 -0.68 0.00 0.00 175.30 176.57 1qf7 s ILE 122 N -1.58 1.91 0.45 1.52 -4.36 -1.26 -5.12 121.20 112.77 1qf7 s ILE 122 Ca 0.48 -2.23 -0.25 0.00 -0.26 0.00 0.00 60.65 58.40 1qf7 s ILE 122 Cb -0.18 -2.08 -0.09 0.00 1.25 0.00 0.00 42.46 41.36 1qf7 s ILE 122 CO 0.23 -0.53 1.30 -2.65 0.24 0.00 0.00 174.94 173.54 1qf7 n PRO 123 N -0.37 1.91 -2.05 0.37 -0.02 -1.26 -4.99 135.00 128.60 1qf7 n PRO 123 Ca -0.08 0.69 -0.29 0.00 -2.02 0.00 0.00 63.50 61.80 1qf7 n PRO 123 Cb 0.60 -2.45 0.04 0.00 -0.02 0.00 0.00 33.50 31.66 1qf7 n PRO 123 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1qf7 s GLU 124 N -2.38 2.95 0.30 -0.52 -1.05 -1.26 -4.91 118.70 111.83 1qf7 s GLU 124 Ca 0.63 0.35 -0.29 0.00 -0.15 0.00 0.00 54.97 55.50 1qf7 s GLU 124 Cb -0.48 -2.11 -0.12 0.00 -0.44 0.00 0.00 34.13 30.98 1qf7 s GLU 124 CO 0.56 -0.88 1.44 0.54 0.95 0.00 0.00 175.26 177.87 1qf7 n ARG 125 N -2.85 2.34 -0.26 -4.83 1.74 -1.26 -4.90 116.66 106.64 1qf7 n ARG 125 Ca 0.06 0.83 0.01 0.00 -0.77 0.00 0.00 57.85 57.98 1qf7 n ARG 125 Cb 0.57 -2.51 0.14 0.00 -1.02 0.00 0.00 32.46 29.64 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 2.97 0.89 -3.32 0.55 -0.00 -1.98 -3.35 117.51 113.28 1qf7 h ILE 126 Ca -0.47 -0.23 -0.38 0.00 -0.00 0.00 0.00 64.86 63.78 1qf7 h ILE 126 Cb 1.26 0.15 -0.15 0.00 -0.00 0.00 0.00 36.82 38.08 1qf7 h ILE 126 CO 0.71 0.12 -0.73 0.68 -0.00 0.00 0.00 178.15 178.94 1qf7 s VAL 127 N -6.06 1.33 -1.56 0.16 -7.23 -1.26 -4.81 120.40 100.98 1qf7 s VAL 127 Ca -0.13 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.03 1qf7 s VAL 127 Cb 0.18 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 35.32 1qf7 s VAL 127 CO 0.77 -0.63 0.15 1.41 -0.31 0.00 0.00 175.10 176.49 1qf7 n HIS 128 N -0.04 -1.14 0.22 2.82 8.25 -0.47 -4.89 115.22 119.96 1qf7 n HIS 128 Ca -0.11 0.13 0.05 0.00 -0.26 0.00 0.00 57.72 57.53 1qf7 n HIS 128 Cb 0.60 -3.83 0.49 0.00 1.12 0.00 0.00 29.99 28.37 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 0.90 1.68 -2.46 -1.41 0.00 -1.70 -3.40 119.26 112.87 1qf7 h ALA 129 Ca -0.46 -0.18 -0.64 0.00 0.00 0.00 0.00 54.91 53.64 1qf7 h ALA 129 Cb 1.33 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 1qf7 h ALA 129 CO 0.53 0.24 -0.02 0.50 0.00 0.00 0.00 179.25 180.50 1qf7 s ARG 130 N -4.62 3.72 0.02 0.00 6.06 -1.24 -3.98 118.95 118.90 1qf7 s ARG 130 Ca -0.04 -0.04 -0.28 0.00 -2.50 0.00 0.00 55.73 52.87 1qf7 s ARG 130 Cb 0.16 -3.78 0.07 0.00 0.06 0.00 0.00 34.95 31.46 1qf7 s ARG 130 CO 0.70 -0.60 0.65 0.20 -2.50 0.00 0.00 175.30 173.75 1qf7 s GLY 131 N 1.73 -0.59 -0.03 8.12 0.00 -1.26 -1.27 107.32 114.00 1qf7 s GLY 131 Ca 0.20 1.05 0.03 0.00 0.00 0.00 0.00 44.72 46.00 1qf7 s GLY 131 CO 0.13 0.70 -0.13 -0.56 0.00 0.00 0.00 173.10 173.24 1qf7 s SER 132 N -1.71 1.63 0.21 1.64 0.01 0.81 -4.92 113.70 111.37 1qf7 s SER 132 Ca -0.07 -0.26 0.05 0.00 1.31 0.00 0.00 55.95 56.98 1qf7 s SER 132 Cb -0.00 -0.45 -0.05 0.00 0.21 0.00 0.00 66.02 65.72 1qf7 s SER 132 CO 0.02 0.10 -0.06 0.00 0.41 0.00 0.00 173.24 173.72 1qf7 s ALA 133 N 0.14 1.81 0.04 1.44 0.00 -1.26 -0.38 121.76 123.55 1qf7 s ALA 133 Ca -0.04 -1.69 -0.23 0.00 0.00 0.00 0.00 51.96 50.01 1qf7 s ALA 133 Cb -0.10 0.23 0.05 0.00 0.00 0.00 0.00 23.12 23.30 1qf7 s ALA 133 CO 0.01 -0.13 0.53 0.00 0.00 0.00 0.00 175.76 176.16 1qf7 s ALA 134 N -3.27 -1.34 0.46 0.00 0.00 -0.63 -4.58 121.76 112.41 1qf7 s ALA 134 Ca 0.24 0.62 -0.08 0.00 0.00 0.00 0.00 51.96 52.74 1qf7 s ALA 134 Cb 0.04 0.37 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1qf7 s ALA 134 CO 0.06 -0.50 0.81 -1.01 0.00 0.00 0.00 175.76 175.12 1qf7 s HIS 135 N -2.40 3.53 0.00 0.00 3.76 0.20 -0.89 115.29 119.49 1qf7 s HIS 135 Ca -0.05 0.99 0.00 0.00 -0.15 0.00 0.00 55.06 55.84 1qf7 s HIS 135 Cb -0.01 -2.42 0.00 0.00 1.11 0.00 0.00 32.58 31.26 1qf7 s HIS 135 CO -0.01 -0.25 0.00 0.41 -0.85 0.00 0.00 174.74 174.03 1qf7 n GLY 136 N -1.88 0.89 3.21 -2.22 0.00 -0.91 -1.83 105.19 102.45 1qf7 n GLY 136 Ca 0.02 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.91 -0.00 0.10 1.61 1.13 -0.08 -0.84 117.35 117.36 1qf7 s TYR 137 Ca 0.00 -0.20 0.07 0.00 -1.41 0.00 0.00 57.07 55.53 1qf7 s TYR 137 Cb 0.00 0.02 -0.03 0.00 -1.10 0.00 0.00 41.96 40.84 1qf7 s TYR 137 CO 0.00 -0.47 -0.18 0.12 -2.51 0.00 0.00 175.55 172.52 1qf7 s PHE 138 N -2.64 1.58 -0.20 -3.49 5.36 0.75 -1.07 117.98 118.28 1qf7 s PHE 138 Ca -0.04 -0.45 -0.11 0.00 -0.96 0.00 0.00 56.93 55.36 1qf7 s PHE 138 Cb -0.01 -0.86 0.06 0.00 -0.34 0.00 0.00 43.02 41.88 1qf7 s PHE 138 CO -0.04 0.17 0.48 -1.14 -1.46 0.00 0.00 175.22 173.23 1qf7 s GLN 139 N -2.06 0.48 0.55 10.12 0.74 -0.88 -0.63 119.66 127.98 1qf7 s GLN 139 Ca 0.05 0.90 -0.16 0.00 0.05 0.00 0.00 55.36 56.20 1qf7 s GLN 139 Cb -0.09 0.03 -0.06 0.00 1.10 0.00 0.00 33.01 33.99 1qf7 s GLN 139 CO 0.04 -0.15 1.01 -1.25 -0.55 0.00 0.00 175.29 174.38 1qf7 s PRO 140 N 1.42 3.73 0.16 1.67 0.04 -1.26 -1.49 135.00 139.27 1qf7 s PRO 140 Ca -0.09 1.01 0.01 0.00 0.04 0.00 0.00 61.00 61.97 1qf7 s PRO 140 Cb -0.07 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1qf7 s PRO 140 CO -0.14 -0.46 1.37 1.88 0.04 0.00 0.00 177.00 179.69 1qf7 h TYR 141 N 0.66 0.35 -3.06 0.56 0.05 -1.51 -3.38 116.97 110.63 1qf7 h TYR 141 Ca -0.47 -0.19 -0.02 0.00 0.05 0.00 0.00 58.73 58.10 1qf7 h TYR 141 Cb 1.20 -0.04 -0.12 0.00 1.01 0.00 0.00 36.73 38.78 1qf7 h TYR 141 CO 0.62 1.00 0.17 -1.59 -1.05 0.00 0.00 178.16 177.31 1qf7 s LYS 142 N -3.24 1.27 0.26 4.88 -2.85 -1.26 -4.76 119.74 114.04 1qf7 s LYS 142 Ca -0.03 -0.53 -0.31 0.00 -1.00 0.00 0.00 55.97 54.10 1qf7 s LYS 142 Cb 0.10 0.57 -0.12 0.00 -2.06 0.00 0.00 37.83 36.32 1qf7 s LYS 142 CO 0.83 -0.55 1.57 0.45 0.10 0.00 0.00 175.35 177.76 1qf7 n SER 143 N -0.36 3.59 -1.33 0.03 2.88 -1.26 -4.68 113.62 112.49 1qf7 n SER 143 Ca -0.16 1.13 0.02 0.00 -1.33 0.00 0.00 58.87 58.53 1qf7 n SER 143 Cb 0.65 -1.55 0.27 0.00 -0.75 0.00 0.00 64.21 62.83 1qf7 n SER 143 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1qf7 n LEU 144 N 2.46 4.71 0.29 2.46 4.77 -0.10 -4.72 117.00 126.87 1qf7 n LEU 144 Ca 0.11 -3.21 0.17 0.00 -0.03 0.00 0.00 56.01 53.05 1qf7 n LEU 144 Cb 0.35 -0.63 0.88 0.00 -2.33 0.00 0.00 43.42 41.69 1qf7 n LEU 144 CO 0.64 0.81 1.15 0.77 -1.33 0.00 0.00 177.39 179.43 1qf7 h SER 145 N 2.07 0.00 0.44 -1.43 4.64 -1.77 0.77 113.55 118.27 1qf7 h SER 145 Ca 0.12 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.32 1qf7 h SER 145 Cb 1.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.86 1qf7 h SER 145 CO 0.42 0.00 -0.51 0.44 -0.87 0.00 0.00 176.83 176.31 1qf7 h ASP 146 N 0.00 0.09 0.00 4.97 3.32 -1.98 -3.33 116.42 119.48 1qf7 h ASP 146 Ca 0.04 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1qf7 h ASP 146 Cb 0.59 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1qf7 h ASP 146 CO -0.00 0.59 -1.19 2.30 -1.72 0.00 0.00 179.24 179.21 1qf7 n ILE 147 N -3.93 0.00 -3.70 0.35 -5.35 0.14 -4.85 119.36 102.02 1qf7 n ILE 147 Ca -0.02 -0.26 -0.14 0.00 -0.27 0.00 0.00 62.75 62.07 1qf7 n ILE 147 Cb 0.54 0.49 -0.08 0.00 -1.74 0.00 0.00 39.64 38.84 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 -2.56 0.03 -2.04 7.28 -1.32 -0.46 -3.50 115.64 113.07 1qf7 s THR 148 Ca -0.01 -0.22 0.17 0.00 -1.21 0.00 0.00 61.69 60.42 1qf7 s THR 148 Cb 0.08 -0.70 0.47 0.00 -1.51 0.00 0.00 72.50 70.84 1qf7 s THR 148 CO 0.48 -0.12 1.40 2.29 -2.21 0.00 0.00 174.62 176.46 1qf7 n LYS 149 N 1.74 2.22 -1.77 7.08 2.85 -0.47 -3.70 118.16 126.11 1qf7 n LYS 149 Ca -0.18 -1.90 -0.42 0.00 -1.05 0.00 0.00 58.31 54.76 1qf7 n LYS 149 Cb 0.56 -1.42 -0.03 0.00 -0.65 0.00 0.00 35.03 33.50 1qf7 n LYS 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qf7 s ALA 150 N -1.33 3.71 0.30 0.58 0.00 -1.23 -4.68 121.76 119.12 1qf7 s ALA 150 Ca 0.36 1.35 0.03 0.00 0.00 0.00 0.00 51.96 53.70 1qf7 s ALA 150 Cb 0.19 -3.76 0.49 0.00 0.00 0.00 0.00 23.12 20.04 1qf7 s ALA 150 CO 0.25 -1.26 1.79 0.22 0.00 0.00 0.00 175.76 176.77 1qf7 h ASP 151 N 8.87 0.50 0.65 0.00 3.58 -1.92 -2.40 116.42 125.70 1qf7 h ASP 151 Ca -0.45 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 56.86 1qf7 h ASP 151 Cb 1.21 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1qf7 h ASP 151 CO 0.94 0.66 0.00 2.22 -2.88 0.00 0.00 179.24 180.18 1qf7 n PHE 152 N -4.20 0.81 -0.12 0.28 -1.74 -1.26 -1.53 117.46 109.71 1qf7 n PHE 152 Ca 0.01 0.33 0.07 0.00 -0.56 0.00 0.00 57.45 57.30 1qf7 n PHE 152 Cb 0.33 -1.03 0.18 0.00 1.52 0.00 0.00 39.48 40.47 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 -2.25 3.06 0.04 5.98 4.77 -0.92 -4.66 117.00 123.02 1qf7 n LEU 153 Ca 0.02 -1.87 0.13 0.00 -0.03 0.00 0.00 56.01 54.26 1qf7 n LEU 153 Cb 0.21 -0.26 0.40 0.00 -2.33 0.00 0.00 43.42 41.45 1qf7 n LEU 153 CO 0.19 0.74 0.73 -1.54 -1.33 0.00 0.00 177.39 176.18 1qf7 n SER 154 N 0.80 0.46 -3.66 -1.43 3.41 -0.58 -0.92 113.62 111.70 1qf7 n SER 154 Ca 0.14 0.31 -0.08 0.00 -0.26 0.00 0.00 58.87 58.98 1qf7 n SER 154 Cb 0.46 -0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 64.01 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 -3.67 -0.81 0.06 4.04 -1.08 -1.26 -4.47 116.67 109.48 1qf7 s ASP 155 Ca 0.11 1.33 0.17 0.00 -0.52 0.00 0.00 52.55 53.63 1qf7 s ASP 155 Cb 0.16 1.20 0.71 0.00 -1.46 0.00 0.00 42.92 43.53 1qf7 s ASP 155 CO 0.62 -0.23 1.53 -0.81 0.52 0.00 0.00 175.17 176.80 1qf7 n PRO 156 N 4.25 0.05 -0.21 4.34 -0.04 -1.26 -1.71 135.00 140.41 1qf7 n PRO 156 Ca -0.21 0.29 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 1qf7 n PRO 156 Cb 0.58 -1.59 0.18 0.00 -0.04 0.00 0.00 33.50 32.63 1qf7 n PRO 156 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qf7 n ASN 157 N -1.67 3.11 -4.52 3.54 3.02 -1.26 -4.55 115.26 112.92 1qf7 n ASN 157 Ca 0.03 -1.96 -0.42 0.00 -0.03 0.00 0.00 54.58 52.20 1qf7 n ASN 157 Cb 0.19 -0.27 -0.09 0.00 -0.61 0.00 0.00 39.78 39.00 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 -1.02 3.36 0.02 3.52 2.20 -0.70 -5.06 119.74 122.06 1qf7 s LYS 158 Ca 0.29 -0.54 -0.14 0.00 -0.36 0.00 0.00 55.97 55.22 1qf7 s LYS 158 Cb 0.15 -3.88 -0.06 0.00 -1.51 0.00 0.00 37.83 32.53 1qf7 s LYS 158 CO 0.20 -0.70 0.41 0.42 -0.36 0.00 0.00 175.35 175.33 1qf7 s ILE 159 N 2.13 5.03 -0.22 5.43 1.01 -1.26 -4.54 121.20 128.79 1qf7 s ILE 159 Ca 0.13 0.77 0.01 0.00 0.00 0.00 0.00 60.65 61.57 1qf7 s ILE 159 Cb -0.17 -3.70 0.03 0.00 0.01 0.00 0.00 42.46 38.64 1qf7 s ILE 159 CO 0.13 0.52 -0.15 -0.89 0.00 0.00 0.00 174.94 174.55 1qf7 s THR 160 N -1.15 2.22 0.40 2.92 2.01 0.20 -4.96 115.64 117.28 1qf7 s THR 160 Ca 0.26 -1.17 -0.26 0.00 0.31 0.00 0.00 61.69 60.82 1qf7 s THR 160 Cb -0.16 -2.08 -0.10 0.00 0.01 0.00 0.00 72.50 70.16 1qf7 s THR 160 CO 0.14 0.31 1.30 -2.65 -0.69 0.00 0.00 174.62 173.03 1qf7 n PRO 161 N 4.57 2.06 -4.35 4.92 -0.02 -1.26 -0.18 135.00 140.74 1qf7 n PRO 161 Ca -0.18 0.73 -0.18 0.00 -2.02 0.00 0.00 63.50 61.85 1qf7 n PRO 161 Cb 0.47 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.45 1qf7 n PRO 161 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1qf7 s VAL 162 N -1.16 1.54 -0.09 -1.45 -7.23 -0.02 -1.45 120.40 110.53 1qf7 s VAL 162 Ca 0.59 -2.15 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 1qf7 s VAL 162 Cb -0.52 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 34.29 1qf7 s VAL 162 CO 0.60 -0.51 -0.09 0.12 -0.31 0.00 0.00 175.10 174.90 1qf7 s PHE 163 N -3.09 1.45 -0.06 2.82 5.36 -0.80 -2.14 117.98 121.52 1qf7 s PHE 163 Ca 0.24 -0.64 0.05 0.00 -0.96 0.00 0.00 56.93 55.62 1qf7 s PHE 163 Cb 0.02 -1.15 -0.02 0.00 -0.34 0.00 0.00 43.02 41.53 1qf7 s PHE 163 CO 0.07 -0.41 -0.22 0.08 -1.46 0.00 0.00 175.22 173.28 1qf7 s VAL 164 N 1.28 2.35 -0.14 3.12 1.01 -0.06 -0.82 120.40 127.13 1qf7 s VAL 164 Ca -0.03 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1qf7 s VAL 164 Cb -0.14 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1qf7 s VAL 164 CO -0.03 0.57 -0.18 -0.60 0.00 0.00 0.00 175.10 174.86 1qf7 s ARG 165 N -0.30 2.64 0.06 2.72 3.52 0.74 -1.60 118.95 126.72 1qf7 s ARG 165 Ca 0.01 -0.71 0.01 0.00 -0.13 0.00 0.00 55.73 54.91 1qf7 s ARG 165 Cb -0.13 -2.22 -0.04 0.00 -1.56 0.00 0.00 34.95 31.00 1qf7 s ARG 165 CO 0.02 -0.10 0.14 -0.06 -0.81 0.00 0.00 175.30 174.49 1qf7 s PHE 166 N 1.06 3.35 0.31 5.12 0.08 0.48 -1.64 117.98 126.74 1qf7 s PHE 166 Ca -0.03 0.18 -0.15 0.00 0.12 0.00 0.00 56.93 57.05 1qf7 s PHE 166 Cb -0.14 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.62 1qf7 s PHE 166 CO -0.05 0.56 0.65 -1.54 -0.10 0.00 0.00 175.22 174.74 1qf7 s SER 167 N -2.32 -0.00 0.34 1.36 1.04 -0.78 -0.14 113.70 113.20 1qf7 s SER 167 Ca 0.31 -0.94 0.04 0.00 0.48 0.00 0.00 55.95 55.83 1qf7 s SER 167 Cb -0.12 0.72 0.05 0.00 0.10 0.00 0.00 66.02 66.77 1qf7 s SER 167 CO 0.23 -1.39 0.41 0.35 0.98 0.00 0.00 173.24 173.82 1qf7 n THR 168 N -0.47 0.00 -0.04 2.02 -2.24 -0.40 -0.40 114.28 112.74 1qf7 n THR 168 Ca -0.04 -0.89 -0.10 0.00 -2.27 0.00 0.00 64.05 60.75 1qf7 n THR 168 Cb 0.60 -0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 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 -1.72 0.96 0.01 2.28 0.31 -1.19 -3.87 118.33 115.11 1qf7 n VAL 169 Ca 0.08 0.01 -0.12 0.00 -0.01 0.00 0.00 64.34 64.29 1qf7 n VAL 169 Cb 0.29 -1.78 -0.09 0.00 -0.91 0.00 0.00 33.84 31.35 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 -0.45 -0.10 -7.30 5.55 -0.00 -1.97 -1.26 115.11 109.58 1qf7 h GLN 170 Ca -0.20 0.01 -0.50 0.00 -0.00 0.00 0.00 58.65 57.96 1qf7 h GLN 170 Cb 0.96 0.02 0.15 0.00 0.00 0.00 0.00 27.48 28.61 1qf7 h GLN 170 CO -0.12 0.44 0.27 0.20 0.00 0.00 0.00 178.83 179.62 1qf7 s GLY 171 N -3.36 1.66 1.09 2.39 0.00 -1.26 -4.77 107.32 103.07 1qf7 s GLY 171 Ca -0.15 0.23 -0.17 0.00 0.00 0.00 0.00 44.72 44.63 1qf7 s GLY 171 CO 0.59 0.64 1.16 -0.32 0.00 0.00 0.00 173.10 175.17 1qf7 s GLY 172 N -3.23 1.63 0.52 0.20 0.00 -1.26 -3.72 107.32 101.46 1qf7 s GLY 172 Ca 0.63 -0.92 0.28 0.00 0.00 0.00 0.00 44.72 44.72 1qf7 s GLY 172 CO 0.57 -0.12 2.06 0.00 0.00 0.00 0.00 173.10 175.61 1qf7 h ALA 173 N -2.16 1.24 -0.52 3.20 0.00 -1.95 -1.56 119.26 117.51 1qf7 h ALA 173 Ca -0.46 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1qf7 h ALA 173 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1qf7 h ALA 173 CO 0.40 0.15 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1qf7 n GLY 174 N -0.61 1.96 3.16 0.00 0.00 -1.26 -4.74 105.19 103.69 1qf7 n GLY 174 Ca -0.02 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 1qf7 n GLY 174 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qf7 n SER 175 N 0.91 0.36 -4.91 1.61 3.41 -0.59 -5.07 113.62 109.34 1qf7 n SER 175 Ca 0.19 -1.54 -0.27 0.00 -0.26 0.00 0.00 58.87 56.99 1qf7 n SER 175 Cb 0.64 -0.75 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 1qf7 n SER 175 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qf7 s ALA 176 N -3.74 3.50 -0.11 7.33 0.00 -1.26 -4.94 121.76 122.53 1qf7 s ALA 176 Ca 0.60 -0.55 -0.24 0.00 0.00 0.00 0.00 51.96 51.76 1qf7 s ALA 176 Cb -0.02 -2.45 -0.27 0.00 0.00 0.00 0.00 23.12 20.38 1qf7 s ALA 176 CO 0.41 -0.11 0.72 -0.44 0.00 0.00 0.00 175.76 176.34 1qf7 h ASP 177 N 0.79 0.19 -0.52 0.00 3.32 -1.22 -3.38 116.42 115.60 1qf7 h ASP 177 Ca -0.48 -0.91 -0.32 0.00 0.02 0.00 0.00 57.03 55.34 1qf7 h ASP 177 Cb 1.20 -0.06 -0.16 0.00 0.22 0.00 0.00 39.33 40.53 1qf7 h ASP 177 CO 0.63 1.26 0.41 0.35 -1.72 0.00 0.00 179.24 180.17 1qf7 n THR 178 N -4.35 2.58 -1.20 0.35 -2.24 -1.26 -4.92 114.28 103.24 1qf7 n THR 178 Ca -0.16 -1.47 -0.29 0.00 -2.27 0.00 0.00 64.05 59.87 1qf7 n THR 178 Cb 0.66 -1.09 0.16 0.00 -2.10 0.00 0.00 70.33 67.97 1qf7 n THR 178 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1qf7 s VAL 179 N -2.21 2.29 -0.29 2.28 -7.23 -1.26 -4.40 120.40 109.59 1qf7 s VAL 179 Ca 0.32 0.09 -0.20 0.00 -1.81 0.00 0.00 61.98 60.39 1qf7 s VAL 179 Cb 0.26 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 1qf7 s VAL 179 CO 0.02 -0.12 0.62 -0.60 -0.31 0.00 0.00 175.10 174.71 1qf7 s ARG 180 N -4.97 3.97 0.11 4.82 3.52 -1.26 -4.56 118.95 120.58 1qf7 s ARG 180 Ca 0.65 0.36 -0.26 0.00 -0.13 0.00 0.00 55.73 56.35 1qf7 s ARG 180 Cb -0.18 -3.70 0.08 0.00 -1.56 0.00 0.00 34.95 29.59 1qf7 s ARG 180 CO 0.57 -0.51 1.07 0.34 -0.81 0.00 0.00 175.30 175.96 1qf7 s ASP 181 N 1.59 -0.10 0.55 -2.12 -1.08 -0.92 -4.56 116.67 110.03 1qf7 s ASP 181 Ca 0.25 -0.40 -0.16 0.00 -0.52 0.00 0.00 52.55 51.72 1qf7 s ASP 181 Cb -0.15 0.40 -0.06 0.00 -1.46 0.00 0.00 42.92 41.64 1qf7 s ASP 181 CO 0.11 -0.75 1.01 -0.63 0.52 0.00 0.00 175.17 175.43 1qf7 s ILE 182 N -2.76 4.28 -0.04 4.11 -1.09 -1.26 -4.56 121.20 119.88 1qf7 s ILE 182 Ca 0.16 1.08 0.04 0.00 -2.23 0.00 0.00 60.65 59.70 1qf7 s ILE 182 Cb -0.00 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 1qf7 s ILE 182 CO 0.01 -0.64 -0.16 -0.13 -1.23 0.00 0.00 174.94 172.80 1qf7 s ARG 183 N -4.11 2.44 0.32 2.79 1.81 -1.26 -3.19 118.95 117.76 1qf7 s ARG 183 Ca 0.60 -0.73 -0.02 0.00 -1.72 0.00 0.00 55.73 53.86 1qf7 s ARG 183 Cb -0.12 -2.33 -0.04 0.00 -0.45 0.00 0.00 34.95 32.01 1qf7 s ARG 183 CO 0.34 0.61 0.56 0.20 -0.68 0.00 0.00 175.30 176.33 1qf7 s GLY 184 N -0.73 1.60 -0.41 -3.53 0.00 0.46 -1.22 107.32 103.50 1qf7 s GLY 184 Ca 0.11 -0.72 0.06 0.00 0.00 0.00 0.00 44.72 44.17 1qf7 s GLY 184 CO 0.00 -0.64 0.52 -0.12 0.00 0.00 0.00 173.10 172.87 1qf7 s PHE 185 N -2.22 -0.98 -0.17 1.90 2.19 0.44 -1.86 117.98 117.27 1qf7 s PHE 185 Ca 0.42 -0.41 -0.04 0.00 0.33 0.00 0.00 56.93 57.23 1qf7 s PHE 185 Cb -0.10 -0.04 -0.02 0.00 -1.31 0.00 0.00 43.02 41.54 1qf7 s PHE 185 CO 0.34 -1.09 -0.04 0.00 1.83 0.00 0.00 175.22 176.27 1qf7 s ALA 186 N 1.48 2.94 -0.10 11.12 0.00 -0.65 -1.43 121.76 135.12 1qf7 s ALA 186 Ca 0.19 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1qf7 s ALA 186 Cb -0.08 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.44 1qf7 s ALA 186 CO -0.05 0.02 -0.20 0.99 0.00 0.00 0.00 175.76 176.51 1qf7 s THR 187 N 0.70 1.82 -0.37 0.00 2.01 -0.24 -0.19 115.64 119.37 1qf7 s THR 187 Ca -0.02 -0.87 -0.11 0.00 0.31 0.00 0.00 61.69 61.01 1qf7 s THR 187 Cb -0.14 -1.60 0.02 0.00 0.01 0.00 0.00 72.50 70.79 1qf7 s THR 187 CO 0.02 0.51 0.20 -0.75 -0.69 0.00 0.00 174.62 173.91 1qf7 s LYS 188 N 0.58 2.87 -0.36 4.92 2.20 0.00 -1.11 119.74 128.84 1qf7 s LYS 188 Ca -0.14 -1.05 -0.19 0.00 -0.36 0.00 0.00 55.97 54.22 1qf7 s LYS 188 Cb -0.17 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 1qf7 s LYS 188 CO 0.05 -0.68 0.57 -0.06 -0.36 0.00 0.00 175.35 174.87 1qf7 s PHE 189 N 1.56 3.16 -1.15 4.03 0.40 0.25 -1.90 117.98 124.34 1qf7 s PHE 189 Ca 0.02 0.24 -0.17 0.00 -0.60 0.00 0.00 56.93 56.43 1qf7 s PHE 189 Cb -0.19 -3.04 0.13 0.00 0.51 0.00 0.00 43.02 40.43 1qf7 s PHE 189 CO 0.07 -0.60 1.44 0.71 0.70 0.00 0.00 175.22 177.54 1qf7 s TYR 190 N 2.55 3.17 0.71 0.36 1.51 -0.53 -1.75 117.35 123.38 1qf7 s TYR 190 Ca 0.21 -1.74 -0.05 0.00 -1.01 0.00 0.00 57.07 54.48 1qf7 s TYR 190 Cb -0.15 -4.44 0.09 0.00 -0.11 0.00 0.00 41.96 37.35 1qf7 s TYR 190 CO 0.14 -1.56 1.00 0.95 -1.11 0.00 0.00 175.55 174.97 1qf7 s THR 191 N 2.73 2.28 -0.63 -0.71 -4.23 -0.83 -4.34 115.64 109.91 1qf7 s THR 191 Ca 0.43 -0.40 0.25 0.00 -1.18 0.00 0.00 61.69 60.79 1qf7 s THR 191 Cb -0.01 -2.87 0.26 0.00 1.34 0.00 0.00 72.50 71.21 1qf7 s THR 191 CO -0.01 0.00 1.74 -0.62 -0.54 0.00 0.00 174.62 175.19 1qf7 n GLU 192 N -2.89 0.21 -0.28 3.99 1.02 -1.26 -2.71 120.64 118.72 1qf7 n GLU 192 Ca 0.11 0.30 0.08 0.00 -0.02 0.00 0.00 57.16 57.63 1qf7 n GLU 192 Cb 0.60 -1.82 0.15 0.00 -0.02 0.00 0.00 31.44 30.36 1qf7 n GLU 192 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1qf7 n GLU 193 N -2.20 1.28 0.00 3.49 1.02 -1.26 -4.86 120.64 118.11 1qf7 n GLU 193 Ca 0.04 -2.71 0.00 0.00 -0.02 0.00 0.00 57.16 54.47 1qf7 n GLU 193 Cb 0.33 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 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 -1.23 3.26 3.71 0.62 0.00 -1.10 -4.75 105.19 105.71 1qf7 n GLY 194 Ca 0.16 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 1qf7 n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qf7 s ILE 195 N -2.30 4.36 -0.20 -0.61 -1.09 -1.26 -1.97 121.20 118.12 1qf7 s ILE 195 Ca 0.00 1.70 -0.03 0.00 -2.23 0.00 0.00 60.65 60.09 1qf7 s ILE 195 Cb 0.00 -4.09 -0.01 0.00 -1.58 0.00 0.00 42.46 36.78 1qf7 s ILE 195 CO 0.00 0.14 -0.05 0.12 -1.23 0.00 0.00 174.94 173.92 1qf7 s PHE 196 N 1.00 2.95 -0.25 3.97 5.36 -0.71 -4.29 117.98 126.00 1qf7 s PHE 196 Ca 0.56 -0.80 -0.08 0.00 -0.96 0.00 0.00 56.93 55.65 1qf7 s PHE 196 Cb -0.26 -2.06 -0.03 0.00 -0.34 0.00 0.00 43.02 40.33 1qf7 s PHE 196 CO 0.29 -0.43 0.09 -0.51 -1.46 0.00 0.00 175.22 173.19 1qf7 s ASP 197 N 1.20 5.30 -0.49 6.13 1.01 -0.43 -0.58 116.67 128.81 1qf7 s ASP 197 Ca 0.02 -0.15 -0.12 0.00 0.71 0.00 0.00 52.55 53.01 1qf7 s ASP 197 Cb -0.14 -1.95 0.11 0.00 1.01 0.00 0.00 42.92 41.94 1qf7 s ASP 197 CO -0.01 -0.02 0.40 -0.22 0.21 0.00 0.00 175.17 175.53 1qf7 s LEU 198 N 1.52 5.79 -0.76 1.23 0.20 -0.27 -4.53 118.68 121.86 1qf7 s LEU 198 Ca 0.06 -1.73 -0.13 0.00 0.69 0.00 0.00 54.13 53.02 1qf7 s LEU 198 Cb -0.15 -2.10 0.20 0.00 -0.43 0.00 0.00 46.19 43.71 1qf7 s LEU 198 CO 0.05 -0.73 0.69 -0.69 -0.29 0.00 0.00 176.35 175.38 1qf7 s VAL 199 N 1.49 5.30 0.14 1.68 1.01 -1.26 -1.08 120.40 127.68 1qf7 s VAL 199 Ca 0.04 -2.41 0.00 0.00 0.00 0.00 0.00 61.98 59.61 1qf7 s VAL 199 Cb -0.27 -4.31 -0.00 0.00 0.00 0.00 0.00 36.38 31.80 1qf7 s VAL 199 CO 0.02 -0.99 0.00 0.61 0.00 0.00 0.00 175.10 174.75 1qf7 n GLY 200 N 4.07 4.01 1.68 4.51 0.00 -0.51 -4.87 105.19 114.07 1qf7 n GLY 200 Ca 0.09 -2.23 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.16 0.88 -1.03 1.61 3.02 -0.66 -0.42 115.26 117.50 1qf7 n ASN 201 Ca -0.05 -2.09 0.09 0.00 -0.03 0.00 0.00 54.58 52.49 1qf7 n ASN 201 Cb 0.18 0.56 0.23 0.00 -0.61 0.00 0.00 39.78 40.14 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 -1.87 3.42 -4.14 6.41 6.94 -0.36 -0.75 115.26 124.91 1qf7 n ASN 202 Ca -0.02 -1.97 -0.19 0.00 -0.02 0.00 0.00 54.58 52.38 1qf7 n ASN 202 Cb 0.31 -0.33 -0.13 0.00 -2.36 0.00 0.00 39.78 37.26 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 -1.08 1.06 -1.80 5.53 -4.23 -1.26 -4.54 115.64 109.32 1qf7 s THR 203 Ca 0.36 -1.00 0.29 0.00 -1.18 0.00 0.00 61.69 60.16 1qf7 s THR 203 Cb 0.20 -0.97 0.72 0.00 1.34 0.00 0.00 72.50 73.78 1qf7 s THR 203 CO 0.26 -0.03 2.05 -0.81 -0.54 0.00 0.00 174.62 175.56 1qf7 n PRO 204 N 1.87 0.74 -4.34 3.99 -0.04 -1.26 -4.63 135.00 131.33 1qf7 n PRO 204 Ca -0.18 0.01 -0.17 0.00 -0.04 0.00 0.00 63.50 63.11 1qf7 n PRO 204 Cb 0.55 -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 -2.20 0.99 0.44 0.52 -0.00 -1.26 -4.52 121.20 115.16 1qf7 s ILE 205 Ca 0.38 -2.03 0.07 0.00 -0.00 0.00 0.00 60.65 59.08 1qf7 s ILE 205 Cb 0.20 -2.40 -0.02 0.00 -0.00 0.00 0.00 42.46 40.24 1qf7 s ILE 205 CO 0.37 -0.27 0.34 0.12 -0.00 0.00 0.00 174.94 175.50 1qf7 s PHE 206 N -3.45 2.52 0.06 1.37 5.36 -0.35 -4.88 117.98 118.61 1qf7 s PHE 206 Ca 0.30 -0.57 0.23 0.00 -0.96 0.00 0.00 56.93 55.93 1qf7 s PHE 206 Cb 0.06 -2.08 0.77 0.00 -0.34 0.00 0.00 43.02 41.42 1qf7 s PHE 206 CO 0.10 -0.11 1.76 0.74 -1.46 0.00 0.00 175.22 176.25 1qf7 h PHE 207 N 1.08 0.00 -3.68 10.12 0.04 -1.88 -3.39 116.94 119.23 1qf7 h PHE 207 Ca -0.41 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.10 1qf7 h PHE 207 Cb 1.27 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.27 1qf7 h PHE 207 CO 0.61 0.26 -0.70 0.96 -0.60 0.00 0.00 178.31 178.84 1qf7 s ILE 208 N -3.53 0.83 -0.17 -0.55 -4.36 -1.26 -2.89 121.20 109.27 1qf7 s ILE 208 Ca 0.01 -1.98 -0.01 0.00 -0.26 0.00 0.00 60.65 58.42 1qf7 s ILE 208 Cb 0.10 -1.79 -0.23 0.00 1.25 0.00 0.00 42.46 41.79 1qf7 s ILE 208 CO 0.65 -0.78 0.15 0.00 0.24 0.00 0.00 174.94 175.21 1qf7 n GLN 209 N -0.12 0.71 -5.25 0.37 6.02 -1.26 -4.55 117.38 113.29 1qf7 n GLN 209 Ca -0.11 0.21 -0.31 0.00 -0.01 0.00 0.00 57.00 56.78 1qf7 n GLN 209 Cb 0.61 -1.64 -0.16 0.00 1.02 0.00 0.00 30.24 30.08 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 -6.69 3.15 0.51 1.08 -1.08 -1.26 -2.56 116.67 109.82 1qf7 s ASP 210 Ca -0.25 -0.46 0.23 0.00 -0.52 0.00 0.00 52.55 51.55 1qf7 s ASP 210 Cb 0.08 -0.57 1.34 0.00 -1.46 0.00 0.00 42.92 42.30 1qf7 s ASP 210 CO 0.71 0.29 2.00 0.00 0.52 0.00 0.00 175.17 178.70 1qf7 h ALA 211 N 5.69 2.41 -0.13 3.66 0.00 -1.68 -1.22 119.26 127.99 1qf7 h ALA 211 Ca -0.39 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.54 1qf7 h ALA 211 Cb 1.14 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1qf7 h ALA 211 CO 0.47 -0.56 0.15 1.25 0.00 0.00 0.00 179.25 180.57 1qf7 h HIS 212 N 0.06 0.00 -0.01 0.00 6.17 -1.95 0.70 115.15 120.11 1qf7 h HIS 212 Ca 0.25 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.33 1qf7 h HIS 212 Cb 0.92 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.85 1qf7 h HIS 212 CO -0.00 0.00 -0.06 1.63 0.71 0.00 0.00 177.93 180.21 1qf7 n LYS 213 N -3.77 1.53 0.07 5.26 5.02 -0.46 -4.56 118.16 121.26 1qf7 n LYS 213 Ca 0.00 -0.93 -0.12 0.00 -2.02 0.00 0.00 58.31 55.24 1qf7 n LYS 213 Cb 0.26 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 1qf7 n LYS 213 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1qf7 h PHE 214 N 2.26 -0.93 -0.71 2.13 3.57 -0.97 -0.54 116.94 121.75 1qf7 h PHE 214 Ca 0.00 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.65 1qf7 h PHE 214 Cb 0.53 0.41 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 1qf7 h PHE 214 CO 0.00 -0.43 0.47 -1.35 -2.23 0.00 0.00 178.31 174.77 1qf7 h PRO 215 N -0.50 0.49 0.03 6.41 0.11 -1.80 0.01 132.00 136.74 1qf7 h PRO 215 Ca 0.05 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 1qf7 h PRO 215 Cb 0.58 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1qf7 h PRO 215 CO -0.26 0.32 -0.02 -0.44 -0.21 0.00 0.00 178.00 177.40 1qf7 h ASP 216 N 0.50 -0.04 0.01 -2.05 3.32 -1.62 -0.20 116.42 116.34 1qf7 h ASP 216 Ca 0.34 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1qf7 h ASP 216 Cb 0.64 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1qf7 h ASP 216 CO -0.11 0.26 -0.00 0.15 -1.72 0.00 0.00 179.24 177.82 1qf7 h PHE 217 N -0.34 -0.01 -0.62 4.55 3.57 -0.74 -1.82 116.94 121.53 1qf7 h PHE 217 Ca -0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1qf7 h PHE 217 Cb 0.32 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1qf7 h PHE 217 CO 0.03 0.11 0.31 0.28 -2.23 0.00 0.00 178.31 176.80 1qf7 h VAL 218 N -0.13 1.21 -0.92 1.41 2.07 -0.99 -1.43 116.25 117.47 1qf7 h VAL 218 Ca -0.00 -0.58 0.10 0.00 0.82 0.00 0.00 66.70 67.04 1qf7 h VAL 218 Cb 0.12 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 1qf7 h VAL 218 CO 0.00 0.24 0.56 0.45 0.02 0.00 0.00 177.57 178.84 1qf7 h HIS 219 N 0.85 1.02 -0.42 1.57 3.86 -1.00 0.11 115.15 121.14 1qf7 h HIS 219 Ca 0.22 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.33 1qf7 h HIS 219 Cb 0.10 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 1qf7 h HIS 219 CO -0.00 0.43 -0.26 0.00 0.86 0.00 0.00 177.93 178.96 1qf7 h ALA 220 N 1.49 0.75 0.00 2.45 0.00 -0.58 -3.07 119.26 120.29 1qf7 h ALA 220 Ca 0.44 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1qf7 h ALA 220 Cb 0.39 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1qf7 h ALA 220 CO -0.24 0.66 -0.96 -0.24 0.00 0.00 0.00 179.25 178.47 1qf7 h VAL 221 N 0.75 1.60 -3.65 0.00 3.04 -0.72 -2.50 116.25 114.78 1qf7 h VAL 221 Ca 0.09 -3.27 -0.44 0.00 -1.01 0.00 0.00 66.70 62.07 1qf7 h VAL 221 Cb 0.81 2.79 0.18 0.00 -2.01 0.00 0.00 31.29 33.06 1qf7 h VAL 221 CO 0.07 0.91 0.13 -0.54 -1.01 0.00 0.00 177.57 177.13 1qf7 s LYS 222 N -2.74 -0.13 0.29 4.17 -0.14 0.32 -4.70 119.74 116.82 1qf7 s LYS 222 Ca 0.01 0.58 -0.30 0.00 -1.36 0.00 0.00 55.97 54.90 1qf7 s LYS 222 Cb 0.10 -1.67 -0.12 0.00 -1.68 0.00 0.00 37.83 34.45 1qf7 s LYS 222 CO 0.81 -3.12 1.43 -2.30 -0.76 0.00 0.00 175.35 171.41 1qf7 n PRO 223 N -4.46 2.27 -1.96 -1.68 -0.02 -1.25 -4.75 135.00 123.14 1qf7 n PRO 223 Ca 0.04 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.91 1qf7 n PRO 223 Cb 0.56 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 1qf7 n PRO 223 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1qf7 s GLU 224 N -0.97 4.24 0.48 -0.52 2.02 -0.15 -4.68 118.70 119.11 1qf7 s GLU 224 Ca 0.62 2.37 0.18 0.00 0.02 0.00 0.00 54.97 58.16 1qf7 s GLU 224 Cb -0.58 -3.08 1.17 0.00 0.10 0.00 0.00 34.13 31.75 1qf7 s GLU 224 CO 0.54 -0.45 2.04 -1.00 0.02 0.00 0.00 175.26 176.41 1qf7 h PRO 225 N 4.72 0.00 -0.14 0.39 0.13 -1.90 0.28 132.00 135.48 1qf7 h PRO 225 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1qf7 h PRO 225 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1qf7 h PRO 225 CO 0.76 0.15 -0.19 1.12 -0.23 0.00 0.00 178.00 179.61 1qf7 h HIS 226 N 0.00 0.46 -0.00 1.56 2.07 -1.97 -3.39 115.15 113.88 1qf7 h HIS 226 Ca -0.00 -0.15 0.00 0.00 -2.85 0.00 0.00 60.37 57.37 1qf7 h HIS 226 Cb 0.29 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.17 1qf7 h HIS 226 CO 0.00 0.80 0.00 -2.67 -3.07 0.00 0.00 177.93 172.99 1qf7 n TRP 227 N -4.51 0.00 -3.42 6.12 4.27 -1.20 -5.04 117.44 113.67 1qf7 n TRP 227 Ca -0.06 -0.01 -0.18 0.00 -3.89 0.00 0.00 57.50 53.35 1qf7 n TRP 227 Cb 0.40 -0.00 0.07 0.00 -1.36 0.00 0.00 31.31 30.42 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 0.04 -2.27 -2.97 -1.67 0.00 0.98 -4.99 120.51 109.64 1qf7 n ALA 228 Ca 0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1qf7 n ALA 228 Cb 0.03 -3.94 -0.12 0.00 0.00 0.00 0.00 19.45 15.41 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 -3.43 0.05 0.22 0.00 1.01 -1.24 -4.71 121.20 113.10 1qf7 s ILE 229 Ca 0.24 -0.38 0.05 0.00 0.00 0.00 0.00 60.65 60.56 1qf7 s ILE 229 Cb -0.04 -0.19 -0.03 0.00 0.01 0.00 0.00 42.46 42.21 1qf7 s ILE 229 CO 0.76 -0.21 0.26 -2.16 0.00 0.00 0.00 174.94 173.59 1qf7 s PRO 230 N -0.63 3.18 0.02 2.79 0.04 -1.26 -0.98 135.00 138.15 1qf7 s PRO 230 Ca -0.07 -0.86 -0.23 0.00 0.04 0.00 0.00 61.00 59.88 1qf7 s PRO 230 Cb -0.04 -2.75 -0.05 0.00 0.04 0.00 0.00 34.50 31.69 1qf7 s PRO 230 CO -0.00 0.44 0.70 -1.14 0.04 0.00 0.00 177.00 177.04 1qf7 s GLN 231 N -3.70 4.43 -1.51 4.56 2.00 -1.26 -3.97 119.66 120.21 1qf7 s GLN 231 Ca 0.33 0.94 0.00 0.00 -2.00 0.00 0.00 55.36 54.63 1qf7 s GLN 231 Cb -0.09 -3.36 0.00 0.00 0.80 0.00 0.00 33.01 30.36 1qf7 s GLN 231 CO 0.27 0.30 0.00 0.41 -0.50 0.00 0.00 175.29 175.77 1qf7 n GLY 232 N 2.44 -0.00 3.13 2.59 0.00 -1.26 -4.98 105.19 107.11 1qf7 n GLY 232 Ca -0.04 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 1qf7 n GLY 232 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qf7 s GLN 233 N -4.62 0.31 0.00 1.61 -0.21 -1.26 -4.45 119.66 111.04 1qf7 s GLN 233 Ca 0.00 0.29 0.25 0.00 0.02 0.00 0.00 55.36 55.92 1qf7 s GLN 233 Cb 0.00 0.15 0.34 0.00 1.00 0.00 0.00 33.01 34.50 1qf7 s GLN 233 CO 0.00 -0.04 1.34 -1.13 -2.12 0.00 0.00 175.29 173.33 1qf7 n SER 234 N 2.83 2.46 -4.28 5.90 3.41 -1.26 -4.75 113.62 117.93 1qf7 n SER 234 Ca -0.13 -1.77 -0.39 0.00 -0.26 0.00 0.00 58.87 56.31 1qf7 n SER 234 Cb 0.58 0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.60 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 0.80 3.53 -3.52 7.33 0.00 -1.26 -4.64 120.51 122.75 1qf7 n ALA 235 Ca 0.14 -3.59 -0.10 0.00 0.00 0.00 0.00 53.44 49.89 1qf7 n ALA 235 Cb 0.52 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 16.37 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 5.72 -0.38 0.21 0.00 -3.43 -1.26 -4.75 115.29 111.39 1qf7 s HIS 236 Ca 0.56 0.40 -0.13 0.00 -0.80 0.00 0.00 55.06 55.09 1qf7 s HIS 236 Cb 0.06 0.51 0.24 0.00 -1.43 0.00 0.00 32.58 31.95 1qf7 s HIS 236 CO 0.06 -0.51 1.63 -0.44 -2.00 0.00 0.00 174.74 173.49 1qf7 h ASP 237 N 2.23 -0.54 -0.73 7.38 5.19 -1.88 -2.96 116.42 125.11 1qf7 h ASP 237 Ca -0.22 0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.35 1qf7 h ASP 237 Cb 1.21 0.37 -0.04 0.00 0.18 0.00 0.00 39.33 41.06 1qf7 h ASP 237 CO 0.32 -0.20 0.37 0.71 -3.12 0.00 0.00 179.24 177.32 1qf7 h THR 238 N 0.01 1.23 0.13 0.35 1.35 -1.94 -0.33 112.91 113.71 1qf7 h THR 238 Ca 0.30 -0.63 -0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1qf7 h THR 238 Cb 0.46 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.14 1qf7 h THR 238 CO -0.62 0.27 -0.09 0.15 -0.25 0.00 0.00 175.52 174.97 1qf7 h PHE 239 N 1.05 -0.24 0.00 4.73 3.57 -1.27 -2.09 116.94 122.68 1qf7 h PHE 239 Ca 0.26 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 1qf7 h PHE 239 Cb 0.09 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1qf7 h PHE 239 CO 0.01 -0.15 -0.35 -1.49 -2.23 0.00 0.00 178.31 174.10 1qf7 h TRP 240 N -0.23 0.00 0.15 0.41 4.06 -1.47 -0.83 115.95 118.04 1qf7 h TRP 240 Ca -0.01 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1qf7 h TRP 240 Cb 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.36 1qf7 h TRP 240 CO -0.10 0.35 -0.07 0.22 -3.56 0.00 0.00 178.44 175.28 1qf7 h ASP 241 N 0.00 -0.17 0.14 -3.49 3.58 -0.97 -1.38 116.42 114.13 1qf7 h ASP 241 Ca -0.00 -0.14 0.01 0.00 0.42 0.00 0.00 57.03 57.31 1qf7 h ASP 241 Cb 1.01 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.09 1qf7 h ASP 241 CO 0.05 0.04 -0.15 0.22 -2.88 0.00 0.00 179.24 176.51 1qf7 h TYR 242 N -0.38 -0.40 -0.84 0.28 3.20 -1.09 -2.41 116.97 115.33 1qf7 h TYR 242 Ca -0.02 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.93 1qf7 h TYR 242 Cb 0.30 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.66 1qf7 h TYR 242 CO -0.01 -0.23 0.50 0.28 -1.64 0.00 0.00 178.16 177.06 1qf7 h VAL 243 N -0.33 0.97 0.00 1.81 2.07 -1.18 -0.78 116.25 118.82 1qf7 h VAL 243 Ca 0.01 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1qf7 h VAL 243 Cb 0.32 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1qf7 h VAL 243 CO -0.05 0.16 -0.09 0.77 0.02 0.00 0.00 177.57 178.38 1qf7 h SER 244 N 0.88 0.00 0.08 0.57 4.64 -0.77 -2.63 113.55 116.31 1qf7 h SER 244 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1qf7 h SER 244 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1qf7 h SER 244 CO -0.21 0.09 -1.02 0.18 -0.87 0.00 0.00 176.83 175.00 1qf7 n LEU 245 N -3.25 0.86 -3.51 5.97 4.77 -0.80 -4.68 117.00 116.36 1qf7 n LEU 245 Ca 0.00 -0.39 -0.27 0.00 -0.03 0.00 0.00 56.01 55.32 1qf7 n LEU 245 Cb 0.34 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 1qf7 n LEU 245 CO 0.29 0.21 -0.22 0.00 -1.33 0.00 0.00 177.39 176.34 1qf7 n GLN 246 N -1.58 0.81 0.33 3.23 1.13 -0.36 -4.99 117.38 115.95 1qf7 n GLN 246 Ca 0.04 -3.62 0.17 0.00 -1.94 0.00 0.00 57.00 51.65 1qf7 n GLN 246 Cb 0.35 -1.82 0.90 0.00 0.11 0.00 0.00 30.24 29.79 1qf7 n GLN 246 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1qf7 h PRO 247 N 5.31 0.00 -0.07 -1.09 0.13 -1.83 -0.80 132.00 133.64 1qf7 h PRO 247 Ca 0.21 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.36 1qf7 h PRO 247 Cb 0.85 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 1qf7 h PRO 247 CO 0.50 0.00 0.16 1.05 -0.23 0.00 0.00 178.00 179.48 1qf7 h GLU 248 N 0.00 0.00 0.00 0.86 4.11 -1.87 -1.14 114.58 116.54 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 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 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 -0.94 -1.06 1.35 -1.00 -3.36 112.91 107.90 1qf7 h THR 249 Ca 0.03 -0.75 0.12 0.00 -0.55 0.00 0.00 66.41 65.27 1qf7 h THR 249 Cb 0.35 1.74 -0.09 0.00 -1.73 0.00 0.00 68.15 68.43 1qf7 h THR 249 CO -0.00 0.00 0.57 -0.07 -0.25 0.00 0.00 175.52 175.77 1qf7 h LEU 250 N 0.00 0.80 0.16 3.87 3.38 -1.40 -1.70 115.31 120.42 1qf7 h LEU 250 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1qf7 h LEU 250 Cb 0.76 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1qf7 h LEU 250 CO 0.00 0.41 -0.14 -0.74 0.09 0.00 0.00 178.44 178.06 1qf7 h HIS 251 N 0.88 -0.36 -0.14 1.13 2.76 -1.80 -0.77 115.15 116.85 1qf7 h HIS 251 Ca 0.48 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.53 1qf7 h HIS 251 Cb 0.51 0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.60 1qf7 h HIS 251 CO -0.03 -0.21 -0.41 -0.97 -1.30 0.00 0.00 177.93 175.01 1qf7 h ASN 252 N -0.32 0.33 -0.63 3.26 -0.00 -1.71 -2.06 115.58 114.46 1qf7 h ASN 252 Ca -0.00 -0.14 0.09 0.00 -0.00 0.00 0.00 56.30 56.25 1qf7 h ASN 252 Cb 0.29 -0.09 -0.07 0.00 -0.00 0.00 0.00 38.32 38.45 1qf7 h ASN 252 CO -0.02 0.71 0.26 0.58 -0.00 0.00 0.00 177.43 178.96 1qf7 h VAL 253 N 0.26 0.81 -0.38 2.57 2.07 -1.08 -0.62 116.25 119.88 1qf7 h VAL 253 Ca 0.02 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.44 1qf7 h VAL 253 Cb 0.83 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1qf7 h VAL 253 CO 0.07 0.09 0.09 0.24 0.02 0.00 0.00 177.57 178.07 1qf7 h MET 254 N 0.47 0.21 -0.88 1.57 2.86 -0.42 -0.56 114.93 118.17 1qf7 h MET 254 Ca 0.31 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.92 1qf7 h MET 254 Cb 0.36 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 1qf7 h MET 254 CO -0.28 0.14 0.48 -1.49 1.06 0.00 0.00 176.91 176.82 1qf7 h TRP 255 N 0.22 1.21 -0.65 -0.22 4.06 -1.07 -2.11 115.95 117.39 1qf7 h TRP 255 Ca 0.18 -0.03 -0.05 0.00 2.06 0.00 0.00 58.89 61.05 1qf7 h TRP 255 Cb 0.21 -0.39 -0.03 0.00 -1.00 0.00 0.00 29.16 27.95 1qf7 h TRP 255 CO -0.19 0.84 0.22 0.00 -3.56 0.00 0.00 178.44 175.76 1qf7 h ALA 256 N 1.26 0.85 0.00 1.49 0.00 -0.64 -2.38 119.26 119.84 1qf7 h ALA 256 Ca 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1qf7 h ALA 256 Cb 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1qf7 h ALA 256 CO -0.05 0.51 0.00 0.52 0.00 0.00 0.00 179.25 180.23 1qf7 h MET 257 N 0.94 0.00 0.00 0.00 2.86 -0.93 -3.31 114.93 114.48 1qf7 h MET 257 Ca 0.21 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.50 1qf7 h MET 257 Cb 0.27 0.00 0.16 0.00 0.06 0.00 0.00 31.60 32.09 1qf7 h MET 257 CO -0.01 0.00 0.23 -1.13 1.06 0.00 0.00 176.91 177.06 1qf7 n SER 258 N -3.07 -0.91 0.00 1.22 3.41 -0.81 -4.08 113.62 109.39 1qf7 n SER 258 Ca 0.04 -1.25 0.07 0.00 -0.26 0.00 0.00 58.87 57.47 1qf7 n SER 258 Cb 0.49 -0.87 0.35 0.00 -0.26 0.00 0.00 64.21 63.92 1qf7 n SER 258 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1qf7 n ASP 259 N -4.17 0.00 0.27 4.04 8.00 -1.26 -1.55 116.55 121.87 1qf7 n ASP 259 Ca 0.14 0.14 0.12 0.00 0.71 0.00 0.00 54.79 55.90 1qf7 n ASP 259 Cb 0.50 -0.32 0.75 0.00 -0.02 0.00 0.00 41.12 42.03 1qf7 n ASP 259 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1qf7 h ARG 260 N 0.00 0.00 0.00 -1.24 2.47 -1.88 -1.62 114.38 112.11 1qf7 h ARG 260 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1qf7 h ARG 260 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 1qf7 h ARG 260 CO 0.00 0.10 0.00 0.41 0.56 0.00 0.00 179.97 181.04 1qf7 n GLY 261 N -0.87 -1.30 2.29 0.04 0.00 -0.60 -4.15 105.19 100.61 1qf7 n GLY 261 Ca -0.02 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.58 -0.12 -1.27 -0.61 -5.35 -0.61 -2.16 119.36 107.67 1qf7 n ILE 262 Ca 0.05 -4.18 -0.33 0.00 -0.27 0.00 0.00 62.75 58.02 1qf7 n ILE 262 Cb 0.27 -1.95 0.11 0.00 -1.74 0.00 0.00 39.64 36.33 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 -1.24 1.91 0.17 6.28 0.04 -1.26 -0.77 135.00 140.13 1qf7 s PRO 263 Ca 0.35 1.66 0.04 0.00 0.04 0.00 0.00 61.00 63.10 1qf7 s PRO 263 Cb 0.14 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.85 1qf7 s PRO 263 CO -0.11 -1.98 1.38 -0.09 0.04 0.00 0.00 177.00 176.24 1qf7 h ARG 264 N -0.70 0.13 -2.49 4.56 9.65 -1.56 -3.39 114.38 120.58 1qf7 h ARG 264 Ca -0.46 -0.15 0.01 0.00 -1.10 0.00 0.00 59.98 58.28 1qf7 h ARG 264 Cb 1.28 0.04 -0.15 0.00 -1.39 0.00 0.00 29.97 29.76 1qf7 h ARG 264 CO 0.48 0.92 0.30 0.45 2.80 0.00 0.00 179.97 184.92 1qf7 s SER 265 N -6.88 -0.53 0.60 -3.80 0.15 -1.26 -4.93 113.70 97.05 1qf7 s SER 265 Ca -0.02 0.20 0.36 0.00 0.70 0.00 0.00 55.95 57.19 1qf7 s SER 265 Cb 0.10 0.51 1.89 0.00 -1.71 0.00 0.00 66.02 66.81 1qf7 s SER 265 CO 0.82 -0.76 2.21 1.88 1.20 0.00 0.00 173.24 178.59 1qf7 h TYR 266 N 2.28 0.00 0.00 3.44 0.05 -1.91 -1.35 116.97 119.48 1qf7 h TYR 266 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.50 1qf7 h TYR 266 Cb 1.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.98 1qf7 h TYR 266 CO 0.28 0.03 0.00 0.00 -1.05 0.00 0.00 178.16 177.42 1qf7 h ARG 267 N 0.00 0.00 -1.15 4.88 3.08 -1.96 -3.35 114.38 115.88 1qf7 h ARG 267 Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 1qf7 h ARG 267 Cb 0.18 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 29.81 1qf7 h ARG 267 CO 0.00 0.00 -0.81 0.25 -1.07 0.00 0.00 179.97 178.35 1qf7 n THR 268 N -2.77 2.31 -4.13 2.04 -2.24 -0.51 -4.18 114.28 104.81 1qf7 n THR 268 Ca 0.03 -4.47 -0.11 0.00 -2.27 0.00 0.00 64.05 57.23 1qf7 n THR 268 Cb 0.40 -1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 67.52 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 -3.55 0.71 0.65 -0.78 0.23 -1.25 -1.37 119.30 113.95 1qf7 s MET 269 Ca 0.47 -1.16 -0.04 0.00 -1.03 0.00 0.00 55.69 53.93 1qf7 s MET 269 Cb 0.40 -0.16 0.05 0.00 -1.53 0.00 0.00 34.83 33.60 1qf7 s MET 269 CO -0.08 -0.02 0.93 -1.21 -2.03 0.00 0.00 175.02 172.61 1qf7 s GLU 270 N -3.23 2.31 0.04 3.16 2.02 -1.26 -4.19 118.70 117.54 1qf7 s GLU 270 Ca 0.05 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1qf7 s GLU 270 Cb 0.02 -2.28 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 1qf7 s GLU 270 CO -0.04 -1.06 -0.04 0.20 0.02 0.00 0.00 175.26 174.34 1qf7 s GLY 271 N -4.49 0.38 -0.11 -1.39 0.00 -0.97 -4.18 107.32 96.57 1qf7 s GLY 271 Ca 0.59 -0.83 -0.16 0.00 0.00 0.00 0.00 44.72 44.32 1qf7 s GLY 271 CO 0.43 -0.91 0.41 -1.36 0.00 0.00 0.00 173.10 171.66 1qf7 s PHE 272 N -2.25 -0.40 -0.34 1.90 0.40 0.07 -1.31 117.98 116.06 1qf7 s PHE 272 Ca -0.07 0.88 0.26 0.00 -0.60 0.00 0.00 56.93 57.40 1qf7 s PHE 272 Cb -0.04 0.16 0.66 0.00 0.51 0.00 0.00 43.02 44.31 1qf7 s PHE 272 CO -0.03 -0.30 1.72 0.78 0.70 0.00 0.00 175.22 178.09 1qf7 h GLY 273 N 4.82 0.00 0.00 4.36 0.00 -1.66 -1.77 103.07 108.82 1qf7 h GLY 273 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1qf7 h GLY 273 CO 0.30 0.00 0.00 1.39 0.00 0.00 0.00 176.54 178.23 1qf7 n ILE 274 N -2.97 0.00 -1.52 2.60 5.41 -1.26 -4.84 119.36 116.78 1qf7 n ILE 274 Ca 0.03 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.46 1qf7 n ILE 274 Cb 0.45 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.45 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 2.65 -0.22 1.39 3.76 -1.26 -4.91 115.29 116.70 1qf7 s HIS 275 Ca 0.00 1.54 -0.29 0.00 -0.15 0.00 0.00 55.06 56.16 1qf7 s HIS 275 Cb 0.00 -3.08 0.00 0.00 1.11 0.00 0.00 32.58 30.61 1qf7 s HIS 275 CO 0.00 -1.68 1.10 0.99 -0.85 0.00 0.00 174.74 174.30 1qf7 s THR 276 N -2.66 4.57 0.00 1.30 2.01 -1.26 -4.57 115.64 115.03 1qf7 s THR 276 Ca 0.63 1.89 0.00 0.00 0.31 0.00 0.00 61.69 64.53 1qf7 s THR 276 Cb -0.18 -4.24 0.00 0.00 0.01 0.00 0.00 72.50 68.09 1qf7 s THR 276 CO 0.49 -0.19 0.00 0.49 -0.69 0.00 0.00 174.62 174.73 1qf7 n PHE 277 N 6.43 -0.56 -4.18 4.92 3.01 0.45 -4.16 117.46 123.38 1qf7 n PHE 277 Ca 0.12 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.41 1qf7 n PHE 277 Cb 0.46 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.81 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 -0.04 0.76 -0.11 -1.08 0.52 -0.01 -1.65 118.95 117.34 1qf7 s ARG 278 Ca 0.00 -0.85 -0.01 0.00 -0.52 0.00 0.00 55.73 54.34 1qf7 s ARG 278 Cb 0.00 -0.71 -0.03 0.00 0.52 0.00 0.00 34.95 34.73 1qf7 s ARG 278 CO 0.00 0.16 -0.05 -0.51 0.02 0.00 0.00 175.30 174.92 1qf7 s LEU 279 N -1.55 3.22 -0.12 2.53 1.43 -0.42 -0.91 118.68 122.86 1qf7 s LEU 279 Ca -0.03 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1qf7 s LEU 279 Cb -0.09 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.40 1qf7 s LEU 279 CO 0.02 0.27 -0.17 -0.63 0.23 0.00 0.00 176.35 176.07 1qf7 s ILE 280 N -0.25 1.64 0.46 -0.59 -1.09 -0.05 -1.63 121.20 119.69 1qf7 s ILE 280 Ca 0.04 -0.73 0.05 0.00 -2.23 0.00 0.00 60.65 57.79 1qf7 s ILE 280 Cb -0.13 -1.49 0.08 0.00 -1.58 0.00 0.00 42.46 39.35 1qf7 s ILE 280 CO 0.02 0.47 0.64 -0.46 -1.23 0.00 0.00 174.94 174.38 1qf7 n ASN 281 N 4.21 1.42 0.27 3.58 0.23 -0.89 -1.36 115.26 122.71 1qf7 n ASN 281 Ca -0.19 -2.07 0.17 0.00 -0.53 0.00 0.00 54.58 51.96 1qf7 n ASN 281 Cb 0.51 -0.36 0.62 0.00 -2.08 0.00 0.00 39.78 38.47 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 0.00 1.00 -0.01 -2.53 0.00 -1.88 -0.40 119.26 115.44 1qf7 h ALA 282 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1qf7 h ALA 282 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1qf7 h ALA 282 CO 0.28 0.00 -0.14 0.39 0.00 0.00 0.00 179.25 179.78 1qf7 n GLU 283 N -3.06 0.86 -0.24 0.00 4.71 -1.26 -4.73 120.64 116.92 1qf7 n GLU 283 Ca 0.01 -0.39 0.00 0.00 -0.01 0.00 0.00 57.16 56.77 1qf7 n GLU 283 Cb 0.33 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 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 1.27 0.72 3.73 0.62 0.00 -0.16 -5.05 105.19 106.33 1qf7 n GLY 284 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.76 4.52 -0.15 1.61 2.20 -1.26 -4.77 119.74 121.13 1qf7 s LYS 285 Ca 0.00 1.78 -0.10 0.00 -0.36 0.00 0.00 55.97 57.29 1qf7 s LYS 285 Cb 0.00 -3.28 -0.05 0.00 -1.51 0.00 0.00 37.83 32.99 1qf7 s LYS 285 CO 0.00 -0.06 0.18 0.00 -0.36 0.00 0.00 175.35 175.11 1qf7 s ALA 286 N 0.13 3.74 -0.14 3.13 0.00 -1.26 -2.10 121.76 125.26 1qf7 s ALA 286 Ca 0.53 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.90 1qf7 s ALA 286 Cb -0.30 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1qf7 s ALA 286 CO 0.34 0.33 -0.19 0.99 0.00 0.00 0.00 175.76 177.23 1qf7 s THR 287 N -0.19 2.31 0.39 0.00 2.01 -0.65 -4.24 115.64 115.28 1qf7 s THR 287 Ca 0.13 -0.89 -0.26 0.00 0.31 0.00 0.00 61.69 60.97 1qf7 s THR 287 Cb -0.12 -1.95 -0.09 0.00 0.01 0.00 0.00 72.50 70.35 1qf7 s THR 287 CO 0.02 0.54 1.30 -0.36 -0.69 0.00 0.00 174.62 175.42 1qf7 s PHE 288 N 0.79 2.86 -0.00 4.92 0.08 -0.39 -1.30 117.98 124.94 1qf7 s PHE 288 Ca -0.07 1.42 0.00 0.00 0.12 0.00 0.00 56.93 58.40 1qf7 s PHE 288 Cb -0.16 -3.66 0.00 0.00 -0.57 0.00 0.00 43.02 38.64 1qf7 s PHE 288 CO -0.01 -2.02 -0.00 0.54 -0.10 0.00 0.00 175.22 173.64 1qf7 s VAL 289 N -1.25 0.03 -0.13 -0.44 0.11 -0.66 -1.50 120.40 116.56 1qf7 s VAL 289 Ca 0.56 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.62 1qf7 s VAL 289 Cb -0.38 -0.05 -0.01 0.00 -1.53 0.00 0.00 36.38 34.42 1qf7 s VAL 289 CO 0.49 0.02 -0.16 -0.13 -3.33 0.00 0.00 175.10 171.98 1qf7 s ARG 290 N 0.09 3.25 0.10 1.54 0.52 -0.68 -0.41 118.95 123.36 1qf7 s ARG 290 Ca -0.01 -0.75 -0.23 0.00 -0.52 0.00 0.00 55.73 54.22 1qf7 s ARG 290 Cb -0.01 -2.55 -0.07 0.00 0.52 0.00 0.00 34.95 32.84 1qf7 s ARG 290 CO -0.00 0.14 0.70 -0.06 0.02 0.00 0.00 175.30 176.09 1qf7 s PHE 291 N 0.50 3.82 0.03 -0.53 0.08 -1.26 -1.10 117.98 119.52 1qf7 s PHE 291 Ca -0.11 1.45 0.03 0.00 0.12 0.00 0.00 56.93 58.42 1qf7 s PHE 291 Cb -0.16 -2.69 -0.02 0.00 -0.57 0.00 0.00 43.02 39.58 1qf7 s PHE 291 CO 0.05 0.46 -0.08 -1.01 -0.10 0.00 0.00 175.22 174.54 1qf7 s HIS 292 N -0.79 0.74 -0.14 0.36 3.76 -0.29 -1.83 115.29 117.09 1qf7 s HIS 292 Ca 0.34 -0.36 0.02 0.00 -0.15 0.00 0.00 55.06 54.91 1qf7 s HIS 292 Cb -0.21 -0.44 0.01 0.00 1.11 0.00 0.00 32.58 33.05 1qf7 s HIS 292 CO 0.23 -0.04 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.30 1qf7 s TRP 293 N -0.93 2.55 -0.20 1.40 0.52 -0.42 -0.07 118.94 121.78 1qf7 s TRP 293 Ca -0.04 -1.30 -0.07 0.00 0.02 0.00 0.00 56.10 54.70 1qf7 s TRP 293 Cb -0.07 -1.75 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 1qf7 s TRP 293 CO 0.00 -0.61 0.06 0.21 0.02 0.00 0.00 176.95 176.64 1qf7 s LYS 294 N 0.90 3.86 -0.28 4.98 2.20 0.55 -2.28 119.74 129.68 1qf7 s LYS 294 Ca -0.06 -0.39 -0.29 0.00 -0.36 0.00 0.00 55.97 54.88 1qf7 s LYS 294 Cb -0.15 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 1qf7 s LYS 294 CO -0.03 0.12 1.75 -1.25 -0.36 0.00 0.00 175.35 175.58 1qf7 s PRO 295 N 0.79 3.51 0.06 4.03 0.04 -1.26 -0.42 135.00 141.75 1qf7 s PRO 295 Ca 0.03 1.55 0.18 0.00 0.04 0.00 0.00 61.00 62.80 1qf7 s PRO 295 Cb -0.14 -4.15 0.75 0.00 0.04 0.00 0.00 34.50 31.01 1qf7 s PRO 295 CO 0.02 -1.65 1.56 1.28 0.04 0.00 0.00 177.00 178.26 1qf7 n LEU 296 N 9.61 0.15 -0.10 -3.56 4.77 -0.08 -1.76 117.00 126.03 1qf7 n LEU 296 Ca 0.22 0.53 0.16 0.00 -0.03 0.00 0.00 56.01 56.89 1qf7 n LEU 296 Cb 0.46 -0.51 0.86 0.00 -2.33 0.00 0.00 43.42 41.90 1qf7 n LEU 296 CO 0.67 -0.29 1.06 0.00 -1.33 0.00 0.00 177.39 177.50 1qf7 n ALA 297 N -1.56 2.67 0.00 -1.18 0.00 -1.26 -4.92 120.51 114.25 1qf7 n ALA 297 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1qf7 n ALA 297 Cb 0.20 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 1.03 -0.23 3.74 0.00 0.00 -0.72 -4.01 105.19 105.00 1qf7 n GLY 298 Ca 0.23 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 1qf7 n GLY 298 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qf7 s LYS 299 N -2.27 4.31 -0.26 1.61 1.02 -1.26 -4.28 119.74 118.60 1qf7 s LYS 299 Ca 0.00 0.57 -0.22 0.00 0.02 0.00 0.00 55.97 56.34 1qf7 s LYS 299 Cb 0.00 -3.40 0.07 0.00 -0.52 0.00 0.00 37.83 33.99 1qf7 s LYS 299 CO 0.00 0.25 0.68 0.00 -0.92 0.00 0.00 175.35 175.36 1qf7 s ALA 300 N 0.29 -1.73 0.28 5.17 0.00 -0.47 -4.89 121.76 120.41 1qf7 s ALA 300 Ca 0.28 2.06 0.05 0.00 0.00 0.00 0.00 51.96 54.35 1qf7 s ALA 300 Cb -0.16 -1.20 -0.06 0.00 0.00 0.00 0.00 23.12 21.70 1qf7 s ALA 300 CO 0.13 -0.34 -0.02 -1.12 0.00 0.00 0.00 175.76 174.41 1qf7 s SER 301 N 0.71 2.46 0.95 0.00 0.01 -1.26 -1.56 113.70 115.00 1qf7 s SER 301 Ca -0.03 -1.24 -0.12 0.00 1.31 0.00 0.00 55.95 55.88 1qf7 s SER 301 Cb -0.05 -0.11 0.18 0.00 0.21 0.00 0.00 66.02 66.25 1qf7 s SER 301 CO -0.05 -0.44 1.08 0.18 0.41 0.00 0.00 173.24 174.42 1qf7 n LEU 302 N -0.57 0.00 -4.58 2.44 4.77 0.05 -4.67 117.00 114.44 1qf7 n LEU 302 Ca -0.05 -1.32 -0.29 0.00 -0.03 0.00 0.00 56.01 54.32 1qf7 n LEU 302 Cb 0.64 -0.81 -0.10 0.00 -2.33 0.00 0.00 43.42 40.82 1qf7 n LEU 302 CO 0.40 -1.24 -0.41 0.68 -1.33 0.00 0.00 177.39 175.48 1qf7 s VAL 303 N -3.32 3.37 0.18 4.08 -7.23 -1.26 -4.91 120.40 111.30 1qf7 s VAL 303 Ca 0.63 -1.34 -0.16 0.00 -1.81 0.00 0.00 61.98 59.30 1qf7 s VAL 303 Cb -0.02 -2.60 0.13 0.00 0.56 0.00 0.00 36.38 34.45 1qf7 s VAL 303 CO 0.44 0.06 1.66 -0.25 -0.31 0.00 0.00 175.10 176.70 1qf7 h TRP 304 N 3.44 -0.24 -0.53 2.82 2.91 -1.97 -1.76 115.95 120.61 1qf7 h TRP 304 Ca -0.48 0.04 0.06 0.00 1.13 0.00 0.00 58.89 59.64 1qf7 h TRP 304 Cb 1.17 0.18 -0.06 0.00 -0.51 0.00 0.00 29.16 29.95 1qf7 h TRP 304 CO 0.61 -0.20 0.22 0.22 -1.03 0.00 0.00 178.44 178.27 1qf7 h ASP 305 N -0.00 0.27 -0.05 2.65 3.58 -1.99 0.12 116.42 121.00 1qf7 h ASP 305 Ca 0.22 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.72 1qf7 h ASP 305 Cb 0.33 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.39 1qf7 h ASP 305 CO -0.47 0.18 0.03 -0.08 -2.88 0.00 0.00 179.24 176.03 1qf7 h GLU 306 N 0.43 0.07 0.25 0.28 4.81 -1.89 -0.92 114.58 117.61 1qf7 h GLU 306 Ca 0.25 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1qf7 h GLU 306 Cb 0.23 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1qf7 h GLU 306 CO -0.22 0.08 -0.13 0.00 -0.73 0.00 0.00 179.01 178.01 1qf7 h ALA 307 N 0.99 -0.35 -0.38 2.92 0.00 -0.90 -0.10 119.26 121.44 1qf7 h ALA 307 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1qf7 h ALA 307 Cb 0.03 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1qf7 h ALA 307 CO -0.00 -0.70 0.20 0.37 0.00 0.00 0.00 179.25 179.12 1qf7 h GLN 308 N -0.35 0.54 -0.52 0.00 4.15 -0.74 -2.12 115.11 116.08 1qf7 h GLN 308 Ca -0.03 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 1qf7 h GLN 308 Cb 0.28 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 1qf7 h GLN 308 CO 0.05 0.46 0.27 -0.22 -1.93 0.00 0.00 178.83 177.45 1qf7 h LYS 309 N 0.49 0.72 0.00 1.69 3.64 -0.98 -2.44 116.57 119.68 1qf7 h LYS 309 Ca 0.13 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1qf7 h LYS 309 Cb 0.08 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1qf7 h LYS 309 CO -0.02 0.54 -0.30 1.25 -2.27 0.00 0.00 179.45 178.66 1qf7 h LEU 310 N 0.72 0.00 -1.82 5.20 5.85 -0.51 -0.57 115.31 124.18 1qf7 h LEU 310 Ca 0.18 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1qf7 h LEU 310 Cb 0.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1qf7 h LEU 310 CO -0.03 0.30 0.14 0.71 -0.34 0.00 0.00 178.44 179.22 1qf7 h THR 311 N 0.00 1.03 0.08 1.05 1.35 -0.88 0.89 112.91 116.42 1qf7 h THR 311 Ca -0.00 -0.08 -0.31 0.00 -0.55 0.00 0.00 66.41 65.46 1qf7 h THR 311 Cb 0.53 0.77 -0.02 0.00 -1.73 0.00 0.00 68.15 67.69 1qf7 h THR 311 CO 0.04 0.04 -1.71 0.61 -0.25 0.00 0.00 175.52 174.25 1qf7 n GLY 312 N -1.52 -0.67 0.25 5.82 0.00 -0.66 -3.16 105.19 105.26 1qf7 n GLY 312 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 1qf7 n GLY 312 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1qf7 h ARG 313 N -0.35 0.68 -1.57 1.61 2.47 -0.88 -3.40 114.38 112.95 1qf7 h ARG 313 Ca -0.40 -0.30 -0.28 0.00 -1.26 0.00 0.00 59.98 57.75 1qf7 h ARG 313 Cb 1.75 -0.02 -0.26 0.00 -1.65 0.00 0.00 29.97 29.80 1qf7 h ARG 313 CO -0.03 0.89 -0.63 0.34 0.56 0.00 0.00 179.97 181.11 1qf7 s ASP 314 N -6.80 -0.02 0.09 7.04 2.15 0.28 -5.01 116.67 114.41 1qf7 s ASP 314 Ca -0.08 -1.63 0.12 0.00 0.43 0.00 0.00 52.55 51.38 1qf7 s ASP 314 Cb 0.13 1.05 0.54 0.00 -0.30 0.00 0.00 42.92 44.34 1qf7 s ASP 314 CO 0.83 -0.18 1.37 -0.81 -0.17 0.00 0.00 175.17 176.21 1qf7 n PRO 315 N 3.81 0.05 -0.63 4.34 -0.04 -1.19 -2.44 135.00 138.90 1qf7 n PRO 315 Ca 0.15 0.43 0.03 0.00 -0.04 0.00 0.00 63.50 64.08 1qf7 n PRO 315 Cb 0.51 -1.64 0.26 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.74 3.78 -0.17 3.54 8.00 -1.26 -0.68 116.55 128.01 1qf7 n ASP 316 Ca 0.01 -3.22 -0.02 0.00 0.71 0.00 0.00 54.79 52.27 1qf7 n ASP 316 Cb 0.09 -0.60 0.08 0.00 -0.02 0.00 0.00 41.12 40.67 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 1.81 0.35 -0.17 1.24 3.57 -1.83 -0.04 116.94 121.87 1qf7 h PHE 317 Ca 0.09 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.42 1qf7 h PHE 317 Cb 1.66 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 40.33 1qf7 h PHE 317 CO 0.76 0.11 -0.66 0.45 -2.23 0.00 0.00 178.31 176.73 1qf7 h HIS 318 N 0.38 1.00 -0.81 0.41 3.86 -1.88 -1.04 115.15 117.07 1qf7 h HIS 318 Ca 0.26 -0.42 0.01 0.00 -1.16 0.00 0.00 60.37 59.06 1qf7 h HIS 318 Cb 0.28 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.55 1qf7 h HIS 318 CO -0.16 1.24 0.54 -0.09 0.86 0.00 0.00 177.93 180.32 1qf7 h ARG 319 N 0.48 1.06 -0.04 2.45 2.43 -1.83 -1.29 114.38 117.64 1qf7 h ARG 319 Ca -0.03 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1qf7 h ARG 319 Cb 1.29 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1qf7 h ARG 319 CO 0.14 0.70 -0.05 -0.09 -1.51 0.00 0.00 179.97 179.16 1qf7 h ARG 320 N 1.09 0.10 -0.14 0.20 2.43 -0.96 -2.43 114.38 114.67 1qf7 h ARG 320 Ca 0.30 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 1qf7 h ARG 320 Cb -0.12 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1qf7 h ARG 320 CO -0.07 0.60 -0.28 1.05 -1.51 0.00 0.00 179.97 179.77 1qf7 h GLU 321 N -0.40 0.25 0.08 0.20 -0.00 -1.14 -0.40 114.58 113.17 1qf7 h GLU 321 Ca 0.00 -0.09 -0.00 0.00 -0.00 0.00 0.00 59.36 59.27 1qf7 h GLU 321 Cb 0.59 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.33 1qf7 h GLU 321 CO 0.01 0.52 -0.04 1.25 -0.00 0.00 0.00 179.01 180.75 1qf7 h LEU 322 N 0.23 -0.09 -0.24 3.06 5.85 -1.21 -1.68 115.31 121.22 1qf7 h LEU 322 Ca 0.03 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.51 1qf7 h LEU 322 Cb 0.61 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1qf7 h LEU 322 CO 0.04 0.24 0.04 -0.25 -0.34 0.00 0.00 178.44 178.17 1qf7 h TRP 323 N -0.43 0.07 0.00 1.25 2.91 -1.19 -1.83 115.95 116.73 1qf7 h TRP 323 Ca -0.01 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 59.96 1qf7 h TRP 323 Cb 0.37 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.01 1qf7 h TRP 323 CO 0.03 0.02 -0.29 0.93 -1.03 0.00 0.00 178.44 178.09 1qf7 h GLU 324 N 0.14 0.00 -0.27 2.65 5.08 -1.12 -0.85 114.58 120.21 1qf7 h GLU 324 Ca 0.11 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1qf7 h GLU 324 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1qf7 h GLU 324 CO -0.15 0.29 -0.06 0.00 -1.00 0.00 0.00 179.01 178.10 1qf7 h ALA 325 N 1.71 0.37 -0.43 3.43 0.00 -0.92 0.32 119.26 123.74 1qf7 h ALA 325 Ca -0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1qf7 h ALA 325 Cb 0.54 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1qf7 h ALA 325 CO 0.04 0.17 -0.10 0.82 0.00 0.00 0.00 179.25 180.18 1qf7 h ILE 326 N 0.27 1.26 0.00 0.00 2.04 -0.90 0.16 117.51 120.33 1qf7 h ILE 326 Ca 0.07 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 1qf7 h ILE 326 Cb 0.52 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1qf7 h ILE 326 CO 0.02 0.40 -0.22 -0.33 0.00 0.00 0.00 178.15 178.02 1qf7 h GLU 327 N 0.70 0.00 -0.01 2.37 5.08 -0.92 -2.49 114.58 119.32 1qf7 h GLU 327 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1qf7 h GLU 327 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1qf7 h GLU 327 CO 0.04 0.22 -0.13 0.00 -1.00 0.00 0.00 179.01 178.14 1qf7 n ALA 328 N -2.35 2.83 -0.69 3.43 0.00 0.08 -2.64 120.51 121.16 1qf7 n ALA 328 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1qf7 n ALA 328 Cb 0.32 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.26 0.76 2.42 0.00 0.00 -0.94 -4.63 105.19 104.06 1qf7 n GLY 329 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 7.87 -4.67 1.61 8.00 -0.01 -4.98 116.55 124.36 1qf7 n ASP 330 Ca 0.00 -2.99 -0.48 0.00 0.71 0.00 0.00 54.79 52.02 1qf7 n ASP 330 Cb 0.00 -1.39 -0.05 0.00 -0.02 0.00 0.00 41.12 39.66 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 2.05 2.25 -1.75 1.24 3.72 -1.26 -4.40 117.46 119.31 1qf7 n PHE 331 Ca 0.63 0.16 -0.42 0.00 -0.05 0.00 0.00 57.45 57.77 1qf7 n PHE 331 Cb 0.32 -2.59 -0.03 0.00 -0.94 0.00 0.00 39.48 36.24 1qf7 n PHE 331 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1qf7 s PRO 332 N 2.79 4.14 -0.04 -1.08 0.02 -1.23 -4.78 135.00 134.82 1qf7 s PRO 332 Ca 0.88 2.58 0.04 0.00 0.02 0.00 0.00 61.00 64.52 1qf7 s PRO 332 Cb -0.73 -3.24 -0.00 0.00 0.02 0.00 0.00 34.50 30.54 1qf7 s PRO 332 CO 0.48 -0.77 -0.16 -1.21 -0.33 0.00 0.00 177.00 175.01 1qf7 s GLU 333 N 1.66 1.64 -0.01 5.54 2.02 -1.26 -0.68 118.70 127.61 1qf7 s GLU 333 Ca 0.76 -0.58 0.02 0.00 0.02 0.00 0.00 54.97 55.19 1qf7 s GLU 333 Cb -0.48 -1.45 -0.00 0.00 0.10 0.00 0.00 34.13 32.29 1qf7 s GLU 333 CO 0.33 0.26 -0.07 0.71 0.02 0.00 0.00 175.26 176.51 1qf7 s TYR 334 N -0.03 0.67 -0.25 1.61 1.51 -0.53 -0.91 117.35 119.41 1qf7 s TYR 334 Ca -0.02 -0.14 -0.09 0.00 -1.01 0.00 0.00 57.07 55.81 1qf7 s TYR 334 Cb -0.10 -0.46 -0.04 0.00 -0.11 0.00 0.00 41.96 41.25 1qf7 s TYR 334 CO 0.01 -0.04 0.13 -2.00 -1.11 0.00 0.00 175.55 172.55 1qf7 s GLU 335 N -0.02 3.88 0.18 -0.62 2.12 0.44 -0.99 118.70 123.69 1qf7 s GLU 335 Ca 0.01 -0.36 -0.30 0.00 0.36 0.00 0.00 54.97 54.67 1qf7 s GLU 335 Cb -0.05 -3.49 -0.09 0.00 0.26 0.00 0.00 34.13 30.77 1qf7 s GLU 335 CO -0.00 -0.10 1.33 -1.17 -0.54 0.00 0.00 175.26 174.78 1qf7 s LEU 336 N 1.46 4.40 0.01 2.70 2.96 0.19 -0.33 118.68 130.08 1qf7 s LEU 336 Ca 0.06 2.38 0.01 0.00 -0.22 0.00 0.00 54.13 56.37 1qf7 s LEU 336 Cb -0.15 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 1qf7 s LEU 336 CO 0.07 -0.56 -0.04 -0.83 -1.32 0.00 0.00 176.35 173.67 1qf7 s GLY 337 N 0.52 0.25 -0.05 7.98 0.00 0.89 -0.17 107.32 116.74 1qf7 s GLY 337 Ca 0.58 -0.39 0.06 0.00 0.00 0.00 0.00 44.72 44.98 1qf7 s GLY 337 CO 0.36 -0.41 -0.24 -1.36 0.00 0.00 0.00 173.10 171.45 1qf7 s PHE 338 N -0.74 2.44 -0.30 1.90 0.08 -0.32 -1.14 117.98 119.90 1qf7 s PHE 338 Ca -0.06 -0.55 -0.13 0.00 0.12 0.00 0.00 56.93 56.30 1qf7 s PHE 338 Cb -0.05 -1.58 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 1qf7 s PHE 338 CO -0.00 -0.10 0.29 -0.65 -0.10 0.00 0.00 175.22 174.66 1qf7 s GLN 339 N -0.37 3.79 -0.18 0.44 -0.21 -0.26 -0.58 119.66 122.28 1qf7 s GLN 339 Ca 0.03 -0.31 -0.03 0.00 0.02 0.00 0.00 55.36 55.07 1qf7 s GLN 339 Cb -0.12 -3.72 -0.02 0.00 1.00 0.00 0.00 33.01 30.15 1qf7 s GLN 339 CO 0.02 -0.34 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.28 1qf7 s LEU 340 N 1.91 3.05 -0.13 2.90 1.43 -1.26 -1.69 118.68 124.89 1qf7 s LEU 340 Ca 0.10 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1qf7 s LEU 340 Cb -0.16 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.34 1qf7 s LEU 340 CO 0.11 0.09 -0.08 -0.63 0.23 0.00 0.00 176.35 176.07 1qf7 s ILE 341 N 0.84 1.08 0.60 -0.59 1.01 -0.56 -4.99 121.20 118.58 1qf7 s ILE 341 Ca -0.01 -0.38 -0.19 0.00 0.00 0.00 0.00 60.65 60.07 1qf7 s ILE 341 Cb -0.15 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1qf7 s ILE 341 CO 0.01 0.33 1.28 -2.16 0.00 0.00 0.00 174.94 174.40 1qf7 s PRO 342 N 1.68 2.88 0.47 2.79 0.04 -1.26 -1.27 135.00 140.33 1qf7 s PRO 342 Ca 0.04 2.02 0.16 0.00 0.04 0.00 0.00 61.00 63.26 1qf7 s PRO 342 Cb -0.13 -2.00 1.13 0.00 0.04 0.00 0.00 34.50 33.54 1qf7 s PRO 342 CO -0.08 -1.33 2.03 1.49 0.04 0.00 0.00 177.00 179.15 1qf7 h GLU 343 N 0.95 0.26 0.00 4.56 4.81 -1.95 0.07 114.58 123.27 1qf7 h GLU 343 Ca -0.51 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1qf7 h GLU 343 Cb 1.31 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1qf7 h GLU 343 CO 0.55 0.17 -0.01 0.93 -0.73 0.00 0.00 179.01 179.92 1qf7 h GLU 344 N 0.26 0.00 -0.62 1.92 3.07 -1.94 -2.74 114.58 114.54 1qf7 h GLU 344 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1qf7 h GLU 344 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1qf7 h GLU 344 CO -0.04 0.01 0.00 -0.25 -1.40 0.00 0.00 179.01 177.33 1qf7 n ASP 345 N -3.11 3.72 -0.32 1.42 8.00 0.01 -4.60 116.55 121.67 1qf7 n ASP 345 Ca 0.00 -2.30 0.09 0.00 0.71 0.00 0.00 54.79 53.29 1qf7 n ASP 345 Cb 0.30 -0.49 0.26 0.00 -0.02 0.00 0.00 41.12 41.17 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 3.23 0.68 -0.46 -1.24 4.81 -1.56 -1.49 114.58 118.54 1qf7 h GLU 346 Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1qf7 h GLU 346 Cb 1.13 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1qf7 h GLU 346 CO 0.16 0.45 0.01 1.19 -0.73 0.00 0.00 179.01 180.09 1qf7 n PHE 347 N -4.82 1.65 1.43 0.92 3.72 -1.26 -4.48 117.46 114.61 1qf7 n PHE 347 Ca 0.19 -0.83 0.14 0.00 -0.05 0.00 0.00 57.45 56.90 1qf7 n PHE 347 Cb 0.47 -0.45 0.47 0.00 -0.94 0.00 0.00 39.48 39.04 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 0.10 1.63 -2.61 -1.08 5.02 -0.56 -4.90 118.16 115.76 1qf7 n LYS 348 Ca 0.26 -0.99 -0.22 0.00 -2.02 0.00 0.00 58.31 55.34 1qf7 n LYS 348 Cb 1.09 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 34.68 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 -2.05 2.51 -1.43 2.13 0.08 -1.26 -4.98 117.98 112.97 1qf7 s PHE 349 Ca 0.36 -0.07 0.08 0.00 0.12 0.00 0.00 56.93 57.41 1qf7 s PHE 349 Cb 0.21 -2.83 0.29 0.00 -0.57 0.00 0.00 43.02 40.12 1qf7 s PHE 349 CO 0.35 -1.12 1.12 -0.40 -0.10 0.00 0.00 175.22 175.07 1qf7 n ASP 350 N -2.50 2.16 -4.19 1.36 5.68 -1.26 -4.82 116.55 112.98 1qf7 n ASP 350 Ca 0.10 -2.16 -0.11 0.00 -0.50 0.00 0.00 54.79 52.11 1qf7 n ASP 350 Cb 0.60 -0.36 -0.10 0.00 -1.14 0.00 0.00 41.12 40.12 1qf7 n ASP 350 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1qf7 s PHE 351 N -1.65 1.01 0.01 2.11 -0.71 -1.26 -5.02 117.98 112.48 1qf7 s PHE 351 Ca 0.21 -1.13 -0.25 0.00 -1.04 0.00 0.00 56.93 54.72 1qf7 s PHE 351 Cb 0.13 -0.58 -0.05 0.00 -1.21 0.00 0.00 43.02 41.32 1qf7 s PHE 351 CO 0.10 -0.37 0.77 0.34 -1.34 0.00 0.00 175.22 174.73 1qf7 s ASP 352 N -3.10 7.17 0.54 1.98 -1.08 -1.26 -4.93 116.67 115.99 1qf7 s ASP 352 Ca 0.23 1.41 0.22 0.00 -0.52 0.00 0.00 52.55 53.88 1qf7 s ASP 352 Cb 0.07 -2.47 1.48 0.00 -1.46 0.00 0.00 42.92 40.54 1qf7 s ASP 352 CO 0.02 -0.05 2.18 -0.07 0.52 0.00 0.00 175.17 177.77 1qf7 h LEU 353 N 6.07 0.00 -1.19 -1.34 3.38 -1.97 -2.58 115.31 117.68 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 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1qf7 h LEU 353 CO 0.72 0.02 0.00 0.18 0.09 0.00 0.00 178.44 179.45 1qf7 n LEU 354 N -4.22 1.79 -4.52 1.67 4.77 -1.26 -4.47 117.00 110.77 1qf7 n LEU 354 Ca -0.03 -0.74 -0.43 0.00 -0.03 0.00 0.00 56.01 54.78 1qf7 n LEU 354 Cb 0.10 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1qf7 n LEU 354 CO 0.31 0.37 0.41 -0.62 -1.33 0.00 0.00 177.39 176.54 1qf7 s ASP 355 N -1.59 6.33 0.00 -1.43 -1.08 -0.97 -4.33 116.67 113.60 1qf7 s ASP 355 Ca 0.33 -0.34 0.22 0.00 -0.52 0.00 0.00 52.55 52.25 1qf7 s ASP 355 Cb 0.18 -2.33 1.26 0.00 -1.46 0.00 0.00 42.92 40.57 1qf7 s ASP 355 CO 0.27 -0.82 1.72 -0.81 0.52 0.00 0.00 175.17 176.06 1qf7 n PRO 356 N 6.35 0.56 -0.13 4.34 -0.04 -1.26 -1.82 135.00 143.00 1qf7 n PRO 356 Ca -0.01 0.03 0.09 0.00 -0.04 0.00 0.00 63.50 63.57 1qf7 n PRO 356 Cb 0.48 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.11 0.33 -4.89 0.52 -2.24 -1.26 -1.21 114.28 104.42 1qf7 n THR 357 Ca 0.15 -0.42 -0.32 0.00 -2.27 0.00 0.00 64.05 61.18 1qf7 n THR 357 Cb 0.12 0.36 -0.16 0.00 -2.10 0.00 0.00 70.33 68.54 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 -1.67 3.09 0.52 -0.78 -0.14 -0.76 -4.86 119.74 115.15 1qf7 s LYS 358 Ca 0.30 -0.83 -0.01 0.00 -1.36 0.00 0.00 55.97 54.07 1qf7 s LYS 358 Cb 0.16 -2.42 0.01 0.00 -1.68 0.00 0.00 37.83 33.90 1qf7 s LYS 358 CO 0.23 0.09 0.76 -0.48 -0.76 0.00 0.00 175.35 175.20 1qf7 s LEU 359 N 0.57 3.42 -0.38 3.17 0.05 -1.26 -4.86 118.68 119.40 1qf7 s LEU 359 Ca -0.12 0.31 -0.08 0.00 0.05 0.00 0.00 54.13 54.29 1qf7 s LEU 359 Cb -0.17 -3.16 0.05 0.00 -2.05 0.00 0.00 46.19 40.87 1qf7 s LEU 359 CO 0.04 -0.94 0.18 -0.63 -0.55 0.00 0.00 176.35 174.45 1qf7 s ILE 360 N -2.73 4.04 0.22 1.48 1.01 -1.26 -5.05 121.20 118.90 1qf7 s ILE 360 Ca 0.52 -1.22 -0.32 0.00 0.00 0.00 0.00 60.65 59.63 1qf7 s ILE 360 Cb -0.10 -3.37 -0.12 0.00 0.01 0.00 0.00 42.46 38.88 1qf7 s ILE 360 CO 0.40 -0.33 1.68 -2.84 0.00 0.00 0.00 174.94 173.85 1qf7 s PRO 361 N 1.42 4.13 0.52 2.79 0.02 -1.26 -4.86 135.00 137.77 1qf7 s PRO 361 Ca 0.01 2.57 0.17 0.00 0.02 0.00 0.00 61.00 63.78 1qf7 s PRO 361 Cb -0.21 -3.07 1.31 0.00 0.02 0.00 0.00 34.50 32.55 1qf7 s PRO 361 CO 0.03 -0.71 2.14 0.93 -0.33 0.00 0.00 177.00 179.06 1qf7 h GLU 362 N 6.41 0.00 0.00 5.54 5.08 -1.97 -0.23 114.58 129.41 1qf7 h GLU 362 Ca -0.44 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1qf7 h GLU 362 Cb 1.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1qf7 h GLU 362 CO 0.92 0.00 -0.07 0.93 -1.00 0.00 0.00 179.01 179.79 1qf7 h GLU 363 N 0.00 0.00 0.04 2.33 4.39 -1.96 -2.92 114.58 116.46 1qf7 h GLU 363 Ca 0.02 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.35 1qf7 h GLU 363 Cb 0.08 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.68 1qf7 h GLU 363 CO -0.00 0.07 -2.09 1.28 -1.16 0.00 0.00 179.01 177.11 1qf7 n LEU 364 N -3.65 2.44 -3.68 1.33 4.77 -0.19 -4.85 117.00 113.18 1qf7 n LEU 364 Ca -0.02 0.18 -0.30 0.00 -0.03 0.00 0.00 56.01 55.84 1qf7 n LEU 364 Cb 0.18 -0.97 -0.15 0.00 -2.33 0.00 0.00 43.42 40.15 1qf7 n LEU 364 CO 0.28 0.71 -0.32 -0.69 -1.33 0.00 0.00 177.39 176.04 1qf7 s VAL 365 N -2.50 0.68 0.65 4.08 1.01 -0.64 -5.06 120.40 118.62 1qf7 s VAL 365 Ca -0.30 -1.38 -0.16 0.00 0.00 0.00 0.00 61.98 60.14 1qf7 s VAL 365 Cb 0.09 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 1qf7 s VAL 365 CO 0.63 -0.72 1.12 -2.16 0.00 0.00 0.00 175.10 173.97 1qf7 s PRO 366 N 1.59 2.82 -0.22 2.72 0.04 -1.11 -4.01 135.00 136.82 1qf7 s PRO 366 Ca 0.11 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 1qf7 s PRO 366 Cb -0.18 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1qf7 s PRO 366 CO -0.24 -1.25 1.02 0.08 0.04 0.00 0.00 177.00 176.65 1qf7 s VAL 367 N -2.21 4.70 -0.24 -0.36 1.01 -1.26 -4.47 120.40 117.57 1qf7 s VAL 367 Ca 0.69 2.00 -0.18 0.00 0.00 0.00 0.00 61.98 64.49 1qf7 s VAL 367 Cb -0.22 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 1qf7 s VAL 367 CO 0.40 -0.16 0.50 -1.58 0.00 0.00 0.00 175.10 174.26 1qf7 s GLN 368 N 3.08 4.11 0.26 2.72 0.74 0.25 -4.83 119.66 125.98 1qf7 s GLN 368 Ca 0.44 0.33 -0.30 0.00 0.05 0.00 0.00 55.36 55.87 1qf7 s GLN 368 Cb -0.15 -3.62 -0.14 0.00 1.10 0.00 0.00 33.01 30.20 1qf7 s GLN 368 CO 0.07 -0.26 1.24 0.54 -0.55 0.00 0.00 175.29 176.33 1qf7 n ARG 369 N 5.23 1.74 0.00 1.67 3.00 -1.26 -1.18 116.66 125.86 1qf7 n ARG 369 Ca -0.05 0.61 0.00 0.00 -0.01 0.00 0.00 57.85 58.41 1qf7 n ARG 369 Cb 0.50 -2.16 0.00 0.00 0.00 0.00 0.00 32.46 30.80 1qf7 n ARG 369 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1qf7 n VAL 370 N 1.08 0.00 -3.87 1.55 0.31 0.75 -4.87 118.33 113.28 1qf7 n VAL 370 Ca 0.10 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.42 1qf7 n VAL 370 Cb 0.31 -0.53 0.01 0.00 -0.91 0.00 0.00 33.84 32.72 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 -3.98 -0.04 -0.02 2.92 0.00 -1.12 -1.26 107.32 103.82 1qf7 s GLY 371 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 44.72 44.70 1qf7 s GLY 371 CO 0.00 2.84 -0.21 1.25 0.00 0.00 0.00 173.10 176.98 1qf7 s LYS 372 N -2.26 1.81 -0.09 2.90 2.20 -0.56 -0.64 119.74 123.10 1qf7 s LYS 372 Ca 0.22 -0.76 0.02 0.00 -0.36 0.00 0.00 55.97 55.09 1qf7 s LYS 372 Cb -0.01 -1.71 -0.02 0.00 -1.51 0.00 0.00 37.83 34.59 1qf7 s LYS 372 CO 0.02 0.43 -0.16 1.41 -0.36 0.00 0.00 175.35 176.70 1qf7 s MET 373 N -0.42 3.00 -0.10 4.03 -2.45 -0.16 -2.07 119.30 121.13 1qf7 s MET 373 Ca 0.06 -0.73 0.03 0.00 -1.25 0.00 0.00 55.69 53.80 1qf7 s MET 373 Cb -0.09 -2.47 0.01 0.00 1.25 0.00 0.00 34.83 33.52 1qf7 s MET 373 CO -0.00 0.35 -0.19 0.08 1.05 0.00 0.00 175.02 176.31 1qf7 s VAL 374 N -0.03 1.73 -0.42 10.11 1.01 -0.23 -1.46 120.40 131.11 1qf7 s VAL 374 Ca -0.04 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1qf7 s VAL 374 Cb -0.14 -1.53 0.06 0.00 0.00 0.00 0.00 36.38 34.77 1qf7 s VAL 374 CO 0.04 0.49 0.27 -0.76 0.00 0.00 0.00 175.10 175.14 1qf7 s LEU 375 N 0.62 5.12 -0.09 3.92 1.02 0.15 -0.91 118.68 128.52 1qf7 s LEU 375 Ca -0.14 -1.29 0.13 0.00 0.02 0.00 0.00 54.13 52.85 1qf7 s LEU 375 Cb -0.16 -2.05 0.20 0.00 0.02 0.00 0.00 46.19 44.20 1qf7 s LEU 375 CO 0.04 -0.51 1.09 -0.46 0.02 0.00 0.00 176.35 176.53 1qf7 n ASN 376 N 5.01 2.06 -3.66 2.29 6.94 -0.76 -3.48 115.26 123.66 1qf7 n ASN 376 Ca -0.11 -2.72 -0.12 0.00 -0.02 0.00 0.00 54.58 51.62 1qf7 n ASN 376 Cb 0.44 -0.30 -0.08 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 -2.19 0.68 0.55 -3.83 3.52 -1.03 -5.00 118.95 111.65 1qf7 s ARG 377 Ca 0.22 0.94 -0.13 0.00 -0.13 0.00 0.00 55.73 56.63 1qf7 s ARG 377 Cb 0.19 0.26 -0.06 0.00 -1.56 0.00 0.00 34.95 33.78 1qf7 s ARG 377 CO 0.02 -0.11 0.97 -0.80 -0.81 0.00 0.00 175.30 174.57 1qf7 s ASN 378 N 0.77 6.42 1.27 -2.12 0.01 -1.26 -0.63 114.94 119.40 1qf7 s ASN 378 Ca -0.04 1.41 -0.18 0.00 -0.71 0.00 0.00 52.86 53.35 1qf7 s ASN 378 Cb -0.05 -2.45 0.31 0.00 0.41 0.00 0.00 41.25 39.47 1qf7 s ASN 378 CO -0.06 -0.69 1.00 -2.84 -1.51 0.00 0.00 177.10 173.01 1qf7 s PRO 379 N -4.57 -1.74 -0.20 -0.60 0.02 -1.26 -3.79 135.00 122.87 1qf7 s PRO 379 Ca 0.56 0.39 -0.06 0.00 0.02 0.00 0.00 61.00 61.91 1qf7 s PRO 379 Cb -0.10 -1.49 -0.21 0.00 0.02 0.00 0.00 34.50 32.71 1qf7 s PRO 379 CO 0.42 -4.16 0.06 -0.25 -0.33 0.00 0.00 177.00 172.74 1qf7 n ASP 380 N -5.16 2.03 -3.78 2.53 8.00 -1.26 -1.90 116.55 117.02 1qf7 n ASP 380 Ca 0.08 0.12 -0.27 0.00 0.71 0.00 0.00 54.79 55.43 1qf7 n ASP 380 Cb 0.58 -0.71 -0.17 0.00 -0.02 0.00 0.00 41.12 40.80 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 -6.88 2.58 0.17 -2.24 3.84 -1.26 -4.65 114.94 106.50 1qf7 s ASN 381 Ca -0.29 -0.62 -0.19 0.00 0.21 0.00 0.00 52.86 51.97 1qf7 s ASN 381 Cb 0.08 -0.63 0.09 0.00 -0.55 0.00 0.00 41.25 40.25 1qf7 s ASN 381 CO 0.66 -0.25 1.64 0.15 -2.79 0.00 0.00 177.10 176.51 1qf7 h PHE 382 N 8.24 -0.42 0.19 0.43 3.04 -1.98 -2.59 116.94 123.85 1qf7 h PHE 382 Ca -0.19 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.80 1qf7 h PHE 382 Cb 1.12 0.24 0.00 0.00 2.56 0.00 0.00 35.95 39.87 1qf7 h PHE 382 CO 0.36 -0.25 -0.09 0.35 -2.02 0.00 0.00 178.31 176.67 1qf7 h PHE 383 N -0.10 -0.24 -1.00 0.41 3.04 -1.96 0.14 116.94 117.23 1qf7 h PHE 383 Ca 0.19 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.17 1qf7 h PHE 383 Cb 0.39 0.08 -0.06 0.00 2.56 0.00 0.00 35.95 38.92 1qf7 h PHE 383 CO -0.40 -0.11 0.66 0.00 -2.02 0.00 0.00 178.31 176.43 1qf7 h ALA 384 N 0.51 1.32 0.00 2.41 0.00 -1.94 -2.32 119.26 119.25 1qf7 h ALA 384 Ca -0.03 -0.05 -0.40 0.00 0.00 0.00 0.00 54.91 54.44 1qf7 h ALA 384 Cb 0.23 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1qf7 h ALA 384 CO 0.04 0.55 -2.38 0.39 0.00 0.00 0.00 179.25 177.86 1qf7 n GLU 385 N -4.44 0.55 -0.01 0.00 1.02 -0.99 -4.25 120.64 112.52 1qf7 n GLU 385 Ca 0.13 0.20 -0.01 0.00 -0.02 0.00 0.00 57.16 57.46 1qf7 n GLU 385 Cb 0.09 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 -0.59 -0.06 -0.83 1.62 -0.00 -0.94 -3.22 115.58 111.56 1qf7 h ASN 386 Ca -0.60 0.00 0.06 0.00 -0.00 0.00 0.00 56.30 55.76 1qf7 h ASN 386 Cb 1.65 0.01 -0.05 0.00 -0.00 0.00 0.00 38.32 39.93 1qf7 h ASN 386 CO -0.28 0.35 0.54 -0.08 -0.00 0.00 0.00 177.43 177.96 1qf7 h GLU 387 N -0.85 0.91 -0.01 6.67 4.57 -0.97 -1.99 114.58 122.91 1qf7 h GLU 387 Ca -0.01 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1qf7 h GLU 387 Cb 0.05 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 1qf7 h GLU 387 CO 0.01 0.60 -0.07 1.04 -1.18 0.00 0.00 179.01 179.41 1qf7 n GLN 388 N -4.48 1.22 -2.03 1.92 6.02 -0.89 -4.91 117.38 114.23 1qf7 n GLN 388 Ca 0.12 -0.59 -0.41 0.00 -0.01 0.00 0.00 57.00 56.10 1qf7 n GLN 388 Cb 0.19 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.94 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 -2.19 3.61 -0.18 -1.58 0.00 -0.75 -4.87 121.76 115.80 1qf7 s ALA 389 Ca 0.35 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.63 1qf7 s ALA 389 Cb 0.21 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.81 1qf7 s ALA 389 CO 0.40 -0.73 -0.11 0.00 0.00 0.00 0.00 175.76 175.32 1qf7 s ALA 390 N -0.10 1.90 0.12 0.00 0.00 -1.26 -5.05 121.76 117.38 1qf7 s ALA 390 Ca 0.58 -1.06 0.06 0.00 0.00 0.00 0.00 51.96 51.54 1qf7 s ALA 390 Cb -0.41 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 1qf7 s ALA 390 CO 0.44 -0.66 -0.04 -0.06 0.00 0.00 0.00 175.76 175.44 1qf7 s PHE 391 N 1.45 2.85 -0.11 0.00 0.40 -1.26 -5.01 117.98 116.30 1qf7 s PHE 391 Ca 0.01 -0.11 -0.05 0.00 -0.60 0.00 0.00 56.93 56.18 1qf7 s PHE 391 Cb -0.15 -1.45 0.05 0.00 0.51 0.00 0.00 43.02 41.98 1qf7 s PHE 391 CO -0.09 0.47 0.25 -0.65 0.70 0.00 0.00 175.22 175.90 1qf7 s GLN 392 N -2.45 0.20 0.41 0.44 -0.21 -1.26 -4.96 119.66 111.83 1qf7 s GLN 392 Ca 0.24 0.58 0.29 0.00 0.02 0.00 0.00 55.36 56.49 1qf7 s GLN 392 Cb -0.11 -0.10 1.19 0.00 1.00 0.00 0.00 33.01 34.98 1qf7 s GLN 392 CO 0.17 -0.19 1.85 -1.00 -2.12 0.00 0.00 175.29 174.00 1qf7 h PRO 393 N 7.43 0.00 0.00 2.91 0.13 -1.88 -0.22 132.00 140.37 1qf7 h PRO 393 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1qf7 h PRO 393 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1qf7 h PRO 393 CO 0.32 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.50 1qf7 n GLY 394 N 0.02 -1.21 3.44 1.56 0.00 -1.26 -4.45 105.19 103.28 1qf7 n GLY 394 Ca 0.01 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.07 3.18 0.43 1.61 3.76 -0.10 -4.96 115.29 116.14 1qf7 s HIS 395 Ca 0.08 -1.44 0.06 0.00 -0.15 0.00 0.00 55.06 53.61 1qf7 s HIS 395 Cb 0.12 -4.24 -0.06 0.00 1.11 0.00 0.00 32.58 29.51 1qf7 s HIS 395 CO 0.37 -1.44 0.09 0.96 -0.85 0.00 0.00 174.74 173.87 1qf7 s ILE 396 N 2.46 2.00 0.15 0.60 -4.36 -1.26 -1.32 121.20 119.46 1qf7 s ILE 396 Ca 0.31 -1.86 0.04 0.00 -0.26 0.00 0.00 60.65 58.89 1qf7 s ILE 396 Cb -0.05 -2.86 -0.04 0.00 1.25 0.00 0.00 42.46 40.75 1qf7 s ILE 396 CO -0.09 0.00 -0.09 0.68 0.24 0.00 0.00 174.94 175.68 1qf7 s VAL 397 N -2.69 1.09 0.06 8.37 -7.23 -1.26 -4.83 120.40 113.90 1qf7 s VAL 397 Ca 0.34 -2.04 -0.36 0.00 -1.81 0.00 0.00 61.98 58.10 1qf7 s VAL 397 Cb 0.06 -1.86 -0.15 0.00 0.56 0.00 0.00 36.38 34.98 1qf7 s VAL 397 CO 0.18 -0.73 1.48 -2.65 -0.31 0.00 0.00 175.10 173.07 1qf7 n PRO 398 N -0.19 1.49 0.00 4.82 -0.02 -1.26 -1.80 135.00 138.04 1qf7 n PRO 398 Ca -0.10 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1qf7 n PRO 398 Cb 0.61 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 3.07 1.49 3.47 -1.23 0.00 -1.26 -3.51 105.19 107.22 1qf7 n GLY 399 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 2.61 0.30 0.99 1.43 -0.75 -0.87 118.68 122.39 1qf7 s LEU 400 Ca 0.00 -1.06 -0.19 0.00 -1.03 0.00 0.00 54.13 51.85 1qf7 s LEU 400 Cb 0.00 -1.04 0.02 0.00 0.03 0.00 0.00 46.19 45.21 1qf7 s LEU 400 CO 0.00 -0.03 0.71 -0.62 0.23 0.00 0.00 176.35 176.64 1qf7 s ASP 401 N -3.51 -0.17 0.81 2.29 -1.08 -0.09 -4.74 116.67 110.18 1qf7 s ASP 401 Ca 0.30 -0.77 -0.05 0.00 -0.52 0.00 0.00 52.55 51.52 1qf7 s ASP 401 Cb -0.03 0.74 0.17 0.00 -1.46 0.00 0.00 42.92 42.33 1qf7 s ASP 401 CO 0.15 -1.40 1.11 -0.36 0.52 0.00 0.00 175.17 175.19 1qf7 s PHE 402 N -3.59 1.30 0.41 -5.34 0.08 -1.26 -0.83 117.98 108.75 1qf7 s PHE 402 Ca 0.13 -0.22 0.03 0.00 0.12 0.00 0.00 56.93 57.00 1qf7 s PHE 402 Cb -0.05 -3.31 -0.01 0.00 -0.57 0.00 0.00 43.02 39.07 1qf7 s PHE 402 CO 0.08 -2.10 0.11 0.25 -0.10 0.00 0.00 175.22 173.46 1qf7 n THR 403 N -3.14 0.00 1.08 0.64 -2.24 -1.26 -4.33 114.28 105.03 1qf7 n THR 403 Ca 0.17 -2.29 0.04 0.00 -2.27 0.00 0.00 64.05 59.69 1qf7 n THR 403 Cb 0.60 0.74 0.12 0.00 -2.10 0.00 0.00 70.33 69.69 1qf7 n THR 403 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1qf7 n ASN 404 N -1.49 1.53 -4.71 3.42 3.02 -1.26 -4.71 115.26 111.06 1qf7 n ASN 404 Ca -0.09 -2.04 -0.62 0.00 -0.03 0.00 0.00 54.58 51.80 1qf7 n ASN 404 Cb 0.60 -0.22 -0.08 0.00 -0.61 0.00 0.00 39.78 39.46 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 0.24 1.69 0.17 6.41 -0.08 -1.26 -4.81 116.55 118.91 1qf7 n ASP 405 Ca 0.09 1.13 0.13 0.00 -1.51 0.00 0.00 54.79 54.63 1qf7 n ASP 405 Cb 0.26 -1.01 0.44 0.00 2.34 0.00 0.00 41.12 43.15 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 5.86 0.00 0.09 -0.67 0.13 -1.77 -0.35 132.00 135.30 1qf7 h PRO 406 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1qf7 h PRO 406 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1qf7 h PRO 406 CO 0.94 0.00 -0.04 1.25 -0.23 0.00 0.00 178.00 179.92 1qf7 h LEU 407 N 0.00 -0.10 -0.37 1.56 5.85 -1.81 -2.59 115.31 117.86 1qf7 h LEU 407 Ca 0.00 -0.47 0.07 0.00 0.84 0.00 0.00 57.88 58.32 1qf7 h LEU 407 Cb 0.63 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.62 1qf7 h LEU 407 CO 0.00 0.55 -0.06 0.25 -0.34 0.00 0.00 178.44 178.84 1qf7 h LEU 408 N -0.89 -0.26 -0.66 2.25 5.85 -1.86 -1.90 115.31 117.84 1qf7 h LEU 408 Ca -0.01 0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.94 1qf7 h LEU 408 Cb 0.57 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.69 1qf7 h LEU 408 CO 0.02 -0.09 0.14 1.56 -0.34 0.00 0.00 178.44 179.73 1qf7 h GLN 409 N 0.04 0.25 0.00 1.25 1.08 -1.20 -1.58 115.11 114.94 1qf7 h GLN 409 Ca 0.18 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.32 1qf7 h GLN 409 Cb 0.26 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 1qf7 h GLN 409 CO -0.35 0.16 -0.21 0.78 -0.95 0.00 0.00 178.83 178.26 1qf7 h GLY 410 N 0.25 0.00 2.00 3.46 0.00 -1.49 -2.80 103.07 104.49 1qf7 h GLY 410 Ca 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 1qf7 h GLY 410 CO -0.46 0.00 -0.14 3.21 0.00 0.00 0.00 176.54 179.15 1qf7 h ARG 411 N 0.00 0.00 -0.05 4.80 3.08 -0.52 -2.64 114.38 119.05 1qf7 h ARG 411 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1qf7 h ARG 411 Cb 0.94 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 1qf7 h ARG 411 CO 0.03 0.14 -0.30 -0.07 -1.07 0.00 0.00 179.97 178.69 1qf7 h LEU 412 N 0.00 0.09 0.01 3.04 3.38 -1.16 -3.21 115.31 117.46 1qf7 h LEU 412 Ca -0.00 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1qf7 h LEU 412 Cb 0.60 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.33 1qf7 h LEU 412 CO 0.02 0.40 -0.28 0.15 0.09 0.00 0.00 178.44 178.81 1qf7 h PHE 413 N 0.08 0.27 -0.91 1.13 3.57 -1.60 -3.42 116.94 116.06 1qf7 h PHE 413 Ca 0.01 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 1qf7 h PHE 413 Cb 0.58 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 1qf7 h PHE 413 CO 0.00 0.98 0.52 1.03 -2.23 0.00 0.00 178.31 178.61 1qf7 h SER 414 N -0.52 1.11 -0.34 0.41 0.87 -1.54 -3.22 113.55 110.32 1qf7 h SER 414 Ca -0.04 -0.08 -0.13 0.00 -1.23 0.00 0.00 61.79 60.30 1qf7 h SER 414 Cb 1.06 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 1qf7 h SER 414 CO 0.05 0.87 -0.31 1.88 -0.53 0.00 0.00 176.83 178.80 1qf7 h TYR 415 N 1.26 0.97 -0.48 2.24 -1.99 -1.80 -0.88 116.97 116.29 1qf7 h TYR 415 Ca 0.32 -0.28 -0.08 0.00 2.00 0.00 0.00 58.73 60.68 1qf7 h TYR 415 Cb -0.01 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.49 1qf7 h TYR 415 CO 0.01 1.07 -0.03 1.15 -0.00 0.00 0.00 178.16 180.36 1qf7 h THR 416 N 0.60 1.27 0.69 -2.88 2.02 -1.84 -2.48 112.91 110.29 1qf7 h THR 416 Ca 0.06 -1.11 -0.03 0.00 0.77 0.00 0.00 66.41 66.10 1qf7 h THR 416 Cb 0.89 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1qf7 h THR 416 CO 0.08 0.39 -0.46 -0.78 0.37 0.00 0.00 175.52 175.11 1qf7 h ASP 417 N 0.72 -1.19 -0.78 4.18 3.58 -1.55 -2.73 116.42 118.66 1qf7 h ASP 417 Ca 0.13 0.07 0.18 0.00 0.42 0.00 0.00 57.03 57.84 1qf7 h ASP 417 Cb 0.55 0.36 -0.05 0.00 1.72 0.00 0.00 39.33 41.91 1qf7 h ASP 417 CO 0.03 -0.69 0.53 0.00 -2.88 0.00 0.00 179.24 176.23 1qf7 h THR 418 N -1.10 0.72 0.00 2.25 1.03 -1.16 -2.48 112.91 112.17 1qf7 h THR 418 Ca -0.09 -0.10 -0.03 0.00 -0.01 0.00 0.00 66.41 66.18 1qf7 h THR 418 Cb 0.90 0.41 -0.00 0.00 -1.07 0.00 0.00 68.15 68.38 1qf7 h THR 418 CO 0.07 0.05 -0.14 1.56 -0.01 0.00 0.00 175.52 177.05 1qf7 h GLN 419 N 0.29 0.00 -0.13 0.00 4.20 -1.14 -2.19 115.11 116.13 1qf7 h GLN 419 Ca 0.39 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 59.04 1qf7 h GLN 419 Cb 1.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1qf7 h GLN 419 CO -0.10 0.14 -0.17 0.82 -0.67 0.00 0.00 178.83 178.85 1qf7 h ILE 420 N 0.00 1.19 0.01 2.54 1.08 -1.28 -0.44 117.51 120.62 1qf7 h ILE 420 Ca -0.00 -0.87 -0.38 0.00 -0.39 0.00 0.00 64.86 63.22 1qf7 h ILE 420 Cb 0.72 1.28 -0.06 0.00 -3.07 0.00 0.00 36.82 35.69 1qf7 h ILE 420 CO 0.02 0.27 -2.36 -1.54 -0.69 0.00 0.00 178.15 173.85 1qf7 n SER 421 N -4.24 1.39 0.04 1.72 3.41 -1.12 -0.86 113.62 113.96 1qf7 n SER 421 Ca -0.01 -0.03 -0.12 0.00 -0.26 0.00 0.00 58.87 58.45 1qf7 n SER 421 Cb 0.29 -0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.11 1qf7 n SER 421 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1qf7 h ARG 422 N 0.01 -0.01 -0.54 4.33 2.43 -1.35 -2.73 114.38 116.52 1qf7 h ARG 422 Ca -0.54 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.62 1qf7 h ARG 422 Cb 2.02 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.56 1qf7 h ARG 422 CO -0.03 0.01 0.01 1.28 -1.51 0.00 0.00 179.97 179.73 1qf7 n LEU 423 N -5.09 5.51 -0.09 3.80 4.77 -0.18 -4.35 117.00 121.37 1qf7 n LEU 423 Ca -0.07 -2.97 -0.01 0.00 -0.03 0.00 0.00 56.01 52.93 1qf7 n LEU 423 Cb 0.04 -0.67 -0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1qf7 n LEU 423 CO 0.33 0.64 -0.01 0.61 -1.33 0.00 0.00 177.39 177.63 1qf7 n GLY 424 N 0.42 0.42 0.00 -0.72 0.00 -1.03 -4.84 105.19 99.45 1qf7 n GLY 424 Ca 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1qf7 n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qf7 n GLY 425 N -1.67 -0.80 0.03 -0.02 0.00 -0.04 -4.78 105.19 97.91 1qf7 n GLY 425 Ca -0.01 -1.36 0.15 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.06 0.85 -1.10 1.61 -0.04 -1.26 -3.80 135.00 130.20 1qf7 n PRO 426 Ca 0.00 -0.06 -0.23 0.00 -0.04 0.00 0.00 63.50 63.17 1qf7 n PRO 426 Cb 0.00 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.02 4.44 0.17 3.54 3.02 -1.26 -4.59 115.26 119.56 1qf7 n ASN 427 Ca 0.20 -3.44 0.13 0.00 -0.03 0.00 0.00 54.58 51.44 1qf7 n ASN 427 Cb 0.17 -0.84 0.58 0.00 -0.61 0.00 0.00 39.78 39.08 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 1.08 0.00 0.00 3.10 -5.15 -1.89 -0.58 116.94 113.50 1qf7 h PHE 428 Ca 0.55 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.32 1qf7 h PHE 428 Cb 2.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.42 1qf7 h PHE 428 CO 1.36 0.00 0.00 -2.39 -2.00 0.00 0.00 178.31 175.28 1qf7 n HIS 429 N -2.37 0.31 1.08 6.09 1.44 -1.26 -2.13 115.22 118.37 1qf7 n HIS 429 Ca 0.01 0.10 0.12 0.00 -2.01 0.00 0.00 57.72 55.94 1qf7 n HIS 429 Cb 0.17 -0.66 0.32 0.00 0.12 0.00 0.00 29.99 29.95 1qf7 n HIS 429 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1qf7 n GLU 430 N -1.76 0.23 -2.19 -1.40 1.02 -0.23 -3.14 120.64 113.17 1qf7 n GLU 430 Ca 0.05 -0.12 -0.42 0.00 -0.02 0.00 0.00 57.16 56.65 1qf7 n GLU 430 Cb 0.32 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.21 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 -2.86 3.36 0.24 -3.67 1.01 -0.91 -4.85 121.20 113.53 1qf7 s ILE 431 Ca 0.15 0.97 -0.12 0.00 0.00 0.00 0.00 60.65 61.65 1qf7 s ILE 431 Cb 0.18 -3.62 0.32 0.00 0.01 0.00 0.00 42.46 39.35 1qf7 s ILE 431 CO 0.63 0.07 1.58 -0.65 0.00 0.00 0.00 174.94 176.58 1qf7 h PRO 432 N 6.83 -0.02 -0.43 2.79 0.11 -1.89 0.41 132.00 139.79 1qf7 h PRO 432 Ca -0.42 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.76 1qf7 h PRO 432 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1qf7 h PRO 432 CO 0.86 -0.01 0.29 0.97 -0.21 0.00 0.00 178.00 179.90 1qf7 h ILE 433 N -0.02 0.94 -0.00 4.15 6.09 -1.90 -2.60 117.51 124.16 1qf7 h ILE 433 Ca 0.38 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.76 1qf7 h ILE 433 Cb 0.61 0.61 0.00 0.00 0.47 0.00 0.00 36.82 38.51 1qf7 h ILE 433 CO -0.86 0.05 -0.39 0.59 -3.07 0.00 0.00 178.15 174.47 1qf7 n ASN 434 N -4.47 0.48 -4.74 2.19 3.02 0.12 -4.93 115.26 106.93 1qf7 n ASN 434 Ca 0.06 -0.22 -0.42 0.00 -0.03 0.00 0.00 54.58 53.98 1qf7 n ASN 434 Cb 0.29 0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.55 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 -2.93 4.26 0.58 3.52 0.52 -0.98 -4.85 118.95 119.07 1qf7 s ARG 435 Ca 0.13 2.30 -0.20 0.00 -0.52 0.00 0.00 55.73 57.44 1qf7 s ARG 435 Cb 0.18 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 1qf7 s ARG 435 CO 0.65 -0.47 1.27 -2.30 0.02 0.00 0.00 175.30 174.47 1qf7 n PRO 436 N 2.84 1.40 0.00 3.54 -0.02 -1.26 -4.92 135.00 136.58 1qf7 n PRO 436 Ca 0.09 0.52 0.11 0.00 -2.02 0.00 0.00 63.50 62.20 1qf7 n PRO 436 Cb 0.40 -2.48 0.05 0.00 -0.02 0.00 0.00 33.50 31.45 1qf7 n PRO 436 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1qf7 n THR 437 N -1.37 0.00 -2.64 3.45 -2.24 -1.26 -4.91 114.28 105.31 1qf7 n THR 437 Ca 0.12 -0.07 -0.22 0.00 -2.27 0.00 0.00 64.05 61.62 1qf7 n THR 437 Cb 0.46 0.79 0.06 0.00 -2.10 0.00 0.00 70.33 69.53 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 -4.85 2.91 -0.10 0.00 0.02 -1.26 -5.05 135.00 126.67 1qf7 s PRO 439 Ca 0.60 1.76 -0.04 0.00 0.02 0.00 0.00 61.00 63.33 1qf7 s PRO 439 Cb -0.09 -1.93 0.05 0.00 0.02 0.00 0.00 34.50 32.55 1qf7 s PRO 439 CO 0.40 -1.24 0.22 1.52 -0.33 0.00 0.00 177.00 177.57 1qf7 s TYR 440 N -1.72 -0.31 -0.11 6.54 -0.85 -1.26 -4.98 117.35 114.66 1qf7 s TYR 440 Ca 0.76 0.77 -0.07 0.00 -0.52 0.00 0.00 57.07 58.01 1qf7 s TYR 440 Cb -0.29 -0.05 0.04 0.00 0.38 0.00 0.00 41.96 42.04 1qf7 s TYR 440 CO 0.34 -0.27 0.28 -1.01 -1.52 0.00 0.00 175.55 173.38 1qf7 s HIS 441 N 1.79 -0.36 0.00 -3.49 3.76 -1.26 -5.17 115.29 110.55 1qf7 s HIS 441 Ca -0.04 0.85 0.00 0.00 -0.15 0.00 0.00 55.06 55.72 1qf7 s HIS 441 Cb -0.11 0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.68 1qf7 s HIS 441 CO -0.08 -0.22 0.00 0.27 -0.85 0.00 0.00 174.74 173.86 1qf7 n ASN 442 N 3.78 0.00 -1.07 1.40 0.23 -1.26 -4.94 115.26 113.40 1qf7 n ASN 442 Ca -0.21 -0.93 0.09 0.00 -0.53 0.00 0.00 54.58 53.00 1qf7 n ASN 442 Cb 0.55 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.51 1qf7 n ASN 442 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1qf7 n PHE 443 N 0.00 0.79 -2.14 -2.53 3.72 -1.26 -4.91 117.46 111.13 1qf7 n PHE 443 Ca 0.00 -0.51 -0.41 0.00 -0.05 0.00 0.00 57.45 56.48 1qf7 n PHE 443 Cb 0.00 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.49 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 -1.05 4.36 0.09 -1.08 -0.21 -1.26 -4.68 119.66 115.83 1qf7 s GLN 444 Ca 0.39 2.18 -0.00 0.00 0.02 0.00 0.00 55.36 57.94 1qf7 s GLN 444 Cb 0.21 -3.11 -0.04 0.00 1.00 0.00 0.00 33.01 31.07 1qf7 s GLN 444 CO 0.26 -0.21 -0.01 1.03 -2.12 0.00 0.00 175.29 174.24 1qf7 s ARG 445 N -1.24 0.79 3.91 2.91 1.81 -1.26 -5.08 118.95 120.79 1qf7 s ARG 445 Ca 0.52 -1.33 0.00 0.00 -1.72 0.00 0.00 55.73 53.19 1qf7 s ARG 445 Cb -0.39 0.10 0.00 0.00 -0.45 0.00 0.00 34.95 34.21 1qf7 s ARG 445 CO 0.48 -0.14 0.00 -0.25 -0.68 0.00 0.00 175.30 174.71 1qf7 n ASP 446 N -0.01 0.00 0.00 0.23 8.00 -1.26 -5.06 116.55 118.44 1qf7 n ASP 446 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1qf7 n ASP 446 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1qf7 n ASP 446 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qf7 n GLY 447 N 0.00 -0.30 3.74 0.44 0.00 -1.26 -4.64 105.19 103.17 1qf7 n GLY 447 Ca 0.00 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.08 2.19 -4.04 1.61 1.56 -1.26 -2.95 117.12 114.14 1qf7 n MET 448 Ca 0.00 0.78 -0.29 0.00 -0.27 0.00 0.00 57.70 57.91 1qf7 n MET 448 Cb 0.00 -2.54 -0.02 0.00 2.15 0.00 0.00 33.22 32.81 1qf7 n MET 448 CO 0.00 0.00 0.00 1.58 -0.73 0.00 0.00 175.97 176.82 1qf7 n HIS 449 N -0.11 -1.72 -1.87 1.12 -0.00 -1.26 -4.47 115.22 106.91 1qf7 n HIS 449 Ca 0.05 0.77 -0.42 0.00 -0.00 0.00 0.00 57.72 58.12 1qf7 n HIS 449 Cb 0.40 -3.49 -0.03 0.00 -0.00 0.00 0.00 29.99 26.87 1qf7 n HIS 449 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1qf7 s ARG 450 N -6.69 4.06 -0.22 1.57 6.06 -1.15 -4.89 118.95 117.69 1qf7 s ARG 450 Ca 0.29 2.28 -0.18 0.00 -2.50 0.00 0.00 55.73 55.62 1qf7 s ARG 450 Cb -0.15 -4.08 -0.18 0.00 0.06 0.00 0.00 34.95 30.59 1qf7 s ARG 450 CO 0.90 -1.01 0.10 -1.33 -2.50 0.00 0.00 175.30 171.45 1qf7 n MET 451 N 7.44 0.59 -1.87 5.12 2.81 -1.26 -4.93 117.12 125.01 1qf7 n MET 451 Ca 0.19 0.47 -0.41 0.00 -1.81 0.00 0.00 57.70 56.14 1qf7 n MET 451 Cb 0.43 -1.68 -0.02 0.00 -0.71 0.00 0.00 33.22 31.23 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 -5.11 2.20 -0.34 3.03 0.00 -1.26 -4.98 107.32 100.86 1qf7 s GLY 452 Ca -0.30 1.47 -0.07 0.00 0.00 0.00 0.00 44.72 45.82 1qf7 s GLY 452 CO 0.59 2.44 0.11 -0.42 0.00 0.00 0.00 173.10 175.82 1qf7 s ILE 453 N -0.00 3.86 0.03 0.90 1.01 -1.26 -4.99 121.20 120.75 1qf7 s ILE 453 Ca 0.62 -1.07 -0.26 0.00 0.00 0.00 0.00 60.65 59.94 1qf7 s ILE 453 Cb -0.45 -3.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1qf7 s ILE 453 CO 0.46 -0.16 0.79 -1.81 0.00 0.00 0.00 174.94 174.22 1qf7 s ASP 454 N 1.42 7.21 0.00 3.58 1.01 -1.26 -4.94 116.67 123.69 1qf7 s ASP 454 Ca -0.01 1.45 0.21 0.00 0.71 0.00 0.00 52.55 54.91 1qf7 s ASP 454 Cb -0.19 -2.48 -0.13 0.00 1.01 0.00 0.00 42.92 41.13 1qf7 s ASP 454 CO 0.03 -0.04 0.96 0.35 0.21 0.00 0.00 175.17 176.68 1qf7 n THR 455 N 3.08 0.00 -1.79 -1.27 -2.24 -1.26 -4.96 114.28 105.84 1qf7 n THR 455 Ca -0.01 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 1qf7 n THR 455 Cb 0.50 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.82 1qf7 n THR 455 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1qf7 s ASN 456 N -2.71 6.49 0.53 3.42 3.84 -1.26 -4.85 114.94 120.41 1qf7 s ASN 456 Ca 0.12 2.66 0.20 0.00 0.21 0.00 0.00 52.86 56.05 1qf7 s ASN 456 Cb 0.17 -2.56 1.38 0.00 -0.55 0.00 0.00 41.25 39.68 1qf7 s ASN 456 CO 0.71 -0.96 2.13 -0.65 -2.79 0.00 0.00 177.10 175.54 1qf7 h PRO 457 N 8.54 0.00 -5.98 0.43 0.11 -1.93 -3.42 132.00 129.76 1qf7 h PRO 457 Ca -0.45 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.05 1qf7 h PRO 457 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1qf7 h PRO 457 CO 0.94 0.00 -0.40 0.00 -0.21 0.00 0.00 178.00 178.33 1qf7 s ALA 458 N -4.98 3.88 -0.11 -0.75 0.00 -1.26 -5.00 121.76 113.54 1qf7 s ALA 458 Ca -0.05 -0.66 0.17 0.00 0.00 0.00 0.00 51.96 51.42 1qf7 s ALA 458 Cb 0.17 -2.00 0.40 0.00 0.00 0.00 0.00 23.12 21.68 1qf7 s ALA 458 CO 0.66 0.71 1.18 0.27 0.00 0.00 0.00 175.76 178.59 1qf7 n ASN 459 N 0.56 1.37 -3.73 0.00 2.04 -1.26 -5.00 115.26 109.25 1qf7 n ASN 459 Ca -0.07 -2.98 -0.10 0.00 -0.44 0.00 0.00 54.58 50.99 1qf7 n ASN 459 Cb 0.52 -0.41 -0.06 0.00 -2.53 0.00 0.00 39.78 37.30 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 -1.73 -0.08 -0.00 -2.53 1.13 -1.26 -4.80 117.35 108.08 1qf7 s TYR 460 Ca 0.34 -0.22 -0.02 0.00 -1.41 0.00 0.00 57.07 55.76 1qf7 s TYR 460 Cb 0.35 0.13 -0.00 0.00 -1.10 0.00 0.00 41.96 41.34 1qf7 s TYR 460 CO -0.10 -0.61 0.03 -1.83 -2.51 0.00 0.00 175.55 170.53 1qf7 s GLU 461 N -3.50 0.16 0.32 -3.49 4.04 -1.26 -3.94 118.70 111.04 1qf7 s GLU 461 Ca 0.02 -0.17 -0.27 0.00 0.04 0.00 0.00 54.97 54.58 1qf7 s GLU 461 Cb 0.02 0.07 -0.09 0.00 0.02 0.00 0.00 34.13 34.14 1qf7 s GLU 461 CO -0.09 -0.03 1.04 -1.25 -1.84 0.00 0.00 175.26 173.09 1qf7 s PRO 462 N -0.52 4.50 0.13 -4.83 0.04 -1.26 -5.20 135.00 127.85 1qf7 s PRO 462 Ca -0.06 1.59 0.06 0.00 0.04 0.00 0.00 61.00 62.64 1qf7 s PRO 462 Cb -0.04 -2.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.54 1qf7 s PRO 462 CO -0.00 0.14 -0.15 0.54 0.04 0.00 0.00 177.00 177.57 1qf7 s ASN 463 N -1.26 2.12 -0.08 6.66 2.20 -1.25 -5.04 114.94 118.29 1qf7 s ASN 463 Ca 0.49 -0.81 0.17 0.00 -0.94 0.00 0.00 52.86 51.77 1qf7 s ASN 463 Cb -0.26 -0.08 -0.25 0.00 -2.00 0.00 0.00 41.25 38.65 1qf7 s ASN 463 CO 0.33 -0.12 0.27 -1.54 -2.94 0.00 0.00 177.10 173.10 1qf7 n SER 464 N 0.53 0.87 0.22 3.54 3.41 -1.26 -1.59 113.62 119.34 1qf7 n SER 464 Ca -0.15 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.61 1qf7 n SER 464 Cb 0.57 1.49 0.56 0.00 -0.26 0.00 0.00 64.21 66.57 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 -0.02 -1.33 3.07 -1.98 -2.01 117.51 115.24 1qf7 h ILE 465 Ca -0.17 -0.50 0.00 0.00 1.55 0.00 0.00 64.86 65.75 1qf7 h ILE 465 Cb 1.27 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 39.25 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 -2.83 2.28 -3.03 2.16 5.15 -1.26 -4.88 115.26 112.84 1qf7 n ASN 466 Ca 0.02 -2.63 -0.22 0.00 -0.60 0.00 0.00 54.58 51.14 1qf7 n ASN 466 Cb 0.32 -0.26 0.03 0.00 -0.53 0.00 0.00 39.78 39.34 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 -0.99 -5.86 -0.66 1.20 2.03 -0.76 -1.66 116.55 109.85 1qf7 n ASP 467 Ca 0.10 -0.29 -0.09 0.00 0.52 0.00 0.00 54.79 55.04 1qf7 n ASP 467 Cb 0.49 -4.75 -0.04 0.00 -0.72 0.00 0.00 41.12 36.10 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 -2.48 -4.65 -4.88 1.67 5.15 -0.62 -5.00 115.26 104.44 1qf7 n ASN 468 Ca -0.11 0.21 -0.31 0.00 -0.60 0.00 0.00 54.58 53.78 1qf7 n ASN 468 Cb 0.61 -2.91 -0.05 0.00 -0.53 0.00 0.00 39.78 36.91 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 -2.12 3.44 0.57 1.20 0.52 -0.66 -3.80 118.94 118.09 1qf7 s TRP 469 Ca 0.00 0.78 -0.17 0.00 0.02 0.00 0.00 56.10 56.73 1qf7 s TRP 469 Cb 0.00 -2.19 -0.05 0.00 -1.15 0.00 0.00 33.47 30.08 1qf7 s TRP 469 CO 0.00 0.27 1.07 -1.25 0.02 0.00 0.00 176.95 177.06 1qf7 s PRO 470 N -2.96 3.38 0.12 4.98 0.04 -1.26 -4.89 135.00 134.41 1qf7 s PRO 470 Ca 0.46 1.31 0.06 0.00 0.04 0.00 0.00 61.00 62.87 1qf7 s PRO 470 Cb -0.11 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1qf7 s PRO 470 CO 0.24 -0.77 -0.03 1.03 0.04 0.00 0.00 177.00 177.50 1qf7 s ARG 471 N -3.78 2.36 0.72 4.56 0.52 -1.25 -5.01 118.95 117.07 1qf7 s ARG 471 Ca 0.66 -0.98 -0.16 0.00 -0.52 0.00 0.00 55.73 54.73 1qf7 s ARG 471 Cb -0.17 -2.41 -0.00 0.00 0.52 0.00 0.00 34.95 32.88 1qf7 s ARG 471 CO 0.32 0.50 0.88 0.39 0.02 0.00 0.00 175.30 177.41 1qf7 n GLU 472 N 0.41 0.47 -3.88 3.54 1.02 -1.26 -5.04 120.64 115.90 1qf7 n GLU 472 Ca -0.11 0.21 -0.22 0.00 -0.02 0.00 0.00 57.16 57.02 1qf7 n GLU 472 Cb 0.53 -2.14 -0.17 0.00 -0.02 0.00 0.00 31.44 29.64 1qf7 n GLU 472 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1qf7 s THR 473 N -1.83 0.42 0.72 2.62 2.01 -1.26 -5.08 115.64 113.25 1qf7 s THR 473 Ca 0.72 0.05 -0.16 0.00 0.31 0.00 0.00 61.69 62.61 1qf7 s THR 473 Cb -0.35 -0.53 0.01 0.00 0.01 0.00 0.00 72.50 71.64 1qf7 s THR 473 CO 0.52 0.25 0.99 -2.65 -0.69 0.00 0.00 174.62 173.03 1qf7 n PRO 474 N 4.79 0.51 -1.55 4.92 -0.02 -1.26 -1.83 135.00 140.56 1qf7 n PRO 474 Ca -0.13 0.23 -0.33 0.00 -2.02 0.00 0.00 63.50 61.25 1qf7 n PRO 474 Cb 0.50 -2.24 0.07 0.00 -0.02 0.00 0.00 33.50 31.81 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 -3.38 2.42 -0.00 0.52 0.04 -1.25 -1.19 135.00 132.15 1qf7 s PRO 475 Ca 0.73 1.53 -0.10 0.00 0.04 0.00 0.00 61.00 63.21 1qf7 s PRO 475 Cb -0.34 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1qf7 s PRO 475 CO 0.50 -1.57 0.44 0.41 0.04 0.00 0.00 177.00 176.82 1qf7 n GLY 476 N -0.16 0.53 0.25 0.56 0.00 -1.26 -4.77 105.19 100.33 1qf7 n GLY 476 Ca 0.12 -0.91 -0.02 0.00 0.00 0.00 0.00 46.02 45.21 1qf7 n GLY 476 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qf7 h PRO 477 N 0.00 0.46 -3.02 1.61 0.14 -1.96 -3.40 132.00 125.83 1qf7 h PRO 477 Ca -0.08 -0.14 -0.14 0.00 0.14 0.00 0.00 66.00 65.79 1qf7 h PRO 477 Cb 0.41 -0.05 -0.23 0.00 0.14 0.00 0.00 31.00 31.27 1qf7 h PRO 477 CO 0.11 0.61 -0.33 -1.59 0.14 0.00 0.00 178.00 176.94 1qf7 s LYS 478 N -4.68 0.49 -1.53 0.86 0.00 -1.26 -4.85 119.74 108.77 1qf7 s LYS 478 Ca -0.07 0.17 -0.03 0.00 0.00 0.00 0.00 55.97 56.04 1qf7 s LYS 478 Cb 0.15 0.22 0.01 0.00 0.00 0.00 0.00 37.83 38.21 1qf7 s LYS 478 CO 0.77 -0.10 0.29 0.54 0.00 0.00 0.00 175.35 176.86 1qf7 n ARG 479 N 2.23 -3.22 -3.21 1.78 5.12 -1.26 -4.98 116.66 113.11 1qf7 n ARG 479 Ca -0.17 0.85 -0.19 0.00 -1.93 0.00 0.00 57.85 56.41 1qf7 n ARG 479 Cb 0.57 -5.59 0.01 0.00 -1.16 0.00 0.00 32.46 26.29 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 -2.38 1.98 0.69 -0.13 0.00 -1.26 -4.95 107.32 101.27 1qf7 s GLY 480 Ca 0.16 -1.79 -0.11 0.00 0.00 0.00 0.00 44.72 42.98 1qf7 s GLY 480 CO 0.20 -1.61 1.06 -0.32 0.00 0.00 0.00 173.10 172.43 1qf7 s GLY 481 N -4.35 1.67 0.14 0.20 0.00 -0.34 -4.75 107.32 99.89 1qf7 s GLY 481 Ca 0.53 0.07 -0.30 0.00 0.00 0.00 0.00 44.72 45.03 1qf7 s GLY 481 CO 0.32 0.38 1.00 -0.12 0.00 0.00 0.00 173.10 174.68 1qf7 s PHE 482 N -3.05 3.76 -0.04 1.90 2.19 -1.26 -3.95 117.98 117.52 1qf7 s PHE 482 Ca 0.58 1.75 -0.01 0.00 0.33 0.00 0.00 56.93 59.57 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 0.55 -0.02 0.03 -2.00 1.83 0.00 0.00 175.22 175.60 1qf7 s GLU 483 N -0.16 0.20 0.45 10.12 2.12 -1.26 -4.94 118.70 125.22 1qf7 s GLU 483 Ca 0.47 0.20 -0.24 0.00 0.36 0.00 0.00 54.97 55.77 1qf7 s GLU 483 Cb -0.25 -0.58 -0.07 0.00 0.26 0.00 0.00 34.13 33.48 1qf7 s GLU 483 CO 0.31 -0.25 1.24 -1.12 -0.54 0.00 0.00 175.26 174.91 1qf7 s SER 484 N 1.65 6.11 0.22 -1.70 0.01 -1.26 -4.95 113.70 113.79 1qf7 s SER 484 Ca -0.01 2.50 -0.32 0.00 1.31 0.00 0.00 55.95 59.43 1qf7 s SER 484 Cb -0.13 -2.62 -0.12 0.00 0.21 0.00 0.00 66.02 63.36 1qf7 s SER 484 CO -0.03 -0.97 1.70 0.00 0.41 0.00 0.00 173.24 174.35 1qf7 n TYR 485 N -0.30 2.77 -1.20 2.43 9.36 -1.26 -4.85 117.16 124.11 1qf7 n TYR 485 Ca 0.06 0.08 -0.35 0.00 3.32 0.00 0.00 57.90 61.01 1qf7 n TYR 485 Cb 0.46 -2.66 -0.02 0.00 -0.63 0.00 0.00 39.34 36.49 1qf7 n TYR 485 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1qf7 n GLN 486 N 3.60 2.94 -1.84 2.98 6.02 -1.26 -4.95 117.38 124.88 1qf7 n GLN 486 Ca 0.15 -2.03 -0.41 0.00 -0.01 0.00 0.00 57.00 54.70 1qf7 n GLN 486 Cb 0.35 -2.79 -0.00 0.00 1.02 0.00 0.00 30.24 28.82 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 2.91 4.08 0.03 -1.09 2.12 -1.26 -4.96 118.70 120.52 1qf7 s GLU 487 Ca 0.57 2.51 -0.30 0.00 0.36 0.00 0.00 54.97 58.11 1qf7 s GLU 487 Cb 0.15 -2.94 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 1qf7 s GLU 487 CO -0.04 -0.53 1.00 0.50 -0.54 0.00 0.00 175.26 175.64 1qf7 s ARG 488 N -2.11 4.57 -0.13 4.30 6.06 -1.26 -5.04 118.95 125.34 1qf7 s ARG 488 Ca 0.53 1.46 0.01 0.00 -2.50 0.00 0.00 55.73 55.24 1qf7 s ARG 488 Cb -0.45 -3.43 -0.00 0.00 0.06 0.00 0.00 34.95 31.12 1qf7 s ARG 488 CO 0.61 -0.03 -0.18 0.08 -2.50 0.00 0.00 175.30 173.29 1qf7 s VAL 489 N 0.83 2.56 -0.20 7.11 1.01 -1.26 -5.12 120.40 125.34 1qf7 s VAL 489 Ca 0.52 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 1qf7 s VAL 489 Cb -0.22 -2.05 0.08 0.00 0.00 0.00 0.00 36.38 34.19 1qf7 s VAL 489 CO 0.29 0.53 0.46 -1.61 0.00 0.00 0.00 175.10 174.77 1qf7 s GLU 490 N 0.52 0.41 0.00 2.72 2.02 -1.26 -5.15 118.70 117.96 1qf7 s GLU 490 Ca -0.11 0.98 0.00 0.00 0.02 0.00 0.00 54.97 55.86 1qf7 s GLU 490 Cb -0.16 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.27 1qf7 s GLU 490 CO 0.04 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.54 1qf7 n GLY 491 N 4.82 -2.47 3.94 -1.39 0.00 -1.26 -5.16 105.19 103.67 1qf7 n GLY 491 Ca -0.16 -1.30 -0.20 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.25 5.69 -0.45 1.61 -0.87 -1.26 -5.02 114.94 113.39 1qf7 s ASN 492 Ca 0.00 -0.32 -0.28 0.00 -1.57 0.00 0.00 52.86 50.70 1qf7 s ASN 492 Cb 0.00 -1.12 -0.02 0.00 -0.02 0.00 0.00 41.25 40.09 1qf7 s ASN 492 CO 0.00 -0.41 1.83 -0.54 -2.57 0.00 0.00 177.10 175.41 1qf7 s LYS 493 N -4.10 3.01 0.02 -0.60 1.02 -1.26 -4.97 119.74 112.86 1qf7 s LYS 493 Ca 0.43 1.07 0.03 0.00 0.02 0.00 0.00 55.97 57.53 1qf7 s LYS 493 Cb -0.08 -4.28 -0.02 0.00 -0.52 0.00 0.00 37.83 32.93 1qf7 s LYS 493 CO 0.29 -2.25 -0.09 0.14 -0.92 0.00 0.00 175.35 172.52 1qf7 s VAL 494 N 7.92 0.71 -0.86 3.17 -7.23 -1.26 -5.07 120.40 117.78 1qf7 s VAL 494 Ca 0.74 -0.71 -0.16 0.00 -1.81 0.00 0.00 61.98 60.04 1qf7 s VAL 494 Cb -0.18 -0.66 0.17 0.00 0.56 0.00 0.00 36.38 36.27 1qf7 s VAL 494 CO 0.28 -0.03 0.93 -0.13 -0.31 0.00 0.00 175.10 175.84 1qf7 s ARG 495 N -0.82 3.57 -0.14 4.82 0.52 -1.26 -5.01 118.95 120.64 1qf7 s ARG 495 Ca -0.01 -2.08 -0.11 0.00 -0.52 0.00 0.00 55.73 53.00 1qf7 s ARG 495 Cb -0.06 -4.64 0.04 0.00 0.52 0.00 0.00 34.95 30.80 1qf7 s ARG 495 CO 0.00 -1.53 0.35 -2.00 0.02 0.00 0.00 175.30 172.15 1qf7 s GLU 496 N 1.45 0.39 0.09 3.54 2.12 -1.26 -5.14 118.70 119.90 1qf7 s GLU 496 Ca 0.24 0.54 -0.30 0.00 0.36 0.00 0.00 54.97 55.81 1qf7 s GLU 496 Cb -0.08 0.14 -0.06 0.00 0.26 0.00 0.00 34.13 34.39 1qf7 s GLU 496 CO -0.08 -0.08 1.12 0.50 -0.54 0.00 0.00 175.26 176.18 1qf7 s ARG 497 N 0.46 4.52 0.32 4.30 6.06 -1.26 -4.99 118.95 128.36 1qf7 s ARG 497 Ca -0.02 1.68 -0.29 0.00 -2.50 0.00 0.00 55.73 54.60 1qf7 s ARG 497 Cb -0.04 -3.34 -0.11 0.00 0.06 0.00 0.00 34.95 31.51 1qf7 s ARG 497 CO -0.02 -0.10 1.57 0.45 -2.50 0.00 0.00 175.30 174.70 1qf7 s SER 498 N 0.62 6.34 0.52 -2.12 0.15 -1.26 -4.86 113.70 113.09 1qf7 s SER 498 Ca 0.54 3.01 0.17 0.00 0.70 0.00 0.00 55.95 60.37 1qf7 s SER 498 Cb -0.28 -2.65 1.27 0.00 -1.71 0.00 0.00 66.02 62.66 1qf7 s SER 498 CO 0.31 -0.92 2.11 -0.65 1.20 0.00 0.00 173.24 175.29 1qf7 h PRO 499 N 4.25 0.03 0.00 5.44 0.11 -2.00 -0.77 132.00 139.07 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 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1qf7 h PRO 499 CO 0.75 0.02 0.00 0.66 -0.21 0.00 0.00 178.00 179.22 1qf7 h SER 500 N 0.03 0.00 0.53 -2.05 4.64 -2.03 -1.01 113.55 113.66 1qf7 h SER 500 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1qf7 h SER 500 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1qf7 h SER 500 CO -0.00 0.00 -0.29 0.49 -0.87 0.00 0.00 176.83 176.16 1qf7 n PHE 501 N -2.37 0.00 -1.24 4.77 3.01 -0.29 -4.33 117.46 117.01 1qf7 n PHE 501 Ca 0.01 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.27 1qf7 n PHE 501 Cb 0.20 -0.27 -0.11 0.00 -0.01 0.00 0.00 39.48 39.29 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 1.43 3.66 2.70 1.37 0.00 -0.38 -4.77 105.19 109.20 1qf7 n GLY 502 Ca 0.09 -1.51 -0.19 0.00 0.00 0.00 0.00 46.02 44.41 1qf7 n GLY 502 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qf7 s GLU 503 N 0.02 -0.02 0.00 1.61 -6.30 -1.26 -5.06 118.70 107.69 1qf7 s GLU 503 Ca 0.64 0.32 0.00 0.00 -2.50 0.00 0.00 54.97 53.43 1qf7 s GLU 503 Cb 0.33 -0.49 0.00 0.00 0.00 0.00 0.00 34.13 33.96 1qf7 s GLU 503 CO -0.09 -0.29 0.00 0.66 0.02 0.00 0.00 175.26 175.56 1qf7 n TYR 504 N 5.06 0.00 -0.00 5.30 4.01 -1.26 -4.86 117.16 125.40 1qf7 n TYR 504 Ca -0.08 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.69 1qf7 n TYR 504 Cb 0.50 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.48 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 -0.99 0.00 -0.10 -0.72 4.01 -1.26 -4.58 117.16 113.52 1qf7 n TYR 505 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 1qf7 n TYR 505 Cb 0.00 -0.16 0.10 0.00 -0.31 0.00 0.00 39.34 38.97 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 0.80 -0.17 7.72 4.64 -1.89 -1.57 113.55 123.07 1qf7 h SER 506 Ca -0.00 -0.27 -0.09 0.00 -0.47 0.00 0.00 61.79 60.97 1qf7 h SER 506 Cb 0.32 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1qf7 h SER 506 CO 0.00 0.96 -0.23 0.45 -0.87 0.00 0.00 176.83 177.14 1qf7 h HIS 507 N 0.71 0.57 -0.78 4.77 3.86 -1.91 -1.24 115.15 121.13 1qf7 h HIS 507 Ca 0.11 -0.19 0.14 0.00 -1.16 0.00 0.00 60.37 59.27 1qf7 h HIS 507 Cb 0.67 -0.11 -0.09 0.00 1.06 0.00 0.00 27.41 28.93 1qf7 h HIS 507 CO 0.04 0.87 0.35 -1.35 0.86 0.00 0.00 177.93 178.69 1qf7 h PRO 508 N 0.11 0.49 -0.31 2.45 0.11 -1.80 0.18 132.00 133.22 1qf7 h PRO 508 Ca 0.02 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 1qf7 h PRO 508 Cb 0.80 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 1qf7 h PRO 508 CO 0.06 0.32 -0.33 -0.09 -0.21 0.00 0.00 178.00 177.75 1qf7 h ARG 509 N 0.50 0.68 -0.67 1.05 2.43 -1.09 -1.45 114.38 115.83 1qf7 h ARG 509 Ca 0.43 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1qf7 h ARG 509 Cb 0.64 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 1qf7 h ARG 509 CO -0.39 0.91 0.20 1.25 -1.51 0.00 0.00 179.97 180.44 1qf7 h LEU 510 N 0.57 0.98 -0.29 3.80 5.85 -0.04 -0.66 115.31 125.52 1qf7 h LEU 510 Ca 0.06 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1qf7 h LEU 510 Cb 0.84 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1qf7 h LEU 510 CO 0.07 0.93 0.11 0.15 -0.34 0.00 0.00 178.44 179.37 1qf7 h PHE 511 N 0.98 0.45 -0.25 1.25 3.57 -0.86 -2.61 116.94 119.46 1qf7 h PHE 511 Ca 0.22 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.70 1qf7 h PHE 511 Cb 0.31 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1qf7 h PHE 511 CO 0.02 0.45 0.09 2.35 -2.23 0.00 0.00 178.31 178.99 1qf7 h TRP 512 N 0.32 0.17 0.00 0.41 2.91 -0.71 -2.52 115.95 116.53 1qf7 h TRP 512 Ca 0.10 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.13 1qf7 h TRP 512 Cb 0.19 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 28.80 1qf7 h TRP 512 CO -0.00 0.08 0.00 -0.07 -1.03 0.00 0.00 178.44 177.42 1qf7 h LEU 513 N 0.22 0.00 -0.06 0.65 3.38 -1.09 -2.40 115.31 116.01 1qf7 h LEU 513 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1qf7 h LEU 513 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1qf7 h LEU 513 CO -0.11 0.00 -0.32 -1.20 0.09 0.00 0.00 178.44 176.91 1qf7 n SER 514 N -2.83 0.41 -4.84 -0.43 7.64 -0.96 -4.86 113.62 107.76 1qf7 n SER 514 Ca 0.01 -0.14 -0.33 0.00 1.01 0.00 0.00 58.87 59.42 1qf7 n SER 514 Cb 0.28 0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.44 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 -2.91 4.08 0.99 1.43 -1.52 -0.90 -4.24 119.66 116.59 1qf7 s GLN 515 Ca 0.15 0.85 -0.12 0.00 -1.95 0.00 0.00 55.36 54.29 1qf7 s GLN 515 Cb 0.18 -2.32 0.18 0.00 -0.22 0.00 0.00 33.01 30.84 1qf7 s GLN 515 CO 0.62 0.06 1.08 0.95 -0.25 0.00 0.00 175.29 177.75 1qf7 s THR 516 N -2.10 2.27 0.22 -0.19 -4.23 -1.26 -4.77 115.64 105.57 1qf7 s THR 516 Ca 0.57 0.09 -0.09 0.00 -1.18 0.00 0.00 61.69 61.09 1qf7 s THR 516 Cb -0.10 -2.48 0.17 0.00 1.34 0.00 0.00 72.50 71.43 1qf7 s THR 516 CO 0.17 -0.11 1.85 -0.65 -0.54 0.00 0.00 174.62 175.33 1qf7 h PRO 517 N -1.91 0.88 -0.12 3.99 0.11 -1.97 -0.79 132.00 132.19 1qf7 h PRO 517 Ca -0.54 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.42 1qf7 h PRO 517 Cb 1.31 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1qf7 h PRO 517 CO 0.55 0.58 -0.37 0.27 -0.21 0.00 0.00 178.00 178.82 1qf7 h PHE 518 N 0.90 0.30 -0.44 0.65 -5.15 -1.96 -1.66 116.94 109.58 1qf7 h PHE 518 Ca 0.31 -0.07 -0.08 0.00 -0.20 0.00 0.00 57.97 57.92 1qf7 h PHE 518 Cb 0.06 -0.07 -0.02 0.00 0.22 0.00 0.00 35.95 36.14 1qf7 h PHE 518 CO -0.04 0.60 -0.07 0.93 -2.00 0.00 0.00 178.31 177.73 1qf7 h GLU 519 N 0.22 0.77 -0.74 6.09 5.08 -1.67 -1.39 114.58 122.93 1qf7 h GLU 519 Ca 0.02 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1qf7 h GLU 519 Cb 0.76 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1qf7 h GLU 519 CO 0.06 0.82 0.29 1.96 -1.00 0.00 0.00 179.01 181.14 1qf7 h GLN 520 N 0.70 1.12 -0.64 2.33 4.20 -0.78 -0.67 115.11 121.37 1qf7 h GLN 520 Ca 0.13 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 1qf7 h GLN 520 Cb 0.54 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1qf7 h GLN 520 CO 0.03 0.92 0.11 -0.09 -0.67 0.00 0.00 178.83 179.12 1qf7 h ARG 521 N 1.07 1.06 -0.65 1.46 2.43 -0.99 0.43 114.38 119.19 1qf7 h ARG 521 Ca 0.25 -0.28 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1qf7 h ARG 521 Cb 0.22 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1qf7 h ARG 521 CO -0.02 0.98 0.18 0.45 -1.51 0.00 0.00 179.97 180.05 1qf7 h HIS 522 N 0.97 1.04 -0.24 2.20 3.86 -0.68 0.63 115.15 122.92 1qf7 h HIS 522 Ca 0.19 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1qf7 h HIS 522 Cb 0.43 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1qf7 h HIS 522 CO 0.03 0.84 0.11 0.82 0.86 0.00 0.00 177.93 180.60 1qf7 h ILE 523 N 0.97 1.15 -0.26 2.45 2.04 -0.77 0.06 117.51 123.15 1qf7 h ILE 523 Ca 0.21 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.68 1qf7 h ILE 523 Cb 0.31 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 1qf7 h ILE 523 CO -0.00 0.15 -0.04 0.58 0.00 0.00 0.00 178.15 178.83 1qf7 h VAL 524 N 0.26 0.77 -0.34 1.67 2.07 -0.45 -2.09 116.25 118.13 1qf7 h VAL 524 Ca 0.08 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.54 1qf7 h VAL 524 Cb 0.14 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1qf7 h VAL 524 CO -0.01 0.00 -0.02 0.44 0.02 0.00 0.00 177.57 178.00 1qf7 h ASP 525 N 0.02 0.51 0.58 0.57 3.32 -0.63 -0.31 116.42 120.48 1qf7 h ASP 525 Ca 0.12 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1qf7 h ASP 525 Cb 0.18 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.60 1qf7 h ASP 525 CO -0.25 0.59 -0.28 1.23 -1.72 0.00 0.00 179.24 178.82 1qf7 h GLY 526 N 0.86 -0.82 0.79 2.75 0.00 -0.43 0.45 103.07 106.68 1qf7 h GLY 526 Ca 0.11 0.30 0.08 0.00 0.00 0.00 0.00 47.33 47.82 1qf7 h GLY 526 CO 0.01 -0.30 0.58 0.74 0.00 0.00 0.00 176.54 177.57 1qf7 h PHE 527 N -0.81 0.98 -0.25 5.60 0.04 -1.27 -0.79 116.94 120.44 1qf7 h PHE 527 Ca -0.08 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.57 1qf7 h PHE 527 Cb 0.61 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 1qf7 h PHE 527 CO -0.03 0.48 -0.39 0.77 -0.60 0.00 0.00 178.31 178.54 1qf7 h SER 528 N 0.94 0.78 0.25 2.17 0.02 -0.52 -0.53 113.55 116.66 1qf7 h SER 528 Ca 0.40 -0.52 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1qf7 h SER 528 Cb 0.31 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1qf7 h SER 528 CO -0.16 1.15 -0.12 0.15 -1.14 0.00 0.00 176.83 176.71 1qf7 h PHE 529 N 0.44 -0.32 0.01 3.45 3.04 -0.68 -1.21 116.94 121.68 1qf7 h PHE 529 Ca 0.02 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.97 1qf7 h PHE 529 Cb 0.99 0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.59 1qf7 h PHE 529 CO 0.08 -0.12 -0.04 0.93 -2.02 0.00 0.00 178.31 177.14 1qf7 h GLU 530 N -0.44 -0.07 0.00 1.11 5.08 -1.05 -2.20 114.58 117.01 1qf7 h GLU 530 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1qf7 h GLU 530 Cb 0.33 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1qf7 h GLU 530 CO 0.06 -0.05 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.83 1qf7 h LEU 531 N -0.08 0.00 -2.25 1.33 3.38 -1.11 -0.19 115.31 116.40 1qf7 h LEU 531 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1qf7 h LEU 531 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1qf7 h LEU 531 CO -0.03 0.12 -0.02 0.77 0.09 0.00 0.00 178.44 179.36 1qf7 h SER 532 N 0.00 0.00 -0.04 -0.43 4.64 -0.56 -1.27 113.55 115.89 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 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1qf7 h SER 532 CO 0.01 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 1qf7 n LYS 533 N -3.20 1.85 -2.75 4.77 4.76 -0.09 -4.76 118.16 118.74 1qf7 n LYS 533 Ca -0.02 -1.24 -0.43 0.00 -2.87 0.00 0.00 58.31 53.75 1qf7 n LYS 533 Cb 0.18 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.87 1qf7 n LYS 533 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1qf7 s VAL 534 N -1.97 4.48 0.07 -0.18 1.01 -0.48 -4.48 120.40 118.85 1qf7 s VAL 534 Ca 0.35 1.18 -0.22 0.00 0.00 0.00 0.00 61.98 63.29 1qf7 s VAL 534 Cb 0.21 -4.42 -0.13 0.00 0.00 0.00 0.00 36.38 32.04 1qf7 s VAL 534 CO 0.32 -0.68 1.57 0.58 0.00 0.00 0.00 175.10 176.89 1qf7 h VAL 535 N 5.94 1.18 -3.31 2.92 2.07 -1.86 -3.42 116.25 119.78 1qf7 h VAL 535 Ca -0.23 -0.55 -0.57 0.00 0.82 0.00 0.00 66.70 66.18 1qf7 h VAL 535 Cb 1.07 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 1qf7 h VAL 535 CO 1.03 0.16 1.03 -0.13 0.02 0.00 0.00 177.57 179.68 1qf7 s ARG 536 N -5.37 3.67 0.40 1.57 0.52 -1.26 -4.96 118.95 113.51 1qf7 s ARG 536 Ca -0.14 0.96 0.07 0.00 -0.52 0.00 0.00 55.73 56.10 1qf7 s ARG 536 Cb 0.06 -3.98 0.82 0.00 0.52 0.00 0.00 34.95 32.37 1qf7 s ARG 536 CO 0.69 -1.44 2.01 -1.35 0.02 0.00 0.00 175.30 175.23 1qf7 h PRO 537 N 10.20 0.48 -0.05 3.54 0.11 -1.99 -2.19 132.00 142.10 1qf7 h PRO 537 Ca -0.27 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1qf7 h PRO 537 Cb 1.10 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1qf7 h PRO 537 CO 1.08 0.38 -0.03 0.10 -0.21 0.00 0.00 178.00 179.32 1qf7 h TYR 538 N 0.49 0.07 -0.35 0.65 -0.00 -1.97 -0.84 116.97 115.03 1qf7 h TYR 538 Ca 0.13 -0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.80 1qf7 h TYR 538 Cb 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 36.73 36.75 1qf7 h TYR 538 CO 0.00 0.11 0.02 0.82 -0.00 0.00 0.00 178.16 179.12 1qf7 h ILE 539 N 0.07 1.25 -0.55 -0.90 2.04 -1.80 -0.22 117.51 117.39 1qf7 h ILE 539 Ca 0.02 -0.92 0.05 0.00 1.00 0.00 0.00 64.86 65.01 1qf7 h ILE 539 Cb 0.11 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1qf7 h ILE 539 CO 0.01 0.31 0.27 0.03 0.00 0.00 0.00 178.15 178.76 1qf7 h ARG 540 N 0.42 0.51 -0.02 2.37 3.08 -1.24 -1.38 114.38 118.11 1qf7 h ARG 540 Ca 0.10 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.13 1qf7 h ARG 540 Cb 0.42 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1qf7 h ARG 540 CO 0.01 0.34 -0.02 0.93 -1.07 0.00 0.00 179.97 180.16 1qf7 h GLU 541 N 0.52 -0.03 -0.78 0.04 4.39 -1.13 -0.98 114.58 116.62 1qf7 h GLU 541 Ca 0.25 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.98 1qf7 h GLU 541 Cb 0.18 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 1qf7 h GLU 541 CO -0.18 -0.02 0.51 0.00 -1.16 0.00 0.00 179.01 178.16 1qf7 h ARG 542 N -0.03 0.94 -0.43 2.33 3.08 -0.61 -1.38 114.38 118.28 1qf7 h ARG 542 Ca 0.02 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 1qf7 h ARG 542 Cb 0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1qf7 h ARG 542 CO -0.04 0.62 -0.31 0.28 -1.07 0.00 0.00 179.97 179.45 1qf7 h VAL 543 N 0.96 1.27 -0.79 2.04 2.07 -0.89 -2.62 116.25 118.29 1qf7 h VAL 543 Ca 0.31 -1.48 0.03 0.00 0.82 0.00 0.00 66.70 66.37 1qf7 h VAL 543 Cb 0.03 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1qf7 h VAL 543 CO -0.09 0.50 0.50 0.58 0.02 0.00 0.00 177.57 179.09 1qf7 h VAL 544 N 0.81 1.12 -0.82 2.57 2.07 -0.58 -0.34 116.25 121.07 1qf7 h VAL 544 Ca 0.08 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1qf7 h VAL 544 Cb 0.90 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1qf7 h VAL 544 CO 0.08 0.18 0.53 -0.78 0.02 0.00 0.00 177.57 177.61 1qf7 h ASP 545 N 0.98 0.95 -0.38 0.57 3.58 -1.19 -0.79 116.42 120.13 1qf7 h ASP 545 Ca 0.31 -0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.65 1qf7 h ASP 545 Cb 0.01 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 1qf7 h ASP 545 CO -0.11 0.70 -0.06 1.56 -2.88 0.00 0.00 179.24 178.45 1qf7 h GLN 546 N 1.11 0.81 -0.43 0.28 1.08 -0.89 -2.61 115.11 114.46 1qf7 h GLN 546 Ca 0.30 -0.25 -0.07 0.00 -1.45 0.00 0.00 58.65 57.18 1qf7 h GLN 546 Cb -0.11 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.22 1qf7 h GLN 546 CO -0.06 0.85 -0.02 -0.07 -0.95 0.00 0.00 178.83 178.58 1qf7 h LEU 547 N 0.74 0.68 -1.77 1.46 3.38 -0.18 -2.10 115.31 117.51 1qf7 h LEU 547 Ca 0.13 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1qf7 h LEU 547 Cb 0.53 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1qf7 h LEU 547 CO 0.03 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.32 1qf7 h ALA 548 N 1.32 1.00 0.00 1.53 0.00 -0.78 0.12 119.26 122.45 1qf7 h ALA 548 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1qf7 h ALA 548 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1qf7 h ALA 548 CO 0.02 0.00 -0.26 0.72 0.00 0.00 0.00 179.25 179.73 1qf7 n HIS 549 N -2.56 0.06 -0.12 0.00 8.25 -0.79 -4.20 115.22 115.86 1qf7 n HIS 549 Ca -0.01 0.02 -0.21 0.00 -0.26 0.00 0.00 57.72 57.26 1qf7 n HIS 549 Cb 0.10 -0.41 -0.07 0.00 1.12 0.00 0.00 29.99 30.73 1qf7 n HIS 549 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1qf7 n ILE 550 N -1.56 1.52 -3.64 1.59 5.41 0.35 -4.25 119.36 118.79 1qf7 n ILE 550 Ca 0.06 -0.15 -0.07 0.00 1.00 0.00 0.00 62.75 63.59 1qf7 n ILE 550 Cb 0.35 -2.09 -0.07 0.00 -0.71 0.00 0.00 39.64 37.12 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 -6.80 -0.68 0.18 4.38 2.15 -0.72 -4.61 116.67 110.55 1qf7 s ASP 551 Ca -0.34 1.16 -0.01 0.00 0.43 0.00 0.00 52.55 53.79 1qf7 s ASP 551 Cb 0.10 1.25 0.06 0.00 -0.30 0.00 0.00 42.92 44.03 1qf7 s ASP 551 CO 0.46 -0.19 1.43 -0.07 -0.17 0.00 0.00 175.17 176.63 1qf7 h LEU 552 N 5.88 0.44 -0.30 -1.34 4.07 -1.82 -1.66 115.31 120.58 1qf7 h LEU 552 Ca -0.29 -0.30 -0.02 0.00 0.08 0.00 0.00 57.88 57.35 1qf7 h LEU 552 Cb 1.20 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 1qf7 h LEU 552 CO 0.15 1.04 0.11 0.74 -1.08 0.00 0.00 178.44 179.39 1qf7 h THR 553 N 0.25 1.19 0.26 0.22 2.02 -1.97 0.74 112.91 115.61 1qf7 h THR 553 Ca -0.03 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 1qf7 h THR 553 Cb 1.32 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1qf7 h THR 553 CO 0.13 0.20 -0.13 0.25 0.37 0.00 0.00 175.52 176.34 1qf7 h LEU 554 N 0.34 -0.32 -0.70 2.58 5.85 -1.92 -2.14 115.31 118.99 1qf7 h LEU 554 Ca 0.10 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1qf7 h LEU 554 Cb 0.21 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1qf7 h LEU 554 CO -0.01 -0.22 0.42 0.00 -0.34 0.00 0.00 178.44 178.29 1qf7 h ALA 555 N 0.37 0.94 -0.12 1.25 0.00 -1.13 -2.19 119.26 118.38 1qf7 h ALA 555 Ca -0.03 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1qf7 h ALA 555 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1qf7 h ALA 555 CO 0.05 0.15 -0.53 1.96 0.00 0.00 0.00 179.25 180.88 1qf7 h GLN 556 N 0.80 0.33 -0.34 0.00 4.20 -0.72 -1.45 115.11 117.92 1qf7 h GLN 556 Ca 0.30 -0.20 -0.16 0.00 0.06 0.00 0.00 58.65 58.65 1qf7 h GLN 556 Cb 0.11 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1qf7 h GLN 556 CO -0.15 0.78 -0.43 0.00 -0.67 0.00 0.00 178.83 178.36 1qf7 h ALA 557 N 1.18 0.58 -0.06 3.87 0.00 -1.17 -1.14 119.26 122.53 1qf7 h ALA 557 Ca 0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1qf7 h ALA 557 Cb 1.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1qf7 h ALA 557 CO 0.09 0.68 -0.01 0.28 0.00 0.00 0.00 179.25 180.29 1qf7 h VAL 558 N 0.71 1.27 -0.69 0.00 2.07 -1.33 -2.64 116.25 115.64 1qf7 h VAL 558 Ca 0.05 -0.83 0.14 0.00 0.82 0.00 0.00 66.70 66.87 1qf7 h VAL 558 Cb 1.02 1.70 -0.10 0.00 -1.52 0.00 0.00 31.29 32.39 1qf7 h VAL 558 CO 0.10 0.23 0.16 0.00 0.02 0.00 0.00 177.57 178.08 1qf7 h ALA 559 N 0.70 0.86 -0.45 1.67 0.00 -1.21 -1.06 119.26 119.76 1qf7 h ALA 559 Ca 0.02 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1qf7 h ALA 559 Cb 0.37 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1qf7 h ALA 559 CO 0.00 -0.32 0.24 -0.22 0.00 0.00 0.00 179.25 178.95 1qf7 h LYS 560 N 0.27 0.64 0.00 0.00 3.64 -1.12 0.25 116.57 120.26 1qf7 h LYS 560 Ca 0.38 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1qf7 h LYS 560 Cb 0.61 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1qf7 h LYS 560 CO -0.47 0.52 0.00 -0.91 -2.27 0.00 0.00 179.45 176.33 1qf7 h ASN 561 N 0.59 0.00 -0.38 4.20 2.35 -0.85 -1.79 115.58 119.71 1qf7 h ASN 561 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1qf7 h ASN 561 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1qf7 h ASN 561 CO -0.02 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.94 1qf7 n LEU 562 N -2.81 3.09 -2.92 1.61 4.77 -0.42 -4.96 117.00 115.36 1qf7 n LEU 562 Ca -0.01 -1.73 -0.22 0.00 -0.03 0.00 0.00 56.01 54.01 1qf7 n LEU 562 Cb 0.13 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1qf7 n LEU 562 CO 0.19 0.73 -0.05 0.61 -1.33 0.00 0.00 177.39 177.54 1qf7 n GLY 563 N 0.97 -0.52 3.72 -0.72 0.00 -0.49 -5.00 105.19 103.15 1qf7 n GLY 563 Ca 0.15 0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 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 4.26 -0.17 -0.61 1.01 0.75 -5.00 121.20 118.29 1qf7 s ILE 564 Ca 0.25 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 1qf7 s ILE 564 Cb -0.11 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.37 1qf7 s ILE 564 CO 0.31 0.23 -0.14 -0.70 0.00 0.00 0.00 174.94 174.64 1qf7 s GLU 565 N -2.03 3.19 0.36 2.79 2.56 -1.26 -3.98 118.70 120.33 1qf7 s GLU 565 Ca 0.24 -0.75 -0.27 0.00 0.00 0.00 0.00 54.97 54.20 1qf7 s GLU 565 Cb -0.12 -2.68 -0.09 0.00 2.00 0.00 0.00 34.13 33.24 1qf7 s GLU 565 CO 0.16 -0.08 1.25 -0.51 -0.56 0.00 0.00 175.26 175.52 1qf7 s LEU 566 N 1.06 4.32 0.91 2.70 1.43 -1.26 -5.02 118.68 122.81 1qf7 s LEU 566 Ca -0.01 2.54 -0.14 0.00 -1.03 0.00 0.00 54.13 55.49 1qf7 s LEU 566 Cb -0.15 -3.82 0.15 0.00 0.03 0.00 0.00 46.19 42.41 1qf7 s LEU 566 CO -0.04 -0.62 1.24 0.42 0.23 0.00 0.00 176.35 177.58 1qf7 s THR 567 N -1.25 1.98 0.15 5.49 -4.23 -1.26 -4.88 115.64 111.63 1qf7 s THR 567 Ca 0.53 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.89 1qf7 s THR 567 Cb -0.36 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 70.55 1qf7 s THR 567 CO 0.47 0.00 1.71 0.44 -0.54 0.00 0.00 174.62 176.70 1qf7 h ASP 568 N -1.44 0.62 -0.73 3.99 5.19 -1.99 -1.31 116.42 120.77 1qf7 h ASP 568 Ca -0.46 -0.15 0.06 0.00 -0.62 0.00 0.00 57.03 55.86 1qf7 h ASP 568 Cb 1.29 -0.16 -0.06 0.00 0.18 0.00 0.00 39.33 40.58 1qf7 h ASP 568 CO 0.51 0.61 0.42 0.44 -3.12 0.00 0.00 179.24 178.10 1qf7 h ASP 569 N 0.60 0.62 -0.35 6.45 5.19 -1.97 -2.31 116.42 124.66 1qf7 h ASP 569 Ca 0.16 0.03 -0.09 0.00 -0.62 0.00 0.00 57.03 56.50 1qf7 h ASP 569 Cb 0.17 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.56 1qf7 h ASP 569 CO -0.02 0.39 -0.11 1.56 -3.12 0.00 0.00 179.24 177.95 1qf7 h GLN 570 N 0.76 0.79 0.00 3.56 4.20 -1.80 -2.10 115.11 120.52 1qf7 h GLN 570 Ca 0.33 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1qf7 h GLN 570 Cb 0.21 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1qf7 h GLN 570 CO -0.19 0.87 0.00 -0.07 -0.67 0.00 0.00 178.83 178.77 1qf7 h LEU 571 N 0.71 0.00 -2.44 1.46 3.38 -0.72 -2.29 115.31 115.40 1qf7 h LEU 571 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1qf7 h LEU 571 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1qf7 h LEU 571 CO 0.04 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.16 1qf7 n ASN 572 N -2.39 3.38 -4.69 -0.43 3.02 -0.81 -4.97 115.26 108.37 1qf7 n ASN 572 Ca 0.02 -1.95 -0.42 0.00 -0.03 0.00 0.00 54.58 52.19 1qf7 n ASN 572 Cb 0.23 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 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 -1.25 3.13 0.18 2.41 1.01 -0.86 -4.95 121.20 120.86 1qf7 s ILE 573 Ca 0.37 0.62 -0.31 0.00 0.00 0.00 0.00 60.65 61.32 1qf7 s ILE 573 Cb 0.21 -3.40 -0.09 0.00 0.01 0.00 0.00 42.46 39.19 1qf7 s ILE 573 CO 0.28 0.01 1.45 -0.89 0.00 0.00 0.00 174.94 175.78 1qf7 s THR 574 N 2.35 2.89 0.67 2.92 2.01 -1.26 -4.95 115.64 120.26 1qf7 s THR 574 Ca 0.71 0.68 -0.17 0.00 0.31 0.00 0.00 61.69 63.22 1qf7 s THR 574 Cb -0.39 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 68.70 1qf7 s THR 574 CO 0.31 0.08 1.22 -2.84 -0.69 0.00 0.00 174.62 172.70 1qf7 s PRO 575 N 0.48 2.49 0.91 4.92 0.02 -1.26 -4.95 135.00 137.60 1qf7 s PRO 575 Ca 0.63 1.82 -0.11 0.00 0.02 0.00 0.00 61.00 63.36 1qf7 s PRO 575 Cb -0.40 -1.87 0.14 0.00 0.02 0.00 0.00 34.50 32.39 1qf7 s PRO 575 CO 0.36 -1.58 1.10 -1.25 -0.33 0.00 0.00 177.00 175.29 1qf7 s PRO 576 N -3.66 1.13 0.79 5.54 0.04 -1.26 -5.02 135.00 132.57 1qf7 s PRO 576 Ca 0.76 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 1qf7 s PRO 576 Cb -0.31 -1.78 0.07 0.00 0.04 0.00 0.00 34.50 32.53 1qf7 s PRO 576 CO 0.41 -2.40 1.10 -1.25 0.04 0.00 0.00 177.00 174.89 1qf7 s PRO 577 N -4.80 2.07 0.89 0.56 0.04 -1.26 -4.93 135.00 127.57 1qf7 s PRO 577 Ca 0.64 1.17 -0.10 0.00 0.04 0.00 0.00 61.00 62.75 1qf7 s PRO 577 Cb -0.20 -1.88 0.13 0.00 0.04 0.00 0.00 34.50 32.60 1qf7 s PRO 577 CO 0.58 -1.77 1.13 -0.51 0.04 0.00 0.00 177.00 176.46 1qf7 s ASP 578 N -3.34 3.21 -0.54 6.66 1.01 -1.26 -4.71 116.67 117.70 1qf7 s ASP 578 Ca 0.62 2.06 -0.20 0.00 0.71 0.00 0.00 52.55 55.74 1qf7 s ASP 578 Cb -0.18 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.28 1qf7 s ASP 578 CO 0.56 -2.90 0.70 -0.69 0.21 0.00 0.00 175.17 173.06 1qf7 s VAL 579 N -2.71 4.76 -1.51 -1.27 1.01 -1.20 -4.32 120.40 115.17 1qf7 s VAL 579 Ca 0.65 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 62.07 1qf7 s VAL 579 Cb -0.21 -4.39 0.07 0.00 0.00 0.00 0.00 36.38 31.85 1qf7 s VAL 579 CO 0.58 -0.94 0.82 0.59 0.00 0.00 0.00 175.10 176.14 1qf7 n ASN 580 N 6.48 -3.21 0.00 3.32 4.13 -1.26 -0.54 115.26 124.17 1qf7 n ASN 580 Ca -0.06 -0.86 0.00 0.00 1.68 0.00 0.00 54.58 55.34 1qf7 n ASN 580 Cb 0.45 -3.59 0.00 0.00 -1.54 0.00 0.00 39.78 35.10 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 -1.66 1.79 3.72 7.41 0.00 -1.26 -5.01 105.19 110.18 1qf7 n GLY 581 Ca -0.07 0.00 -0.41 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 4.40 0.00 0.99 1.43 0.29 -4.91 118.68 120.89 1qf7 s LEU 582 Ca 0.00 1.61 0.18 0.00 -1.03 0.00 0.00 54.13 54.90 1qf7 s LEU 582 Cb 0.00 -3.48 0.09 0.00 0.03 0.00 0.00 46.19 42.83 1qf7 s LEU 582 CO 0.00 -0.16 1.03 0.29 0.23 0.00 0.00 176.35 177.74 1qf7 n LYS 583 N 3.49 1.59 0.00 1.70 5.02 -1.26 -3.24 118.16 125.46 1qf7 n LYS 583 Ca 0.03 -1.35 0.00 0.00 -2.02 0.00 0.00 58.31 54.97 1qf7 n LYS 583 Cb 0.50 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 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 0.66 0.00 -3.37 1.97 2.85 -1.26 -4.76 118.16 114.25 1qf7 n LYS 584 Ca 0.10 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.21 1qf7 n LYS 584 Cb 0.44 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.73 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 1.20 0.66 -5.58 -1.08 -1.26 -5.01 116.67 105.59 1qf7 s ASP 585 Ca 0.00 -0.56 0.41 0.00 -0.52 0.00 0.00 52.55 51.88 1qf7 s ASP 585 Cb 0.00 0.72 2.24 0.00 -1.46 0.00 0.00 42.92 44.41 1qf7 s ASP 585 CO 0.00 -0.37 2.26 -0.65 0.52 0.00 0.00 175.17 176.93 1qf7 h PRO 586 N 8.23 0.00 0.00 4.34 0.11 -1.98 -1.18 132.00 141.52 1qf7 h PRO 586 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1qf7 h PRO 586 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1qf7 h PRO 586 CO 0.31 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.97 1qf7 n SER 587 N -3.01 0.45 0.12 -2.05 3.41 -1.26 -2.26 113.62 109.02 1qf7 n SER 587 Ca -0.03 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 1qf7 n SER 587 Cb 0.13 -0.70 0.34 0.00 -0.26 0.00 0.00 64.21 63.72 1qf7 n SER 587 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1qf7 h LEU 588 N 0.00 0.00 -9.93 1.04 3.38 -1.54 -3.45 115.31 104.80 1qf7 h LEU 588 Ca 0.00 -0.02 -0.51 0.00 0.09 0.00 0.00 57.88 57.44 1qf7 h LEU 588 Cb 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1qf7 h LEU 588 CO 0.00 0.01 0.06 -0.55 0.09 0.00 0.00 178.44 178.05 1qf7 s SER 589 N -4.78 6.87 0.18 -0.43 0.15 -0.96 -4.91 113.70 109.81 1qf7 s SER 589 Ca 0.10 1.27 -0.05 0.00 0.70 0.00 0.00 55.95 57.97 1qf7 s SER 589 Cb 0.11 -2.36 0.09 0.00 -1.71 0.00 0.00 66.02 62.15 1qf7 s SER 589 CO 0.62 -0.07 1.51 -0.07 1.20 0.00 0.00 173.24 176.43 1qf7 h LEU 590 N 2.85 0.72 0.00 3.45 3.38 -1.88 -3.41 115.31 120.42 1qf7 h LEU 590 Ca -0.48 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1qf7 h LEU 590 Cb 1.18 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1qf7 h LEU 590 CO 0.66 1.08 -0.27 -1.22 0.09 0.00 0.00 178.44 178.78 1qf7 n TYR 591 N -4.00 0.00 -0.34 1.13 4.01 -1.26 -4.75 117.16 111.95 1qf7 n TYR 591 Ca -0.03 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.73 1qf7 n TYR 591 Cb 0.58 -0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.78 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 0.01 1.40 -2.88 -0.72 0.00 -1.86 -3.35 119.26 111.86 1qf7 h ALA 592 Ca 0.00 -0.04 -0.69 0.00 0.00 0.00 0.00 54.91 54.18 1qf7 h ALA 592 Cb 0.00 -0.33 -0.24 0.00 0.00 0.00 0.00 17.79 17.22 1qf7 h ALA 592 CO 0.00 0.49 -0.55 0.42 0.00 0.00 0.00 179.25 179.62 1qf7 s ILE 593 N -6.01 4.44 0.14 0.00 1.01 -1.26 -5.06 121.20 114.46 1qf7 s ILE 593 Ca -0.12 -0.74 -0.34 0.00 0.00 0.00 0.00 60.65 59.44 1qf7 s ILE 593 Cb 0.19 -3.40 -0.16 0.00 0.01 0.00 0.00 42.46 39.10 1qf7 s ILE 593 CO 0.81 -0.11 1.34 -0.81 0.00 0.00 0.00 174.94 176.17 1qf7 n PRO 594 N 4.96 1.43 -1.10 2.79 -0.04 -1.26 -4.87 135.00 136.91 1qf7 n PRO 594 Ca -0.13 0.51 -0.01 0.00 -0.04 0.00 0.00 63.50 63.84 1qf7 n PRO 594 Cb 0.47 -2.14 -0.02 0.00 -0.04 0.00 0.00 33.50 31.77 1qf7 n PRO 594 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1qf7 n ASP 595 N 2.49 0.06 -4.76 3.54 5.75 -1.26 -5.12 116.55 117.24 1qf7 n ASP 595 Ca 0.16 -1.90 -0.39 0.00 -0.01 0.00 0.00 54.79 52.65 1qf7 n ASP 595 Cb 0.24 -0.04 0.01 0.00 -1.03 0.00 0.00 41.12 40.30 1qf7 n ASP 595 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1qf7 s GLY 596 N -1.32 2.90 -0.17 6.12 0.00 -1.25 -3.94 107.32 109.65 1qf7 s GLY 596 Ca 0.14 1.29 -0.04 0.00 0.00 0.00 0.00 44.72 46.11 1qf7 s GLY 596 CO -0.07 1.86 0.24 -0.35 0.00 0.00 0.00 173.10 174.77 1qf7 s ASP 597 N -0.78 0.90 0.36 1.64 -1.08 -1.26 -4.94 116.67 111.52 1qf7 s ASP 597 Ca 0.62 0.13 0.25 0.00 -0.52 0.00 0.00 52.55 53.03 1qf7 s ASP 597 Cb -0.39 0.52 0.69 0.00 -1.46 0.00 0.00 42.92 42.28 1qf7 s ASP 597 CO 0.49 -0.29 1.72 -0.37 0.52 0.00 0.00 175.17 177.25 1qf7 h VAL 598 N 6.30 0.00 -2.68 1.11 -1.51 -1.89 -3.46 116.25 114.13 1qf7 h VAL 598 Ca -0.16 -0.69 -0.53 0.00 -1.23 0.00 0.00 66.70 64.09 1qf7 h VAL 598 Cb 1.14 1.67 0.03 0.00 -2.13 0.00 0.00 31.29 31.99 1qf7 h VAL 598 CO 0.22 0.00 1.00 -0.75 -1.23 0.00 0.00 177.57 176.81 1qf7 s LYS 599 N -3.24 4.19 0.00 5.19 2.20 -1.25 -1.30 119.74 125.53 1qf7 s LYS 599 Ca 0.07 2.40 0.00 0.00 -0.36 0.00 0.00 55.97 58.08 1qf7 s LYS 599 Cb 0.08 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1qf7 s LYS 599 CO 0.60 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 1qf7 n GLY 600 N 4.00 1.36 3.79 5.54 0.00 -0.13 -4.97 105.19 114.78 1qf7 n GLY 600 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.90 1.25 0.00 1.61 1.81 -0.42 -4.82 118.95 117.49 1qf7 s ARG 601 Ca 0.00 0.33 0.00 0.00 -1.72 0.00 0.00 55.73 54.35 1qf7 s ARG 601 Cb 0.00 -1.85 -0.01 0.00 -0.45 0.00 0.00 34.95 32.65 1qf7 s ARG 601 CO 0.00 -2.13 -0.02 0.54 -0.68 0.00 0.00 175.30 173.01 1qf7 s VAL 602 N -3.26 0.14 -0.02 3.52 0.11 -1.26 -1.11 120.40 118.52 1qf7 s VAL 602 Ca 0.63 -0.24 0.05 0.00 -2.93 0.00 0.00 61.98 59.50 1qf7 s VAL 602 Cb -0.15 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 1qf7 s VAL 602 CO 0.53 -0.06 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.37 1qf7 s VAL 603 N -0.31 2.77 -0.01 2.04 1.01 0.60 -0.54 120.40 125.96 1qf7 s VAL 603 Ca -0.02 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 60.81 1qf7 s VAL 603 Cb -0.02 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1qf7 s VAL 603 CO -0.00 0.53 0.69 0.00 0.00 0.00 0.00 175.10 176.33 1qf7 s ALA 604 N -0.75 3.39 -0.27 5.51 0.00 -0.64 -0.56 121.76 128.45 1qf7 s ALA 604 Ca 0.12 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 1qf7 s ALA 604 Cb -0.10 -2.91 0.03 0.00 0.00 0.00 0.00 23.12 20.14 1qf7 s ALA 604 CO 0.01 0.04 -0.03 0.42 0.00 0.00 0.00 175.76 176.20 1qf7 s ILE 605 N 0.20 3.03 -0.59 0.00 1.01 0.23 -0.32 121.20 124.75 1qf7 s ILE 605 Ca 0.36 -1.10 -0.25 0.00 0.00 0.00 0.00 60.65 59.66 1qf7 s ILE 605 Cb -0.19 -2.60 0.04 0.00 0.01 0.00 0.00 42.46 39.72 1qf7 s ILE 605 CO 0.20 0.09 1.01 -0.76 0.00 0.00 0.00 174.94 175.48 1qf7 s LEU 606 N 1.32 3.96 0.77 2.97 1.43 -0.81 -0.62 118.68 127.70 1qf7 s LEU 606 Ca -0.01 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 1qf7 s LEU 606 Cb -0.18 -2.80 0.05 0.00 0.03 0.00 0.00 46.19 43.30 1qf7 s LEU 606 CO -0.03 -1.35 1.11 -0.76 0.23 0.00 0.00 176.35 175.55 1qf7 s LEU 607 N 4.28 2.66 0.34 1.79 1.43 -0.07 -4.34 118.68 124.77 1qf7 s LEU 607 Ca 0.31 1.13 0.03 0.00 -1.03 0.00 0.00 54.13 54.58 1qf7 s LEU 607 Cb -0.12 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 1qf7 s LEU 607 CO 0.18 -1.75 0.12 0.54 0.23 0.00 0.00 176.35 175.68 1qf7 s ASN 608 N -4.19 2.15 0.00 2.29 2.20 -1.26 -4.81 114.94 111.31 1qf7 s ASN 608 Ca 0.60 -1.55 0.23 0.00 -0.94 0.00 0.00 52.86 51.20 1qf7 s ASN 608 Cb -0.13 0.31 1.35 0.00 -2.00 0.00 0.00 41.25 40.78 1qf7 s ASN 608 CO 0.52 -0.83 1.85 -0.90 -2.94 0.00 0.00 177.10 174.80 1qf7 n ASP 609 N -0.98 0.00 -3.04 3.54 5.68 -1.26 -3.92 116.55 116.57 1qf7 n ASP 609 Ca -0.02 -1.25 -0.16 0.00 -0.50 0.00 0.00 54.79 52.86 1qf7 n ASP 609 Cb 0.65 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.63 1qf7 n ASP 609 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1qf7 n GLU 610 N -0.86 0.89 -1.83 0.11 4.07 -1.26 -4.32 120.64 117.44 1qf7 n GLU 610 Ca 0.17 -2.83 -0.42 0.00 -0.06 0.00 0.00 57.16 54.02 1qf7 n GLU 610 Cb 0.08 -1.41 -0.03 0.00 -0.06 0.00 0.00 31.44 30.02 1qf7 n GLU 610 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1qf7 s VAL 611 N -1.16 2.28 -0.45 6.31 1.01 -1.25 -2.69 120.40 124.45 1qf7 s VAL 611 Ca 0.34 0.21 -0.28 0.00 0.00 0.00 0.00 61.98 62.25 1qf7 s VAL 611 Cb 0.28 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.52 1qf7 s VAL 611 CO -0.10 0.02 1.55 -0.60 0.00 0.00 0.00 175.10 175.97 1qf7 s ARG 612 N 0.64 3.35 0.52 2.72 3.52 -0.53 -1.12 118.95 128.04 1qf7 s ARG 612 Ca 0.69 0.90 0.25 0.00 -0.13 0.00 0.00 55.73 57.44 1qf7 s ARG 612 Cb -0.47 -4.13 1.42 0.00 -1.56 0.00 0.00 34.95 30.21 1qf7 s ARG 612 CO 0.36 -1.85 2.09 0.66 -0.81 0.00 0.00 175.30 175.76 1qf7 h SER 613 N 11.74 0.00 0.09 -2.12 4.64 -1.90 -2.08 113.55 123.92 1qf7 h SER 613 Ca -0.29 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.94 1qf7 h SER 613 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1qf7 h SER 613 CO 1.11 0.11 -0.32 0.00 -0.87 0.00 0.00 176.83 176.86 1qf7 h ALA 614 N 1.89 1.14 0.06 5.18 0.00 -1.99 -1.88 119.26 123.66 1qf7 h ALA 614 Ca -0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1qf7 h ALA 614 Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1qf7 h ALA 614 CO 0.01 0.55 -0.03 -0.44 0.00 0.00 0.00 179.25 179.35 1qf7 h ASP 615 N 0.30 -0.07 -0.52 0.00 3.32 -1.73 -2.72 116.42 115.00 1qf7 h ASP 615 Ca 0.04 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 56.92 1qf7 h ASP 615 Cb 0.71 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 1qf7 h ASP 615 CO 0.05 0.14 0.34 0.25 -1.72 0.00 0.00 179.24 178.30 1qf7 h LEU 616 N -0.27 0.57 -0.12 1.55 6.46 -1.36 0.33 115.31 122.47 1qf7 h LEU 616 Ca -0.01 -0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1qf7 h LEU 616 Cb 0.24 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 1qf7 h LEU 616 CO 0.01 0.41 -0.10 0.25 -0.62 0.00 0.00 178.44 178.40 1qf7 h LEU 617 N 0.68 -0.30 -0.36 2.25 5.85 -1.40 0.15 115.31 122.18 1qf7 h LEU 617 Ca 0.19 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 1qf7 h LEU 617 Cb -0.06 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1qf7 h LEU 617 CO -0.05 -0.13 0.22 0.00 -0.34 0.00 0.00 178.44 178.14 1qf7 h ALA 618 N 0.99 0.46 0.06 1.25 0.00 -1.11 -1.68 119.26 119.23 1qf7 h ALA 618 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1qf7 h ALA 618 Cb 0.22 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1qf7 h ALA 618 CO -0.19 -0.04 -0.05 0.82 0.00 0.00 0.00 179.25 179.79 1qf7 h ILE 619 N 0.47 0.89 -0.48 0.00 2.04 -0.64 -2.65 117.51 117.14 1qf7 h ILE 619 Ca 0.13 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.86 1qf7 h ILE 619 Cb 0.01 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1qf7 h ILE 619 CO -0.02 0.00 -0.20 -0.07 0.00 0.00 0.00 178.15 177.86 1qf7 h LEU 620 N -0.11 0.98 -0.59 1.44 3.38 -0.61 -1.38 115.31 118.42 1qf7 h LEU 620 Ca -0.00 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1qf7 h LEU 620 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1qf7 h LEU 620 CO -0.01 1.14 0.28 0.50 0.09 0.00 0.00 178.44 180.45 1qf7 h LYS 621 N 0.84 0.85 -0.24 1.13 3.64 -1.33 -1.18 116.57 120.28 1qf7 h LYS 621 Ca 0.11 -0.13 -0.17 0.00 -1.27 0.00 0.00 60.65 59.19 1qf7 h LYS 621 Cb 0.76 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1qf7 h LYS 621 CO 0.06 0.69 -0.55 0.00 -2.27 0.00 0.00 179.45 177.39 1qf7 h ALA 622 N 1.12 0.57 -0.76 5.00 0.00 -1.09 -1.83 119.26 122.28 1qf7 h ALA 622 Ca 0.20 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1qf7 h ALA 622 Cb 0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1qf7 h ALA 622 CO -0.02 0.69 0.50 -0.07 0.00 0.00 0.00 179.25 180.34 1qf7 h LEU 623 N 0.56 0.88 -0.76 0.00 3.38 -1.14 -2.66 115.31 115.57 1qf7 h LEU 623 Ca 0.01 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1qf7 h LEU 623 Cb 1.13 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1qf7 h LEU 623 CO 0.11 0.64 0.35 0.50 0.09 0.00 0.00 178.44 180.13 1qf7 h LYS 624 N 1.03 1.11 -0.16 1.13 3.64 -1.13 -1.16 116.57 121.02 1qf7 h LYS 624 Ca 0.28 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1qf7 h LYS 624 Cb -0.11 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.51 1qf7 h LYS 624 CO -0.06 0.88 -0.07 0.00 -2.27 0.00 0.00 179.45 177.92 1qf7 h ALA 625 N 1.17 1.59 -0.63 5.00 0.00 -0.98 -2.18 119.26 123.24 1qf7 h ALA 625 Ca 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1qf7 h ALA 625 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1qf7 h ALA 625 CO -0.03 0.30 0.00 1.63 0.00 0.00 0.00 179.25 181.15 1qf7 n LYS 626 N -4.33 2.51 -2.21 0.00 4.76 -0.77 -4.98 118.16 113.13 1qf7 n LYS 626 Ca -0.01 -2.34 -0.15 0.00 -2.87 0.00 0.00 58.31 52.94 1qf7 n LYS 626 Cb 0.22 -1.51 -0.01 0.00 -1.84 0.00 0.00 35.03 31.89 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 1.54 -0.09 3.75 0.72 0.00 -0.67 -3.85 105.19 106.58 1qf7 n GLY 627 Ca 0.22 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.75 5.24 0.36 1.61 1.01 -0.53 -0.96 120.40 124.38 1qf7 s VAL 628 Ca 0.00 0.68 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 1qf7 s VAL 628 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1qf7 s VAL 628 CO 0.00 0.42 0.58 -1.00 0.00 0.00 0.00 175.10 175.10 1qf7 s HIS 629 N 0.17 3.51 0.15 5.22 3.76 -0.26 -4.08 115.29 123.75 1qf7 s HIS 629 Ca 0.20 0.46 0.09 0.00 -0.15 0.00 0.00 55.06 55.66 1qf7 s HIS 629 Cb -0.14 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.53 1qf7 s HIS 629 CO 0.07 0.07 -0.21 0.00 -0.85 0.00 0.00 174.74 173.83 1qf7 s ALA 630 N -2.34 2.10 -0.11 -1.40 0.00 -1.26 -0.29 121.76 118.45 1qf7 s ALA 630 Ca 0.42 -1.46 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 1qf7 s ALA 630 Cb -0.10 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.80 1qf7 s ALA 630 CO 0.36 0.33 -0.07 -1.59 0.00 0.00 0.00 175.76 174.79 1qf7 s LYS 631 N -2.51 1.51 -0.43 0.00 -2.85 0.28 -4.90 119.74 110.83 1qf7 s LYS 631 Ca 0.14 -0.25 -0.29 0.00 -1.00 0.00 0.00 55.97 54.58 1qf7 s LYS 631 Cb -0.08 -1.57 0.02 0.00 -2.06 0.00 0.00 37.83 34.14 1qf7 s LYS 631 CO 0.07 -0.26 1.21 -0.51 0.10 0.00 0.00 175.35 175.96 1qf7 s LEU 632 N 1.70 3.67 0.12 2.77 1.43 -1.26 -0.60 118.68 126.51 1qf7 s LEU 632 Ca 0.05 0.66 0.06 0.00 -1.03 0.00 0.00 54.13 53.87 1qf7 s LEU 632 Cb -0.13 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1qf7 s LEU 632 CO -0.08 -1.25 -0.01 -0.76 0.23 0.00 0.00 176.35 174.47 1qf7 s LEU 633 N 4.63 3.35 0.34 1.79 1.43 0.21 -0.78 118.68 129.65 1qf7 s LEU 633 Ca 0.52 -0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 53.25 1qf7 s LEU 633 Cb -0.10 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 44.08 1qf7 s LEU 633 CO 0.30 0.14 0.56 -0.47 0.23 0.00 0.00 176.35 177.12 1qf7 s TYR 634 N -1.44 0.66 -1.42 0.29 5.04 -0.99 -0.89 117.35 118.60 1qf7 s TYR 634 Ca 0.26 -1.04 0.29 0.00 -2.44 0.00 0.00 57.07 54.13 1qf7 s TYR 634 Cb -0.11 0.23 1.44 0.00 0.35 0.00 0.00 41.96 43.87 1qf7 s TYR 634 CO 0.18 -1.23 1.99 -1.13 -1.34 0.00 0.00 175.55 174.02 1qf7 n SER 635 N -1.20 0.00 -3.66 4.32 3.41 -1.26 -2.19 113.62 113.04 1qf7 n SER 635 Ca -0.02 -0.11 -0.11 0.00 -0.26 0.00 0.00 58.87 58.37 1qf7 n SER 635 Cb 0.61 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 1qf7 n SER 635 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qf7 s ARG 636 N -2.58 1.72 0.58 4.33 1.70 -1.26 -4.88 118.95 118.56 1qf7 s ARG 636 Ca 0.27 -1.44 -0.00 0.00 -0.47 0.00 0.00 55.73 54.08 1qf7 s ARG 636 Cb 0.19 0.47 0.12 0.00 -0.57 0.00 0.00 34.95 35.16 1qf7 s ARG 636 CO 0.44 -0.72 0.79 -1.33 -1.08 0.00 0.00 175.30 173.40 1qf7 n MET 637 N -0.45 0.02 0.00 3.89 2.81 -1.26 -4.72 117.12 117.41 1qf7 n MET 637 Ca -0.01 -2.14 0.00 0.00 -1.81 0.00 0.00 57.70 53.74 1qf7 n MET 637 Cb 0.62 -0.54 0.00 0.00 -0.71 0.00 0.00 33.22 32.59 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 -1.07 1.02 3.16 3.03 0.00 -1.26 -4.98 105.19 105.09 1qf7 n GLY 638 Ca 0.13 -1.44 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 1qf7 n GLY 638 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qf7 s GLU 639 N 0.00 0.78 0.13 1.61 2.02 -1.26 -1.67 118.70 120.31 1qf7 s GLU 639 Ca 0.00 -1.16 0.04 0.00 0.02 0.00 0.00 54.97 53.87 1qf7 s GLU 639 Cb 0.00 0.27 -0.04 0.00 0.10 0.00 0.00 34.13 34.46 1qf7 s GLU 639 CO 0.00 -0.21 -0.10 0.14 0.02 0.00 0.00 175.26 175.10 1qf7 s VAL 640 N -3.92 1.13 -0.11 2.63 -7.23 -0.85 -4.95 120.40 107.10 1qf7 s VAL 640 Ca 0.10 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 1qf7 s VAL 640 Cb 0.06 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 1qf7 s VAL 640 CO -0.08 -0.68 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.00 1qf7 s THR 641 N -3.06 2.97 0.85 5.32 2.01 -1.26 0.11 115.64 122.58 1qf7 s THR 641 Ca 0.14 -0.71 -0.12 0.00 0.31 0.00 0.00 61.69 61.31 1qf7 s THR 641 Cb 0.01 -2.22 0.10 0.00 0.01 0.00 0.00 72.50 70.40 1qf7 s THR 641 CO 0.01 0.54 1.13 0.00 -0.69 0.00 0.00 174.62 175.61 1qf7 s ALA 642 N 0.13 2.15 0.52 7.40 0.00 0.10 -4.17 121.76 127.89 1qf7 s ALA 642 Ca -0.07 -0.46 0.30 0.00 0.00 0.00 0.00 51.96 51.73 1qf7 s ALA 642 Cb -0.15 -3.04 1.42 0.00 0.00 0.00 0.00 23.12 21.36 1qf7 s ALA 642 CO 0.05 -1.94 1.87 0.38 0.00 0.00 0.00 175.76 176.12 1qf7 h ASP 643 N -1.24 0.07 -0.60 0.00 2.03 -1.35 -0.24 116.42 115.09 1qf7 h ASP 643 Ca -0.48 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1qf7 h ASP 643 Cb 1.31 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 1qf7 h ASP 643 CO 0.62 0.02 0.00 -0.90 -1.03 0.00 0.00 179.24 177.96 1qf7 n ASP 644 N -4.31 3.22 0.00 4.15 5.75 -1.26 -4.93 116.55 119.17 1qf7 n ASP 644 Ca 0.20 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1qf7 n ASP 644 Cb 0.96 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 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 1.45 0.84 3.71 6.12 0.00 -0.10 -5.00 105.19 112.21 1qf7 n GLY 645 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1qf7 n GLY 645 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qf7 s THR 646 N -3.26 3.98 -0.28 2.61 2.01 -1.26 -4.73 115.64 114.71 1qf7 s THR 646 Ca 0.00 1.44 -0.26 0.00 0.31 0.00 0.00 61.69 63.18 1qf7 s THR 646 Cb 0.00 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.59 1qf7 s THR 646 CO 0.00 0.12 0.90 -0.69 -0.69 0.00 0.00 174.62 174.26 1qf7 s VAL 647 N 0.99 4.73 -0.24 3.82 1.01 -1.26 -0.72 120.40 128.73 1qf7 s VAL 647 Ca 0.59 1.55 -0.02 0.00 0.00 0.00 0.00 61.98 64.09 1qf7 s VAL 647 Cb -0.30 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 31.88 1qf7 s VAL 647 CO 0.30 -0.23 -0.06 -0.76 0.00 0.00 0.00 175.10 174.34 1qf7 s LEU 648 N 3.10 3.06 0.18 3.92 1.43 0.12 -4.96 118.68 125.53 1qf7 s LEU 648 Ca 0.38 -0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 52.46 1qf7 s LEU 648 Cb -0.14 -1.68 -0.08 0.00 0.03 0.00 0.00 46.19 44.32 1qf7 s LEU 648 CO 0.10 -0.09 1.03 -2.16 0.23 0.00 0.00 176.35 175.46 1qf7 s PRO 649 N 1.37 4.68 -0.22 1.29 0.04 -1.26 -2.00 135.00 138.90 1qf7 s PRO 649 Ca 0.02 1.61 -0.23 0.00 0.04 0.00 0.00 61.00 62.44 1qf7 s PRO 649 Cb -0.16 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.07 1qf7 s PRO 649 CO -0.05 0.22 0.73 0.42 0.04 0.00 0.00 177.00 178.36 1qf7 s ILE 650 N -0.45 4.93 0.13 0.56 1.01 -0.67 -4.83 121.20 121.87 1qf7 s ILE 650 Ca 0.47 1.38 -0.10 0.00 0.00 0.00 0.00 60.65 62.40 1qf7 s ILE 650 Cb -0.27 -4.03 -0.13 0.00 0.01 0.00 0.00 42.46 38.04 1qf7 s ILE 650 CO 0.33 0.02 1.36 0.00 0.00 0.00 0.00 174.94 176.66 1qf7 h ALA 651 N 7.60 0.41 -2.40 9.38 0.00 -1.30 -3.43 119.26 129.53 1qf7 h ALA 651 Ca -0.27 -0.58 0.17 0.00 0.00 0.00 0.00 54.91 54.23 1qf7 h ALA 651 Cb 1.12 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 1qf7 h ALA 651 CO 0.82 0.70 0.50 0.00 0.00 0.00 0.00 179.25 181.26 1qf7 s ALA 652 N -3.83 -1.61 0.61 0.00 0.00 -1.23 -5.04 121.76 110.66 1qf7 s ALA 652 Ca -0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.85 1qf7 s ALA 652 Cb 0.09 0.67 0.06 0.00 0.00 0.00 0.00 23.12 23.94 1qf7 s ALA 652 CO 0.89 -1.05 0.85 0.95 0.00 0.00 0.00 175.76 177.41 1qf7 s THR 653 N -2.98 2.49 0.11 0.00 -4.23 -1.26 -2.34 115.64 107.43 1qf7 s THR 653 Ca 0.15 -0.60 -0.21 0.00 -1.18 0.00 0.00 61.69 59.84 1qf7 s THR 653 Cb -0.02 -2.90 -0.08 0.00 1.34 0.00 0.00 72.50 70.85 1qf7 s THR 653 CO 0.03 0.00 1.72 -0.26 -0.54 0.00 0.00 174.62 175.57 1qf7 h PHE 654 N -0.15 -0.05 -0.21 3.99 0.04 -1.77 -2.06 116.94 116.72 1qf7 h PHE 654 Ca -0.41 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.26 1qf7 h PHE 654 Cb 1.29 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.47 1qf7 h PHE 654 CO 0.24 -0.05 -0.35 0.00 -0.60 0.00 0.00 178.31 177.55 1qf7 h ALA 655 N 1.11 1.01 0.00 2.45 0.00 -1.90 -3.28 119.26 118.65 1qf7 h ALA 655 Ca 0.06 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 1qf7 h ALA 655 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1qf7 h ALA 655 CO -0.12 0.60 -0.54 0.78 0.00 0.00 0.00 179.25 179.97 1qf7 h GLY 656 N 1.09 0.00 -6.60 0.00 0.00 -1.80 -3.34 103.07 92.42 1qf7 h GLY 656 Ca 0.04 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.77 1qf7 h GLY 656 CO 0.06 0.00 -0.81 0.00 0.00 0.00 0.00 176.54 175.80 1qf7 n ALA 657 N -2.40 3.12 -0.68 3.60 0.00 -0.82 -4.88 120.51 118.45 1qf7 n ALA 657 Ca -0.01 -3.79 -0.31 0.00 0.00 0.00 0.00 53.44 49.33 1qf7 n ALA 657 Cb 0.57 -0.87 0.17 0.00 0.00 0.00 0.00 19.45 19.32 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 2.25 -0.89 0.26 0.00 -0.02 -1.24 -4.83 135.00 130.53 1qf7 n PRO 658 Ca 0.25 -0.21 0.17 0.00 -2.02 0.00 0.00 63.50 61.69 1qf7 n PRO 658 Cb 0.43 -2.07 0.90 0.00 -0.02 0.00 0.00 33.50 32.74 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 -1.94 0.00 -1.00 2.55 4.64 -1.85 -0.83 113.55 115.12 1qf7 h SER 659 Ca -0.48 0.00 0.26 0.00 -0.47 0.00 0.00 61.79 61.11 1qf7 h SER 659 Cb 1.30 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.32 1qf7 h SER 659 CO 0.40 0.00 0.68 -0.07 -0.87 0.00 0.00 176.83 176.96 1qf7 h LEU 660 N 0.00 0.29 -1.10 5.97 3.38 -1.95 -1.62 115.31 120.27 1qf7 h LEU 660 Ca 0.04 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1qf7 h LEU 660 Cb 0.24 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1qf7 h LEU 660 CO -0.00 0.08 0.00 0.35 0.09 0.00 0.00 178.44 178.96 1qf7 n THR 661 N -4.46 0.18 -4.47 0.22 -2.24 -0.32 -4.91 114.28 98.27 1qf7 n THR 661 Ca 0.23 -0.34 -0.22 0.00 -2.27 0.00 0.00 64.05 61.45 1qf7 n THR 661 Cb 0.91 0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 69.44 1qf7 n THR 661 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1qf7 s VAL 662 N -1.82 1.20 -0.48 2.28 -7.23 -0.61 -4.97 120.40 108.77 1qf7 s VAL 662 Ca 0.33 -2.00 0.20 0.00 -1.81 0.00 0.00 61.98 58.71 1qf7 s VAL 662 Cb 0.18 -2.77 -0.27 0.00 0.56 0.00 0.00 36.38 34.08 1qf7 s VAL 662 CO 0.28 0.00 0.65 0.47 -0.31 0.00 0.00 175.10 176.19 1qf7 n ASP 663 N -0.75 0.61 -3.73 4.85 8.00 0.30 -5.01 116.55 120.82 1qf7 n ASP 663 Ca -0.03 -0.48 -0.06 0.00 0.71 0.00 0.00 54.79 54.93 1qf7 n ASP 663 Cb 0.67 1.47 -0.02 0.00 -0.02 0.00 0.00 41.12 43.22 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 -3.16 -1.53 -0.04 2.24 0.00 -1.21 -4.27 121.76 113.79 1qf7 s ALA 664 Ca -0.00 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.09 1qf7 s ALA 664 Cb 0.14 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.99 1qf7 s ALA 664 CO 0.84 -0.98 -0.06 0.08 0.00 0.00 0.00 175.76 175.64 1qf7 s VAL 665 N -3.52 0.63 -0.06 0.00 1.01 -0.76 -1.61 120.40 116.09 1qf7 s VAL 665 Ca 0.10 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1qf7 s VAL 665 Cb -0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 1qf7 s VAL 665 CO 0.01 0.23 -0.25 -0.63 0.00 0.00 0.00 175.10 174.47 1qf7 s ILE 666 N 0.69 2.03 -0.29 2.22 1.01 0.56 -0.71 121.20 126.71 1qf7 s ILE 666 Ca -0.10 -1.04 0.03 0.00 0.00 0.00 0.00 60.65 59.54 1qf7 s ILE 666 Cb -0.13 -1.72 0.08 0.00 0.01 0.00 0.00 42.46 40.69 1qf7 s ILE 666 CO 0.01 0.56 -0.04 -0.69 0.00 0.00 0.00 174.94 174.78 1qf7 s VAL 667 N -0.07 2.07 0.63 2.92 1.01 -0.17 -1.93 120.40 124.85 1qf7 s VAL 667 Ca -0.06 -1.82 -0.14 0.00 0.00 0.00 0.00 61.98 59.96 1qf7 s VAL 667 Cb -0.14 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1qf7 s VAL 667 CO 0.05 -0.26 1.05 -2.16 0.00 0.00 0.00 175.10 173.77 1qf7 s PRO 668 N 1.09 3.23 1.12 2.72 0.04 -1.26 -1.41 135.00 140.53 1qf7 s PRO 668 Ca -0.01 1.06 -0.16 0.00 0.04 0.00 0.00 61.00 61.93 1qf7 s PRO 668 Cb -0.19 -2.03 0.25 0.00 0.04 0.00 0.00 34.50 32.57 1qf7 s PRO 668 CO -0.07 -0.87 1.09 0.00 0.04 0.00 0.00 177.00 177.19 1qf7 n GLY 670 N -0.80 -0.01 3.48 0.00 0.00 -1.26 -1.46 105.19 105.13 1qf7 n GLY 670 Ca 0.09 -0.74 -0.44 0.00 0.00 0.00 0.00 46.02 44.93 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 6.98 0.46 1.61 2.47 -1.09 -4.82 114.94 116.55 1qf7 s ASN 671 Ca 0.00 -2.78 0.18 0.00 0.42 0.00 0.00 52.86 50.68 1qf7 s ASN 671 Cb 0.00 -2.43 1.10 0.00 -1.45 0.00 0.00 41.25 38.47 1qf7 s ASN 671 CO 0.00 -0.86 2.00 0.40 -3.72 0.00 0.00 177.10 174.92 1qf7 h ILE 672 N 4.96 1.00 -0.31 -5.21 1.08 -1.92 -2.45 117.51 114.66 1qf7 h ILE 672 Ca 0.31 -0.66 0.09 0.00 -0.39 0.00 0.00 64.86 64.21 1qf7 h ILE 672 Cb 0.89 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 36.00 1qf7 h ILE 672 CO 1.26 0.18 0.23 0.00 -0.69 0.00 0.00 178.15 179.13 1qf7 h ALA 673 N 1.82 2.29 -0.87 1.87 0.00 -1.96 0.31 119.26 122.71 1qf7 h ALA 673 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1qf7 h ALA 673 Cb 0.36 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1qf7 h ALA 673 CO 0.02 -0.39 0.58 0.22 0.00 0.00 0.00 179.25 179.68 1qf7 h ASP 674 N 0.00 0.98 0.00 0.00 3.58 -1.85 -3.29 116.42 115.84 1qf7 h ASP 674 Ca 0.15 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1qf7 h ASP 674 Cb 0.60 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1qf7 h ASP 674 CO -0.00 0.70 -0.74 2.30 -2.88 0.00 0.00 179.24 178.62 1qf7 n ILE 675 N -4.42 0.00 -0.29 2.25 -5.35 0.06 -4.69 119.36 106.92 1qf7 n ILE 675 Ca 0.10 -0.27 0.19 0.00 -0.27 0.00 0.00 62.75 62.51 1qf7 n ILE 675 Cb 0.05 0.77 0.47 0.00 -1.74 0.00 0.00 39.64 39.19 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 1.11 2.10 -0.46 -1.28 0.00 -0.56 -0.21 119.26 119.95 1qf7 h ALA 676 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1qf7 h ALA 676 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1qf7 h ALA 676 CO 0.00 -0.43 0.00 -0.25 0.00 0.00 0.00 179.25 178.57 1qf7 n ASP 677 N -4.59 3.93 -4.64 0.00 8.00 -1.26 -4.90 116.55 113.09 1qf7 n ASP 677 Ca 0.22 -2.42 -0.43 0.00 0.71 0.00 0.00 54.79 52.86 1qf7 n ASP 677 Cb 0.72 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 41.34 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 -1.19 6.90 0.14 -2.24 3.84 -0.09 -4.94 114.94 117.36 1qf7 s ASN 678 Ca 0.40 1.22 -0.19 0.00 0.21 0.00 0.00 52.86 54.50 1qf7 s ASN 678 Cb 0.26 -2.54 0.02 0.00 -0.55 0.00 0.00 41.25 38.44 1qf7 s ASN 678 CO 0.18 -0.87 1.69 1.23 -2.79 0.00 0.00 177.10 176.53 1qf7 h GLY 679 N 10.11 0.17 0.91 1.21 0.00 -1.91 -2.06 103.07 111.50 1qf7 h GLY 679 Ca -0.22 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.24 1qf7 h GLY 679 CO 1.02 -0.11 0.40 -0.55 0.00 0.00 0.00 176.54 177.29 1qf7 h ASP 680 N -0.03 0.66 -0.69 0.19 3.32 -1.96 -0.65 116.42 117.26 1qf7 h ASP 680 Ca 0.13 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 1qf7 h ASP 680 Cb 0.23 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1qf7 h ASP 680 CO -0.29 0.47 0.16 0.00 -1.72 0.00 0.00 179.24 177.85 1qf7 h ALA 681 N 1.26 0.91 -0.19 3.45 0.00 -1.76 0.70 119.26 123.64 1qf7 h ALA 681 Ca 0.25 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1qf7 h ALA 681 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1qf7 h ALA 681 CO -0.09 0.65 -0.00 -0.91 0.00 0.00 0.00 179.25 178.89 1qf7 h ASN 682 N 1.05 0.33 -0.67 0.00 2.35 -1.05 -3.04 115.58 114.55 1qf7 h ASN 682 Ca 0.22 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1qf7 h ASN 682 Cb 0.39 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1qf7 h ASN 682 CO 0.00 0.57 0.41 0.22 -1.65 0.00 0.00 177.43 176.98 1qf7 h TYR 683 N 0.09 0.89 -0.56 1.19 3.20 -1.02 -2.01 116.97 118.75 1qf7 h TYR 683 Ca 0.05 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.04 1qf7 h TYR 683 Cb 0.40 -0.29 -0.10 0.00 1.54 0.00 0.00 36.73 38.28 1qf7 h TYR 683 CO 0.04 0.59 -0.07 -0.92 -1.64 0.00 0.00 178.16 176.16 1qf7 h TYR 684 N 0.93 -0.16 -0.13 -3.82 5.03 -0.74 0.98 116.97 119.07 1qf7 h TYR 684 Ca 0.24 0.05 -0.19 0.00 2.58 0.00 0.00 58.73 61.41 1qf7 h TYR 684 Cb -0.03 0.16 -0.00 0.00 1.55 0.00 0.00 36.73 38.40 1qf7 h TYR 684 CO 0.00 -0.19 -0.69 -0.07 -1.32 0.00 0.00 178.16 175.90 1qf7 h LEU 685 N 0.06 0.63 -0.62 2.82 3.38 -1.38 -2.12 115.31 118.08 1qf7 h LEU 685 Ca 0.28 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1qf7 h LEU 685 Cb 0.44 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1qf7 h LEU 685 CO -0.52 1.14 0.20 0.24 0.09 0.00 0.00 178.44 179.58 1qf7 h MET 686 N 0.38 0.96 -0.03 1.13 2.86 -0.41 0.19 114.93 120.02 1qf7 h MET 686 Ca -0.02 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1qf7 h MET 686 Cb 1.26 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 1qf7 h MET 686 CO 0.13 0.85 0.00 1.49 1.06 0.00 0.00 176.91 180.44 1qf7 h GLU 687 N 0.89 0.06 -0.95 1.72 4.81 -0.88 -1.52 114.58 118.71 1qf7 h GLU 687 Ca 0.20 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.46 1qf7 h GLU 687 Cb 0.29 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.60 1qf7 h GLU 687 CO -0.01 0.33 0.62 0.00 -0.73 0.00 0.00 179.01 179.21 1qf7 h ALA 688 N 0.73 1.29 -0.12 2.92 0.00 -1.26 -2.07 119.26 120.76 1qf7 h ALA 688 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1qf7 h ALA 688 Cb 0.30 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1qf7 h ALA 688 CO 0.00 0.44 0.01 -0.92 0.00 0.00 0.00 179.25 178.78 1qf7 h TYR 689 N 1.16 0.22 -0.82 0.00 3.20 -0.46 -1.39 116.97 118.87 1qf7 h TYR 689 Ca 0.40 -0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.31 1qf7 h TYR 689 Cb 0.09 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.23 1qf7 h TYR 689 CO -0.01 0.42 0.48 -0.22 -1.64 0.00 0.00 178.16 177.19 1qf7 h LYS 690 N -0.04 0.82 -0.71 1.82 3.64 -1.04 -1.64 116.57 119.42 1qf7 h LYS 690 Ca 0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1qf7 h LYS 690 Cb 0.32 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1qf7 h LYS 690 CO 0.00 0.55 0.00 0.72 -2.27 0.00 0.00 179.45 178.45 1qf7 n HIS 691 N -4.70 0.28 -2.10 1.91 8.25 -0.80 -4.91 115.22 113.16 1qf7 n HIS 691 Ca 0.12 -0.10 -0.20 0.00 -0.26 0.00 0.00 57.72 57.28 1qf7 n HIS 691 Cb 0.22 -0.12 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 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 0.03 -1.74 -4.82 2.41 4.77 -0.62 -4.90 117.00 112.13 1qf7 n LEU 692 Ca 0.04 0.16 -0.36 0.00 -0.03 0.00 0.00 56.01 55.82 1qf7 n LEU 692 Cb 0.32 -2.79 -0.06 0.00 -2.33 0.00 0.00 43.42 38.55 1qf7 n LEU 692 CO 0.04 -0.50 0.34 -0.54 -1.33 0.00 0.00 177.39 175.41 1qf7 s LYS 693 N -4.53 4.17 0.18 3.23 1.02 -0.54 -0.20 119.74 123.07 1qf7 s LYS 693 Ca 0.00 0.74 -0.32 0.00 0.02 0.00 0.00 55.97 56.41 1qf7 s LYS 693 Cb 0.00 -2.94 -0.11 0.00 -0.52 0.00 0.00 37.83 34.26 1qf7 s LYS 693 CO 0.00 0.45 1.63 -2.14 -0.92 0.00 0.00 175.35 174.38 1qf7 s PRO 694 N -1.86 4.18 -0.02 -1.68 0.02 -1.26 -4.62 135.00 129.75 1qf7 s PRO 694 Ca 0.40 2.47 0.07 0.00 0.02 0.00 0.00 61.00 63.96 1qf7 s PRO 694 Cb -0.17 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 31.22 1qf7 s PRO 694 CO 0.20 -0.67 -0.24 0.42 -0.33 0.00 0.00 177.00 176.39 1qf7 s ILE 695 N 1.14 1.89 -0.07 2.83 1.01 -1.16 -1.82 121.20 125.03 1qf7 s ILE 695 Ca 0.72 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 60.37 1qf7 s ILE 695 Cb -0.46 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.45 1qf7 s ILE 695 CO 0.32 0.53 -0.11 0.00 0.00 0.00 0.00 174.94 175.68 1qf7 s ALA 696 N -0.49 1.25 -0.17 9.38 0.00 0.11 -0.54 121.76 131.31 1qf7 s ALA 696 Ca 0.07 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1qf7 s ALA 696 Cb -0.10 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.44 1qf7 s ALA 696 CO -0.00 0.04 -0.14 -0.51 0.00 0.00 0.00 175.76 175.15 1qf7 s LEU 697 N 0.81 1.90 -0.09 0.00 1.43 0.10 -1.00 118.68 121.82 1qf7 s LEU 697 Ca -0.12 -0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 52.32 1qf7 s LEU 697 Cb -0.15 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 1qf7 s LEU 697 CO 0.02 -0.07 0.09 0.00 0.23 0.00 0.00 176.35 176.62 1qf7 s ALA 698 N 1.44 3.67 0.00 4.21 0.00 -0.50 -2.89 121.76 127.69 1qf7 s ALA 698 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1qf7 s ALA 698 Cb -0.14 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1qf7 s ALA 698 CO -0.10 0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.69 1qf7 n GLY 699 N 1.92 3.08 0.12 0.00 0.00 0.13 -1.31 105.19 109.12 1qf7 n GLY 699 Ca -0.19 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 2.95 0.49 0.30 1.61 8.00 -1.26 -1.65 116.55 127.00 1qf7 n ASP 700 Ca 0.00 0.67 0.19 0.00 0.71 0.00 0.00 54.79 56.36 1qf7 n ASP 700 Cb 0.00 -0.76 1.02 0.00 -0.02 0.00 0.00 41.12 41.37 1qf7 n ASP 700 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qf7 h ALA 701 N 2.15 1.33 0.00 2.24 0.00 -1.47 -2.32 119.26 121.18 1qf7 h ALA 701 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qf7 h ALA 701 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qf7 h ALA 701 CO 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.15 1qf7 h ARG 702 N 0.00 0.00 -0.35 0.00 3.08 -1.48 -0.91 114.38 114.72 1qf7 h ARG 702 Ca 0.02 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.17 1qf7 h ARG 702 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1qf7 h ARG 702 CO -0.00 0.00 0.37 0.87 -1.07 0.00 0.00 179.97 180.14 1qf7 h LYS 703 N 0.00 0.00 0.00 0.04 1.79 -1.65 -0.56 116.57 116.19 1qf7 h LYS 703 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1qf7 h LYS 703 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1qf7 h LYS 703 CO 0.00 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.56 1qf7 n PHE 704 N -3.78 0.00 0.26 -1.35 3.72 -0.35 -3.00 117.46 112.97 1qf7 n PHE 704 Ca 0.06 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.55 1qf7 n PHE 704 Cb 0.53 -0.32 0.67 0.00 -0.94 0.00 0.00 39.48 39.43 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 -0.09 -1.08 1.57 -1.30 -1.45 116.57 114.22 1qf7 h LYS 705 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1qf7 h LYS 705 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1qf7 h LYS 705 CO 0.00 0.06 -0.44 0.00 -0.57 0.00 0.00 179.45 178.50 1qf7 h ALA 706 N 1.94 1.09 -0.33 3.86 0.00 -1.75 -1.74 119.26 122.33 1qf7 h ALA 706 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1qf7 h ALA 706 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1qf7 h ALA 706 CO 0.01 0.60 0.17 1.15 0.00 0.00 0.00 179.25 181.18 1qf7 h THR 707 N 0.18 1.15 -0.75 0.00 2.02 -1.48 -2.71 112.91 111.32 1qf7 h THR 707 Ca 0.01 -0.41 -0.38 0.00 0.77 0.00 0.00 66.41 66.40 1qf7 h THR 707 Cb 0.85 0.83 -0.23 0.00 -1.74 0.00 0.00 68.15 67.86 1qf7 h THR 707 CO 0.07 0.15 0.48 2.30 0.37 0.00 0.00 175.52 178.89 1qf7 n ILE 708 N -4.77 2.67 -4.10 3.11 -5.35 -1.17 -4.92 119.36 104.82 1qf7 n ILE 708 Ca -0.01 -1.45 -0.30 0.00 -0.27 0.00 0.00 62.75 60.71 1qf7 n ILE 708 Cb 0.09 -0.58 -0.08 0.00 -1.74 0.00 0.00 39.64 37.33 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 -0.70 -0.89 -4.18 6.28 4.76 -1.02 -4.89 118.16 117.52 1qf7 n LYS 709 Ca 0.45 0.09 -0.19 0.00 -2.87 0.00 0.00 58.31 55.79 1qf7 n LYS 709 Cb 1.38 -3.42 -0.12 0.00 -1.84 0.00 0.00 35.03 31.04 1qf7 n LYS 709 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1qf7 s ILE 710 N -3.82 1.16 0.06 -0.18 1.01 -0.68 -5.04 121.20 113.71 1qf7 s ILE 710 Ca 0.23 -1.34 -0.11 0.00 0.00 0.00 0.00 60.65 59.43 1qf7 s ILE 710 Cb -0.13 -1.12 -0.06 0.00 0.01 0.00 0.00 42.46 41.16 1qf7 s ILE 710 CO 0.88 -0.22 0.22 0.00 0.00 0.00 0.00 174.94 175.82 1qf7 n ALA 711 N 1.24 -1.67 0.13 9.38 0.00 -1.26 -4.81 120.51 123.52 1qf7 n ALA 711 Ca -0.21 0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 1qf7 n ALA 711 Cb 0.54 -0.59 0.22 0.00 0.00 0.00 0.00 19.45 19.63 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 0.49 0.10 1.18 0.00 5.19 -1.98 1.27 116.42 122.67 1qf7 h ASP 712 Ca -0.12 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1qf7 h ASP 712 Cb 0.52 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1qf7 h ASP 712 CO 0.21 0.59 -0.19 1.67 -3.12 0.00 0.00 179.24 178.40 1qf7 n GLN 713 N -3.94 0.21 0.00 3.56 0.00 -1.26 -5.03 117.38 110.92 1qf7 n GLN 713 Ca -0.02 0.13 0.00 0.00 -0.00 0.00 0.00 57.00 57.12 1qf7 n GLN 713 Cb 0.53 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 29.07 1qf7 n GLN 713 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1qf7 n GLY 714 N 1.36 1.05 3.62 1.69 0.00 0.44 -5.09 105.19 108.25 1qf7 n GLY 714 Ca 0.05 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 1qf7 n GLY 714 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qf7 s GLU 715 N -1.55 0.81 0.09 1.61 2.12 -1.26 -4.56 118.70 115.95 1qf7 s GLU 715 Ca 0.00 1.00 -0.35 0.00 0.36 0.00 0.00 54.97 55.98 1qf7 s GLU 715 Cb 0.00 0.38 -0.15 0.00 0.26 0.00 0.00 34.13 34.62 1qf7 s GLU 715 CO 0.00 -0.10 1.52 0.39 -0.54 0.00 0.00 175.26 176.53 1qf7 n GLU 716 N 2.83 1.70 0.00 4.30 1.02 -1.26 -1.30 120.64 127.92 1qf7 n GLU 716 Ca -0.14 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1qf7 n GLU 716 Cb 0.55 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 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 3.18 2.71 3.28 0.62 0.00 -1.26 -4.90 105.19 108.82 1qf7 n GLY 717 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.66 3.16 -0.12 -0.61 -1.09 -0.42 -2.97 121.20 116.49 1qf7 s ILE 718 Ca 0.00 -0.57 -0.14 0.00 -2.23 0.00 0.00 60.65 57.72 1qf7 s ILE 718 Cb 0.00 -2.42 -0.05 0.00 -1.58 0.00 0.00 42.46 38.41 1qf7 s ILE 718 CO 0.00 0.44 0.32 -0.69 -1.23 0.00 0.00 174.94 173.78 1qf7 s VAL 719 N 1.43 5.26 -0.13 2.92 1.01 0.30 -4.62 120.40 126.58 1qf7 s VAL 719 Ca 0.05 0.61 -0.18 0.00 0.00 0.00 0.00 61.98 62.46 1qf7 s VAL 719 Cb -0.14 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.65 1qf7 s VAL 719 CO -0.05 0.45 0.48 -1.83 0.00 0.00 0.00 175.10 174.15 1qf7 s GLU 720 N -0.02 0.66 0.15 2.72 -1.05 -1.26 -0.73 118.70 119.17 1qf7 s GLU 720 Ca 0.19 0.45 -0.24 0.00 -0.15 0.00 0.00 54.97 55.21 1qf7 s GLU 720 Cb -0.14 0.31 0.07 0.00 -0.44 0.00 0.00 34.13 33.94 1qf7 s GLU 720 CO 0.06 -0.13 1.02 0.00 0.95 0.00 0.00 175.26 177.17 1qf7 s ALA 721 N -0.25 -1.68 0.25 -0.84 0.00 -1.14 -5.01 121.76 113.09 1qf7 s ALA 721 Ca -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 1qf7 s ALA 721 Cb -0.03 0.66 0.31 0.00 0.00 0.00 0.00 23.12 24.05 1qf7 s ALA 721 CO 0.03 -1.05 1.72 -0.44 0.00 0.00 0.00 175.76 176.01 1qf7 h ASP 722 N 2.00 0.71 -5.58 0.00 3.32 -1.91 0.40 116.42 115.36 1qf7 h ASP 722 Ca -0.26 -0.21 -0.24 0.00 0.02 0.00 0.00 57.03 56.34 1qf7 h ASP 722 Cb 1.22 -0.19 -0.14 0.00 0.22 0.00 0.00 39.33 40.44 1qf7 h ASP 722 CO 0.29 0.85 -0.53 -0.94 -1.72 0.00 0.00 179.24 177.19 1qf7 s SER 723 N -6.71 0.30 -0.32 6.45 1.04 -1.26 -2.57 113.70 110.63 1qf7 s SER 723 Ca -0.09 -1.37 -0.05 0.00 0.48 0.00 0.00 55.95 54.92 1qf7 s SER 723 Cb 0.14 0.43 -0.06 0.00 0.10 0.00 0.00 66.02 66.63 1qf7 s SER 723 CO 0.81 -0.92 3.09 0.00 0.98 0.00 0.00 173.24 177.21 1qf7 n ALA 724 N -0.33 6.45 -1.00 5.32 0.00 -1.26 -4.82 120.51 124.87 1qf7 n ALA 724 Ca 0.02 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.84 1qf7 n ALA 724 Cb 0.65 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 1.55 0.00 -0.06 0.00 5.68 -1.26 -4.43 116.55 118.03 1qf7 n ASP 725 Ca 0.47 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.75 1qf7 n ASP 725 Cb 0.68 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.65 1qf7 n ASP 725 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1qf7 h GLY 726 N 0.00 0.00 1.59 6.12 0.00 -2.00 -3.40 103.07 105.38 1qf7 h GLY 726 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qf7 h GLY 726 CO 0.00 0.00 -0.32 0.23 0.00 0.00 0.00 176.54 176.45 1qf7 h SER 727 N -1.00 0.00 -0.07 0.19 0.87 -1.96 -3.30 113.55 108.28 1qf7 h SER 727 Ca -0.00 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1qf7 h SER 727 Cb 0.17 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1qf7 h SER 727 CO -0.00 0.05 -0.01 0.15 -0.53 0.00 0.00 176.83 176.48 1qf7 h PHE 728 N 0.00 -0.03 -0.10 2.24 3.04 -1.89 -1.20 116.94 118.99 1qf7 h PHE 728 Ca 0.00 0.01 -0.12 0.00 3.98 0.00 0.00 57.97 61.83 1qf7 h PHE 728 Cb 0.77 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 1qf7 h PHE 728 CO 0.00 -0.03 -0.49 0.52 -2.02 0.00 0.00 178.31 176.30 1qf7 h MET 729 N 0.00 0.26 -0.36 1.11 2.86 -1.77 -1.22 114.93 115.82 1qf7 h MET 729 Ca 0.03 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 1qf7 h MET 729 Cb 0.05 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1qf7 h MET 729 CO -0.07 0.69 -0.07 -0.44 1.06 0.00 0.00 176.91 178.08 1qf7 h ASP 730 N 0.21 0.68 -0.72 1.22 3.32 -1.62 0.13 116.42 119.65 1qf7 h ASP 730 Ca 0.01 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 1qf7 h ASP 730 Cb 0.94 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 1qf7 h ASP 730 CO 0.08 0.88 0.44 -0.33 -1.72 0.00 0.00 179.24 178.59 1qf7 h GLU 731 N 0.48 0.97 -0.35 3.56 5.08 -0.97 -1.02 114.58 122.33 1qf7 h GLU 731 Ca 0.09 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1qf7 h GLU 731 Cb 0.58 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1qf7 h GLU 731 CO 0.03 0.68 0.17 1.25 -1.00 0.00 0.00 179.01 180.14 1qf7 h LEU 732 N 0.98 0.46 -1.03 1.33 7.12 -0.55 -2.09 115.31 121.54 1qf7 h LEU 732 Ca 0.26 -0.12 -0.10 0.00 0.13 0.00 0.00 57.88 58.05 1qf7 h LEU 732 Cb -0.05 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 39.95 1qf7 h LEU 732 CO -0.05 0.45 -0.44 -0.07 -0.13 0.00 0.00 178.44 178.20 1qf7 h LEU 733 N 0.44 0.09 -0.22 2.25 3.38 -0.51 -0.96 115.31 119.77 1qf7 h LEU 733 Ca 0.12 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1qf7 h LEU 733 Cb 0.11 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1qf7 h LEU 733 CO -0.02 0.53 0.04 0.74 0.09 0.00 0.00 178.44 179.82 1qf7 h THR 734 N 0.07 1.22 -0.67 0.22 2.02 -1.10 -1.21 112.91 113.46 1qf7 h THR 734 Ca 0.00 -0.72 0.03 0.00 0.77 0.00 0.00 66.41 66.49 1qf7 h THR 734 Cb 0.82 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 1qf7 h THR 734 CO 0.06 0.22 0.42 -0.07 0.37 0.00 0.00 175.52 176.53 1qf7 h LEU 735 N 0.16 0.69 -1.22 2.58 3.38 -0.67 -2.33 115.31 117.90 1qf7 h LEU 735 Ca 0.07 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1qf7 h LEU 735 Cb 0.30 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1qf7 h LEU 735 CO 0.00 0.48 0.12 0.24 0.09 0.00 0.00 178.44 179.38 1qf7 h MET 736 N 0.82 0.66 0.00 1.13 2.86 -0.88 -1.68 114.93 117.85 1qf7 h MET 736 Ca 0.27 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1qf7 h MET 736 Cb 0.01 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.55 1qf7 h MET 736 CO -0.10 0.59 -0.12 0.00 1.06 0.00 0.00 176.91 178.34 1qf7 h ALA 737 N 1.49 1.18 -0.40 6.32 0.00 -0.69 -0.36 119.26 126.80 1qf7 h ALA 737 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1qf7 h ALA 737 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1qf7 h ALA 737 CO -0.01 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1qf7 n ALA 738 N -2.24 2.45 0.00 0.00 0.00 -0.66 -3.97 120.51 116.09 1qf7 n ALA 738 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1qf7 n ALA 738 Cb 0.28 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1qf7 n ALA 738 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1qf7 n HIS 739 N 0.88 0.00 -4.20 0.00 -0.00 -0.15 -4.79 115.22 106.96 1qf7 n HIS 739 Ca 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.76 1qf7 n HIS 739 Cb 0.43 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.31 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 0.92 -1.17 1.57 1.81 -1.26 -4.71 118.95 116.11 1qf7 s ARG 740 Ca 0.00 -1.31 -0.09 0.00 -1.72 0.00 0.00 55.73 52.61 1qf7 s ARG 740 Cb 0.00 -0.48 0.23 0.00 -0.45 0.00 0.00 34.95 34.26 1qf7 s ARG 740 CO 0.00 0.05 1.46 0.28 -0.68 0.00 0.00 175.30 176.42 1qf7 n VAL 741 N 0.12 4.62 -0.01 3.52 0.31 0.73 -4.88 118.33 122.73 1qf7 n VAL 741 Ca -0.13 -5.12 0.13 0.00 -0.01 0.00 0.00 64.34 59.21 1qf7 n VAL 741 Cb 0.60 -2.38 0.56 0.00 -0.91 0.00 0.00 33.84 31.71 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 6.28 0.27 0.00 3.52 -0.00 -1.94 -1.25 115.95 122.83 1qf7 h TRP 742 Ca 0.27 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.17 1qf7 h TRP 742 Cb 0.75 -0.09 0.00 0.00 -0.00 0.00 0.00 29.16 29.83 1qf7 h TRP 742 CO 1.02 0.13 0.00 -1.13 -0.00 0.00 0.00 178.44 178.46 1qf7 n SER 743 N -4.46 0.40 -0.13 -3.49 3.41 -1.26 -1.83 113.62 106.25 1qf7 n SER 743 Ca 0.08 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.45 1qf7 n SER 743 Cb 0.38 -0.71 0.38 0.00 -0.26 0.00 0.00 64.21 64.00 1qf7 n SER 743 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1qf7 n ARG 744 N -1.98 0.51 -0.17 4.33 0.63 -0.47 -4.39 116.66 115.12 1qf7 n ARG 744 Ca 0.01 -0.27 -0.04 0.00 -0.92 0.00 0.00 57.85 56.63 1qf7 n ARG 744 Cb 0.12 -1.49 0.03 0.00 0.45 0.00 0.00 32.46 31.56 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 0.66 0.34 -0.60 5.15 2.04 -1.52 0.21 117.51 123.79 1qf7 h ILE 745 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 1qf7 h ILE 745 Cb 0.48 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1qf7 h ILE 745 CO 0.00 0.00 0.40 -0.65 0.00 0.00 0.00 178.15 177.90 1qf7 h PRO 746 N -0.09 0.45 0.00 2.37 0.11 -1.85 -2.78 132.00 130.21 1qf7 h PRO 746 Ca 0.24 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 1qf7 h PRO 746 Cb 0.47 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 1qf7 h PRO 746 CO -0.58 0.29 -0.02 0.87 -0.21 0.00 0.00 178.00 178.35 1qf7 h LYS 747 N 0.46 0.00 0.00 1.05 1.57 -1.25 -3.34 116.57 115.06 1qf7 h LYS 747 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1qf7 h LYS 747 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1qf7 h LYS 747 CO -0.08 0.02 0.00 -0.84 -0.57 0.00 0.00 179.45 177.98 1qf7 h ILE 748 N 0.00 0.00 0.00 1.86 3.07 -1.30 -3.33 117.51 117.81 1qf7 h ILE 748 Ca -0.00 -0.74 0.00 0.00 1.55 0.00 0.00 64.86 65.67 1qf7 h ILE 748 Cb 0.87 1.73 0.00 0.00 -0.27 0.00 0.00 36.82 39.16 1qf7 h ILE 748 CO 0.00 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 177.57 1qf7 n ASP 749 N -2.73 0.00 -0.04 2.16 8.00 -1.26 -1.92 116.55 120.76 1qf7 n ASP 749 Ca 0.04 -1.07 0.02 0.00 0.71 0.00 0.00 54.79 54.50 1qf7 n ASP 749 Cb 0.47 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.41 1qf7 n ASP 749 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1qf7 n LYS 750 N -0.89 0.67 -2.19 -1.24 4.81 -1.25 -4.90 118.16 113.16 1qf7 n LYS 750 Ca 0.17 -0.11 -0.42 0.00 -0.87 0.00 0.00 58.31 57.08 1qf7 n LYS 750 Cb 0.08 -1.53 -0.03 0.00 0.02 0.00 0.00 35.03 33.57 1qf7 n LYS 750 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1qf7 s ILE 751 N -3.09 3.32 -0.93 3.15 -5.25 -0.81 -4.94 121.20 112.64 1qf7 s ILE 751 Ca -0.09 0.97 -0.22 0.00 -0.99 0.00 0.00 60.65 60.33 1qf7 s ILE 751 Cb 0.11 -3.62 0.07 0.00 2.95 0.00 0.00 42.46 41.97 1qf7 s ILE 751 CO 0.87 0.09 1.30 -2.16 -1.79 0.00 0.00 174.94 173.25 1qf7 s PRO 752 N 0.85 3.50 0.00 0.37 0.04 -1.26 -5.07 135.00 133.44 1qf7 s PRO 752 Ca 0.63 -1.18 0.00 0.00 0.04 0.00 0.00 61.00 60.49 1qf7 s PRO 752 Cb -0.36 -5.00 0.00 0.00 0.04 0.00 0.00 34.50 29.18 1qf7 s PRO 752 CO 0.32 -2.04 0.00 0.00 0.04 0.00 0.00 177.00 175.31