#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qf7 s SER 28 N 0.00 -0.43 -0.00 -2.24 0.15 -1.26 -5.03 113.70 104.89 1qf7 s SER 28 Ca 0.00 -0.44 0.02 0.00 0.70 0.00 0.00 55.95 56.23 1qf7 s SER 28 Cb 0.00 0.56 -0.25 0.00 -1.71 0.00 0.00 66.02 64.62 1qf7 s SER 28 CO 0.00 -0.02 0.83 -0.07 1.20 0.00 0.00 173.24 175.18 1qf7 h LEU 29 N 4.60 0.24 -9.97 3.45 3.38 -2.10 -3.46 115.31 111.45 1qf7 h LEU 29 Ca -0.00 -0.37 -0.53 0.00 0.09 0.00 0.00 57.88 57.07 1qf7 h LEU 29 Cb 1.18 -0.08 0.10 0.00 0.09 0.00 0.00 40.66 41.95 1qf7 h LEU 29 CO -0.09 1.31 0.65 0.00 0.09 0.00 0.00 178.44 180.41 1qf7 s ALA 30 N -2.62 3.25 0.46 1.53 0.00 -1.26 -4.95 121.76 118.17 1qf7 s ALA 30 Ca -0.08 1.34 -0.25 0.00 0.00 0.00 0.00 51.96 52.97 1qf7 s ALA 30 Cb 0.08 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 1qf7 s ALA 30 CO 0.83 -0.99 1.39 -0.35 0.00 0.00 0.00 175.76 176.64 1qf7 n PRO 31 N -0.03 2.10 0.26 0.00 -0.04 -1.26 -4.91 135.00 131.12 1qf7 n PRO 31 Ca 0.04 0.75 0.11 0.00 -0.04 0.00 0.00 63.50 64.36 1qf7 n PRO 31 Cb 0.43 -2.57 0.70 0.00 -0.04 0.00 0.00 33.50 32.01 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 2.11 0.00 0.00 0.54 4.57 -1.96 -2.11 114.58 117.72 1qf7 h GLU 32 Ca -0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1qf7 h GLU 32 Cb 1.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1qf7 h GLU 32 CO 0.60 0.12 0.00 -0.40 -1.18 0.00 0.00 179.01 178.15 1qf7 n ASP 33 N -3.86 0.00 -0.10 1.04 5.68 -1.26 -4.90 116.55 113.15 1qf7 n ASP 33 Ca -0.02 -0.55 -0.01 0.00 -0.50 0.00 0.00 54.79 53.71 1qf7 n ASP 33 Cb 0.21 -0.10 -0.01 0.00 -1.14 0.00 0.00 41.12 40.09 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 0.69 0.49 0.00 6.12 0.00 -0.80 -4.89 105.19 106.81 1qf7 n GLY 34 Ca 0.17 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 0.23 0.00 0.20 1.61 3.41 -1.26 -2.93 113.62 114.88 1qf7 n SER 35 Ca -0.01 -1.16 0.12 0.00 -0.26 0.00 0.00 58.87 57.56 1qf7 n SER 35 Cb 0.12 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.29 1qf7 n SER 35 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1qf7 h HIS 36 N 0.00 0.00 -3.51 7.33 2.07 -1.90 -3.45 115.15 115.69 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 0.00 0.00 -0.22 0.00 2.57 0.00 0.00 27.41 29.76 1qf7 h HIS 36 CO 0.00 0.00 -0.63 0.50 -3.07 0.00 0.00 177.93 174.73 1qf7 s ARG 37 N -3.20 3.68 0.47 5.12 6.06 -1.15 -4.99 118.95 124.94 1qf7 s ARG 37 Ca 0.07 -0.48 -0.23 0.00 -2.50 0.00 0.00 55.73 52.59 1qf7 s ARG 37 Cb 0.06 -3.20 -0.07 0.00 0.06 0.00 0.00 34.95 31.80 1qf7 s ARG 37 CO 0.66 -0.04 1.23 -1.25 -2.50 0.00 0.00 175.30 173.39 1qf7 s PRO 38 N 1.19 3.66 0.42 5.12 0.04 -1.26 -4.99 135.00 139.19 1qf7 s PRO 38 Ca 0.04 1.93 -0.25 0.00 0.04 0.00 0.00 61.00 62.76 1qf7 s PRO 38 Cb -0.14 -2.44 -0.08 0.00 0.04 0.00 0.00 34.50 31.88 1qf7 s PRO 38 CO 0.02 -0.68 1.22 0.00 0.04 0.00 0.00 177.00 177.60 1qf7 s ALA 39 N -1.44 3.12 -1.44 8.56 0.00 -1.26 -4.91 121.76 124.37 1qf7 s ALA 39 Ca 0.64 1.05 -0.09 0.00 0.00 0.00 0.00 51.96 53.57 1qf7 s ALA 39 Cb -0.33 -3.42 0.04 0.00 0.00 0.00 0.00 23.12 19.41 1qf7 s ALA 39 CO 0.40 -0.69 2.51 0.00 0.00 0.00 0.00 175.76 177.97 1qf7 n ALA 40 N -0.12 6.76 -3.52 0.00 0.00 -1.26 -4.80 120.51 117.58 1qf7 n ALA 40 Ca 0.05 -3.89 -0.13 0.00 0.00 0.00 0.00 53.44 49.47 1qf7 n ALA 40 Cb 0.46 -3.10 -0.04 0.00 0.00 0.00 0.00 19.45 16.76 1qf7 n ALA 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1qf7 s GLU 41 N 0.73 0.90 0.08 0.00 -1.05 -1.23 -4.80 118.70 113.33 1qf7 s GLU 41 Ca 0.57 -0.02 -0.31 0.00 -0.15 0.00 0.00 54.97 55.05 1qf7 s GLU 41 Cb 0.17 0.42 -0.11 0.00 -0.44 0.00 0.00 34.13 34.17 1qf7 s GLU 41 CO -0.07 -0.33 1.87 -2.30 0.95 0.00 0.00 175.26 175.38 1qf7 n PRO 42 N 0.38 2.70 -4.22 -4.83 -0.01 -1.26 -4.99 135.00 122.78 1qf7 n PRO 42 Ca -0.14 0.99 -0.16 0.00 -0.01 0.00 0.00 63.50 64.18 1qf7 n PRO 42 Cb 0.60 -2.88 -0.11 0.00 -0.01 0.00 0.00 33.50 31.10 1qf7 n PRO 42 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 175.50 176.44 1qf7 s THR 43 N 3.24 1.14 0.72 3.45 -4.23 -1.07 -4.96 115.64 113.94 1qf7 s THR 43 Ca 0.85 -1.74 -0.11 0.00 -1.18 0.00 0.00 61.69 59.50 1qf7 s THR 43 Cb -0.51 -1.51 0.02 0.00 1.34 0.00 0.00 72.50 71.85 1qf7 s THR 43 CO 0.40 -0.53 1.08 -2.16 -0.54 0.00 0.00 174.62 172.87 1qf7 s PRO 44 N -2.90 2.66 0.04 3.99 0.05 -1.26 -3.11 135.00 134.47 1qf7 s PRO 44 Ca 0.09 1.10 -0.36 0.00 0.05 0.00 0.00 61.00 61.88 1qf7 s PRO 44 Cb -0.03 -1.95 -0.15 0.00 0.05 0.00 0.00 34.50 32.42 1qf7 s PRO 44 CO 0.01 -1.33 1.54 -2.30 0.05 0.00 0.00 177.00 174.98 1qf7 n PRO 45 N -3.16 1.59 -0.30 0.56 -0.02 -1.26 -2.25 135.00 130.16 1qf7 n PRO 45 Ca 0.08 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1qf7 n PRO 45 Cb 0.53 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 3.27 1.72 0.15 -1.23 0.00 -1.26 -4.90 105.19 102.93 1qf7 n GLY 46 Ca 0.20 0.00 -0.16 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 0.20 -2.40 4.61 0.00 -1.81 -3.46 119.26 116.40 1qf7 h ALA 47 Ca 0.00 -0.77 -0.32 0.00 0.00 0.00 0.00 54.91 53.82 1qf7 h ALA 47 Cb 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.66 1qf7 h ALA 47 CO 0.00 0.82 -0.62 -0.65 0.00 0.00 0.00 179.25 178.81 1qf7 s GLN 48 N -3.04 1.35 0.37 0.00 -0.21 -1.26 -5.07 119.66 111.81 1qf7 s GLN 48 Ca -0.06 -1.73 -0.26 0.00 0.02 0.00 0.00 55.36 53.33 1qf7 s GLN 48 Cb 0.08 -0.12 -0.09 0.00 1.00 0.00 0.00 33.01 33.88 1qf7 s GLN 48 CO 0.89 -0.32 1.20 -2.14 -2.12 0.00 0.00 175.29 172.80 1qf7 s PRO 49 N -4.07 4.16 0.75 2.91 0.02 -1.26 -5.01 135.00 132.50 1qf7 s PRO 49 Ca 0.38 1.94 -0.11 0.00 0.02 0.00 0.00 61.00 63.23 1qf7 s PRO 49 Cb 0.08 -2.82 0.04 0.00 0.02 0.00 0.00 34.50 31.82 1qf7 s PRO 49 CO 0.13 -0.26 1.08 0.95 -0.33 0.00 0.00 177.00 178.58 1qf7 s THR 50 N -1.32 3.52 0.16 0.99 -4.23 -1.26 -4.61 115.64 108.90 1qf7 s THR 50 Ca 0.54 0.49 -0.14 0.00 -1.18 0.00 0.00 61.69 61.40 1qf7 s THR 50 Cb -0.33 -3.27 0.02 0.00 1.34 0.00 0.00 72.50 70.26 1qf7 s THR 50 CO 0.43 -0.65 0.41 0.00 -0.54 0.00 0.00 174.62 174.27 1qf7 s ALA 51 N -3.13 -0.66 0.23 3.99 0.00 -1.26 -4.99 121.76 115.94 1qf7 s ALA 51 Ca 0.59 -0.36 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 1qf7 s ALA 51 Cb -0.14 0.79 -0.15 0.00 0.00 0.00 0.00 23.12 23.62 1qf7 s ALA 51 CO 0.54 -0.70 0.99 -2.30 0.00 0.00 0.00 175.76 174.28 1qf7 n PRO 52 N -0.26 1.06 -0.35 0.00 -0.02 -1.26 -4.65 135.00 129.51 1qf7 n PRO 52 Ca -0.11 0.37 0.11 0.00 -2.02 0.00 0.00 63.50 61.85 1qf7 n PRO 52 Cb 0.63 -1.73 0.30 0.00 -0.02 0.00 0.00 33.50 32.67 1qf7 n PRO 52 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1qf7 h GLY 53 N 2.31 1.72 2.00 -1.23 0.00 -1.45 -1.23 103.07 105.19 1qf7 h GLY 53 Ca -0.39 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.58 1qf7 h GLY 53 CO 0.63 -0.02 0.00 1.48 0.00 0.00 0.00 176.54 178.63 1qf7 h SER 54 N 0.79 0.00 0.18 0.19 4.64 -1.82 0.12 113.55 117.65 1qf7 h SER 54 Ca 0.55 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.52 1qf7 h SER 54 Cb 0.80 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.86 1qf7 h SER 54 CO -0.36 0.00 -1.97 0.18 -0.87 0.00 0.00 176.83 173.81 1qf7 n LEU 55 N -2.44 2.38 -0.05 5.97 4.77 -0.63 -3.39 117.00 123.61 1qf7 n LEU 55 Ca 0.04 0.23 -0.16 0.00 -0.03 0.00 0.00 56.01 56.10 1qf7 n LEU 55 Cb 0.38 -0.93 -0.06 0.00 -2.33 0.00 0.00 43.42 40.48 1qf7 n LEU 55 CO 0.28 0.79 0.39 0.50 -1.33 0.00 0.00 177.39 178.02 1qf7 h LYS 56 N 0.06 0.74 -2.09 3.23 1.63 -1.01 -3.39 116.57 115.73 1qf7 h LYS 56 Ca -0.41 -0.52 -0.57 0.00 -0.85 0.00 0.00 60.65 58.30 1qf7 h LYS 56 Cb 2.03 0.08 -0.39 0.00 -0.60 0.00 0.00 32.23 33.35 1qf7 h LYS 56 CO 0.08 1.14 -1.00 0.00 -3.45 0.00 0.00 179.45 176.23 1qf7 n ALA 57 N -2.56 2.78 0.29 5.00 0.00 0.41 -3.47 120.51 122.95 1qf7 n ALA 57 Ca -0.06 -3.63 0.17 0.00 0.00 0.00 0.00 53.44 49.92 1qf7 n ALA 57 Cb 0.63 -0.82 0.88 0.00 0.00 0.00 0.00 19.45 20.13 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 4.22 0.00 -0.10 0.00 0.13 -1.71 -2.60 132.00 131.95 1qf7 h PRO 58 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1qf7 h PRO 58 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1qf7 h PRO 58 CO 0.52 0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.09 1qf7 n ASP 59 N -3.34 1.91 -4.60 1.44 8.00 -1.26 -4.81 116.55 113.89 1qf7 n ASP 59 Ca -0.02 -1.68 -0.43 0.00 0.71 0.00 0.00 54.79 53.38 1qf7 n ASP 59 Cb 0.20 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 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 -1.89 4.53 0.28 -3.53 2.01 -0.98 -5.02 115.64 111.05 1qf7 s THR 60 Ca 0.35 1.21 0.04 0.00 0.31 0.00 0.00 61.69 63.60 1qf7 s THR 60 Cb 0.20 -4.37 -0.06 0.00 0.01 0.00 0.00 72.50 68.28 1qf7 s THR 60 CO 0.30 -0.60 0.01 -0.13 -0.69 0.00 0.00 174.62 173.52 1qf7 s ARG 61 N 3.60 1.51 0.13 4.92 0.52 -1.26 -5.01 118.95 123.36 1qf7 s ARG 61 Ca 0.40 -1.80 -0.25 0.00 -0.52 0.00 0.00 55.73 53.56 1qf7 s ARG 61 Cb -0.11 -0.83 0.07 0.00 0.52 0.00 0.00 34.95 34.60 1qf7 s ARG 61 CO 0.20 -0.11 0.83 0.54 0.02 0.00 0.00 175.30 176.79 1qf7 s ASN 62 N -3.41 -0.31 0.31 0.23 2.20 -1.26 -5.02 114.94 107.68 1qf7 s ASN 62 Ca 0.32 -0.25 0.01 0.00 -0.94 0.00 0.00 52.86 52.00 1qf7 s ASN 62 Cb 0.07 0.52 0.56 0.00 -2.00 0.00 0.00 41.25 40.40 1qf7 s ASN 62 CO 0.12 -0.91 1.93 -0.08 -2.94 0.00 0.00 177.10 175.22 1qf7 h GLU 63 N 2.00 0.95 0.11 3.55 4.81 -1.97 0.67 114.58 124.71 1qf7 h GLU 63 Ca -0.24 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1qf7 h GLU 63 Cb 1.25 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1qf7 h GLU 63 CO 0.29 0.63 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.92 1qf7 h LYS 64 N 0.98 -0.15 -0.80 1.92 1.63 -1.96 -2.07 116.57 116.13 1qf7 h LYS 64 Ca 0.36 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.21 1qf7 h LYS 64 Cb 0.18 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.80 1qf7 h LYS 64 CO -0.13 0.26 0.52 -0.07 -3.45 0.00 0.00 179.45 176.59 1qf7 h LEU 65 N -0.61 0.84 -0.70 5.20 3.38 -1.88 -1.13 115.31 120.42 1qf7 h LEU 65 Ca -0.02 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1qf7 h LEU 65 Cb 0.48 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1qf7 h LEU 65 CO 0.03 0.58 -0.34 0.78 0.09 0.00 0.00 178.44 179.57 1qf7 h ASN 66 N 0.98 0.64 0.79 -0.43 2.35 -0.83 -2.98 115.58 116.11 1qf7 h ASN 66 Ca 0.32 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1qf7 h ASN 66 Cb 0.04 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1qf7 h ASN 66 CO -0.09 0.93 0.00 -1.54 -1.65 0.00 0.00 177.43 175.08 1qf7 n SER 67 N -4.06 0.00 0.01 5.81 3.41 -0.50 -2.12 113.62 116.17 1qf7 n SER 67 Ca -0.01 0.42 0.14 0.00 -0.26 0.00 0.00 58.87 59.15 1qf7 n SER 67 Cb 0.48 -0.47 0.59 0.00 -0.26 0.00 0.00 64.21 64.56 1qf7 n SER 67 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qf7 n LEU 68 N -1.47 0.08 0.05 1.04 4.77 -0.79 -3.94 117.00 116.75 1qf7 n LEU 68 Ca 0.07 0.51 0.13 0.00 -0.03 0.00 0.00 56.01 56.69 1qf7 n LEU 68 Cb 0.27 -0.48 0.60 0.00 -2.33 0.00 0.00 43.42 41.49 1qf7 n LEU 68 CO 0.22 -0.02 1.15 -0.08 -1.33 0.00 0.00 177.39 177.33 1qf7 h GLU 69 N 0.00 0.15 0.00 3.23 4.57 -1.52 -0.45 114.58 120.57 1qf7 h GLU 69 Ca 0.00 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1qf7 h GLU 69 Cb 0.52 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1qf7 h GLU 69 CO 0.00 0.10 -0.16 0.38 -1.18 0.00 0.00 179.01 178.15 1qf7 h ASP 70 N 0.16 0.00 -0.02 1.04 2.03 -1.81 -2.80 116.42 115.02 1qf7 h ASP 70 Ca 0.18 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 1qf7 h ASP 70 Cb 0.51 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 1qf7 h ASP 70 CO -0.03 0.16 -0.23 1.33 -1.03 0.00 0.00 179.24 179.44 1qf7 n VAL 71 N -3.93 0.00 -2.16 4.15 0.24 -0.19 -4.99 118.33 111.44 1qf7 n VAL 71 Ca -0.02 -0.38 -0.40 0.00 -2.04 0.00 0.00 64.34 61.50 1qf7 n VAL 71 Cb 0.25 1.29 -0.02 0.00 -1.47 0.00 0.00 33.84 33.89 1qf7 n VAL 71 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1qf7 s ARG 72 N -1.89 4.17 0.03 7.34 0.52 -1.06 -5.03 118.95 123.02 1qf7 s ARG 72 Ca 0.18 2.07 0.09 0.00 -0.52 0.00 0.00 55.73 57.55 1qf7 s ARG 72 Cb 0.15 -2.88 -0.03 0.00 0.52 0.00 0.00 34.95 32.72 1qf7 s ARG 72 CO 0.37 -0.29 -0.25 0.15 0.02 0.00 0.00 175.30 175.30 1qf7 s LYS 73 N -2.04 1.93 0.00 3.54 1.02 -1.26 -5.05 119.74 117.87 1qf7 s LYS 73 Ca 0.53 -1.04 0.00 0.00 0.02 0.00 0.00 55.97 55.48 1qf7 s LYS 73 Cb -0.36 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 1qf7 s LYS 73 CO 0.47 0.53 0.00 0.41 -0.92 0.00 0.00 175.35 175.84 1qf7 n GLY 74 N 1.92 0.62 0.06 -3.33 0.00 -1.26 -5.07 105.19 98.14 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 -4.71 1.61 3.41 -1.26 -5.07 113.62 107.59 1qf7 n SER 75 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1qf7 n SER 75 Cb 0.00 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 1qf7 n SER 75 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qf7 n GLU 76 N -1.00 2.37 -1.05 4.33 1.02 -1.26 -1.53 120.64 123.52 1qf7 n GLU 76 Ca 0.00 0.84 -0.02 0.00 -0.02 0.00 0.00 57.16 57.96 1qf7 n GLU 76 Cb 0.00 -2.55 -0.01 0.00 -0.02 0.00 0.00 31.44 28.87 1qf7 n GLU 76 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1qf7 n ASN 77 N 1.86 -4.87 -4.76 1.62 3.02 -1.26 -5.00 115.26 105.88 1qf7 n ASN 77 Ca 0.09 0.04 -0.30 0.00 -0.03 0.00 0.00 54.58 54.39 1qf7 n ASN 77 Cb 0.35 -2.52 -0.07 0.00 -0.61 0.00 0.00 39.78 36.93 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 -1.52 3.13 0.43 3.10 2.02 -0.58 -5.10 117.35 118.83 1qf7 s TYR 78 Ca 0.00 0.03 -0.23 0.00 -0.37 0.00 0.00 57.07 56.51 1qf7 s TYR 78 Cb 0.00 -1.58 -0.09 0.00 -0.40 0.00 0.00 41.96 39.89 1qf7 s TYR 78 CO 0.00 0.51 1.04 0.00 -1.57 0.00 0.00 175.55 175.54 1qf7 s ALA 79 N -1.44 3.02 0.00 3.71 0.00 -1.26 -5.02 121.76 120.77 1qf7 s ALA 79 Ca 0.29 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.61 1qf7 s ALA 79 Cb -0.12 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 1qf7 s ALA 79 CO 0.21 -0.24 1.28 -1.17 0.00 0.00 0.00 175.76 175.85 1qf7 s LEU 80 N -2.92 4.32 0.27 0.00 2.96 -1.26 -5.00 118.68 117.04 1qf7 s LEU 80 Ca 0.61 2.00 0.03 0.00 -0.22 0.00 0.00 54.13 56.55 1qf7 s LEU 80 Cb -0.20 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 1qf7 s LEU 80 CO 0.25 -0.61 0.06 0.42 -1.32 0.00 0.00 176.35 175.15 1qf7 s THR 81 N 1.91 0.86 1.23 3.68 -4.23 -1.26 -1.20 115.64 116.64 1qf7 s THR 81 Ca 0.60 -2.01 -0.19 0.00 -1.18 0.00 0.00 61.69 58.92 1qf7 s THR 81 Cb -0.29 -2.60 0.30 0.00 1.34 0.00 0.00 72.50 71.24 1qf7 s THR 81 CO 0.26 -0.09 1.05 0.42 -0.54 0.00 0.00 174.62 175.72 1qf7 s THR 82 N -3.54 1.59 0.29 3.99 -4.23 0.45 -4.88 115.64 109.31 1qf7 s THR 82 Ca 0.35 0.00 0.33 0.00 -1.18 0.00 0.00 61.69 61.19 1qf7 s THR 82 Cb 0.08 -2.35 0.36 0.00 1.34 0.00 0.00 72.50 71.93 1qf7 s THR 82 CO 0.13 0.00 2.06 0.78 -0.54 0.00 0.00 174.62 177.05 1qf7 h ASN 83 N -2.72 0.00 -0.13 3.99 2.35 -1.98 -2.14 115.58 114.95 1qf7 h ASN 83 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1qf7 h ASN 83 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 1qf7 h ASN 83 CO 0.37 0.06 0.00 0.00 -1.65 0.00 0.00 177.43 176.21 1qf7 n GLN 84 N -3.26 1.64 -0.58 0.81 1.13 -1.26 -4.92 117.38 110.93 1qf7 n GLN 84 Ca -0.01 -0.96 0.00 0.00 -1.94 0.00 0.00 57.00 54.09 1qf7 n GLN 84 Cb 0.26 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.21 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 1.10 0.69 3.71 1.08 0.00 -0.80 -5.06 105.19 105.90 1qf7 n GLY 85 Ca 0.16 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 5.00 0.21 1.61 1.01 -1.26 -4.81 120.40 120.17 1qf7 s VAL 86 Ca 0.00 1.52 -0.30 0.00 0.00 0.00 0.00 61.98 63.20 1qf7 s VAL 86 Cb 0.00 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 1qf7 s VAL 86 CO 0.00 0.20 1.27 -0.13 0.00 0.00 0.00 175.10 176.45 1qf7 s ARG 87 N 1.08 4.42 -0.09 2.72 0.52 -1.26 -0.42 118.95 125.92 1qf7 s ARG 87 Ca 0.39 2.02 -0.19 0.00 -0.52 0.00 0.00 55.73 57.43 1qf7 s ARG 87 Cb -0.18 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 1qf7 s ARG 87 CO 0.18 -0.18 0.51 0.42 0.02 0.00 0.00 175.30 176.24 1qf7 s ILE 88 N -0.12 5.12 -0.18 1.52 1.01 -0.34 -4.88 121.20 123.32 1qf7 s ILE 88 Ca 0.54 1.03 -0.12 0.00 0.00 0.00 0.00 60.65 62.10 1qf7 s ILE 88 Cb -0.36 -3.84 -0.21 0.00 0.01 0.00 0.00 42.46 38.06 1qf7 s ILE 88 CO 0.39 0.36 0.17 0.00 0.00 0.00 0.00 174.94 175.86 1qf7 n ALA 89 N 3.38 0.94 -3.82 9.38 0.00 -1.26 -4.82 120.51 124.31 1qf7 n ALA 89 Ca -0.07 -0.66 -0.30 0.00 0.00 0.00 0.00 53.44 52.41 1qf7 n ALA 89 Cb 0.52 -0.49 -0.15 0.00 0.00 0.00 0.00 19.45 19.32 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 -6.97 4.04 -0.16 0.00 -1.08 -1.26 -4.98 116.67 106.26 1qf7 s ASP 90 Ca -0.28 -1.59 0.07 0.00 -0.52 0.00 0.00 52.55 50.23 1qf7 s ASP 90 Cb 0.07 -1.03 0.46 0.00 -1.46 0.00 0.00 42.92 40.97 1qf7 s ASP 90 CO 0.66 -0.37 1.28 -0.67 0.52 0.00 0.00 175.17 176.58 1qf7 n ASP 91 N 4.73 3.70 -0.00 -0.34 2.03 -1.26 -4.25 116.55 121.16 1qf7 n ASP 91 Ca -0.03 -2.61 0.06 0.00 0.52 0.00 0.00 54.79 52.74 1qf7 n ASP 91 Cb 0.43 -0.62 -0.09 0.00 -0.72 0.00 0.00 41.12 40.11 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 0.22 1.05 -4.05 -0.67 1.13 -1.26 -5.04 117.38 108.77 1qf7 n GLN 92 Ca 0.19 -0.09 -0.12 0.00 -1.94 0.00 0.00 57.00 55.04 1qf7 n GLN 92 Cb 0.87 -1.25 -0.11 0.00 0.11 0.00 0.00 30.24 29.85 1qf7 n GLN 92 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1qf7 s ASN 93 N -3.15 0.72 0.52 1.08 0.01 -1.26 -5.15 114.94 107.70 1qf7 s ASN 93 Ca -0.02 -0.53 -0.13 0.00 -0.71 0.00 0.00 52.86 51.47 1qf7 s ASN 93 Cb 0.09 0.05 -0.06 0.00 0.41 0.00 0.00 41.25 41.73 1qf7 s ASN 93 CO 0.54 -0.22 0.94 -0.44 -1.51 0.00 0.00 177.10 176.42 1qf7 s SER 94 N -1.51 6.45 -0.15 -1.22 0.01 -1.26 -4.98 113.70 111.04 1qf7 s SER 94 Ca -0.11 1.39 -0.26 0.00 1.31 0.00 0.00 55.95 58.28 1qf7 s SER 94 Cb -0.10 -2.44 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 1qf7 s SER 94 CO 0.00 -0.64 0.87 -0.22 0.41 0.00 0.00 173.24 173.66 1qf7 s LEU 95 N -4.43 4.20 0.15 2.44 2.96 -1.26 -5.02 118.68 117.72 1qf7 s LEU 95 Ca 0.55 1.27 0.03 0.00 -0.22 0.00 0.00 54.13 55.76 1qf7 s LEU 95 Cb -0.10 -3.30 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 1qf7 s LEU 95 CO 0.39 -0.39 -0.06 0.00 -1.32 0.00 0.00 176.35 174.97 1qf7 s ARG 96 N 2.02 1.03 -0.85 1.98 1.70 -1.26 -1.31 118.95 122.25 1qf7 s ARG 96 Ca 0.41 -1.46 -0.18 0.00 -0.47 0.00 0.00 55.73 54.03 1qf7 s ARG 96 Cb -0.17 -0.42 0.14 0.00 -0.57 0.00 0.00 34.95 33.93 1qf7 s ARG 96 CO 0.14 -0.01 1.02 0.00 -1.08 0.00 0.00 175.30 175.36 1qf7 s ALA 97 N -3.50 3.45 0.00 7.88 0.00 -1.00 -4.79 121.76 123.80 1qf7 s ALA 97 Ca 0.18 -2.71 0.00 0.00 0.00 0.00 0.00 51.96 49.43 1qf7 s ALA 97 Cb 0.04 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.26 1qf7 s ALA 97 CO 0.00 -2.80 0.00 0.41 0.00 0.00 0.00 175.76 173.38 1qf7 n GLY 98 N 5.23 0.48 0.01 0.00 0.00 -1.26 -3.78 105.19 105.87 1qf7 n GLY 98 Ca 0.16 -1.62 0.11 0.00 0.00 0.00 0.00 46.02 44.68 1qf7 n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qf7 n SER 99 N -0.55 0.07 -0.36 1.61 3.41 -1.26 -0.96 113.62 115.57 1qf7 n SER 99 Ca 0.00 0.51 0.08 0.00 -0.26 0.00 0.00 58.87 59.20 1qf7 n SER 99 Cb 0.00 -0.53 0.17 0.00 -0.26 0.00 0.00 64.21 63.60 1qf7 n SER 99 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1qf7 n ARG 100 N -1.57 1.52 -2.77 4.33 1.74 -1.26 -5.07 116.66 113.58 1qf7 n ARG 100 Ca 0.06 -2.88 -0.22 0.00 -0.77 0.00 0.00 57.85 54.03 1qf7 n ARG 100 Cb 0.28 -1.58 0.10 0.00 -1.02 0.00 0.00 32.46 30.24 1qf7 n ARG 100 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1qf7 s GLY 101 N -2.93 1.74 0.33 -0.13 0.00 -0.14 -5.05 107.32 101.13 1qf7 s GLY 101 Ca 0.35 -1.96 -0.28 0.00 0.00 0.00 0.00 44.72 42.83 1qf7 s GLY 101 CO -0.00 -1.40 1.18 2.56 0.00 0.00 0.00 173.10 175.44 1qf7 s PRO 102 N -4.99 4.39 0.31 2.90 0.04 -1.26 -4.56 135.00 131.83 1qf7 s PRO 102 Ca 0.66 1.94 -0.29 0.00 0.04 0.00 0.00 61.00 63.34 1qf7 s PRO 102 Cb -0.05 -3.00 -0.10 0.00 0.04 0.00 0.00 34.50 31.38 1qf7 s PRO 102 CO 0.43 -0.06 1.37 0.99 0.04 0.00 0.00 177.00 179.78 1qf7 s THR 103 N -1.23 2.62 0.05 1.26 2.01 -1.26 -2.39 115.64 116.70 1qf7 s THR 103 Ca 0.49 0.58 -0.12 0.00 0.31 0.00 0.00 61.69 62.95 1qf7 s THR 103 Cb -0.34 -3.37 -0.06 0.00 0.01 0.00 0.00 72.50 68.74 1qf7 s THR 103 CO 0.44 0.12 0.42 -0.76 -0.69 0.00 0.00 174.62 174.15 1qf7 s LEU 104 N -1.33 4.40 0.49 4.42 1.43 -0.42 -4.95 118.68 122.71 1qf7 s LEU 104 Ca 0.53 0.90 0.24 0.00 -1.03 0.00 0.00 54.13 54.77 1qf7 s LEU 104 Cb -0.41 -2.85 1.28 0.00 0.03 0.00 0.00 46.19 44.24 1qf7 s LEU 104 CO 0.51 0.23 2.02 0.25 0.23 0.00 0.00 176.35 179.59 1qf7 h LEU 105 N 4.12 0.00 0.00 1.79 5.85 -1.95 -2.57 115.31 122.55 1qf7 h LEU 105 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1qf7 h LEU 105 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1qf7 h LEU 105 CO 0.64 0.16 0.00 -1.84 -0.34 0.00 0.00 178.44 177.06 1qf7 n GLU 106 N -3.76 0.53 -2.37 1.25 0.28 -1.26 -4.53 120.64 110.78 1qf7 n GLU 106 Ca -0.02 0.03 -0.36 0.00 -0.16 0.00 0.00 57.16 56.65 1qf7 n GLU 106 Cb 0.27 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.60 1qf7 n GLU 106 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1qf7 s ASP 107 N -2.13 6.02 0.41 -1.84 -1.08 -0.97 -4.76 116.67 112.32 1qf7 s ASP 107 Ca 0.27 -1.41 0.22 0.00 -0.52 0.00 0.00 52.55 51.11 1qf7 s ASP 107 Cb 0.13 -2.57 0.79 0.00 -1.46 0.00 0.00 42.92 39.81 1qf7 s ASP 107 CO 0.24 -1.96 1.77 2.19 0.52 0.00 0.00 175.17 177.93 1qf7 h PHE 108 N 9.87 0.00 -0.03 -5.34 -0.00 -1.91 -2.62 116.94 116.91 1qf7 h PHE 108 Ca 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 58.17 1qf7 h PHE 108 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.93 1qf7 h PHE 108 CO 1.28 0.28 -0.05 0.82 -0.00 0.00 0.00 178.31 180.64 1qf7 h ILE 109 N 0.00 1.44 -0.01 0.88 2.04 -1.98 -1.62 117.51 118.25 1qf7 h ILE 109 Ca -0.00 -1.36 0.02 0.00 1.00 0.00 0.00 64.86 64.52 1qf7 h ILE 109 Cb 0.83 2.29 -0.03 0.00 -0.74 0.00 0.00 36.82 39.17 1qf7 h ILE 109 CO 0.04 0.36 -0.14 0.25 0.00 0.00 0.00 178.15 178.66 1qf7 h LEU 110 N -0.46 -0.41 -0.87 1.44 5.85 -1.94 -2.38 115.31 116.55 1qf7 h LEU 110 Ca 0.00 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1qf7 h LEU 110 Cb 0.62 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 1qf7 h LEU 110 CO 0.01 -0.19 0.56 0.03 -0.34 0.00 0.00 178.44 178.51 1qf7 h ARG 111 N -0.23 1.08 -0.51 1.25 3.08 -1.47 0.44 114.38 118.02 1qf7 h ARG 111 Ca 0.05 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1qf7 h ARG 111 Cb 0.29 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1qf7 h ARG 111 CO -0.15 0.71 -0.10 1.49 -1.07 0.00 0.00 179.97 180.85 1qf7 h GLU 112 N 1.11 0.94 -0.40 0.04 4.81 -1.14 0.30 114.58 120.24 1qf7 h GLU 112 Ca 0.34 -0.33 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1qf7 h GLU 112 Cb -0.03 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1qf7 h GLU 112 CO -0.11 1.00 -0.35 -0.22 -0.73 0.00 0.00 179.01 178.60 1qf7 h LYS 113 N 0.85 0.95 -0.20 1.92 3.64 -0.74 -0.78 116.57 122.22 1qf7 h LYS 113 Ca 0.14 -0.48 -0.21 0.00 -1.27 0.00 0.00 60.65 58.83 1qf7 h LYS 113 Cb 0.64 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1qf7 h LYS 113 CO 0.04 1.14 -0.70 0.82 -2.27 0.00 0.00 179.45 178.49 1qf7 h ILE 114 N 0.78 1.28 -0.24 2.00 1.08 -0.00 -2.76 117.51 119.66 1qf7 h ILE 114 Ca 0.07 -1.90 0.00 0.00 -0.39 0.00 0.00 64.86 62.65 1qf7 h ILE 114 Cb 0.95 1.86 -0.01 0.00 -3.07 0.00 0.00 36.82 36.55 1qf7 h ILE 114 CO 0.09 0.61 0.15 0.74 -0.69 0.00 0.00 178.15 179.05 1qf7 h THR 115 N 0.58 1.07 -0.51 -0.27 2.02 -0.26 0.23 112.91 115.77 1qf7 h THR 115 Ca -0.03 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1qf7 h THR 115 Cb 1.32 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1qf7 h THR 115 CO 0.15 0.07 0.33 -0.74 0.37 0.00 0.00 175.52 175.69 1qf7 h HIS 116 N 0.31 0.64 -0.27 3.16 -0.00 -1.16 -2.35 115.15 115.49 1qf7 h HIS 116 Ca 0.09 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.49 1qf7 h HIS 116 Cb -0.02 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.15 1qf7 h HIS 116 CO -0.06 0.42 0.13 0.35 -0.00 0.00 0.00 177.93 178.77 1qf7 h PHE 117 N 0.68 0.23 -0.17 5.26 3.57 -1.23 -2.53 116.94 122.77 1qf7 h PHE 117 Ca 0.18 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.74 1qf7 h PHE 117 Cb -0.06 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1qf7 h PHE 117 CO -0.04 0.13 0.17 -0.44 -2.23 0.00 0.00 178.31 175.90 1qf7 h ASP 118 N 0.27 0.00 -0.34 0.41 3.32 -0.20 -2.53 116.42 117.34 1qf7 h ASP 118 Ca 0.11 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 1qf7 h ASP 118 Cb 0.04 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 1qf7 h ASP 118 CO -0.08 0.00 0.02 1.41 -1.72 0.00 0.00 179.24 178.87 1qf7 n HIS 119 N -3.93 1.16 -0.17 4.55 8.25 -0.92 -4.75 115.22 119.41 1qf7 n HIS 119 Ca 0.01 -1.15 -0.04 0.00 -0.26 0.00 0.00 57.72 56.27 1qf7 n HIS 119 Cb 0.29 -0.42 0.14 0.00 1.12 0.00 0.00 29.99 31.13 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 1.58 0.94 -6.73 -0.41 5.08 -1.17 -3.45 114.58 110.41 1qf7 h GLU 120 Ca 0.11 -0.20 -0.49 0.00 -1.00 0.00 0.00 59.36 57.77 1qf7 h GLU 120 Cb 1.62 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.71 1qf7 h GLU 120 CO 0.34 0.83 0.18 1.03 -1.00 0.00 0.00 179.01 180.39 1qf7 s ARG 121 N -5.26 4.25 0.23 2.33 1.81 -1.26 -5.09 118.95 115.96 1qf7 s ARG 121 Ca -0.11 0.94 0.09 0.00 -1.72 0.00 0.00 55.73 54.93 1qf7 s ARG 121 Cb 0.15 -2.67 -0.05 0.00 -0.45 0.00 0.00 34.95 31.93 1qf7 s ARG 121 CO 0.82 0.26 -0.16 0.96 -0.68 0.00 0.00 175.30 176.50 1qf7 s ILE 122 N -1.73 1.97 0.38 1.52 -4.36 -1.26 -5.12 121.20 112.60 1qf7 s ILE 122 Ca 0.49 -2.27 -0.28 0.00 -0.26 0.00 0.00 60.65 58.33 1qf7 s ILE 122 Cb -0.15 -2.13 -0.10 0.00 1.25 0.00 0.00 42.46 41.33 1qf7 s ILE 122 CO 0.20 -0.53 1.45 -2.84 0.24 0.00 0.00 174.94 173.46 1qf7 s PRO 123 N -3.60 4.06 0.77 0.37 0.02 -1.26 -4.99 135.00 130.37 1qf7 s PRO 123 Ca 0.25 2.50 -0.12 0.00 0.02 0.00 0.00 61.00 63.65 1qf7 s PRO 123 Cb -0.02 -2.92 0.05 0.00 0.02 0.00 0.00 34.50 31.63 1qf7 s PRO 123 CO 0.09 -0.54 1.12 -1.83 -0.33 0.00 0.00 177.00 175.51 1qf7 s GLU 124 N -2.13 2.32 0.36 5.54 -1.05 -1.26 -4.86 118.70 117.61 1qf7 s GLU 124 Ca 0.54 0.41 -0.29 0.00 -0.15 0.00 0.00 54.97 55.48 1qf7 s GLU 124 Cb -0.45 -1.96 -0.11 0.00 -0.44 0.00 0.00 34.13 31.16 1qf7 s GLU 124 CO 0.61 -1.41 1.52 0.54 0.95 0.00 0.00 175.26 177.47 1qf7 n ARG 125 N -3.25 2.71 -0.32 -4.83 1.74 -1.26 -4.91 116.66 106.54 1qf7 n ARG 125 Ca 0.07 0.95 0.00 0.00 -0.77 0.00 0.00 57.85 58.11 1qf7 n ARG 125 Cb 0.58 -2.70 0.14 0.00 -1.02 0.00 0.00 32.46 29.45 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 3.07 1.09 -3.41 0.55 3.07 -1.98 -3.33 117.51 116.55 1qf7 h ILE 126 Ca -0.50 -0.36 -0.45 0.00 1.55 0.00 0.00 64.86 65.10 1qf7 h ILE 126 Cb 1.24 -0.06 -0.18 0.00 -0.27 0.00 0.00 36.82 37.55 1qf7 h ILE 126 CO 0.68 0.19 -0.76 0.68 -1.05 0.00 0.00 178.15 177.89 1qf7 s VAL 127 N -6.07 1.52 -1.40 0.16 -7.23 -1.26 -4.80 120.40 101.32 1qf7 s VAL 127 Ca -0.13 -1.85 -0.04 0.00 -1.81 0.00 0.00 61.98 58.16 1qf7 s VAL 127 Cb 0.18 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 35.43 1qf7 s VAL 127 CO 0.80 -0.42 0.53 1.41 -0.31 0.00 0.00 175.10 177.11 1qf7 n HIS 128 N 0.33 -1.73 0.12 2.82 8.25 -0.45 -4.89 115.22 119.67 1qf7 n HIS 128 Ca -0.14 0.45 0.03 0.00 -0.26 0.00 0.00 57.72 57.81 1qf7 n HIS 128 Cb 0.57 -4.12 0.42 0.00 1.12 0.00 0.00 29.99 27.98 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 1.59 -2.31 -1.41 0.00 -1.69 -3.40 119.26 112.94 1qf7 h ALA 129 Ca -0.47 -0.16 -0.65 0.00 0.00 0.00 0.00 54.91 53.63 1qf7 h ALA 129 Cb 1.33 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 1qf7 h ALA 129 CO 0.51 0.30 0.05 0.50 0.00 0.00 0.00 179.25 180.61 1qf7 s ARG 130 N -4.85 3.46 0.08 0.00 6.06 -1.24 -3.97 118.95 118.49 1qf7 s ARG 130 Ca -0.06 -0.24 -0.26 0.00 -2.50 0.00 0.00 55.73 52.68 1qf7 s ARG 130 Cb 0.16 -3.88 0.09 0.00 0.06 0.00 0.00 34.95 31.38 1qf7 s ARG 130 CO 0.72 -0.82 0.76 0.20 -2.50 0.00 0.00 175.30 173.67 1qf7 s GLY 131 N 1.87 -0.51 -0.05 8.12 0.00 -1.26 -1.16 107.32 114.32 1qf7 s GLY 131 Ca 0.21 0.73 0.05 0.00 0.00 0.00 0.00 44.72 45.71 1qf7 s GLY 131 CO 0.16 0.24 -0.19 -0.56 0.00 0.00 0.00 173.10 172.75 1qf7 s SER 132 N -2.62 2.40 0.09 1.64 0.01 0.10 -4.93 113.70 110.39 1qf7 s SER 132 Ca 0.04 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 56.93 1qf7 s SER 132 Cb -0.01 -0.72 -0.04 0.00 0.21 0.00 0.00 66.02 65.46 1qf7 s SER 132 CO -0.10 0.17 -0.09 0.00 0.41 0.00 0.00 173.24 173.63 1qf7 s ALA 133 N 0.06 1.02 0.06 1.44 0.00 -1.26 -0.25 121.76 122.83 1qf7 s ALA 133 Ca -0.06 -1.20 -0.16 0.00 0.00 0.00 0.00 51.96 50.54 1qf7 s ALA 133 Cb -0.13 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.09 1qf7 s ALA 133 CO 0.03 -0.10 0.37 0.00 0.00 0.00 0.00 175.76 176.06 1qf7 s ALA 134 N -2.73 -0.87 0.33 0.00 0.00 -0.58 -4.55 121.76 113.37 1qf7 s ALA 134 Ca 0.06 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.04 1qf7 s ALA 134 Cb -0.01 0.39 -0.07 0.00 0.00 0.00 0.00 23.12 23.43 1qf7 s ALA 134 CO -0.01 -0.47 0.70 -1.01 0.00 0.00 0.00 175.76 174.96 1qf7 s HIS 135 N -2.73 3.42 0.00 0.00 3.76 0.07 -0.87 115.29 118.95 1qf7 s HIS 135 Ca -0.04 1.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.92 1qf7 s HIS 135 Cb -0.00 -2.42 0.00 0.00 1.11 0.00 0.00 32.58 31.27 1qf7 s HIS 135 CO -0.04 0.07 0.00 0.41 -0.85 0.00 0.00 174.74 174.32 1qf7 n GLY 136 N -0.69 2.23 3.35 -2.22 0.00 -0.55 -1.65 105.19 105.66 1qf7 n GLY 136 Ca 0.02 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.46 -0.31 0.08 1.61 1.13 -0.53 -1.12 117.35 116.75 1qf7 s TYR 137 Ca 0.00 0.11 0.05 0.00 -1.41 0.00 0.00 57.07 55.83 1qf7 s TYR 137 Cb 0.00 0.33 -0.03 0.00 -1.10 0.00 0.00 41.96 41.16 1qf7 s TYR 137 CO 0.00 -0.71 -0.15 0.12 -2.51 0.00 0.00 175.55 172.31 1qf7 s PHE 138 N -3.42 1.27 -0.16 -3.49 5.36 0.25 -0.70 117.98 117.09 1qf7 s PHE 138 Ca 0.00 -0.47 -0.13 0.00 -0.96 0.00 0.00 56.93 55.37 1qf7 s PHE 138 Cb 0.01 -0.71 0.04 0.00 -0.34 0.00 0.00 43.02 42.02 1qf7 s PHE 138 CO -0.09 0.07 0.41 -1.14 -1.46 0.00 0.00 175.22 173.01 1qf7 s GLN 139 N -1.86 0.46 0.64 10.12 0.74 -0.98 -0.47 119.66 128.31 1qf7 s GLN 139 Ca -0.00 0.62 -0.13 0.00 0.05 0.00 0.00 55.36 55.89 1qf7 s GLN 139 Cb -0.09 0.18 -0.02 0.00 1.10 0.00 0.00 33.01 34.18 1qf7 s GLN 139 CO 0.02 -0.08 1.05 -1.25 -0.55 0.00 0.00 175.29 174.48 1qf7 s PRO 140 N 0.47 3.22 0.37 1.67 0.04 -1.26 -1.34 135.00 138.17 1qf7 s PRO 140 Ca -0.02 1.03 0.20 0.00 0.04 0.00 0.00 61.00 62.25 1qf7 s PRO 140 Cb -0.04 -2.03 0.25 0.00 0.04 0.00 0.00 34.50 32.72 1qf7 s PRO 140 CO -0.02 -0.88 1.55 1.88 0.04 0.00 0.00 177.00 179.57 1qf7 h TYR 141 N -0.12 0.00 -2.39 0.56 0.05 -1.09 -3.39 116.97 110.59 1qf7 h TYR 141 Ca -0.45 0.00 0.14 0.00 0.05 0.00 0.00 58.73 58.47 1qf7 h TYR 141 Cb 1.21 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.85 1qf7 h TYR 141 CO 0.61 0.23 0.46 -1.59 -1.05 0.00 0.00 178.16 176.82 1qf7 s LYS 142 N -3.12 1.11 0.09 4.88 -2.85 -1.26 -4.84 119.74 113.76 1qf7 s LYS 142 Ca 0.05 -0.56 -0.31 0.00 -1.00 0.00 0.00 55.97 54.16 1qf7 s LYS 142 Cb 0.06 0.42 -0.08 0.00 -2.06 0.00 0.00 37.83 36.17 1qf7 s LYS 142 CO 0.70 -0.50 1.50 0.45 0.10 0.00 0.00 175.35 177.60 1qf7 s SER 143 N -2.79 6.72 -0.35 0.03 0.15 -1.26 -4.57 113.70 111.63 1qf7 s SER 143 Ca 0.09 2.39 0.09 0.00 0.70 0.00 0.00 55.95 59.22 1qf7 s SER 143 Cb -0.01 -2.58 0.72 0.00 -1.71 0.00 0.00 66.02 62.43 1qf7 s SER 143 CO -0.02 -0.76 1.81 0.18 1.20 0.00 0.00 173.24 175.65 1qf7 n LEU 144 N 4.65 6.08 0.34 3.45 4.77 -0.44 -4.69 117.00 131.15 1qf7 n LEU 144 Ca 0.13 -3.33 0.22 0.00 -0.03 0.00 0.00 56.01 53.01 1qf7 n LEU 144 Cb 0.41 -0.75 1.20 0.00 -2.33 0.00 0.00 43.42 41.94 1qf7 n LEU 144 CO 0.60 0.88 1.18 0.77 -1.33 0.00 0.00 177.39 179.49 1qf7 h SER 145 N 2.23 0.00 0.67 -1.43 4.64 -1.79 0.31 113.55 118.18 1qf7 h SER 145 Ca 0.33 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.59 1qf7 h SER 145 Cb 2.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.47 1qf7 h SER 145 CO 0.79 0.00 -0.30 0.44 -0.87 0.00 0.00 176.83 176.89 1qf7 h ASP 146 N 0.00 0.00 0.00 4.97 3.32 -1.99 -3.30 116.42 119.42 1qf7 h ASP 146 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1qf7 h ASP 146 Cb 0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1qf7 h ASP 146 CO 0.00 0.30 -1.33 2.30 -1.72 0.00 0.00 179.24 178.79 1qf7 n ILE 147 N -3.63 0.04 -3.75 0.35 -5.35 -0.08 -4.85 119.36 102.08 1qf7 n ILE 147 Ca -0.01 -0.17 -0.13 0.00 -0.27 0.00 0.00 62.75 62.17 1qf7 n ILE 147 Cb 0.42 0.24 -0.10 0.00 -1.74 0.00 0.00 39.64 38.46 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 -2.46 0.02 -1.56 7.28 -1.32 -0.17 -3.39 115.64 114.04 1qf7 s THR 148 Ca -0.03 -0.13 0.13 0.00 -1.21 0.00 0.00 61.69 60.46 1qf7 s THR 148 Cb 0.04 -0.52 0.47 0.00 -1.51 0.00 0.00 72.50 70.98 1qf7 s THR 148 CO 0.29 -0.07 1.35 2.29 -2.21 0.00 0.00 174.62 176.27 1qf7 n LYS 149 N 2.46 2.57 -1.81 7.08 2.85 -0.23 -3.75 118.16 127.33 1qf7 n LYS 149 Ca -0.15 -1.87 -0.42 0.00 -1.05 0.00 0.00 58.31 54.82 1qf7 n LYS 149 Cb 0.57 -1.57 -0.03 0.00 -0.65 0.00 0.00 35.03 33.35 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 -1.59 3.69 0.25 0.58 0.00 -1.23 -4.64 121.76 118.83 1qf7 s ALA 150 Ca 0.34 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1qf7 s ALA 150 Cb 0.20 -3.76 0.32 0.00 0.00 0.00 0.00 23.12 19.88 1qf7 s ALA 150 CO 0.19 -1.27 1.67 0.22 0.00 0.00 0.00 175.76 176.57 1qf7 h ASP 151 N 9.01 0.58 0.48 0.00 3.58 -1.92 -1.92 116.42 126.23 1qf7 h ASP 151 Ca -0.45 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 56.79 1qf7 h ASP 151 Cb 1.21 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.10 1qf7 h ASP 151 CO 0.94 0.83 0.00 2.22 -2.88 0.00 0.00 179.24 180.35 1qf7 n PHE 152 N -4.10 0.40 -0.03 0.28 -1.74 -1.26 -1.71 117.46 109.30 1qf7 n PHE 152 Ca -0.00 0.17 0.09 0.00 -0.56 0.00 0.00 57.45 57.14 1qf7 n PHE 152 Cb 0.43 -0.77 0.19 0.00 1.52 0.00 0.00 39.48 40.85 1qf7 n PHE 152 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1qf7 n LEU 153 N -1.88 3.17 -0.08 5.98 4.77 -0.73 -4.66 117.00 123.57 1qf7 n LEU 153 Ca 0.02 -1.75 0.13 0.00 -0.03 0.00 0.00 56.01 54.38 1qf7 n LEU 153 Cb 0.16 -0.27 0.41 0.00 -2.33 0.00 0.00 43.42 41.39 1qf7 n LEU 153 CO 0.14 0.75 0.66 -1.54 -1.33 0.00 0.00 177.39 176.07 1qf7 n SER 154 N 1.03 0.54 -3.65 -1.43 3.41 -0.70 -1.33 113.62 111.49 1qf7 n SER 154 Ca 0.16 -0.35 -0.08 0.00 -0.26 0.00 0.00 58.87 58.34 1qf7 n SER 154 Cb 0.50 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.42 1qf7 n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qf7 s ASP 155 N -2.78 -0.87 0.29 4.04 -1.08 -1.26 -4.49 116.67 110.51 1qf7 s ASP 155 Ca 0.18 1.43 0.24 0.00 -0.52 0.00 0.00 52.55 53.88 1qf7 s ASP 155 Cb 0.19 1.32 1.04 0.00 -1.46 0.00 0.00 42.92 44.01 1qf7 s ASP 155 CO 0.59 -0.23 1.72 -0.81 0.52 0.00 0.00 175.17 176.95 1qf7 n PRO 156 N 4.12 0.20 -0.02 4.34 -0.04 -1.26 -1.18 135.00 141.16 1qf7 n PRO 156 Ca -0.20 0.47 0.13 0.00 -0.04 0.00 0.00 63.50 63.87 1qf7 n PRO 156 Cb 0.58 -1.91 0.34 0.00 -0.04 0.00 0.00 33.50 32.47 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 -2.29 2.18 -4.56 3.54 5.03 -1.26 -4.51 115.26 113.39 1qf7 n ASN 157 Ca 0.01 -1.73 -0.42 0.00 0.87 0.00 0.00 54.58 53.32 1qf7 n ASN 157 Cb 0.20 -0.02 -0.07 0.00 -1.02 0.00 0.00 39.78 38.87 1qf7 n ASN 157 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1qf7 s LYS 158 N -1.96 3.61 -0.16 3.52 2.20 -0.32 -5.03 119.74 121.60 1qf7 s LYS 158 Ca 0.34 -0.05 -0.15 0.00 -0.36 0.00 0.00 55.97 55.75 1qf7 s LYS 158 Cb 0.20 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1qf7 s LYS 158 CO 0.32 -0.76 0.34 0.42 -0.36 0.00 0.00 175.35 175.31 1qf7 s ILE 159 N 2.67 5.27 -0.19 5.43 1.01 -1.26 -4.50 121.20 129.62 1qf7 s ILE 159 Ca 0.23 0.65 -0.03 0.00 0.00 0.00 0.00 60.65 61.50 1qf7 s ILE 159 Cb -0.15 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1qf7 s ILE 159 CO 0.15 0.36 -0.06 -0.89 0.00 0.00 0.00 174.94 174.50 1qf7 s THR 160 N 0.58 3.36 0.47 2.92 2.01 0.38 -4.95 115.64 120.41 1qf7 s THR 160 Ca 0.19 -0.51 -0.23 0.00 0.31 0.00 0.00 61.69 61.44 1qf7 s THR 160 Cb -0.14 -2.50 -0.07 0.00 0.01 0.00 0.00 72.50 69.81 1qf7 s THR 160 CO 0.06 0.45 1.23 -2.84 -0.69 0.00 0.00 174.62 172.83 1qf7 s PRO 161 N 1.09 3.67 0.11 4.92 0.02 -1.26 -0.59 135.00 142.96 1qf7 s PRO 161 Ca 0.01 1.94 0.03 0.00 0.02 0.00 0.00 61.00 63.00 1qf7 s PRO 161 Cb -0.15 -2.45 -0.04 0.00 0.02 0.00 0.00 34.50 31.89 1qf7 s PRO 161 CO -0.01 -0.67 -0.08 0.14 -0.33 0.00 0.00 177.00 176.05 1qf7 s VAL 162 N -1.44 0.84 -0.09 3.83 -7.23 -0.27 -1.41 120.40 114.62 1qf7 s VAL 162 Ca 0.64 -1.91 -0.01 0.00 -1.81 0.00 0.00 61.98 58.89 1qf7 s VAL 162 Cb -0.33 -1.66 0.03 0.00 0.56 0.00 0.00 36.38 34.98 1qf7 s VAL 162 CO 0.40 -0.79 -0.04 0.12 -0.31 0.00 0.00 175.10 174.48 1qf7 s PHE 163 N -3.35 1.03 -0.08 2.82 5.36 -0.79 -1.48 117.98 121.49 1qf7 s PHE 163 Ca 0.12 -0.42 0.03 0.00 -0.96 0.00 0.00 56.93 55.69 1qf7 s PHE 163 Cb 0.03 -0.99 -0.02 0.00 -0.34 0.00 0.00 43.02 41.71 1qf7 s PHE 163 CO -0.03 -0.40 -0.15 0.08 -1.46 0.00 0.00 175.22 173.26 1qf7 s VAL 164 N 1.79 2.91 -0.13 3.12 1.01 -0.05 -0.72 120.40 128.34 1qf7 s VAL 164 Ca 0.04 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1qf7 s VAL 164 Cb -0.12 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.11 1qf7 s VAL 164 CO -0.06 0.56 -0.18 -0.60 0.00 0.00 0.00 175.10 174.82 1qf7 s ARG 165 N -0.26 2.58 0.10 2.72 3.52 0.36 -1.52 118.95 126.45 1qf7 s ARG 165 Ca 0.01 -0.69 0.03 0.00 -0.13 0.00 0.00 55.73 54.95 1qf7 s ARG 165 Cb -0.13 -2.16 -0.04 0.00 -1.56 0.00 0.00 34.95 31.07 1qf7 s ARG 165 CO 0.03 -0.07 0.16 -0.06 -0.81 0.00 0.00 175.30 174.55 1qf7 s PHE 166 N 0.98 3.32 0.34 5.12 0.08 0.66 -1.49 117.98 126.98 1qf7 s PHE 166 Ca -0.05 0.11 -0.18 0.00 0.12 0.00 0.00 56.93 56.93 1qf7 s PHE 166 Cb -0.15 -1.64 0.04 0.00 -0.57 0.00 0.00 43.02 40.70 1qf7 s PHE 166 CO -0.03 0.54 0.75 -1.54 -0.10 0.00 0.00 175.22 174.84 1qf7 s SER 167 N -2.71 -0.11 0.00 1.36 1.04 -0.83 0.00 113.70 112.46 1qf7 s SER 167 Ca 0.32 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1qf7 s SER 167 Cb -0.12 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1qf7 s SER 167 CO 0.25 -1.53 0.00 0.35 0.98 0.00 0.00 173.24 173.29 1qf7 n THR 168 N -0.50 0.00 -0.01 2.02 -2.24 -0.31 0.38 114.28 113.63 1qf7 n THR 168 Ca -0.06 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.69 1qf7 n THR 168 Cb 0.60 -0.87 -0.01 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 -0.79 0.13 0.01 2.28 0.31 -1.23 -3.94 118.33 115.10 1qf7 n VAL 169 Ca 0.00 -0.03 -0.19 0.00 -0.01 0.00 0.00 64.34 64.11 1qf7 n VAL 169 Cb 0.00 -1.43 -0.14 0.00 -0.91 0.00 0.00 33.84 31.36 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 -0.08 0.21 -7.34 5.55 -0.00 -1.96 -1.20 115.11 110.30 1qf7 h GLN 170 Ca -0.06 -0.36 -0.51 0.00 -0.00 0.00 0.00 58.65 57.72 1qf7 h GLN 170 Cb 1.06 0.13 0.10 0.00 0.00 0.00 0.00 27.48 28.77 1qf7 h GLN 170 CO -0.03 1.17 0.36 0.20 0.00 0.00 0.00 178.83 180.53 1qf7 s GLY 171 N -4.45 1.67 1.12 2.39 0.00 -1.26 -4.77 107.32 102.02 1qf7 s GLY 171 Ca -0.16 0.10 -0.13 0.00 0.00 0.00 0.00 44.72 44.53 1qf7 s GLY 171 CO 0.78 0.42 1.05 -0.32 0.00 0.00 0.00 173.10 175.03 1qf7 s GLY 172 N -3.73 1.55 0.54 0.20 0.00 -1.26 -3.70 107.32 100.92 1qf7 s GLY 172 Ca 0.59 -0.19 0.23 0.00 0.00 0.00 0.00 44.72 45.34 1qf7 s GLY 172 CO 0.55 0.49 2.07 0.00 0.00 0.00 0.00 173.10 176.22 1qf7 h ALA 173 N -2.42 2.17 -0.25 3.20 0.00 -1.95 -1.75 119.26 118.27 1qf7 h ALA 173 Ca -0.59 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1qf7 h ALA 173 Cb 1.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1qf7 h ALA 173 CO 0.52 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.83 1qf7 n GLY 174 N -1.55 0.75 2.92 0.00 0.00 -1.26 -4.76 105.19 101.29 1qf7 n GLY 174 Ca 0.04 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 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 0.69 0.17 -4.91 1.61 3.41 -0.66 -5.06 113.62 108.88 1qf7 n SER 175 Ca 0.17 -1.42 -0.28 0.00 -0.26 0.00 0.00 58.87 57.08 1qf7 n SER 175 Cb 0.41 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.59 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 -3.88 3.59 -0.02 7.33 0.00 -1.26 -4.92 121.76 122.59 1qf7 s ALA 176 Ca 0.56 -0.56 -0.18 0.00 0.00 0.00 0.00 51.96 51.78 1qf7 s ALA 176 Cb -0.02 -2.34 -0.33 0.00 0.00 0.00 0.00 23.12 20.44 1qf7 s ALA 176 CO 0.39 0.14 0.90 -0.44 0.00 0.00 0.00 175.76 176.76 1qf7 h ASP 177 N 1.42 0.65 -0.65 0.00 3.32 -1.26 -3.38 116.42 116.53 1qf7 h ASP 177 Ca -0.48 -0.93 -0.39 0.00 0.02 0.00 0.00 57.03 55.25 1qf7 h ASP 177 Cb 1.19 -0.21 -0.16 0.00 0.22 0.00 0.00 39.33 40.37 1qf7 h ASP 177 CO 0.65 1.58 0.44 0.35 -1.72 0.00 0.00 179.24 180.55 1qf7 n THR 178 N -3.89 2.97 -1.38 0.35 -2.24 -1.26 -4.92 114.28 103.90 1qf7 n THR 178 Ca -0.17 -2.05 -0.29 0.00 -2.27 0.00 0.00 64.05 59.28 1qf7 n THR 178 Cb 0.98 -1.38 0.16 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.46 1.99 -0.32 2.28 -7.23 -1.26 -4.41 120.40 108.99 1qf7 s VAL 179 Ca 0.40 0.00 -0.22 0.00 -1.81 0.00 0.00 61.98 60.35 1qf7 s VAL 179 Cb 0.29 -2.65 -0.00 0.00 0.56 0.00 0.00 36.38 34.59 1qf7 s VAL 179 CO -0.05 0.00 0.70 -0.60 -0.31 0.00 0.00 175.10 174.84 1qf7 s ARG 180 N -5.17 3.88 0.11 4.82 3.52 -1.26 -4.55 118.95 120.30 1qf7 s ARG 180 Ca 0.65 0.37 -0.26 0.00 -0.13 0.00 0.00 55.73 56.36 1qf7 s ARG 180 Cb -0.16 -3.75 0.08 0.00 -1.56 0.00 0.00 34.95 29.57 1qf7 s ARG 180 CO 0.55 -0.66 1.10 0.34 -0.81 0.00 0.00 175.30 175.82 1qf7 s ASP 181 N 1.67 -0.06 0.61 -2.12 -1.08 -0.87 -4.58 116.67 110.24 1qf7 s ASP 181 Ca 0.28 -0.42 -0.12 0.00 -0.52 0.00 0.00 52.55 51.77 1qf7 s ASP 181 Cb -0.14 0.38 -0.04 0.00 -1.46 0.00 0.00 42.92 41.66 1qf7 s ASP 181 CO 0.13 -0.73 1.03 -0.63 0.52 0.00 0.00 175.17 175.49 1qf7 s ILE 182 N -2.54 4.50 -0.06 4.11 -1.09 -1.26 -4.55 121.20 120.31 1qf7 s ILE 182 Ca 0.18 0.91 0.03 0.00 -2.23 0.00 0.00 60.65 59.54 1qf7 s ILE 182 Cb -0.00 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 1qf7 s ILE 182 CO 0.02 -0.96 -0.12 -0.13 -1.23 0.00 0.00 174.94 172.51 1qf7 s ARG 183 N -4.85 2.59 0.44 2.79 1.81 -1.26 -3.50 118.95 116.97 1qf7 s ARG 183 Ca 0.57 -0.65 -0.14 0.00 -1.72 0.00 0.00 55.73 53.79 1qf7 s ARG 183 Cb -0.12 -2.44 -0.07 0.00 -0.45 0.00 0.00 34.95 31.87 1qf7 s ARG 183 CO 0.48 0.63 0.86 0.20 -0.68 0.00 0.00 175.30 176.79 1qf7 s GLY 184 N -0.73 2.03 -0.36 -3.53 0.00 0.16 -0.49 107.32 104.40 1qf7 s GLY 184 Ca 0.11 -0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.84 1qf7 s GLY 184 CO 0.01 0.21 0.36 -0.12 0.00 0.00 0.00 173.10 173.57 1qf7 s PHE 185 N -2.44 -0.30 -0.15 1.90 2.19 0.18 -1.97 117.98 117.39 1qf7 s PHE 185 Ca 0.55 -0.76 -0.03 0.00 0.33 0.00 0.00 56.93 57.02 1qf7 s PHE 185 Cb -0.10 -0.42 -0.03 0.00 -1.31 0.00 0.00 43.02 41.16 1qf7 s PHE 185 CO 0.30 -0.96 -0.05 0.00 1.83 0.00 0.00 175.22 176.34 1qf7 s ALA 186 N 1.54 2.97 -0.13 11.12 0.00 -0.56 -1.26 121.76 135.44 1qf7 s ALA 186 Ca 0.16 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1qf7 s ALA 186 Cb -0.15 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.48 1qf7 s ALA 186 CO -0.07 0.25 -0.15 0.99 0.00 0.00 0.00 175.76 176.78 1qf7 s THR 187 N 0.26 1.58 -0.35 0.00 2.01 -0.23 -0.49 115.64 118.43 1qf7 s THR 187 Ca -0.04 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.18 1qf7 s THR 187 Cb -0.14 -1.45 -0.00 0.00 0.01 0.00 0.00 72.50 70.91 1qf7 s THR 187 CO 0.03 0.46 0.22 -0.75 -0.69 0.00 0.00 174.62 173.89 1qf7 s LYS 188 N 1.18 3.25 -0.25 4.92 2.20 0.10 -0.40 119.74 130.75 1qf7 s LYS 188 Ca -0.02 -0.80 -0.16 0.00 -0.36 0.00 0.00 55.97 54.63 1qf7 s LYS 188 Cb -0.14 -3.75 -0.03 0.00 -1.51 0.00 0.00 37.83 32.40 1qf7 s LYS 188 CO -0.05 -0.53 0.44 -0.06 -0.36 0.00 0.00 175.35 174.79 1qf7 s PHE 189 N 1.65 3.28 -1.07 4.03 0.40 0.09 -1.88 117.98 124.48 1qf7 s PHE 189 Ca 0.05 0.56 -0.13 0.00 -0.60 0.00 0.00 56.93 56.80 1qf7 s PHE 189 Cb -0.18 -2.63 0.20 0.00 0.51 0.00 0.00 43.02 40.93 1qf7 s PHE 189 CO 0.08 -0.20 1.19 0.71 0.70 0.00 0.00 175.22 177.70 1qf7 s TYR 190 N 2.00 3.71 0.70 0.36 2.02 -0.50 -1.54 117.35 124.10 1qf7 s TYR 190 Ca 0.19 -2.15 -0.06 0.00 -0.37 0.00 0.00 57.07 54.67 1qf7 s TYR 190 Cb -0.15 -4.09 0.06 0.00 -0.40 0.00 0.00 41.96 37.37 1qf7 s TYR 190 CO 0.09 -1.22 1.01 0.95 -1.57 0.00 0.00 175.55 174.81 1qf7 s THR 191 N 0.72 2.28 -0.80 -0.71 -4.23 -0.95 -4.30 115.64 107.64 1qf7 s THR 191 Ca 0.34 -0.28 0.24 0.00 -1.18 0.00 0.00 61.69 60.81 1qf7 s THR 191 Cb -0.06 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 71.01 1qf7 s THR 191 CO -0.05 0.00 1.74 -0.62 -0.54 0.00 0.00 174.62 175.15 1qf7 n GLU 192 N -2.91 0.12 -0.52 3.99 1.02 -1.26 -3.14 120.64 117.93 1qf7 n GLU 192 Ca 0.08 0.21 0.05 0.00 -0.02 0.00 0.00 57.16 57.48 1qf7 n GLU 192 Cb 0.60 -1.67 0.20 0.00 -0.02 0.00 0.00 31.44 30.55 1qf7 n GLU 192 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1qf7 n GLU 193 N -1.89 1.62 0.00 3.49 1.02 -1.26 -4.86 120.64 118.76 1qf7 n GLU 193 Ca 0.05 -3.13 0.00 0.00 -0.02 0.00 0.00 57.16 54.06 1qf7 n GLU 193 Cb 0.31 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.16 2.90 3.73 0.62 0.00 -1.19 -4.76 105.19 105.34 1qf7 n GLY 194 Ca 0.21 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.18 4.21 -0.22 -0.61 -1.09 -1.26 -2.24 121.20 117.82 1qf7 s ILE 195 Ca 0.00 1.81 0.02 0.00 -2.23 0.00 0.00 60.65 60.25 1qf7 s ILE 195 Cb 0.00 -4.16 0.04 0.00 -1.58 0.00 0.00 42.46 36.76 1qf7 s ILE 195 CO 0.00 0.27 -0.15 0.12 -1.23 0.00 0.00 174.94 173.94 1qf7 s PHE 196 N 0.10 2.97 -0.27 3.97 5.36 -0.59 -4.29 117.98 125.23 1qf7 s PHE 196 Ca 0.50 -1.94 -0.11 0.00 -0.96 0.00 0.00 56.93 54.41 1qf7 s PHE 196 Cb -0.26 -1.90 -0.05 0.00 -0.34 0.00 0.00 43.02 40.46 1qf7 s PHE 196 CO 0.32 -0.84 0.20 -0.51 -1.46 0.00 0.00 175.22 172.93 1qf7 s ASP 197 N 1.21 6.05 -0.48 6.13 1.01 -0.61 -0.73 116.67 129.26 1qf7 s ASP 197 Ca -0.02 0.03 -0.14 0.00 0.71 0.00 0.00 52.55 53.13 1qf7 s ASP 197 Cb -0.16 -2.13 0.09 0.00 1.01 0.00 0.00 42.92 41.73 1qf7 s ASP 197 CO -0.09 -0.04 0.40 -0.22 0.21 0.00 0.00 175.17 175.43 1qf7 s LEU 198 N 1.69 5.73 -0.67 1.23 2.96 0.46 -4.55 118.68 125.54 1qf7 s LEU 198 Ca 0.08 -1.51 -0.10 0.00 -0.22 0.00 0.00 54.13 52.37 1qf7 s LEU 198 Cb -0.16 -2.16 0.17 0.00 0.50 0.00 0.00 46.19 44.55 1qf7 s LEU 198 CO 0.10 -0.69 0.56 -0.69 -1.32 0.00 0.00 176.35 174.31 1qf7 s VAL 199 N 1.59 4.79 0.38 1.68 1.01 -1.26 -1.07 120.40 127.52 1qf7 s VAL 199 Ca 0.04 -2.33 0.00 0.00 0.00 0.00 0.00 61.98 59.69 1qf7 s VAL 199 Cb -0.26 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.08 1qf7 s VAL 199 CO 0.05 -0.92 0.01 0.61 0.00 0.00 0.00 175.10 174.84 1qf7 n GLY 200 N 4.20 3.71 1.51 4.51 0.00 -0.38 -4.89 105.19 113.85 1qf7 n GLY 200 Ca 0.04 -2.32 -0.13 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.25 2.40 -1.16 1.61 3.02 -0.72 0.47 115.26 119.62 1qf7 n ASN 201 Ca -0.15 -1.93 0.11 0.00 -0.03 0.00 0.00 54.58 52.57 1qf7 n ASN 201 Cb 0.48 0.19 0.28 0.00 -0.61 0.00 0.00 39.78 40.12 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 -1.22 3.39 -4.26 6.41 6.94 0.35 -0.76 115.26 126.11 1qf7 n ASN 202 Ca -0.08 -1.98 -0.24 0.00 -0.02 0.00 0.00 54.58 52.26 1qf7 n ASN 202 Cb 0.27 -0.38 -0.13 0.00 -2.36 0.00 0.00 39.78 37.18 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 -1.25 1.63 -2.00 5.53 -4.23 -1.26 -4.55 115.64 109.51 1qf7 s THR 203 Ca 0.42 -1.39 0.24 0.00 -1.18 0.00 0.00 61.69 59.79 1qf7 s THR 203 Cb 0.23 -1.46 0.69 0.00 1.34 0.00 0.00 72.50 73.30 1qf7 s THR 203 CO 0.30 0.02 1.82 -0.81 -0.54 0.00 0.00 174.62 175.41 1qf7 n PRO 204 N 1.39 0.77 -4.17 3.99 -0.04 -1.26 -4.61 135.00 131.06 1qf7 n PRO 204 Ca -0.19 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.16 1qf7 n PRO 204 Cb 0.54 -1.49 -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 -2.00 0.20 0.49 0.52 -0.00 -1.26 -4.54 121.20 114.61 1qf7 s ILE 205 Ca 0.37 -1.93 0.07 0.00 -0.00 0.00 0.00 60.65 59.15 1qf7 s ILE 205 Cb 0.17 -2.12 0.01 0.00 -0.00 0.00 0.00 42.46 40.52 1qf7 s ILE 205 CO 0.28 -0.41 0.41 0.12 -0.00 0.00 0.00 174.94 175.34 1qf7 s PHE 206 N -3.99 2.09 0.04 1.37 5.36 -0.04 -4.86 117.98 117.94 1qf7 s PHE 206 Ca 0.26 -0.68 0.12 0.00 -0.96 0.00 0.00 56.93 55.67 1qf7 s PHE 206 Cb 0.07 -2.04 0.07 0.00 -0.34 0.00 0.00 43.02 40.78 1qf7 s PHE 206 CO 0.03 -0.35 1.44 0.74 -1.46 0.00 0.00 175.22 175.62 1qf7 h PHE 207 N 0.86 0.00 -3.68 10.12 0.04 -1.88 -3.39 116.94 119.01 1qf7 h PHE 207 Ca -0.38 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.11 1qf7 h PHE 207 Cb 1.28 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.29 1qf7 h PHE 207 CO 0.73 0.69 -0.69 0.96 -0.60 0.00 0.00 178.31 179.40 1qf7 s ILE 208 N -3.01 0.81 -0.19 -0.55 -4.36 -1.26 -2.49 121.20 110.14 1qf7 s ILE 208 Ca 0.02 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.44 1qf7 s ILE 208 Cb 0.09 -1.90 -0.21 0.00 1.25 0.00 0.00 42.46 41.69 1qf7 s ILE 208 CO 0.77 -0.68 0.07 0.00 0.24 0.00 0.00 174.94 175.34 1qf7 n GLN 209 N -0.16 0.69 -5.24 0.37 6.02 -1.26 -4.59 117.38 113.20 1qf7 n GLN 209 Ca -0.09 0.18 -0.31 0.00 -0.01 0.00 0.00 57.00 56.76 1qf7 n GLN 209 Cb 0.62 -1.60 -0.17 0.00 1.02 0.00 0.00 30.24 30.11 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 -6.57 3.05 0.63 1.08 -1.08 -1.26 -2.81 116.67 109.71 1qf7 s ASP 210 Ca -0.26 -0.52 0.35 0.00 -0.52 0.00 0.00 52.55 51.60 1qf7 s ASP 210 Cb 0.08 -1.00 1.97 0.00 -1.46 0.00 0.00 42.92 42.51 1qf7 s ASP 210 CO 0.70 0.22 2.20 0.00 0.52 0.00 0.00 175.17 178.81 1qf7 h ALA 211 N 6.25 1.39 -0.04 3.66 0.00 -1.72 -1.61 119.26 127.20 1qf7 h ALA 211 Ca -0.28 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1qf7 h ALA 211 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1qf7 h ALA 211 CO 0.47 -0.14 0.04 1.25 0.00 0.00 0.00 179.25 180.87 1qf7 h HIS 212 N 0.00 0.00 -0.27 0.00 6.17 -1.95 -0.05 115.15 119.04 1qf7 h HIS 212 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1qf7 h HIS 212 Cb 0.25 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.18 1qf7 h HIS 212 CO 0.00 0.00 0.00 1.63 0.71 0.00 0.00 177.93 180.27 1qf7 n LYS 213 N -3.82 2.08 -0.17 5.26 5.02 -0.60 -4.43 118.16 121.50 1qf7 n LYS 213 Ca -0.02 -1.62 -0.06 0.00 -2.02 0.00 0.00 58.31 54.58 1qf7 n LYS 213 Cb 0.13 -1.44 0.03 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 3.20 0.60 -0.34 2.13 3.57 -1.12 -0.62 116.94 124.35 1qf7 h PHE 214 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1qf7 h PHE 214 Cb 0.70 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1qf7 h PHE 214 CO 0.17 0.36 0.14 -1.35 -2.23 0.00 0.00 178.31 175.41 1qf7 h PRO 215 N 0.64 0.47 0.03 6.41 0.11 -1.80 -0.19 132.00 137.66 1qf7 h PRO 215 Ca 0.19 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 1qf7 h PRO 215 Cb -0.03 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 30.99 1qf7 h PRO 215 CO -0.06 0.39 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.66 1qf7 h ASP 216 N 0.47 -0.03 -0.13 -2.05 3.32 -1.68 0.36 116.42 116.69 1qf7 h ASP 216 Ca 0.12 -0.43 0.03 0.00 0.02 0.00 0.00 57.03 56.76 1qf7 h ASP 216 Cb 0.08 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1qf7 h ASP 216 CO -0.01 0.42 -0.04 0.15 -1.72 0.00 0.00 179.24 178.04 1qf7 h PHE 217 N -0.49 -0.09 -0.50 4.55 3.57 -0.88 -1.18 116.94 121.92 1qf7 h PHE 217 Ca -0.00 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1qf7 h PHE 217 Cb 0.46 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1qf7 h PHE 217 CO 0.08 -0.07 0.12 0.28 -2.23 0.00 0.00 178.31 176.49 1qf7 h VAL 218 N -0.01 1.24 -0.57 1.41 2.07 -1.01 -1.13 116.25 118.25 1qf7 h VAL 218 Ca 0.07 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1qf7 h VAL 218 Cb 0.11 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1qf7 h VAL 218 CO -0.14 0.30 0.37 0.45 0.02 0.00 0.00 177.57 178.58 1qf7 h HIS 219 N 0.68 0.68 -0.40 1.57 3.86 -0.11 -0.80 115.15 120.63 1qf7 h HIS 219 Ca 0.16 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.27 1qf7 h HIS 219 Cb 0.33 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1qf7 h HIS 219 CO 0.02 0.42 -0.21 0.00 0.86 0.00 0.00 177.93 179.02 1qf7 h ALA 220 N 1.66 0.88 0.02 2.45 0.00 -0.05 -3.16 119.26 121.06 1qf7 h ALA 220 Ca 0.22 -0.36 -0.25 0.00 0.00 0.00 0.00 54.91 54.51 1qf7 h ALA 220 Cb -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1qf7 h ALA 220 CO -0.05 0.63 -1.31 -0.24 0.00 0.00 0.00 179.25 178.27 1qf7 h VAL 221 N 0.69 1.35 -3.49 0.00 3.04 -0.97 -2.27 116.25 114.60 1qf7 h VAL 221 Ca 0.10 -3.09 -0.44 0.00 -1.01 0.00 0.00 66.70 62.26 1qf7 h VAL 221 Cb 0.72 2.70 0.19 0.00 -2.01 0.00 0.00 31.29 32.88 1qf7 h VAL 221 CO 0.06 0.79 0.08 -0.54 -1.01 0.00 0.00 177.57 176.95 1qf7 s LYS 222 N -2.66 -0.52 0.31 4.17 -0.14 -0.33 -4.66 119.74 115.91 1qf7 s LYS 222 Ca -0.02 0.61 -0.29 0.00 -1.36 0.00 0.00 55.97 54.91 1qf7 s LYS 222 Cb 0.09 -1.62 -0.12 0.00 -1.68 0.00 0.00 37.83 34.50 1qf7 s LYS 222 CO 0.83 -3.40 1.40 -2.30 -0.76 0.00 0.00 175.35 171.11 1qf7 n PRO 223 N -4.66 2.26 -2.24 -1.68 -0.02 -1.26 -4.77 135.00 122.63 1qf7 n PRO 223 Ca 0.04 0.80 -0.40 0.00 -2.02 0.00 0.00 63.50 61.92 1qf7 n PRO 223 Cb 0.56 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.27 4.27 0.48 -0.52 2.02 0.12 -4.71 118.70 119.09 1qf7 s GLU 224 Ca 0.60 1.99 0.23 0.00 0.02 0.00 0.00 54.97 57.81 1qf7 s GLU 224 Cb -0.57 -2.92 1.20 0.00 0.10 0.00 0.00 34.13 31.94 1qf7 s GLU 224 CO 0.57 -0.18 1.99 -1.00 0.02 0.00 0.00 175.26 176.65 1qf7 h PRO 225 N 3.13 0.00 -0.18 0.39 0.13 -1.90 0.13 132.00 133.71 1qf7 h PRO 225 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1qf7 h PRO 225 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1qf7 h PRO 225 CO 0.64 0.19 -0.13 1.12 -0.23 0.00 0.00 178.00 179.59 1qf7 h HIS 226 N 0.00 0.47 0.00 1.56 2.07 -1.97 -3.39 115.15 113.90 1qf7 h HIS 226 Ca -0.00 -0.13 0.00 0.00 -2.85 0.00 0.00 60.37 57.39 1qf7 h HIS 226 Cb 0.44 -0.10 0.00 0.00 2.57 0.00 0.00 27.41 30.32 1qf7 h HIS 226 CO 0.00 0.74 0.00 -2.67 -3.07 0.00 0.00 177.93 172.93 1qf7 n TRP 227 N -4.54 0.00 -3.61 6.12 4.27 -1.20 -5.04 117.44 113.44 1qf7 n TRP 227 Ca -0.05 -0.08 -0.28 0.00 -3.89 0.00 0.00 57.50 53.19 1qf7 n TRP 227 Cb 0.35 -0.01 0.05 0.00 -1.36 0.00 0.00 31.31 30.34 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 -0.08 -2.51 -2.92 -1.67 0.00 0.45 -4.99 120.51 108.78 1qf7 n ALA 228 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 1qf7 n ALA 228 Cb 0.11 -4.35 -0.13 0.00 0.00 0.00 0.00 19.45 15.09 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 -3.46 0.06 0.23 0.00 1.01 -1.25 -4.70 121.20 113.09 1qf7 s ILE 229 Ca 0.45 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.75 1qf7 s ILE 229 Cb -0.14 -0.13 -0.03 0.00 0.01 0.00 0.00 42.46 42.17 1qf7 s ILE 229 CO 0.84 -0.22 0.26 -2.16 0.00 0.00 0.00 174.94 173.66 1qf7 s PRO 230 N -0.65 3.17 -0.01 2.79 0.04 -1.26 -0.70 135.00 138.38 1qf7 s PRO 230 Ca -0.07 -0.89 -0.23 0.00 0.04 0.00 0.00 61.00 59.86 1qf7 s PRO 230 Cb -0.04 -2.73 -0.05 0.00 0.04 0.00 0.00 34.50 31.72 1qf7 s PRO 230 CO -0.00 0.43 0.67 -1.14 0.04 0.00 0.00 177.00 177.00 1qf7 s GLN 231 N -3.78 4.41 -1.62 4.56 2.00 -1.26 -4.00 119.66 119.97 1qf7 s GLN 231 Ca 0.33 0.87 0.00 0.00 -2.00 0.00 0.00 55.36 54.56 1qf7 s GLN 231 Cb -0.09 -3.38 0.00 0.00 0.80 0.00 0.00 33.01 30.34 1qf7 s GLN 231 CO 0.27 0.24 0.00 0.41 -0.50 0.00 0.00 175.29 175.71 1qf7 n GLY 232 N 2.65 0.17 2.90 2.59 0.00 -1.26 -5.00 105.19 107.24 1qf7 n GLY 232 Ca -0.04 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.54 0.03 0.00 1.61 -0.21 -1.26 -4.48 119.66 110.81 1qf7 s GLN 233 Ca 0.00 0.02 0.26 0.00 0.02 0.00 0.00 55.36 55.65 1qf7 s GLN 233 Cb 0.00 0.01 0.56 0.00 1.00 0.00 0.00 33.01 34.58 1qf7 s GLN 233 CO 0.00 -0.00 1.47 -1.13 -2.12 0.00 0.00 175.29 173.50 1qf7 n SER 234 N 3.04 2.37 -3.61 5.90 3.41 -1.26 -4.74 113.62 118.72 1qf7 n SER 234 Ca -0.12 -1.79 -0.41 0.00 -0.26 0.00 0.00 58.87 56.29 1qf7 n SER 234 Cb 0.60 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 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 0.85 4.76 -2.94 7.33 0.00 -1.26 -4.59 120.51 124.66 1qf7 n ALA 235 Ca 0.16 -3.48 -0.10 0.00 0.00 0.00 0.00 53.44 50.02 1qf7 n ALA 235 Cb 0.50 -3.52 -0.05 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 3.84 -0.14 0.23 0.00 -3.43 -1.26 -4.72 115.29 109.81 1qf7 s HIS 236 Ca 0.52 -0.20 -0.07 0.00 -0.80 0.00 0.00 55.06 54.52 1qf7 s HIS 236 Cb 0.14 0.21 0.35 0.00 -1.43 0.00 0.00 32.58 31.85 1qf7 s HIS 236 CO -0.00 -0.69 1.76 -0.44 -2.00 0.00 0.00 174.74 173.38 1qf7 h ASP 237 N 2.42 0.38 0.19 7.38 5.19 -1.88 -2.93 116.42 127.17 1qf7 h ASP 237 Ca -0.34 0.07 -0.08 0.00 -0.62 0.00 0.00 57.03 56.06 1qf7 h ASP 237 Cb 1.25 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.76 1qf7 h ASP 237 CO 0.48 0.21 -0.30 0.71 -3.12 0.00 0.00 179.24 177.21 1qf7 h THR 238 N 0.53 1.25 0.36 0.35 1.35 -1.94 0.01 112.91 114.84 1qf7 h THR 238 Ca 0.35 -1.21 -0.02 0.00 -0.55 0.00 0.00 66.41 64.99 1qf7 h THR 238 Cb 0.42 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1qf7 h THR 238 CO -0.30 0.36 -0.17 0.15 -0.25 0.00 0.00 175.52 175.31 1qf7 h PHE 239 N 0.17 -0.45 0.00 4.73 3.57 -1.21 -2.66 116.94 121.09 1qf7 h PHE 239 Ca 0.02 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1qf7 h PHE 239 Cb 0.63 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 1qf7 h PHE 239 CO 0.01 -0.13 -0.08 -1.49 -2.23 0.00 0.00 178.31 174.39 1qf7 h TRP 240 N -0.79 0.00 0.23 0.41 4.06 -1.56 -1.14 115.95 117.17 1qf7 h TRP 240 Ca -0.05 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 1qf7 h TRP 240 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.68 1qf7 h TRP 240 CO 0.01 0.08 -0.11 0.22 -3.56 0.00 0.00 178.44 175.08 1qf7 h ASP 241 N 0.00 -0.26 -0.38 -3.49 3.58 -0.95 -0.95 116.42 113.96 1qf7 h ASP 241 Ca -0.00 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.27 1qf7 h ASP 241 Cb 0.25 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 1qf7 h ASP 241 CO 0.01 0.05 0.25 0.22 -2.88 0.00 0.00 179.24 176.89 1qf7 h TYR 242 N -0.60 0.48 -0.44 0.28 5.03 -1.09 -2.12 116.97 118.50 1qf7 h TYR 242 Ca -0.03 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.28 1qf7 h TYR 242 Cb 0.43 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.53 1qf7 h TYR 242 CO 0.02 0.31 0.26 0.28 -1.32 0.00 0.00 178.16 177.70 1qf7 h VAL 243 N 0.51 1.14 0.00 1.81 2.07 -1.13 -1.14 116.25 119.51 1qf7 h VAL 243 Ca 0.14 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1qf7 h VAL 243 Cb -0.05 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1qf7 h VAL 243 CO -0.03 0.15 -0.10 0.77 0.02 0.00 0.00 177.57 178.38 1qf7 h SER 244 N 0.58 0.00 -0.01 0.57 4.64 -0.85 -2.35 113.55 116.13 1qf7 h SER 244 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1qf7 h SER 244 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1qf7 h SER 244 CO -0.03 0.10 -0.62 0.18 -0.87 0.00 0.00 176.83 175.59 1qf7 n LEU 245 N -3.57 1.75 -3.50 5.97 4.77 -0.71 -4.69 117.00 117.03 1qf7 n LEU 245 Ca -0.02 -0.69 -0.28 0.00 -0.03 0.00 0.00 56.01 55.00 1qf7 n LEU 245 Cb 0.22 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.20 1qf7 n LEU 245 CO 0.29 0.34 -0.28 -1.10 -1.33 0.00 0.00 177.39 175.31 1qf7 s GLN 246 N -2.62 1.04 0.53 3.23 -1.52 -0.52 -5.00 119.66 114.81 1qf7 s GLN 246 Ca 0.16 -2.06 0.36 0.00 -1.95 0.00 0.00 55.36 51.86 1qf7 s GLN 246 Cb 0.18 -1.71 1.94 0.00 -0.22 0.00 0.00 33.01 33.20 1qf7 s GLN 246 CO 0.65 -1.31 2.09 -1.00 -0.25 0.00 0.00 175.29 175.47 1qf7 h PRO 247 N 6.03 0.00 -0.47 2.91 0.13 -1.84 -1.60 132.00 137.16 1qf7 h PRO 247 Ca 0.18 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.45 1qf7 h PRO 247 Cb 0.91 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 1qf7 h PRO 247 CO 0.40 0.00 0.44 1.05 -0.23 0.00 0.00 178.00 179.65 1qf7 h GLU 248 N 0.00 0.00 0.00 0.86 4.11 -1.87 -1.55 114.58 116.12 1qf7 h GLU 248 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1qf7 h GLU 248 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1qf7 h GLU 248 CO 0.00 0.00 -0.12 1.79 0.07 0.00 0.00 179.01 180.75 1qf7 h THR 249 N 0.00 0.30 -0.97 -1.06 1.35 -0.97 -3.37 112.91 108.19 1qf7 h THR 249 Ca 0.22 -0.84 0.05 0.00 -0.55 0.00 0.00 66.41 65.29 1qf7 h THR 249 Cb 1.09 1.66 -0.06 0.00 -1.73 0.00 0.00 68.15 69.11 1qf7 h THR 249 CO -0.00 0.12 0.63 -0.07 -0.25 0.00 0.00 175.52 175.94 1qf7 h LEU 250 N 0.00 1.03 0.17 3.87 3.38 -1.48 -1.97 115.31 120.32 1qf7 h LEU 250 Ca -0.00 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1qf7 h LEU 250 Cb 0.65 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1qf7 h LEU 250 CO 0.02 0.69 -0.20 -0.74 0.09 0.00 0.00 178.44 178.29 1qf7 h HIS 251 N 1.19 -0.53 -0.03 1.13 2.76 -1.80 -0.23 115.15 117.62 1qf7 h HIS 251 Ca 0.40 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.49 1qf7 h HIS 251 Cb 0.07 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 1qf7 h HIS 251 CO -0.01 -0.30 -0.39 -0.97 -1.30 0.00 0.00 177.93 174.96 1qf7 h ASN 252 N -0.42 0.07 -0.51 3.26 -0.00 -1.69 -1.60 115.58 114.70 1qf7 h ASN 252 Ca 0.01 -0.03 0.02 0.00 -0.00 0.00 0.00 56.30 56.30 1qf7 h ASN 252 Cb 0.41 -0.02 -0.03 0.00 -0.00 0.00 0.00 38.32 38.67 1qf7 h ASN 252 CO -0.07 0.46 0.30 0.58 -0.00 0.00 0.00 177.43 178.71 1qf7 h VAL 253 N 0.06 1.05 -0.34 2.57 2.07 -1.02 0.14 116.25 120.78 1qf7 h VAL 253 Ca 0.00 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.39 1qf7 h VAL 253 Cb 0.73 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 1qf7 h VAL 253 CO 0.05 0.11 -0.09 0.24 0.02 0.00 0.00 177.57 177.91 1qf7 h MET 254 N 0.60 -0.00 -0.51 1.57 2.86 -0.04 -0.09 114.93 119.33 1qf7 h MET 254 Ca 0.20 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1qf7 h MET 254 Cb 0.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1qf7 h MET 254 CO -0.09 -0.00 0.30 -1.49 1.06 0.00 0.00 176.91 176.68 1qf7 h TRP 255 N -0.00 0.67 -0.64 -0.22 4.06 -1.09 -1.88 115.95 116.86 1qf7 h TRP 255 Ca 0.16 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 61.12 1qf7 h TRP 255 Cb 0.25 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.16 1qf7 h TRP 255 CO -0.32 0.48 0.42 0.00 -3.56 0.00 0.00 178.44 175.46 1qf7 h ALA 256 N 1.14 1.58 0.00 1.49 0.00 -0.23 -1.99 119.26 121.25 1qf7 h ALA 256 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1qf7 h ALA 256 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1qf7 h ALA 256 CO -0.03 0.37 0.00 0.52 0.00 0.00 0.00 179.25 180.11 1qf7 h MET 257 N 0.83 0.00 -7.72 0.00 2.86 -0.64 -3.32 114.93 106.94 1qf7 h MET 257 Ca 0.24 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.44 1qf7 h MET 257 Cb -0.04 0.00 0.17 0.00 0.06 0.00 0.00 31.60 31.79 1qf7 h MET 257 CO -0.06 0.00 0.35 -1.54 1.06 0.00 0.00 176.91 176.72 1qf7 s SER 258 N -5.47 2.54 0.00 1.22 1.04 -0.74 -4.07 113.70 108.21 1qf7 s SER 258 Ca 0.07 0.35 0.18 0.00 0.48 0.00 0.00 55.95 57.03 1qf7 s SER 258 Cb 0.08 -0.44 0.99 0.00 0.10 0.00 0.00 66.02 66.76 1qf7 s SER 258 CO 0.60 -3.10 1.53 0.47 0.98 0.00 0.00 173.24 173.72 1qf7 n ASP 259 N -4.03 0.00 0.26 7.02 8.00 -1.26 -1.37 116.55 125.17 1qf7 n ASP 259 Ca 0.15 -0.23 0.12 0.00 0.71 0.00 0.00 54.79 55.54 1qf7 n ASP 259 Cb 0.59 -0.16 0.71 0.00 -0.02 0.00 0.00 41.12 42.24 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 -2.28 114.38 111.46 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 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1qf7 h ARG 260 CO 0.00 0.13 0.00 0.41 0.56 0.00 0.00 179.97 181.07 1qf7 n GLY 261 N -0.68 -1.17 2.24 0.04 0.00 -0.47 -3.95 105.19 101.20 1qf7 n GLY 261 Ca -0.02 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.21 -0.14 -1.51 -0.61 -5.35 -0.86 -2.06 119.36 107.63 1qf7 n ILE 262 Ca 0.16 -4.36 -0.36 0.00 -0.27 0.00 0.00 62.75 57.93 1qf7 n ILE 262 Cb 0.20 -1.39 0.08 0.00 -1.74 0.00 0.00 39.64 36.79 1qf7 n ILE 262 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 1qf7 n PRO 263 N 0.93 0.76 0.11 6.28 -0.02 -1.25 -0.33 135.00 141.47 1qf7 n PRO 263 Ca 0.23 0.32 -0.04 0.00 -2.02 0.00 0.00 63.50 61.99 1qf7 n PRO 263 Cb 0.56 -2.38 0.07 0.00 -0.02 0.00 0.00 33.50 31.73 1qf7 n PRO 263 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1qf7 h ARG 264 N 0.06 0.03 -2.35 -0.52 9.65 -1.42 -3.39 114.38 116.43 1qf7 h ARG 264 Ca -0.49 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.38 1qf7 h ARG 264 Cb 1.34 0.01 -0.16 0.00 -1.39 0.00 0.00 29.97 29.76 1qf7 h ARG 264 CO 0.50 0.76 0.31 0.45 2.80 0.00 0.00 179.97 184.79 1qf7 s SER 265 N -6.82 -0.52 0.42 -3.80 0.15 -1.26 -4.93 113.70 96.94 1qf7 s SER 265 Ca -0.01 0.27 0.30 0.00 0.70 0.00 0.00 55.95 57.20 1qf7 s SER 265 Cb 0.12 0.49 1.33 0.00 -1.71 0.00 0.00 66.02 66.25 1qf7 s SER 265 CO 0.79 -0.70 1.89 1.88 1.20 0.00 0.00 173.24 178.29 1qf7 h TYR 266 N 2.37 0.00 0.00 3.44 0.05 -1.90 -1.92 116.97 119.01 1qf7 h TYR 266 Ca -0.27 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.44 1qf7 h TYR 266 Cb 1.22 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.96 1qf7 h TYR 266 CO 0.29 0.00 -0.32 0.00 -1.05 0.00 0.00 178.16 177.08 1qf7 h ARG 267 N 0.00 0.00 -1.12 4.88 3.08 -1.95 -3.35 114.38 115.91 1qf7 h ARG 267 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1qf7 h ARG 267 Cb 0.32 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.00 1qf7 h ARG 267 CO 0.00 0.32 -0.18 0.25 -1.07 0.00 0.00 179.97 179.29 1qf7 n THR 268 N -3.24 2.88 -4.13 2.04 -2.24 -0.72 -4.26 114.28 104.61 1qf7 n THR 268 Ca 0.02 -4.08 -0.12 0.00 -2.27 0.00 0.00 64.05 57.60 1qf7 n THR 268 Cb 0.61 -1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 67.55 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 -3.70 0.72 0.55 -0.78 0.23 -1.24 -1.46 119.30 113.62 1qf7 s MET 269 Ca 0.54 -1.11 -0.03 0.00 -1.03 0.00 0.00 55.69 54.06 1qf7 s MET 269 Cb 0.43 -0.26 0.01 0.00 -1.53 0.00 0.00 34.83 33.49 1qf7 s MET 269 CO -0.08 0.01 0.83 -1.21 -2.03 0.00 0.00 175.02 172.55 1qf7 s GLU 270 N -2.92 2.87 0.08 3.16 2.02 -1.26 -4.30 118.70 118.34 1qf7 s GLU 270 Ca 0.03 -0.25 0.04 0.00 0.02 0.00 0.00 54.97 54.82 1qf7 s GLU 270 Cb -0.01 -2.37 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 1qf7 s GLU 270 CO -0.03 -0.62 -0.11 0.20 0.02 0.00 0.00 175.26 174.73 1qf7 s GLY 271 N -4.31 0.81 -0.09 -1.39 0.00 -0.93 -4.16 107.32 97.25 1qf7 s GLY 271 Ca 0.53 -1.07 -0.14 0.00 0.00 0.00 0.00 44.72 44.04 1qf7 s GLY 271 CO 0.42 -1.12 0.35 -1.36 0.00 0.00 0.00 173.10 171.39 1qf7 s PHE 272 N -1.89 -0.32 -0.47 1.90 0.08 0.06 -1.46 117.98 115.87 1qf7 s PHE 272 Ca 0.01 0.71 0.23 0.00 0.12 0.00 0.00 56.93 58.01 1qf7 s PHE 272 Cb -0.06 0.13 0.40 0.00 -0.57 0.00 0.00 43.02 42.91 1qf7 s PHE 272 CO 0.01 -0.28 1.63 0.78 -0.10 0.00 0.00 175.22 177.26 1qf7 h GLY 273 N 4.88 0.00 0.00 4.36 0.00 -1.54 -1.91 103.07 108.86 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 0.33 0.00 0.00 1.39 0.00 0.00 0.00 176.54 178.26 1qf7 n ILE 274 N -3.00 0.00 -1.76 2.60 5.41 -1.26 -4.84 119.36 116.51 1qf7 n ILE 274 Ca 0.04 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.46 1qf7 n ILE 274 Cb 0.52 0.00 0.05 0.00 -0.71 0.00 0.00 39.64 39.50 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 2.62 -0.20 1.39 3.76 -1.26 -4.90 115.29 116.69 1qf7 s HIS 275 Ca 0.00 1.55 -0.29 0.00 -0.15 0.00 0.00 55.06 56.17 1qf7 s HIS 275 Cb 0.00 -3.17 0.00 0.00 1.11 0.00 0.00 32.58 30.52 1qf7 s HIS 275 CO 0.00 -1.69 1.08 0.99 -0.85 0.00 0.00 174.74 174.27 1qf7 s THR 276 N -2.33 4.61 0.00 1.30 2.01 -1.26 -4.56 115.64 115.40 1qf7 s THR 276 Ca 0.67 1.93 0.00 0.00 0.31 0.00 0.00 61.69 64.60 1qf7 s THR 276 Cb -0.21 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.06 1qf7 s THR 276 CO 0.41 -0.15 0.00 0.49 -0.69 0.00 0.00 174.62 174.68 1qf7 n PHE 277 N 6.24 -0.81 -4.49 4.92 3.01 0.34 -4.29 117.46 122.38 1qf7 n PHE 277 Ca 0.12 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.37 1qf7 n PHE 277 Cb 0.46 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.79 1qf7 n PHE 277 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1qf7 s ARG 278 N -0.15 1.04 -0.13 -1.08 0.52 -0.65 -1.47 118.95 117.04 1qf7 s ARG 278 Ca 0.00 -0.67 -0.07 0.00 -0.52 0.00 0.00 55.73 54.47 1qf7 s ARG 278 Cb 0.00 -1.04 -0.04 0.00 0.52 0.00 0.00 34.95 34.39 1qf7 s ARG 278 CO 0.00 0.27 0.11 -0.51 0.02 0.00 0.00 175.30 175.19 1qf7 s LEU 279 N -0.83 4.18 -0.12 2.53 1.43 -0.18 -0.95 118.68 124.75 1qf7 s LEU 279 Ca 0.03 0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 1qf7 s LEU 279 Cb -0.07 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.14 1qf7 s LEU 279 CO 0.01 0.35 -0.19 -0.63 0.23 0.00 0.00 176.35 176.11 1qf7 s ILE 280 N -0.69 1.80 0.62 -0.59 -1.09 -0.39 -1.54 121.20 119.32 1qf7 s ILE 280 Ca 0.13 -0.83 0.06 0.00 -2.23 0.00 0.00 60.65 57.78 1qf7 s ILE 280 Cb -0.12 -1.61 0.10 0.00 -1.58 0.00 0.00 42.46 39.25 1qf7 s ILE 280 CO 0.03 0.50 0.85 0.54 -1.23 0.00 0.00 174.94 175.63 1qf7 s ASN 281 N 0.81 4.86 0.53 3.58 2.20 -0.86 -1.07 114.94 124.99 1qf7 s ASN 281 Ca -0.09 -0.69 0.28 0.00 -0.94 0.00 0.00 52.86 51.43 1qf7 s ASN 281 Cb -0.16 0.19 1.46 0.00 -2.00 0.00 0.00 41.25 40.74 1qf7 s ASN 281 CO -0.00 -1.50 2.07 0.00 -2.94 0.00 0.00 177.10 174.72 1qf7 h ALA 282 N -0.04 1.23 0.00 3.54 0.00 -1.88 0.09 119.26 122.20 1qf7 h ALA 282 Ca -0.32 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1qf7 h ALA 282 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1qf7 h ALA 282 CO 0.40 0.14 0.00 0.39 0.00 0.00 0.00 179.25 180.18 1qf7 n GLU 283 N -3.56 0.05 -0.26 0.00 4.71 -1.26 -4.77 120.64 115.55 1qf7 n GLU 283 Ca -0.02 0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 1qf7 n GLU 283 Cb 0.25 -1.56 0.00 0.00 -1.01 0.00 0.00 31.44 29.11 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 1.36 0.78 3.73 0.62 0.00 0.02 -5.05 105.19 106.65 1qf7 n GLY 284 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1qf7 n GLY 284 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qf7 s LYS 285 N -0.74 4.68 -0.13 1.61 2.20 -1.26 -4.77 119.74 121.32 1qf7 s LYS 285 Ca 0.00 1.51 -0.10 0.00 -0.36 0.00 0.00 55.97 57.02 1qf7 s LYS 285 Cb 0.00 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 1qf7 s LYS 285 CO 0.00 0.19 0.19 0.00 -0.36 0.00 0.00 175.35 175.38 1qf7 s ALA 286 N -0.09 3.76 -0.07 3.13 0.00 -1.26 -2.02 121.76 125.22 1qf7 s ALA 286 Ca 0.47 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.90 1qf7 s ALA 286 Cb -0.25 -2.14 -0.00 0.00 0.00 0.00 0.00 23.12 20.73 1qf7 s ALA 286 CO 0.31 0.40 -0.22 0.99 0.00 0.00 0.00 175.76 177.24 1qf7 s THR 287 N -0.44 1.84 0.29 0.00 2.01 -0.59 -4.20 115.64 114.55 1qf7 s THR 287 Ca 0.14 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 60.93 1qf7 s THR 287 Cb -0.12 -1.57 -0.10 0.00 0.01 0.00 0.00 72.50 70.72 1qf7 s THR 287 CO 0.03 0.51 1.13 -0.36 -0.69 0.00 0.00 174.62 175.25 1qf7 s PHE 288 N 0.09 3.50 0.02 4.92 0.08 0.10 -1.01 117.98 125.68 1qf7 s PHE 288 Ca -0.09 1.66 -0.01 0.00 0.12 0.00 0.00 56.93 58.61 1qf7 s PHE 288 Cb -0.15 -3.34 -0.02 0.00 -0.57 0.00 0.00 43.02 38.95 1qf7 s PHE 288 CO 0.05 -0.74 -0.01 0.54 -0.10 0.00 0.00 175.22 174.96 1qf7 s VAL 289 N -1.17 0.11 -0.08 -0.44 0.11 -0.54 -1.29 120.40 117.10 1qf7 s VAL 289 Ca 0.45 -0.93 0.02 0.00 -2.93 0.00 0.00 61.98 58.59 1qf7 s VAL 289 Cb -0.33 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 1qf7 s VAL 289 CO 0.43 -0.51 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.41 1qf7 s ARG 290 N -1.60 1.99 -0.02 1.54 0.52 -0.79 -0.51 118.95 120.09 1qf7 s ARG 290 Ca -0.15 -0.50 -0.16 0.00 -0.52 0.00 0.00 55.73 54.40 1qf7 s ARG 290 Cb -0.09 -1.62 -0.06 0.00 0.52 0.00 0.00 34.95 33.71 1qf7 s ARG 290 CO -0.01 0.03 0.44 -0.06 0.02 0.00 0.00 175.30 175.72 1qf7 s PHE 291 N 0.68 3.69 0.04 -0.53 0.08 -1.26 -1.46 117.98 119.23 1qf7 s PHE 291 Ca -0.14 1.00 0.04 0.00 0.12 0.00 0.00 56.93 57.95 1qf7 s PHE 291 Cb -0.16 -2.36 -0.02 0.00 -0.57 0.00 0.00 43.02 39.91 1qf7 s PHE 291 CO 0.04 0.54 -0.11 -1.01 -0.10 0.00 0.00 175.22 174.58 1qf7 s HIS 292 N -0.73 0.96 -0.15 0.36 3.76 -0.32 -1.44 115.29 117.74 1qf7 s HIS 292 Ca 0.24 -0.37 0.02 0.00 -0.15 0.00 0.00 55.06 54.80 1qf7 s HIS 292 Cb -0.17 -0.57 0.01 0.00 1.11 0.00 0.00 32.58 32.97 1qf7 s HIS 292 CO 0.13 -0.00 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.24 1qf7 s TRP 293 N -0.96 2.56 -0.22 1.40 0.52 -0.53 0.67 118.94 122.38 1qf7 s TRP 293 Ca -0.02 -1.35 -0.05 0.00 0.02 0.00 0.00 56.10 54.70 1qf7 s TRP 293 Cb -0.08 -1.77 -0.02 0.00 -1.15 0.00 0.00 33.47 30.46 1qf7 s TRP 293 CO 0.01 -0.65 -0.01 0.21 0.02 0.00 0.00 176.95 176.53 1qf7 s LYS 294 N 1.00 3.48 -0.12 4.98 2.20 0.34 -2.20 119.74 129.42 1qf7 s LYS 294 Ca -0.03 -0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 54.71 1qf7 s LYS 294 Cb -0.15 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 1qf7 s LYS 294 CO -0.05 -0.16 1.52 -1.25 -0.36 0.00 0.00 175.35 175.05 1qf7 s PRO 295 N 1.43 4.12 0.17 4.03 0.04 -1.26 -0.35 135.00 143.18 1qf7 s PRO 295 Ca 0.05 1.92 0.24 0.00 0.04 0.00 0.00 61.00 63.25 1qf7 s PRO 295 Cb -0.14 -3.93 0.91 0.00 0.04 0.00 0.00 34.50 31.38 1qf7 s PRO 295 CO -0.01 -0.89 1.74 1.28 0.04 0.00 0.00 177.00 179.16 1qf7 n LEU 296 N 7.23 0.54 -0.12 -3.56 4.77 0.18 -1.49 117.00 124.55 1qf7 n LEU 296 Ca 0.16 0.59 0.15 0.00 -0.03 0.00 0.00 56.01 56.88 1qf7 n LEU 296 Cb 0.44 -0.46 0.80 0.00 -2.33 0.00 0.00 43.42 41.88 1qf7 n LEU 296 CO 0.61 -0.29 1.02 0.00 -1.33 0.00 0.00 177.39 177.40 1qf7 n ALA 297 N -1.70 2.66 0.00 -1.18 0.00 -1.26 -4.92 120.51 114.10 1qf7 n ALA 297 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1qf7 n ALA 297 Cb 0.32 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 1.09 -0.71 3.77 0.00 0.00 -0.56 -3.91 105.19 104.87 1qf7 n GLY 298 Ca 0.21 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.29 4.23 -0.28 1.61 1.02 -1.26 -4.16 119.74 118.61 1qf7 s LYS 299 Ca 0.00 0.55 -0.21 0.00 0.02 0.00 0.00 55.97 56.33 1qf7 s LYS 299 Cb 0.00 -3.35 0.08 0.00 -0.52 0.00 0.00 37.83 34.05 1qf7 s LYS 299 CO 0.00 0.37 0.75 0.00 -0.92 0.00 0.00 175.35 175.55 1qf7 s ALA 300 N -0.12 -1.86 0.26 5.17 0.00 -0.54 -4.87 121.76 119.81 1qf7 s ALA 300 Ca 0.27 2.17 0.05 0.00 0.00 0.00 0.00 51.96 54.45 1qf7 s ALA 300 Cb -0.17 -1.32 -0.06 0.00 0.00 0.00 0.00 23.12 21.58 1qf7 s ALA 300 CO 0.14 -0.35 -0.03 -1.12 0.00 0.00 0.00 175.76 174.40 1qf7 s SER 301 N 0.86 2.37 0.92 0.00 0.01 -1.26 -1.21 113.70 115.40 1qf7 s SER 301 Ca -0.04 -1.21 -0.05 0.00 1.31 0.00 0.00 55.95 55.97 1qf7 s SER 301 Cb -0.05 -0.09 0.07 0.00 0.21 0.00 0.00 66.02 66.16 1qf7 s SER 301 CO -0.08 -0.42 0.41 0.18 0.41 0.00 0.00 173.24 173.74 1qf7 n LEU 302 N -0.52 0.00 -4.53 2.44 4.77 0.55 -4.64 117.00 115.07 1qf7 n LEU 302 Ca -0.05 -0.50 -0.30 0.00 -0.03 0.00 0.00 56.01 55.13 1qf7 n LEU 302 Cb 0.64 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 41.31 1qf7 n LEU 302 CO 0.39 -0.78 -0.46 0.68 -1.33 0.00 0.00 177.39 175.89 1qf7 s VAL 303 N -1.77 3.11 0.20 4.08 -7.23 -1.26 -4.94 120.40 112.58 1qf7 s VAL 303 Ca 0.24 -1.35 -0.17 0.00 -1.81 0.00 0.00 61.98 58.88 1qf7 s VAL 303 Cb -0.01 -2.43 0.17 0.00 0.56 0.00 0.00 36.38 34.68 1qf7 s VAL 303 CO 0.17 0.13 1.61 -0.25 -0.31 0.00 0.00 175.10 176.44 1qf7 h TRP 304 N 3.75 -0.60 -0.99 2.82 2.91 -1.98 -1.49 115.95 120.37 1qf7 h TRP 304 Ca -0.49 0.06 0.06 0.00 1.13 0.00 0.00 58.89 59.65 1qf7 h TRP 304 Cb 1.17 0.35 -0.06 0.00 -0.51 0.00 0.00 29.16 30.10 1qf7 h TRP 304 CO 0.60 -0.32 0.64 0.22 -1.03 0.00 0.00 178.44 178.54 1qf7 h ASP 305 N -0.10 1.03 -0.47 2.65 3.58 -1.99 0.34 116.42 121.47 1qf7 h ASP 305 Ca 0.26 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.58 1qf7 h ASP 305 Cb 0.50 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1qf7 h ASP 305 CO -0.64 0.67 -0.22 -0.08 -2.88 0.00 0.00 179.24 176.09 1qf7 h GLU 306 N 1.18 0.98 -0.26 0.28 4.81 -1.89 -1.52 114.58 118.15 1qf7 h GLU 306 Ca 0.42 -0.43 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1qf7 h GLU 306 Cb 0.13 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1qf7 h GLU 306 CO -0.16 1.10 0.04 0.00 -0.73 0.00 0.00 179.01 179.25 1qf7 h ALA 307 N 0.85 0.35 -0.27 2.92 0.00 -0.67 -0.34 119.26 122.10 1qf7 h ALA 307 Ca 0.10 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1qf7 h ALA 307 Cb 0.80 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1qf7 h ALA 307 CO 0.07 0.04 -0.50 0.37 0.00 0.00 0.00 179.25 179.22 1qf7 h GLN 308 N 0.24 0.76 -0.21 0.00 4.15 -0.89 -1.86 115.11 117.29 1qf7 h GLN 308 Ca 0.08 -0.46 -0.13 0.00 0.77 0.00 0.00 58.65 58.92 1qf7 h GLN 308 Cb 0.35 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1qf7 h GLN 308 CO 0.01 1.08 -0.40 -0.22 -1.93 0.00 0.00 178.83 177.37 1qf7 h LYS 309 N 0.60 0.50 0.00 1.69 3.64 -1.18 -2.36 116.57 119.45 1qf7 h LYS 309 Ca 0.02 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 1qf7 h LYS 309 Cb 1.08 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1qf7 h LYS 309 CO 0.11 0.81 -0.15 1.25 -2.27 0.00 0.00 179.45 179.20 1qf7 h LEU 310 N 0.41 0.00 -1.56 5.20 5.85 -0.72 0.72 115.31 125.21 1qf7 h LEU 310 Ca 0.04 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1qf7 h LEU 310 Cb 0.88 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1qf7 h LEU 310 CO 0.07 0.15 -0.23 0.71 -0.34 0.00 0.00 178.44 178.80 1qf7 h THR 311 N 0.00 0.95 0.07 1.05 1.35 -0.78 0.09 112.91 115.64 1qf7 h THR 311 Ca -0.00 -0.86 -0.24 0.00 -0.55 0.00 0.00 66.41 64.75 1qf7 h THR 311 Cb 0.49 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 1qf7 h THR 311 CO 0.02 0.23 -1.28 1.23 -0.25 0.00 0.00 175.52 175.46 1qf7 h GLY 312 N 0.95 0.18 1.18 5.82 0.00 -1.14 -3.19 103.07 106.87 1qf7 h GLY 312 Ca -0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 1qf7 h GLY 312 CO 0.03 0.39 -0.21 3.21 0.00 0.00 0.00 176.54 179.97 1qf7 h ARG 313 N -0.53 0.94 -1.64 4.80 2.47 -0.72 -3.40 114.38 116.29 1qf7 h ARG 313 Ca -0.30 -0.39 -0.28 0.00 -1.26 0.00 0.00 59.98 57.75 1qf7 h ARG 313 Cb 1.58 -0.04 -0.27 0.00 -1.65 0.00 0.00 29.97 29.60 1qf7 h ARG 313 CO -0.02 1.05 -0.63 0.34 0.56 0.00 0.00 179.97 181.27 1qf7 s ASP 314 N -6.73 0.22 0.07 7.04 2.15 -0.00 -5.01 116.67 114.41 1qf7 s ASP 314 Ca -0.11 -1.51 0.14 0.00 0.43 0.00 0.00 52.55 51.50 1qf7 s ASP 314 Cb 0.13 0.99 0.59 0.00 -0.30 0.00 0.00 42.92 44.32 1qf7 s ASP 314 CO 0.86 -0.21 1.42 -0.81 -0.17 0.00 0.00 175.17 176.27 1qf7 n PRO 315 N 4.05 0.05 -0.77 4.34 -0.04 -1.21 -2.13 135.00 139.28 1qf7 n PRO 315 Ca 0.13 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1qf7 n PRO 315 Cb 0.49 -1.60 0.28 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.69 4.17 -0.24 3.54 8.00 -1.26 -0.74 116.55 128.33 1qf7 n ASP 316 Ca 0.02 -3.23 -0.05 0.00 0.71 0.00 0.00 54.79 52.25 1qf7 n ASP 316 Cb 0.13 -0.65 0.06 0.00 -0.02 0.00 0.00 41.12 40.64 1qf7 n ASP 316 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1qf7 h PHE 317 N 2.17 0.82 -0.10 1.24 3.57 -1.78 -0.13 116.94 122.73 1qf7 h PHE 317 Ca 0.15 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.56 1qf7 h PHE 317 Cb 1.88 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.36 1qf7 h PHE 317 CO 0.95 0.50 -0.35 0.45 -2.23 0.00 0.00 178.31 177.63 1qf7 h HIS 318 N 0.87 0.54 -0.50 0.41 3.86 -1.87 -1.47 115.15 116.98 1qf7 h HIS 318 Ca 0.25 -0.22 0.06 0.00 -1.16 0.00 0.00 60.37 59.30 1qf7 h HIS 318 Cb -0.06 -0.09 -0.05 0.00 1.06 0.00 0.00 27.41 28.27 1qf7 h HIS 318 CO -0.03 0.96 0.20 -0.09 0.86 0.00 0.00 177.93 179.82 1qf7 h ARG 319 N -0.04 0.38 -0.01 2.45 2.43 -1.88 -0.76 114.38 116.94 1qf7 h ARG 319 Ca -0.02 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1qf7 h ARG 319 Cb 0.98 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1qf7 h ARG 319 CO 0.07 0.25 0.00 -0.09 -1.51 0.00 0.00 179.97 178.70 1qf7 h ARG 320 N 0.39 0.02 -0.10 0.20 2.43 -1.03 -2.53 114.38 113.76 1qf7 h ARG 320 Ca 0.24 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.31 1qf7 h ARG 320 Cb 0.23 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1qf7 h ARG 320 CO -0.23 0.24 -0.35 1.05 -1.51 0.00 0.00 179.97 179.18 1qf7 h GLU 321 N -0.20 0.20 0.06 0.20 -0.00 -1.22 -0.85 114.58 112.77 1qf7 h GLU 321 Ca 0.00 -0.08 -0.00 0.00 -0.00 0.00 0.00 59.36 59.28 1qf7 h GLU 321 Cb 0.23 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 28.97 1qf7 h GLU 321 CO 0.00 0.53 -0.03 1.25 -0.00 0.00 0.00 179.01 180.76 1qf7 h LEU 322 N 0.18 -0.06 -0.62 3.06 5.85 -1.10 -1.71 115.31 120.91 1qf7 h LEU 322 Ca 0.02 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1qf7 h LEU 322 Cb 0.70 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1qf7 h LEU 322 CO 0.05 0.17 0.41 -0.25 -0.34 0.00 0.00 178.44 178.48 1qf7 h TRP 323 N -0.30 0.77 0.00 1.25 2.91 -1.13 -2.50 115.95 116.95 1qf7 h TRP 323 Ca -0.01 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.96 1qf7 h TRP 323 Cb 0.26 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 1qf7 h TRP 323 CO -0.00 0.48 -0.33 0.93 -1.03 0.00 0.00 178.44 178.49 1qf7 h GLU 324 N 0.83 0.00 -0.24 2.65 5.08 -1.18 -1.77 114.58 119.94 1qf7 h GLU 324 Ca 0.23 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.39 1qf7 h GLU 324 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1qf7 h GLU 324 CO -0.06 0.33 -0.62 0.00 -1.00 0.00 0.00 179.01 177.65 1qf7 h ALA 325 N 1.67 0.41 -0.52 3.43 0.00 -0.89 -0.95 119.26 122.41 1qf7 h ALA 325 Ca -0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 1qf7 h ALA 325 Cb 1.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1qf7 h ALA 325 CO 0.04 0.68 -0.01 0.82 0.00 0.00 0.00 179.25 180.78 1qf7 h ILE 326 N 0.63 1.26 0.00 0.00 2.04 -1.41 0.23 117.51 120.27 1qf7 h ILE 326 Ca -0.01 -1.11 -0.08 0.00 1.00 0.00 0.00 64.86 64.66 1qf7 h ILE 326 Cb 1.24 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1qf7 h ILE 326 CO 0.14 0.39 -0.40 -0.33 0.00 0.00 0.00 178.15 177.95 1qf7 h GLU 327 N 0.80 0.00 -0.00 2.37 5.08 -1.20 -2.77 114.58 118.86 1qf7 h GLU 327 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1qf7 h GLU 327 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1qf7 h GLU 327 CO 0.03 0.40 -0.17 0.00 -1.00 0.00 0.00 179.01 178.26 1qf7 n ALA 328 N -2.42 2.78 -0.44 3.43 0.00 -0.37 -2.59 120.51 120.90 1qf7 n ALA 328 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1qf7 n ALA 328 Cb 0.45 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.46 0.76 2.31 0.00 0.00 -0.72 -4.63 105.19 104.36 1qf7 n GLY 329 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1qf7 n GLY 329 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qf7 n ASP 330 N 0.00 6.12 -4.70 1.61 8.00 0.74 -4.97 116.55 123.35 1qf7 n ASP 330 Ca 0.00 -2.92 -0.56 0.00 0.71 0.00 0.00 54.79 52.02 1qf7 n ASP 330 Cb 0.00 -1.31 -0.07 0.00 -0.02 0.00 0.00 41.12 39.72 1qf7 n ASP 330 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1qf7 n PHE 331 N 1.57 2.07 -1.67 1.24 3.72 -1.26 -4.41 117.46 118.73 1qf7 n PHE 331 Ca 0.48 0.45 -0.48 0.00 -0.05 0.00 0.00 57.45 57.85 1qf7 n PHE 331 Cb 0.67 -2.49 -0.05 0.00 -0.94 0.00 0.00 39.48 36.68 1qf7 n PHE 331 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1qf7 n PRO 332 N 5.42 1.97 -4.65 -1.08 -0.02 -1.24 -4.80 135.00 130.60 1qf7 n PRO 332 Ca 0.25 0.72 -0.23 0.00 -2.02 0.00 0.00 63.50 62.22 1qf7 n PRO 332 Cb 0.16 -2.49 -0.16 0.00 -0.02 0.00 0.00 33.50 31.00 1qf7 n PRO 332 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1qf7 s GLU 333 N 2.01 1.36 -0.01 -0.52 2.02 -1.26 -0.88 118.70 121.43 1qf7 s GLU 333 Ca 0.85 -0.48 0.02 0.00 0.02 0.00 0.00 54.97 55.38 1qf7 s GLU 333 Cb -0.74 -1.24 -0.00 0.00 0.10 0.00 0.00 34.13 32.25 1qf7 s GLU 333 CO 0.45 0.22 -0.07 0.71 0.02 0.00 0.00 175.26 176.59 1qf7 s TYR 334 N 0.00 0.62 -0.20 1.61 1.51 -0.68 -0.65 117.35 119.57 1qf7 s TYR 334 Ca -0.01 -0.12 -0.14 0.00 -1.01 0.00 0.00 57.07 55.78 1qf7 s TYR 334 Cb -0.09 -0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 1qf7 s TYR 334 CO 0.01 -0.02 0.32 -2.00 -1.11 0.00 0.00 175.55 172.75 1qf7 s GLU 335 N -0.12 4.17 -0.02 -0.62 2.12 0.53 -0.61 118.70 124.14 1qf7 s GLU 335 Ca 0.02 0.08 -0.30 0.00 0.36 0.00 0.00 54.97 55.13 1qf7 s GLU 335 Cb -0.03 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 1qf7 s GLU 335 CO -0.00 0.05 1.18 -1.17 -0.54 0.00 0.00 175.26 174.78 1qf7 s LEU 336 N 1.05 4.31 0.08 2.70 2.96 0.01 -0.50 118.68 129.29 1qf7 s LEU 336 Ca 0.16 1.85 0.07 0.00 -0.22 0.00 0.00 54.13 56.00 1qf7 s LEU 336 Cb -0.14 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1qf7 s LEU 336 CO 0.06 -0.53 -0.20 -0.83 -1.32 0.00 0.00 176.35 173.53 1qf7 s GLY 337 N 1.34 1.15 -0.06 7.98 0.00 0.21 -0.16 107.32 117.78 1qf7 s GLY 337 Ca 0.56 -1.15 0.05 0.00 0.00 0.00 0.00 44.72 44.18 1qf7 s GLY 337 CO 0.24 -1.13 -0.21 -1.36 0.00 0.00 0.00 173.10 170.64 1qf7 s PHE 338 N -1.05 2.54 -0.33 1.90 0.08 -0.02 -1.17 117.98 119.94 1qf7 s PHE 338 Ca 0.06 -0.56 -0.12 0.00 0.12 0.00 0.00 56.93 56.42 1qf7 s PHE 338 Cb -0.10 -1.63 -0.02 0.00 -0.57 0.00 0.00 43.02 40.70 1qf7 s PHE 338 CO 0.03 -0.11 0.22 -0.65 -0.10 0.00 0.00 175.22 174.61 1qf7 s GLN 339 N -0.25 3.50 -0.18 0.44 -0.21 -0.53 -0.21 119.66 122.22 1qf7 s GLN 339 Ca -0.00 -0.63 -0.05 0.00 0.02 0.00 0.00 55.36 54.69 1qf7 s GLN 339 Cb -0.13 -3.76 -0.03 0.00 1.00 0.00 0.00 33.01 30.09 1qf7 s GLN 339 CO 0.03 -0.42 -0.00 -0.51 -2.12 0.00 0.00 175.29 172.26 1qf7 s LEU 340 N 1.71 3.37 -0.08 2.90 1.43 -1.26 -1.88 118.68 124.86 1qf7 s LEU 340 Ca 0.06 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1qf7 s LEU 340 Cb -0.17 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.23 1qf7 s LEU 340 CO 0.10 0.13 -0.10 -0.63 0.23 0.00 0.00 176.35 176.08 1qf7 s ILE 341 N 0.63 1.06 0.57 -0.59 1.09 -0.42 -4.99 121.20 118.54 1qf7 s ILE 341 Ca -0.01 -0.38 -0.21 0.00 -1.10 0.00 0.00 60.65 58.96 1qf7 s ILE 341 Cb -0.14 -1.02 -0.04 0.00 -1.06 0.00 0.00 42.46 40.20 1qf7 s ILE 341 CO 0.02 0.35 1.33 -2.84 -0.10 0.00 0.00 174.94 173.70 1qf7 s PRO 342 N 1.11 3.02 0.38 2.79 0.02 -1.26 -0.72 135.00 140.35 1qf7 s PRO 342 Ca -0.06 2.16 0.13 0.00 0.02 0.00 0.00 61.00 63.25 1qf7 s PRO 342 Cb -0.14 -2.15 0.95 0.00 0.02 0.00 0.00 34.50 33.17 1qf7 s PRO 342 CO -0.02 -1.26 1.84 1.49 -0.33 0.00 0.00 177.00 178.72 1qf7 h GLU 343 N 1.25 0.54 0.00 5.54 4.81 -1.95 -1.11 114.58 123.65 1qf7 h GLU 343 Ca -0.51 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1qf7 h GLU 343 Cb 1.31 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1qf7 h GLU 343 CO 0.56 0.35 0.00 0.93 -0.73 0.00 0.00 179.01 180.13 1qf7 h GLU 344 N 0.55 0.00 -0.62 1.92 3.07 -1.94 -2.56 114.58 114.99 1qf7 h GLU 344 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1qf7 h GLU 344 Cb 1.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1qf7 h GLU 344 CO -0.23 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.13 1qf7 n ASP 345 N -2.73 3.80 -0.26 1.42 8.00 -0.42 -4.62 116.55 121.73 1qf7 n ASP 345 Ca 0.01 -2.27 0.08 0.00 0.71 0.00 0.00 54.79 53.31 1qf7 n ASP 345 Cb 0.24 -0.49 0.21 0.00 -0.02 0.00 0.00 41.12 41.06 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 3.41 0.22 -0.59 -1.24 4.81 -1.55 -1.75 114.58 117.89 1qf7 h GLU 346 Ca 0.00 -0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 58.97 1qf7 h GLU 346 Cb 1.13 -0.05 -0.15 0.00 0.63 0.00 0.00 28.75 30.31 1qf7 h GLU 346 CO 0.14 0.15 0.20 1.19 -0.73 0.00 0.00 179.01 179.96 1qf7 n PHE 347 N -5.20 1.89 1.19 0.92 3.72 -1.26 -4.53 117.46 114.18 1qf7 n PHE 347 Ca 0.16 -1.47 0.13 0.00 -0.05 0.00 0.00 57.45 56.22 1qf7 n PHE 347 Cb 0.52 -0.63 0.29 0.00 -0.94 0.00 0.00 39.48 38.73 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 -0.82 2.04 -3.04 -1.08 5.02 -0.66 -4.93 118.16 114.69 1qf7 n LYS 348 Ca 0.40 -1.51 -0.18 0.00 -2.02 0.00 0.00 58.31 55.01 1qf7 n LYS 348 Cb 1.26 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 34.81 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 -1.97 2.86 -1.37 2.13 0.40 -1.26 -5.00 117.98 113.76 1qf7 s PHE 349 Ca 0.33 -0.34 0.08 0.00 -0.60 0.00 0.00 56.93 56.39 1qf7 s PHE 349 Cb 0.20 -2.36 0.32 0.00 0.51 0.00 0.00 43.02 41.69 1qf7 s PHE 349 CO 0.31 -0.40 1.14 -0.40 0.70 0.00 0.00 175.22 176.57 1qf7 n ASP 350 N -1.86 2.34 -4.27 1.36 5.68 -1.26 -4.82 116.55 113.72 1qf7 n ASP 350 Ca 0.07 -2.19 -0.15 0.00 -0.50 0.00 0.00 54.79 52.02 1qf7 n ASP 350 Cb 0.59 -0.39 -0.10 0.00 -1.14 0.00 0.00 41.12 40.08 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 -1.66 1.34 0.03 2.11 -0.71 -1.26 -5.03 117.98 112.79 1qf7 s PHE 351 Ca 0.22 -0.97 -0.30 0.00 -1.04 0.00 0.00 56.93 54.85 1qf7 s PHE 351 Cb 0.14 -0.76 -0.04 0.00 -1.21 0.00 0.00 43.02 41.15 1qf7 s PHE 351 CO 0.11 -0.13 1.00 0.34 -1.34 0.00 0.00 175.22 175.19 1qf7 s ASP 352 N -3.22 7.37 0.54 1.98 -1.08 -1.26 -4.94 116.67 116.06 1qf7 s ASP 352 Ca 0.25 1.72 0.32 0.00 -0.52 0.00 0.00 52.55 54.33 1qf7 s ASP 352 Cb 0.06 -2.58 1.46 0.00 -1.46 0.00 0.00 42.92 40.41 1qf7 s ASP 352 CO 0.05 -0.23 2.03 -0.07 0.52 0.00 0.00 175.17 177.47 1qf7 h LEU 353 N 6.51 0.00 -0.74 -1.34 3.38 -1.97 -2.46 115.31 118.68 1qf7 h LEU 353 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1qf7 h LEU 353 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1qf7 h LEU 353 CO 0.75 0.06 0.00 0.18 0.09 0.00 0.00 178.44 179.52 1qf7 n LEU 354 N -3.24 1.13 -4.52 1.67 4.77 -1.26 -4.43 117.00 111.11 1qf7 n LEU 354 Ca -0.00 -0.44 -0.43 0.00 -0.03 0.00 0.00 56.01 55.11 1qf7 n LEU 354 Cb 0.28 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.25 1qf7 n LEU 354 CO 0.28 0.22 0.28 -0.62 -1.33 0.00 0.00 177.39 176.22 1qf7 s ASP 355 N -1.71 6.30 0.00 -1.43 -1.08 -0.93 -4.32 116.67 113.50 1qf7 s ASP 355 Ca 0.34 -0.32 0.22 0.00 -0.52 0.00 0.00 52.55 52.27 1qf7 s ASP 355 Cb 0.18 -2.29 1.28 0.00 -1.46 0.00 0.00 42.92 40.63 1qf7 s ASP 355 CO 0.28 -0.66 1.69 -0.81 0.52 0.00 0.00 175.17 176.19 1qf7 n PRO 356 N 5.98 0.64 -0.24 4.34 -0.04 -1.26 -2.45 135.00 141.97 1qf7 n PRO 356 Ca -0.04 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.55 1qf7 n PRO 356 Cb 0.48 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.03 0.64 -5.24 0.52 -2.24 -1.26 -0.86 114.28 104.79 1qf7 n THR 357 Ca 0.16 -0.78 -0.32 0.00 -2.27 0.00 0.00 64.05 60.84 1qf7 n THR 357 Cb 0.09 0.73 -0.17 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.36 2.79 0.32 -0.78 -0.14 -1.02 -4.84 119.74 114.70 1qf7 s LYS 358 Ca 0.41 -0.89 0.05 0.00 -1.36 0.00 0.00 55.97 54.17 1qf7 s LYS 358 Cb 0.23 -2.23 -0.02 0.00 -1.68 0.00 0.00 37.83 34.13 1qf7 s LYS 358 CO 0.31 0.29 0.47 -0.48 -0.76 0.00 0.00 175.35 175.17 1qf7 s LEU 359 N 0.08 4.06 -0.41 3.17 0.05 -1.26 -4.84 118.68 119.52 1qf7 s LEU 359 Ca -0.11 0.04 -0.10 0.00 0.05 0.00 0.00 54.13 54.01 1qf7 s LEU 359 Cb -0.16 -2.91 0.07 0.00 -2.05 0.00 0.00 46.19 41.14 1qf7 s LEU 359 CO 0.06 -0.32 0.26 -0.63 -0.55 0.00 0.00 176.35 175.17 1qf7 s ILE 360 N -2.17 4.39 0.26 1.48 1.01 -1.26 -5.05 121.20 119.85 1qf7 s ILE 360 Ca 0.41 -1.26 -0.31 0.00 0.00 0.00 0.00 60.65 59.49 1qf7 s ILE 360 Cb -0.09 -3.63 -0.13 0.00 0.01 0.00 0.00 42.46 38.62 1qf7 s ILE 360 CO 0.32 -0.46 1.44 -2.65 0.00 0.00 0.00 174.94 173.59 1qf7 n PRO 361 N 4.96 2.18 0.25 2.79 -0.02 -1.26 -4.85 135.00 139.05 1qf7 n PRO 361 Ca -0.11 0.78 0.12 0.00 -2.02 0.00 0.00 63.50 62.27 1qf7 n PRO 361 Cb 0.44 -2.45 0.65 0.00 -0.02 0.00 0.00 33.50 32.11 1qf7 n PRO 361 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1qf7 h GLU 362 N 4.23 0.00 0.00 -0.52 5.08 -1.98 -0.74 114.58 120.65 1qf7 h GLU 362 Ca -0.45 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 1qf7 h GLU 362 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1qf7 h GLU 362 CO 0.76 0.14 -0.14 0.93 -1.00 0.00 0.00 179.01 179.70 1qf7 h GLU 363 N 0.00 0.00 0.08 2.33 4.39 -1.96 -2.97 114.58 116.45 1qf7 h GLU 363 Ca -0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.35 1qf7 h GLU 363 Cb 0.48 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1qf7 h GLU 363 CO 0.02 0.14 -1.92 1.28 -1.16 0.00 0.00 179.01 177.37 1qf7 n LEU 364 N -3.93 2.48 -3.58 1.33 4.77 -0.41 -4.83 117.00 112.83 1qf7 n LEU 364 Ca -0.02 0.22 -0.29 0.00 -0.03 0.00 0.00 56.01 55.89 1qf7 n LEU 364 Cb 0.23 -1.06 -0.15 0.00 -2.33 0.00 0.00 43.42 40.11 1qf7 n LEU 364 CO 0.32 0.73 -0.33 -0.69 -1.33 0.00 0.00 177.39 176.10 1qf7 s VAL 365 N -2.51 0.22 0.70 4.08 1.01 -0.48 -5.07 120.40 118.35 1qf7 s VAL 365 Ca -0.26 -1.06 -0.16 0.00 0.00 0.00 0.00 61.98 60.51 1qf7 s VAL 365 Cb 0.07 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1qf7 s VAL 365 CO 0.70 -0.75 1.22 -2.84 0.00 0.00 0.00 175.10 173.44 1qf7 s PRO 366 N 1.84 2.31 -0.17 2.72 0.02 -1.13 -4.15 135.00 136.44 1qf7 s PRO 366 Ca 0.10 1.81 -0.26 0.00 0.02 0.00 0.00 61.00 62.67 1qf7 s PRO 366 Cb -0.17 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 1qf7 s PRO 366 CO -0.29 -1.71 0.85 0.08 -0.33 0.00 0.00 177.00 175.59 1qf7 s VAL 367 N -1.86 4.87 -0.22 3.83 1.01 -1.26 -4.47 120.40 122.29 1qf7 s VAL 367 Ca 0.76 1.66 -0.15 0.00 0.00 0.00 0.00 61.98 64.25 1qf7 s VAL 367 Cb -0.30 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1qf7 s VAL 367 CO 0.43 0.01 0.38 -1.58 0.00 0.00 0.00 175.10 174.34 1qf7 s GLN 368 N 2.22 4.13 0.14 2.72 0.74 0.71 -4.84 119.66 125.49 1qf7 s GLN 368 Ca 0.39 0.14 -0.31 0.00 0.05 0.00 0.00 55.36 55.63 1qf7 s GLN 368 Cb -0.16 -3.56 -0.09 0.00 1.10 0.00 0.00 33.01 30.29 1qf7 s GLN 368 CO 0.12 -0.09 1.48 1.03 -0.55 0.00 0.00 175.29 177.28 1qf7 s ARG 369 N 1.48 4.27 0.00 1.67 0.52 -1.26 -0.84 118.95 124.79 1qf7 s ARG 369 Ca 0.18 2.22 0.00 0.00 -0.52 0.00 0.00 55.73 57.61 1qf7 s ARG 369 Cb -0.15 -3.20 0.00 0.00 0.52 0.00 0.00 34.95 32.12 1qf7 s ARG 369 CO 0.08 -0.52 0.00 0.28 0.02 0.00 0.00 175.30 175.16 1qf7 n VAL 370 N 3.93 0.00 -3.96 3.52 0.31 0.77 -4.94 118.33 117.96 1qf7 n VAL 370 Ca 0.13 -0.01 0.01 0.00 -0.01 0.00 0.00 64.34 64.45 1qf7 n VAL 370 Cb 0.40 0.33 0.02 0.00 -0.91 0.00 0.00 33.84 33.68 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 -1.19 -0.03 -0.01 2.92 0.00 -1.20 -0.43 107.32 107.38 1qf7 s GLY 371 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 44.72 44.64 1qf7 s GLY 371 CO 0.00 4.73 -0.11 1.25 0.00 0.00 0.00 173.10 178.97 1qf7 s LYS 372 N -2.04 0.97 -0.06 2.90 2.20 -0.45 -0.81 119.74 122.45 1qf7 s LYS 372 Ca 0.27 -0.39 0.03 0.00 -0.36 0.00 0.00 55.97 55.52 1qf7 s LYS 372 Cb -0.01 -0.92 -0.03 0.00 -1.51 0.00 0.00 37.83 35.36 1qf7 s LYS 372 CO 0.01 0.21 -0.12 1.41 -0.36 0.00 0.00 175.35 176.50 1qf7 s MET 373 N -0.13 2.63 -0.08 4.03 -2.45 0.21 -2.32 119.30 121.20 1qf7 s MET 373 Ca 0.02 -0.65 0.04 0.00 -1.25 0.00 0.00 55.69 53.85 1qf7 s MET 373 Cb -0.06 -2.46 0.00 0.00 1.25 0.00 0.00 34.83 33.57 1qf7 s MET 373 CO -0.00 0.61 -0.21 0.08 1.05 0.00 0.00 175.02 176.55 1qf7 s VAL 374 N -0.67 1.80 -0.36 10.11 1.01 0.12 -1.68 120.40 130.72 1qf7 s VAL 374 Ca 0.10 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 1qf7 s VAL 374 Cb -0.11 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.73 1qf7 s VAL 374 CO 0.01 0.50 0.19 -0.76 0.00 0.00 0.00 175.10 175.05 1qf7 s LEU 375 N 0.32 4.56 -0.04 3.92 1.02 -0.05 -1.45 118.68 126.96 1qf7 s LEU 375 Ca -0.15 -0.86 0.05 0.00 0.02 0.00 0.00 54.13 53.20 1qf7 s LEU 375 Cb -0.16 -2.02 0.08 0.00 0.02 0.00 0.00 46.19 44.10 1qf7 s LEU 375 CO 0.07 -0.33 0.93 -0.46 0.02 0.00 0.00 176.35 176.57 1qf7 n ASN 376 N 5.00 1.10 -3.67 2.29 6.94 -0.66 -3.65 115.26 122.60 1qf7 n ASN 376 Ca -0.12 -2.06 -0.10 0.00 -0.02 0.00 0.00 54.58 52.27 1qf7 n ASN 376 Cb 0.47 -0.17 -0.09 0.00 -2.36 0.00 0.00 39.78 37.63 1qf7 n ASN 376 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1qf7 s ARG 377 N -1.01 0.56 0.67 -3.83 1.81 -1.01 -5.01 118.95 111.14 1qf7 s ARG 377 Ca 0.09 0.93 -0.10 0.00 -1.72 0.00 0.00 55.73 54.93 1qf7 s ARG 377 Cb 0.08 0.12 0.01 0.00 -0.45 0.00 0.00 34.95 34.70 1qf7 s ARG 377 CO 0.01 -0.14 1.05 -0.80 -0.68 0.00 0.00 175.30 174.74 1qf7 s ASN 378 N 1.20 5.56 1.17 0.23 0.01 -1.26 -0.75 114.94 121.10 1qf7 s ASN 378 Ca -0.07 1.08 -0.16 0.00 -0.71 0.00 0.00 52.86 52.99 1qf7 s ASN 378 Cb -0.06 -1.94 0.27 0.00 0.41 0.00 0.00 41.25 39.93 1qf7 s ASN 378 CO -0.12 -1.24 1.05 -2.84 -1.51 0.00 0.00 177.10 172.45 1qf7 s PRO 379 N -5.27 -0.97 -0.19 -0.60 0.02 -1.26 -3.83 135.00 122.89 1qf7 s PRO 379 Ca 0.57 0.34 -0.05 0.00 0.02 0.00 0.00 61.00 61.88 1qf7 s PRO 379 Cb -0.11 -1.59 -0.21 0.00 0.02 0.00 0.00 34.50 32.61 1qf7 s PRO 379 CO 0.51 -3.63 0.08 -0.25 -0.33 0.00 0.00 177.00 173.38 1qf7 n ASP 380 N -4.78 2.04 -3.79 2.53 8.00 -1.26 -1.78 116.55 117.51 1qf7 n ASP 380 Ca 0.08 0.09 -0.26 0.00 0.71 0.00 0.00 54.79 55.41 1qf7 n ASP 380 Cb 0.58 -0.69 -0.17 0.00 -0.02 0.00 0.00 41.12 40.82 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 -6.85 2.33 0.14 -2.24 3.84 -1.26 -4.64 114.94 106.25 1qf7 s ASN 381 Ca -0.29 -0.47 -0.22 0.00 0.21 0.00 0.00 52.86 52.10 1qf7 s ASN 381 Cb 0.08 -0.62 0.00 0.00 -0.55 0.00 0.00 41.25 40.17 1qf7 s ASN 381 CO 0.68 -0.22 1.65 0.15 -2.79 0.00 0.00 177.10 176.56 1qf7 h PHE 382 N 8.25 -0.49 -0.05 0.43 3.04 -1.98 -2.00 116.94 124.14 1qf7 h PHE 382 Ca -0.20 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.78 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 0.40 -0.26 0.03 0.35 -2.02 0.00 0.00 178.31 176.81 1qf7 h PHE 383 N -0.22 0.05 -0.87 0.41 3.57 -1.96 0.36 116.94 118.28 1qf7 h PHE 383 Ca 0.11 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1qf7 h PHE 383 Cb 0.38 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1qf7 h PHE 383 CO -0.32 0.03 0.44 0.00 -2.23 0.00 0.00 178.31 176.23 1qf7 h ALA 384 N 1.02 1.15 0.00 2.41 0.00 -1.89 -2.21 119.26 119.74 1qf7 h ALA 384 Ca 0.02 -0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.45 1qf7 h ALA 384 Cb -0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.39 1qf7 h ALA 384 CO -0.01 0.66 -2.20 0.39 0.00 0.00 0.00 179.25 178.09 1qf7 n GLU 385 N -4.32 0.50 -0.01 0.00 1.02 -0.79 -4.23 120.64 112.82 1qf7 n GLU 385 Ca 0.09 0.15 -0.01 0.00 -0.02 0.00 0.00 57.16 57.37 1qf7 n GLU 385 Cb 0.12 -1.37 -0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 -0.29 -0.05 -0.51 1.62 -0.00 -0.49 -3.20 115.58 112.65 1qf7 h ASN 386 Ca -0.50 0.00 0.09 0.00 -0.00 0.00 0.00 56.30 55.89 1qf7 h ASN 386 Cb 1.63 0.01 -0.08 0.00 -0.00 0.00 0.00 38.32 39.89 1qf7 h ASN 386 CO -0.17 0.27 0.07 -0.08 -0.00 0.00 0.00 177.43 177.52 1qf7 h GLU 387 N -0.68 0.19 0.00 6.67 4.57 -1.10 -1.01 114.58 123.22 1qf7 h GLU 387 Ca -0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1qf7 h GLU 387 Cb 0.05 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1qf7 h GLU 387 CO 0.01 0.13 0.00 1.04 -1.18 0.00 0.00 179.01 179.01 1qf7 n GLN 388 N -5.15 0.35 -1.87 1.92 6.02 -0.85 -4.89 117.38 112.91 1qf7 n GLN 388 Ca 0.06 0.05 -0.41 0.00 -0.01 0.00 0.00 57.00 56.69 1qf7 n GLN 388 Cb 0.26 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.01 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 -2.58 3.65 -0.19 -1.58 0.00 -0.39 -4.87 121.76 115.80 1qf7 s ALA 389 Ca 0.23 1.49 -0.00 0.00 0.00 0.00 0.00 51.96 53.68 1qf7 s ALA 389 Cb 0.17 -3.60 0.05 0.00 0.00 0.00 0.00 23.12 19.74 1qf7 s ALA 389 CO 0.38 -0.92 -0.05 0.00 0.00 0.00 0.00 175.76 175.17 1qf7 s ALA 390 N -0.45 1.65 0.01 0.00 0.00 -1.26 -5.06 121.76 116.65 1qf7 s ALA 390 Ca 0.58 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.53 1qf7 s ALA 390 Cb -0.45 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 1qf7 s ALA 390 CO 0.52 -0.96 -0.03 -0.06 0.00 0.00 0.00 175.76 175.23 1qf7 s PHE 391 N 1.55 2.98 -0.02 0.00 0.40 -1.26 -5.01 117.98 116.63 1qf7 s PHE 391 Ca -0.02 0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.33 1qf7 s PHE 391 Cb -0.17 -1.63 0.02 0.00 0.51 0.00 0.00 43.02 41.75 1qf7 s PHE 391 CO -0.07 0.42 0.00 -0.65 0.70 0.00 0.00 175.22 175.62 1qf7 s GLN 392 N -1.54 0.17 0.52 0.44 -0.21 -1.26 -4.97 119.66 112.81 1qf7 s GLN 392 Ca 0.19 0.07 0.26 0.00 0.02 0.00 0.00 55.36 55.90 1qf7 s GLN 392 Cb -0.11 -0.34 1.41 0.00 1.00 0.00 0.00 33.01 34.97 1qf7 s GLN 392 CO 0.09 -0.10 2.07 -1.00 -2.12 0.00 0.00 175.29 174.23 1qf7 h PRO 393 N 6.99 0.00 0.00 2.91 0.13 -1.88 0.06 132.00 140.21 1qf7 h PRO 393 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 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 0.49 0.12 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 1qf7 n GLY 394 N -0.74 -0.97 3.48 1.56 0.00 -1.26 -4.45 105.19 102.82 1qf7 n GLY 394 Ca -0.02 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1qf7 n GLY 394 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qf7 s HIS 395 N -2.60 3.04 0.43 1.61 3.76 0.01 -4.96 115.29 116.58 1qf7 s HIS 395 Ca 0.19 -1.41 0.06 0.00 -0.15 0.00 0.00 55.06 53.75 1qf7 s HIS 395 Cb 0.14 -4.40 -0.06 0.00 1.11 0.00 0.00 32.58 29.37 1qf7 s HIS 395 CO 0.31 -1.59 0.06 0.96 -0.85 0.00 0.00 174.74 173.64 1qf7 s ILE 396 N 3.08 1.92 0.19 0.60 -4.36 -1.26 -1.57 121.20 119.80 1qf7 s ILE 396 Ca 0.38 -1.91 0.04 0.00 -0.26 0.00 0.00 60.65 58.90 1qf7 s ILE 396 Cb -0.03 -2.82 -0.05 0.00 1.25 0.00 0.00 42.46 40.81 1qf7 s ILE 396 CO -0.07 0.00 -0.04 0.68 0.24 0.00 0.00 174.94 175.75 1qf7 s VAL 397 N -2.71 1.04 0.18 8.37 -7.23 -1.26 -4.86 120.40 113.91 1qf7 s VAL 397 Ca 0.31 -2.04 -0.33 0.00 -1.81 0.00 0.00 61.98 58.12 1qf7 s VAL 397 Cb 0.07 -2.11 -0.15 0.00 0.56 0.00 0.00 36.38 34.74 1qf7 s VAL 397 CO 0.17 -0.51 1.35 -2.65 -0.31 0.00 0.00 175.10 173.15 1qf7 n PRO 398 N -0.30 1.64 0.00 4.82 -0.02 -1.26 -1.50 135.00 138.38 1qf7 n PRO 398 Ca -0.07 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1qf7 n PRO 398 Cb 0.62 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1qf7 n PRO 398 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qf7 n GLY 399 N 2.41 1.14 3.27 -1.23 0.00 -1.26 -3.47 105.19 106.05 1qf7 n GLY 399 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 2.44 0.29 0.99 1.43 -0.56 -1.27 118.68 122.01 1qf7 s LEU 400 Ca 0.00 -0.87 -0.13 0.00 -1.03 0.00 0.00 54.13 52.10 1qf7 s LEU 400 Cb 0.00 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.66 1qf7 s LEU 400 CO 0.00 -0.16 0.56 -0.62 0.23 0.00 0.00 176.35 176.36 1qf7 s ASP 401 N -2.68 0.05 0.79 2.29 -1.08 -0.12 -4.73 116.67 111.19 1qf7 s ASP 401 Ca 0.12 -0.99 -0.04 0.00 -0.52 0.00 0.00 52.55 51.12 1qf7 s ASP 401 Cb -0.03 0.66 0.15 0.00 -1.46 0.00 0.00 42.92 42.24 1qf7 s ASP 401 CO 0.04 -1.28 1.00 0.49 0.52 0.00 0.00 175.17 175.93 1qf7 n PHE 402 N -0.45 -3.26 -4.50 -5.34 3.72 -1.26 -1.64 117.46 104.73 1qf7 n PHE 402 Ca -0.03 -1.46 -0.25 0.00 -0.05 0.00 0.00 57.45 55.66 1qf7 n PHE 402 Cb 0.61 -0.74 -0.08 0.00 -0.94 0.00 0.00 39.48 38.33 1qf7 n PHE 402 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1qf7 s THR 403 N -3.05 0.60 -2.01 4.37 -4.23 -1.26 -4.27 115.64 105.80 1qf7 s THR 403 Ca 0.63 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.19 1qf7 s THR 403 Cb -0.03 -2.37 0.15 0.00 1.34 0.00 0.00 72.50 71.59 1qf7 s THR 403 CO 0.42 0.00 1.19 0.59 -0.54 0.00 0.00 174.62 176.29 1qf7 n ASN 404 N -1.28 0.22 -4.60 3.99 3.02 -1.26 -4.70 115.26 110.65 1qf7 n ASN 404 Ca -0.05 -1.87 -0.59 0.00 -0.03 0.00 0.00 54.58 52.03 1qf7 n ASN 404 Cb 0.65 -0.02 -0.09 0.00 -0.61 0.00 0.00 39.78 39.71 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 -0.44 1.80 0.16 6.41 -0.08 -1.26 -4.80 116.55 118.33 1qf7 n ASP 405 Ca 0.05 0.93 0.13 0.00 -1.51 0.00 0.00 54.79 54.38 1qf7 n ASP 405 Cb 0.05 -1.06 0.55 0.00 2.34 0.00 0.00 41.12 43.00 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 7.87 0.00 0.03 -0.67 0.13 -1.77 -0.24 132.00 137.35 1qf7 h PRO 406 Ca -0.36 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.62 1qf7 h PRO 406 Cb 1.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1qf7 h PRO 406 CO 1.00 0.00 -0.77 1.25 -0.23 0.00 0.00 178.00 179.25 1qf7 h LEU 407 N 0.00 0.11 -0.48 1.56 5.85 -1.83 -2.84 115.31 117.67 1qf7 h LEU 407 Ca 0.00 -0.80 0.03 0.00 0.84 0.00 0.00 57.88 57.95 1qf7 h LEU 407 Cb 0.34 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1qf7 h LEU 407 CO 0.00 1.32 0.27 0.25 -0.34 0.00 0.00 178.44 179.94 1qf7 h LEU 408 N -0.82 0.42 -1.04 2.25 5.85 -1.85 -2.28 115.31 117.84 1qf7 h LEU 408 Ca -0.19 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.68 1qf7 h LEU 408 Cb 1.30 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.17 1qf7 h LEU 408 CO -0.05 0.30 0.62 1.56 -0.34 0.00 0.00 178.44 180.53 1qf7 h GLN 409 N 0.54 0.88 0.00 1.25 1.08 -1.18 -2.42 115.11 115.26 1qf7 h GLN 409 Ca 0.20 -0.05 -0.19 0.00 -1.45 0.00 0.00 58.65 57.15 1qf7 h GLN 409 Cb 0.05 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 1qf7 h GLN 409 CO -0.11 0.59 -0.91 0.78 -0.95 0.00 0.00 178.83 178.22 1qf7 h GLY 410 N 0.91 0.00 2.00 3.46 0.00 -1.51 -2.77 103.07 105.17 1qf7 h GLY 410 Ca 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.83 1qf7 h GLY 410 CO -0.29 0.00 -0.05 3.21 0.00 0.00 0.00 176.54 179.42 1qf7 h ARG 411 N 0.00 0.00 0.00 4.80 3.08 -0.96 -2.37 114.38 118.93 1qf7 h ARG 411 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1qf7 h ARG 411 Cb 1.63 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.67 1qf7 h ARG 411 CO 0.12 0.05 -0.19 -0.07 -1.07 0.00 0.00 179.97 178.80 1qf7 h LEU 412 N 0.00 0.00 0.03 3.04 3.38 -1.17 -3.15 115.31 117.44 1qf7 h LEU 412 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1qf7 h LEU 412 Cb 0.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.86 1qf7 h LEU 412 CO 0.01 0.19 -0.23 0.15 0.09 0.00 0.00 178.44 178.65 1qf7 h PHE 413 N 0.00 0.18 -0.53 1.13 3.57 -1.57 -3.42 116.94 116.29 1qf7 h PHE 413 Ca -0.00 -0.11 -0.08 0.00 3.53 0.00 0.00 57.97 61.30 1qf7 h PHE 413 Cb 0.42 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1qf7 h PHE 413 CO 0.00 1.02 0.01 1.03 -2.23 0.00 0.00 178.31 178.14 1qf7 h SER 414 N -0.72 0.87 -0.33 0.41 0.87 -1.49 -3.22 113.55 109.94 1qf7 h SER 414 Ca -0.04 -0.22 -0.17 0.00 -1.23 0.00 0.00 61.79 60.13 1qf7 h SER 414 Cb 1.11 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1qf7 h SER 414 CO 0.04 0.93 -0.46 1.88 -0.53 0.00 0.00 176.83 178.69 1qf7 h TYR 415 N 0.84 1.09 -0.55 2.24 -1.99 -1.81 -0.42 116.97 116.37 1qf7 h TYR 415 Ca 0.16 -0.36 -0.05 0.00 2.00 0.00 0.00 58.73 60.48 1qf7 h TYR 415 Cb 0.48 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 1qf7 h TYR 415 CO 0.03 1.19 0.17 1.15 -0.00 0.00 0.00 178.16 180.69 1qf7 h THR 416 N 0.69 1.24 -0.14 -2.88 2.02 -1.84 -2.22 112.91 109.78 1qf7 h THR 416 Ca 0.04 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1qf7 h THR 416 Cb 1.06 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1qf7 h THR 416 CO 0.11 0.30 0.09 -0.78 0.37 0.00 0.00 175.52 175.61 1qf7 h ASP 417 N 0.77 0.17 -0.11 4.18 3.58 -1.54 -2.95 116.42 120.51 1qf7 h ASP 417 Ca 0.18 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.56 1qf7 h ASP 417 Cb 0.29 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1qf7 h ASP 417 CO -0.00 0.14 -0.05 0.00 -2.88 0.00 0.00 179.24 176.45 1qf7 h THR 418 N 0.18 1.18 0.00 2.25 1.03 -0.85 -2.69 112.91 114.00 1qf7 h THR 418 Ca 0.05 -0.73 -0.01 0.00 -0.01 0.00 0.00 66.41 65.71 1qf7 h THR 418 Cb 0.00 1.05 -0.00 0.00 -1.07 0.00 0.00 68.15 68.13 1qf7 h THR 418 CO -0.01 0.24 -0.04 1.56 -0.01 0.00 0.00 175.52 177.26 1qf7 h GLN 419 N 0.36 0.00 -0.19 0.00 4.20 -1.24 -1.71 115.11 116.54 1qf7 h GLN 419 Ca 0.08 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 1qf7 h GLN 419 Cb 0.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1qf7 h GLN 419 CO 0.01 0.04 -0.22 0.82 -0.67 0.00 0.00 178.83 178.81 1qf7 h ILE 420 N 0.00 1.24 0.01 2.54 1.08 -1.34 -0.78 117.51 120.25 1qf7 h ILE 420 Ca -0.00 -1.11 -0.37 0.00 -0.39 0.00 0.00 64.86 62.98 1qf7 h ILE 420 Cb 0.60 1.35 -0.07 0.00 -3.07 0.00 0.00 36.82 35.63 1qf7 h ILE 420 CO 0.01 0.35 -2.36 -1.54 -0.69 0.00 0.00 178.15 173.91 1qf7 n SER 421 N -4.17 1.03 -0.18 1.72 3.41 -1.05 -1.09 113.62 113.29 1qf7 n SER 421 Ca -0.01 -0.02 -0.04 0.00 -0.26 0.00 0.00 58.87 58.54 1qf7 n SER 421 Cb 0.36 0.22 0.06 0.00 -0.26 0.00 0.00 64.21 64.58 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 0.00 0.56 -0.22 4.33 2.43 -1.25 -3.04 114.38 117.19 1qf7 h ARG 422 Ca -0.54 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 1qf7 h ARG 422 Cb 2.07 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.50 1qf7 h ARG 422 CO -0.01 0.37 0.00 1.28 -1.51 0.00 0.00 179.97 180.09 1qf7 n LEU 423 N -4.84 3.42 0.00 3.80 4.77 -0.31 -4.37 117.00 119.48 1qf7 n LEU 423 Ca 0.05 -2.83 0.00 0.00 -0.03 0.00 0.00 56.01 53.20 1qf7 n LEU 423 Cb 0.13 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1qf7 n LEU 423 CO 0.30 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 1qf7 n GLY 424 N -0.50 0.56 0.00 -0.72 0.00 -1.13 -4.82 105.19 98.58 1qf7 n GLY 424 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1qf7 n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qf7 n GLY 425 N -2.87 0.35 0.00 -0.02 0.00 -0.25 -4.79 105.19 97.61 1qf7 n GLY 425 Ca 0.00 -1.33 0.13 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.13 0.23 -0.74 1.61 -0.04 -1.26 -3.68 135.00 129.98 1qf7 n PRO 426 Ca 0.00 0.05 -0.15 0.00 -0.04 0.00 0.00 63.50 63.36 1qf7 n PRO 426 Cb 0.00 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.37 3.65 0.16 3.54 3.02 -1.26 -4.57 115.26 118.43 1qf7 n ASN 427 Ca 0.10 -2.97 0.12 0.00 -0.03 0.00 0.00 54.58 51.80 1qf7 n ASN 427 Cb 0.24 -0.72 0.57 0.00 -0.61 0.00 0.00 39.78 39.27 1qf7 n ASN 427 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1qf7 h PHE 428 N 0.65 0.00 0.00 3.10 -5.15 -1.88 -0.50 116.94 113.17 1qf7 h PHE 428 Ca 0.38 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.15 1qf7 h PHE 428 Cb 2.03 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.20 1qf7 h PHE 428 CO 0.94 0.00 0.00 -2.39 -2.00 0.00 0.00 178.31 174.86 1qf7 n HIS 429 N -2.31 0.33 1.07 6.09 1.44 -1.26 -2.30 115.22 118.28 1qf7 n HIS 429 Ca 0.00 0.12 0.12 0.00 -2.01 0.00 0.00 57.72 55.95 1qf7 n HIS 429 Cb 0.13 -0.69 0.32 0.00 0.12 0.00 0.00 29.99 29.87 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 -1.79 0.21 -2.24 -1.40 1.02 -0.20 -3.37 120.64 112.87 1qf7 n GLU 430 Ca 0.04 -0.11 -0.42 0.00 -0.02 0.00 0.00 57.16 56.64 1qf7 n GLU 430 Cb 0.25 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 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 -2.87 3.76 0.27 -3.67 1.01 -0.97 -4.85 121.20 113.88 1qf7 s ILE 431 Ca 0.15 1.14 -0.07 0.00 0.00 0.00 0.00 60.65 61.87 1qf7 s ILE 431 Cb 0.18 -3.73 0.44 0.00 0.01 0.00 0.00 42.46 39.36 1qf7 s ILE 431 CO 0.64 -0.00 1.49 -2.65 0.00 0.00 0.00 174.94 174.42 1qf7 n PRO 432 N 5.35 -0.09 -0.01 2.79 -0.02 -1.26 -0.73 135.00 141.04 1qf7 n PRO 432 Ca 0.13 1.48 0.04 0.00 -2.02 0.00 0.00 63.50 63.13 1qf7 n PRO 432 Cb 0.44 -2.23 0.42 0.00 -0.02 0.00 0.00 33.50 32.11 1qf7 n PRO 432 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1qf7 h ILE 433 N 0.00 1.10 0.00 4.25 6.09 -1.90 -2.65 117.51 124.40 1qf7 h ILE 433 Ca 0.47 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 63.76 1qf7 h ILE 433 Cb 0.73 0.48 0.00 0.00 0.47 0.00 0.00 36.82 38.50 1qf7 h ILE 433 CO -0.98 0.10 -0.28 0.59 -3.07 0.00 0.00 178.15 174.52 1qf7 n ASN 434 N -4.47 0.45 -4.74 2.19 3.02 0.09 -4.94 115.26 106.85 1qf7 n ASN 434 Ca 0.03 0.22 -0.41 0.00 -0.03 0.00 0.00 54.58 54.39 1qf7 n ASN 434 Cb 0.06 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.02 1qf7 n ASN 434 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1qf7 s ARG 435 N -3.06 4.26 0.80 3.52 0.52 -1.00 -4.84 118.95 119.16 1qf7 s ARG 435 Ca 0.11 2.30 -0.14 0.00 -0.52 0.00 0.00 55.73 57.49 1qf7 s ARG 435 Cb 0.16 -3.11 0.07 0.00 0.52 0.00 0.00 34.95 32.59 1qf7 s ARG 435 CO 0.63 -0.43 1.12 -2.30 0.02 0.00 0.00 175.30 174.34 1qf7 n PRO 436 N 2.46 0.19 0.00 3.54 -0.02 -1.26 -4.93 135.00 134.99 1qf7 n PRO 436 Ca 0.07 0.14 0.10 0.00 -2.02 0.00 0.00 63.50 61.79 1qf7 n PRO 436 Cb 0.40 -2.37 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 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 -3.21 0.00 -2.94 3.45 -2.24 -1.26 -4.92 114.28 103.16 1qf7 n THR 437 Ca 0.13 -0.05 -0.22 0.00 -2.27 0.00 0.00 64.05 61.64 1qf7 n THR 437 Cb 0.50 1.02 0.02 0.00 -2.10 0.00 0.00 70.33 69.77 1qf7 n THR 437 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qf7 n PRO 439 N -2.10 0.59 -3.68 0.00 -0.02 -1.26 -5.04 135.00 123.49 1qf7 n PRO 439 Ca 0.03 0.27 -0.10 0.00 -2.02 0.00 0.00 63.50 61.67 1qf7 n PRO 439 Cb 0.58 -2.39 -0.11 0.00 -0.02 0.00 0.00 33.50 31.56 1qf7 n PRO 439 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1qf7 s TYR 440 N -1.78 -0.62 -0.09 6.00 -0.85 -1.26 -4.97 117.35 113.78 1qf7 s TYR 440 Ca 0.76 1.27 -0.07 0.00 -0.52 0.00 0.00 57.07 58.52 1qf7 s TYR 440 Cb -0.34 0.21 0.03 0.00 0.38 0.00 0.00 41.96 42.25 1qf7 s TYR 440 CO 0.47 -0.38 0.23 -1.01 -1.52 0.00 0.00 175.55 173.34 1qf7 s HIS 441 N 1.95 -0.28 0.00 -3.49 3.76 -1.26 -5.16 115.29 110.82 1qf7 s HIS 441 Ca -0.05 0.68 0.00 0.00 -0.15 0.00 0.00 55.06 55.54 1qf7 s HIS 441 Cb -0.10 0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.65 1qf7 s HIS 441 CO -0.12 -0.17 0.00 0.27 -0.85 0.00 0.00 174.74 173.88 1qf7 n ASN 442 N 3.49 0.00 -1.15 1.40 0.23 -1.26 -4.93 115.26 113.03 1qf7 n ASN 442 Ca -0.18 -0.85 0.08 0.00 -0.53 0.00 0.00 54.58 53.10 1qf7 n ASN 442 Cb 0.56 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 38.54 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 1.09 -2.50 -2.53 3.72 -1.26 -4.93 117.46 111.05 1qf7 n PHE 443 Ca 0.00 -0.67 -0.40 0.00 -0.05 0.00 0.00 57.45 56.34 1qf7 n PHE 443 Cb 0.00 -0.22 -0.04 0.00 -0.94 0.00 0.00 39.48 38.28 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 -1.96 4.56 0.17 -1.08 -0.21 -1.26 -4.68 119.66 115.20 1qf7 s GLN 444 Ca 0.42 1.73 -0.03 0.00 0.02 0.00 0.00 55.36 57.50 1qf7 s GLN 444 Cb 0.28 -3.07 -0.03 0.00 1.00 0.00 0.00 33.01 31.19 1qf7 s GLN 444 CO 0.17 0.16 0.15 1.03 -2.12 0.00 0.00 175.29 174.68 1qf7 s ARG 445 N -1.63 1.12 3.33 2.91 1.81 -1.26 -5.08 118.95 120.15 1qf7 s ARG 445 Ca 0.47 -1.47 0.00 0.00 -1.72 0.00 0.00 55.73 53.01 1qf7 s ARG 445 Cb -0.30 0.29 0.00 0.00 -0.45 0.00 0.00 34.95 34.49 1qf7 s ARG 445 CO 0.38 -0.37 0.00 -0.25 -0.68 0.00 0.00 175.30 174.38 1qf7 n ASP 446 N -0.21 -0.42 0.00 0.23 8.00 -1.26 -5.06 116.55 117.83 1qf7 n ASP 446 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1qf7 n ASP 446 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 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 -0.48 3.63 0.44 0.00 -1.26 -4.67 105.19 102.85 1qf7 n GLY 447 Ca 0.00 -1.56 -0.45 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.03 1.65 -3.80 1.61 1.56 -1.26 -2.67 117.12 114.17 1qf7 n MET 448 Ca 0.00 0.58 -0.23 0.00 -0.27 0.00 0.00 57.70 57.78 1qf7 n MET 448 Cb 0.00 -2.11 0.02 0.00 2.15 0.00 0.00 33.22 33.28 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 1.11 -1.86 -2.25 1.12 -0.00 -1.26 -4.44 115.22 107.65 1qf7 n HIS 449 Ca 0.11 0.82 -0.43 0.00 -0.00 0.00 0.00 57.72 58.22 1qf7 n HIS 449 Cb 0.31 -4.15 -0.02 0.00 -0.00 0.00 0.00 29.99 26.12 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 -6.21 4.12 -0.21 1.57 6.06 -1.09 -4.89 118.95 118.30 1qf7 s ARG 450 Ca 0.06 1.79 -0.19 0.00 -2.50 0.00 0.00 55.73 54.89 1qf7 s ARG 450 Cb -0.03 -3.89 -0.19 0.00 0.06 0.00 0.00 34.95 30.91 1qf7 s ARG 450 CO 0.84 -0.88 0.14 -1.33 -2.50 0.00 0.00 175.30 171.57 1qf7 n MET 451 N 7.00 0.59 -1.95 5.12 2.81 -1.26 -4.95 117.12 124.47 1qf7 n MET 451 Ca 0.16 0.50 -0.42 0.00 -1.81 0.00 0.00 57.70 56.13 1qf7 n MET 451 Cb 0.44 -1.70 -0.03 0.00 -0.71 0.00 0.00 33.22 31.22 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 -5.03 1.59 -0.45 3.03 0.00 -1.26 -4.96 107.32 100.24 1qf7 s GLY 452 Ca -0.30 1.33 -0.13 0.00 0.00 0.00 0.00 44.72 45.62 1qf7 s GLY 452 CO 0.59 2.64 0.35 -0.42 0.00 0.00 0.00 173.10 176.26 1qf7 s ILE 453 N 1.33 4.84 0.08 0.90 1.01 -1.26 -4.99 121.20 123.11 1qf7 s ILE 453 Ca 0.70 -1.22 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 1qf7 s ILE 453 Cb -0.43 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.06 1qf7 s ILE 453 CO 0.31 -0.56 1.14 -1.81 0.00 0.00 0.00 174.94 174.01 1qf7 s ASP 454 N 2.46 7.17 0.00 3.58 1.01 -1.26 -4.93 116.67 124.70 1qf7 s ASP 454 Ca 0.04 1.97 0.20 0.00 0.71 0.00 0.00 52.55 55.47 1qf7 s ASP 454 Cb -0.24 -2.58 -0.18 0.00 1.01 0.00 0.00 42.92 40.93 1qf7 s ASP 454 CO 0.05 -0.37 0.86 0.35 0.21 0.00 0.00 175.17 176.27 1qf7 n THR 455 N 3.53 0.00 -1.67 -1.27 -2.24 -1.26 -4.96 114.28 106.42 1qf7 n THR 455 Ca 0.07 -0.08 -0.50 0.00 -2.27 0.00 0.00 64.05 61.27 1qf7 n THR 455 Cb 0.47 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.69 1qf7 n THR 455 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1qf7 n ASN 456 N -1.22 2.86 0.25 3.42 2.85 -1.26 -4.85 115.26 117.31 1qf7 n ASN 456 Ca 0.05 1.05 0.08 0.00 -0.11 0.00 0.00 54.58 55.64 1qf7 n ASN 456 Cb 0.33 -1.32 0.63 0.00 1.24 0.00 0.00 39.78 40.65 1qf7 n ASN 456 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1qf7 h PRO 457 N 7.04 0.00 -5.93 1.20 0.11 -1.93 -3.41 132.00 129.08 1qf7 h PRO 457 Ca -0.47 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 64.99 1qf7 h PRO 457 Cb 1.28 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.31 1qf7 h PRO 457 CO 0.90 0.05 -0.55 0.00 -0.21 0.00 0.00 178.00 178.19 1qf7 s ALA 458 N -4.90 3.69 -0.13 -0.75 0.00 -1.26 -4.99 121.76 113.41 1qf7 s ALA 458 Ca -0.05 -0.83 0.19 0.00 0.00 0.00 0.00 51.96 51.27 1qf7 s ALA 458 Cb 0.16 -1.68 0.29 0.00 0.00 0.00 0.00 23.12 21.90 1qf7 s ALA 458 CO 0.67 0.70 1.15 0.27 0.00 0.00 0.00 175.76 178.55 1qf7 n ASN 459 N 1.19 2.33 -3.94 0.00 2.04 -1.26 -4.98 115.26 110.65 1qf7 n ASN 459 Ca -0.13 -3.10 -0.08 0.00 -0.44 0.00 0.00 54.58 50.83 1qf7 n ASN 459 Cb 0.53 -0.43 -0.08 0.00 -2.53 0.00 0.00 39.78 37.27 1qf7 n ASN 459 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1qf7 s TYR 460 N -2.88 0.30 -0.00 -2.53 1.13 -1.26 -4.79 117.35 107.31 1qf7 s TYR 460 Ca 0.32 -0.76 -0.03 0.00 -1.41 0.00 0.00 57.07 55.19 1qf7 s TYR 460 Cb 0.28 -0.17 -0.00 0.00 -1.10 0.00 0.00 41.96 40.97 1qf7 s TYR 460 CO 0.03 -0.50 0.06 -1.83 -2.51 0.00 0.00 175.55 170.79 1qf7 s GLU 461 N -3.89 0.28 0.46 -3.49 4.04 -1.26 -4.07 118.70 110.77 1qf7 s GLU 461 Ca 0.07 -0.29 -0.21 0.00 0.04 0.00 0.00 54.97 54.58 1qf7 s GLU 461 Cb 0.06 0.11 -0.09 0.00 0.02 0.00 0.00 34.13 34.23 1qf7 s GLU 461 CO -0.10 -0.05 1.02 -1.25 -1.84 0.00 0.00 175.26 173.04 1qf7 s PRO 462 N -0.88 3.94 0.05 -4.83 0.04 -1.26 -5.20 135.00 126.86 1qf7 s PRO 462 Ca -0.10 1.34 0.02 0.00 0.04 0.00 0.00 61.00 62.31 1qf7 s PRO 462 Cb -0.06 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 1qf7 s PRO 462 CO 0.00 -0.31 -0.08 0.54 0.04 0.00 0.00 177.00 177.19 1qf7 s ASN 463 N -1.95 0.97 -0.12 6.66 2.20 -1.26 -5.03 114.94 116.41 1qf7 s ASN 463 Ca 0.65 -0.62 0.18 0.00 -0.94 0.00 0.00 52.86 52.13 1qf7 s ASN 463 Cb -0.16 0.04 -0.26 0.00 -2.00 0.00 0.00 41.25 38.86 1qf7 s ASN 463 CO 0.20 -0.23 0.22 -1.54 -2.94 0.00 0.00 177.10 172.80 1qf7 n SER 464 N 1.22 0.37 0.20 3.54 3.41 -1.26 -1.09 113.62 120.01 1qf7 n SER 464 Ca -0.21 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.54 1qf7 n SER 464 Cb 0.55 1.35 0.66 0.00 -0.26 0.00 0.00 64.21 66.51 1qf7 n SER 464 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1qf7 h ILE 465 N 0.00 0.00 0.00 -1.33 3.07 -1.98 -0.74 117.51 116.53 1qf7 h ILE 465 Ca -0.31 -0.22 -0.01 0.00 1.55 0.00 0.00 64.86 65.87 1qf7 h ILE 465 Cb 1.67 1.00 -0.02 0.00 -0.27 0.00 0.00 36.82 39.19 1qf7 h ILE 465 CO 0.02 0.00 -0.25 -3.20 -1.05 0.00 0.00 178.15 173.67 1qf7 n ASN 466 N -2.57 1.79 -3.10 2.16 5.15 -1.26 -4.88 115.26 112.55 1qf7 n ASN 466 Ca 0.00 -3.06 -0.23 0.00 -0.60 0.00 0.00 54.58 50.69 1qf7 n ASN 466 Cb 0.18 -0.41 0.03 0.00 -0.53 0.00 0.00 39.78 39.05 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 -1.05 -5.74 -0.96 1.20 2.03 -0.28 -2.21 116.55 109.54 1qf7 n ASP 467 Ca 0.14 -0.31 -0.13 0.00 0.52 0.00 0.00 54.79 55.01 1qf7 n ASP 467 Cb 0.69 -4.65 -0.05 0.00 -0.72 0.00 0.00 41.12 36.39 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 -2.50 -5.16 -4.86 1.67 5.15 -0.25 -5.00 115.26 104.30 1qf7 n ASN 468 Ca -0.09 0.31 -0.32 0.00 -0.60 0.00 0.00 54.58 53.88 1qf7 n ASN 468 Cb 0.61 -3.77 -0.05 0.00 -0.53 0.00 0.00 39.78 36.04 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 -2.25 3.40 0.57 1.20 0.52 -0.94 -3.71 118.94 117.73 1qf7 s TRP 469 Ca 0.00 1.14 -0.19 0.00 0.02 0.00 0.00 56.10 57.07 1qf7 s TRP 469 Cb 0.00 -2.48 -0.05 0.00 -1.15 0.00 0.00 33.47 29.79 1qf7 s TRP 469 CO 0.00 0.07 1.17 -1.25 0.02 0.00 0.00 176.95 176.96 1qf7 s PRO 470 N -3.16 3.17 0.12 4.98 0.04 -1.26 -4.89 135.00 134.00 1qf7 s PRO 470 Ca 0.53 1.72 0.07 0.00 0.04 0.00 0.00 61.00 63.35 1qf7 s PRO 470 Cb -0.10 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1qf7 s PRO 470 CO 0.21 -1.02 -0.06 1.03 0.04 0.00 0.00 177.00 177.20 1qf7 s ARG 471 N -3.30 2.28 0.91 4.56 0.52 -1.24 -5.02 118.95 117.66 1qf7 s ARG 471 Ca 0.75 -1.01 -0.12 0.00 -0.52 0.00 0.00 55.73 54.84 1qf7 s ARG 471 Cb -0.27 -2.37 0.09 0.00 0.52 0.00 0.00 34.95 32.92 1qf7 s ARG 471 CO 0.30 0.50 0.81 0.39 0.02 0.00 0.00 175.30 177.32 1qf7 n GLU 472 N 0.47 -0.29 -3.96 3.54 1.02 -1.26 -5.04 120.64 115.11 1qf7 n GLU 472 Ca -0.12 -0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 56.79 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 -2.45 0.37 0.51 2.62 2.01 -1.26 -5.08 115.64 112.37 1qf7 s THR 473 Ca 0.63 0.03 -0.23 0.00 0.31 0.00 0.00 61.69 62.43 1qf7 s THR 473 Cb -0.23 -0.47 -0.06 0.00 0.01 0.00 0.00 72.50 71.75 1qf7 s THR 473 CO 0.61 0.21 1.34 -2.84 -0.69 0.00 0.00 174.62 173.26 1qf7 s PRO 474 N 1.32 3.33 0.66 4.92 0.02 -1.26 -2.19 135.00 141.81 1qf7 s PRO 474 Ca -0.05 2.21 -0.17 0.00 0.02 0.00 0.00 61.00 63.00 1qf7 s PRO 474 Cb -0.13 -2.36 -0.01 0.00 0.02 0.00 0.00 34.50 32.02 1qf7 s PRO 474 CO -0.02 -1.03 1.12 -0.35 -0.33 0.00 0.00 177.00 176.39 1qf7 n PRO 475 N -0.78 0.84 -2.72 5.54 -0.04 -1.25 -1.67 135.00 134.93 1qf7 n PRO 475 Ca 0.09 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1qf7 n PRO 475 Cb 0.45 -2.35 0.01 0.00 -0.04 0.00 0.00 33.50 31.56 1qf7 n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qf7 n GLY 476 N 1.05 0.69 0.23 0.55 0.00 -1.26 -4.75 105.19 101.69 1qf7 n GLY 476 Ca 0.15 -0.98 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 0.19 -2.12 1.61 0.13 -1.95 -3.40 132.00 126.46 1qf7 h PRO 477 Ca -0.11 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.90 1qf7 h PRO 477 Cb 0.56 -0.02 -0.20 0.00 0.13 0.00 0.00 31.00 31.47 1qf7 h PRO 477 CO 0.16 0.37 0.12 -1.59 -0.23 0.00 0.00 178.00 176.83 1qf7 s LYS 478 N -4.64 0.97 -1.86 0.86 -2.85 -1.26 -4.85 119.74 106.11 1qf7 s LYS 478 Ca -0.05 0.35 0.00 0.00 -1.00 0.00 0.00 55.97 55.27 1qf7 s LYS 478 Cb 0.15 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.38 1qf7 s LYS 478 CO 0.73 -0.27 0.00 0.54 0.10 0.00 0.00 175.35 176.45 1qf7 n ARG 479 N 1.31 -1.60 -3.34 1.78 5.12 -1.26 -4.97 116.66 113.70 1qf7 n ARG 479 Ca -0.18 1.05 -0.19 0.00 -1.93 0.00 0.00 57.85 56.59 1qf7 n ARG 479 Cb 0.57 -5.64 -0.01 0.00 -1.16 0.00 0.00 32.46 26.22 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 -2.23 2.06 0.68 -0.13 0.00 -1.26 -4.95 107.32 101.49 1qf7 s GLY 480 Ca 0.00 -1.80 -0.11 0.00 0.00 0.00 0.00 44.72 42.81 1qf7 s GLY 480 CO 0.00 -1.62 1.06 -0.32 0.00 0.00 0.00 173.10 172.21 1qf7 s GLY 481 N -4.23 1.71 0.01 0.20 0.00 -0.67 -4.76 107.32 99.58 1qf7 s GLY 481 Ca 0.51 0.10 -0.30 0.00 0.00 0.00 0.00 44.72 45.02 1qf7 s GLY 481 CO 0.30 0.40 1.05 -0.12 0.00 0.00 0.00 173.10 174.74 1qf7 s PHE 482 N -3.00 3.57 -0.07 1.90 2.19 -1.26 -3.75 117.98 117.55 1qf7 s PHE 482 Ca 0.58 1.56 -0.00 0.00 0.33 0.00 0.00 56.93 59.40 1qf7 s PHE 482 Cb -0.14 -3.22 0.02 0.00 -1.31 0.00 0.00 43.02 38.37 1qf7 s PHE 482 CO 0.53 -0.45 -0.03 -2.00 1.83 0.00 0.00 175.22 175.10 1qf7 s GLU 483 N 1.13 0.89 0.52 10.12 2.12 -1.26 -4.92 118.70 127.30 1qf7 s GLU 483 Ca 0.54 -0.05 -0.21 0.00 0.36 0.00 0.00 54.97 55.60 1qf7 s GLU 483 Cb -0.23 -1.05 -0.06 0.00 0.26 0.00 0.00 34.13 33.05 1qf7 s GLU 483 CO 0.28 -0.20 1.22 -1.12 -0.54 0.00 0.00 175.26 174.89 1qf7 s SER 484 N 1.49 5.71 0.19 -1.70 0.01 -1.26 -4.94 113.70 113.20 1qf7 s SER 484 Ca -0.02 2.42 -0.32 0.00 1.31 0.00 0.00 55.95 59.34 1qf7 s SER 484 Cb -0.13 -2.61 -0.12 0.00 0.21 0.00 0.00 66.02 63.37 1qf7 s SER 484 CO -0.03 -1.24 1.75 0.00 0.41 0.00 0.00 173.24 174.12 1qf7 n TYR 485 N -0.92 2.72 -1.11 2.43 9.36 -1.26 -4.88 117.16 123.49 1qf7 n TYR 485 Ca 0.10 -0.00 -0.31 0.00 3.32 0.00 0.00 57.90 61.01 1qf7 n TYR 485 Cb 0.48 -2.69 -0.04 0.00 -0.63 0.00 0.00 39.34 36.46 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 4.34 3.05 -1.72 2.98 6.02 -1.26 -4.95 117.38 125.84 1qf7 n GLN 486 Ca 0.17 -1.85 -0.42 0.00 -0.01 0.00 0.00 57.00 54.88 1qf7 n GLN 486 Cb 0.35 -2.61 -0.01 0.00 1.02 0.00 0.00 30.24 29.00 1qf7 n GLN 486 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1qf7 n GLU 487 N 3.63 2.30 -2.52 -1.09 2.13 -1.26 -4.96 120.64 118.86 1qf7 n GLU 487 Ca 0.65 0.81 -0.42 0.00 0.66 0.00 0.00 57.16 58.86 1qf7 n GLU 487 Cb 0.27 -2.45 -0.03 0.00 0.27 0.00 0.00 31.44 29.50 1qf7 n GLU 487 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1qf7 s ARG 488 N -1.61 4.48 -0.13 5.31 6.06 -1.26 -5.04 118.95 126.75 1qf7 s ARG 488 Ca 0.57 1.64 0.03 0.00 -2.50 0.00 0.00 55.73 55.47 1qf7 s ARG 488 Cb -0.55 -3.39 0.01 0.00 0.06 0.00 0.00 34.95 31.08 1qf7 s ARG 488 CO 0.60 -0.18 -0.21 0.08 -2.50 0.00 0.00 175.30 173.09 1qf7 s VAL 489 N 1.04 1.95 -0.11 7.11 1.01 -1.26 -5.11 120.40 125.03 1qf7 s VAL 489 Ca 0.56 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 1qf7 s VAL 489 Cb -0.26 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.44 1qf7 s VAL 489 CO 0.29 0.53 0.28 -1.61 0.00 0.00 0.00 175.10 174.59 1qf7 s GLU 490 N 0.77 0.27 0.00 2.72 2.02 -1.26 -5.14 118.70 118.08 1qf7 s GLU 490 Ca -0.09 0.52 0.00 0.00 0.02 0.00 0.00 54.97 55.42 1qf7 s GLU 490 Cb -0.16 -0.02 0.00 0.00 0.10 0.00 0.00 34.13 34.05 1qf7 s GLU 490 CO -0.00 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.57 1qf7 n GLY 491 N 3.82 -0.85 3.96 -1.39 0.00 -1.26 -5.14 105.19 104.32 1qf7 n GLY 491 Ca -0.21 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 43.98 1qf7 n GLY 491 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qf7 s ASN 492 N -0.95 6.31 -0.31 1.61 0.02 -1.26 -5.03 114.94 115.33 1qf7 s ASN 492 Ca 0.00 0.25 -0.28 0.00 -1.02 0.00 0.00 52.86 51.81 1qf7 s ASN 492 Cb 0.00 -1.94 -0.03 0.00 0.02 0.00 0.00 41.25 39.30 1qf7 s ASN 492 CO 0.00 -0.17 1.90 -0.54 0.02 0.00 0.00 177.10 178.31 1qf7 s LYS 493 N -4.13 3.26 0.00 -0.60 1.02 -1.26 -4.96 119.74 113.06 1qf7 s LYS 493 Ca 0.37 1.55 -0.02 0.00 0.02 0.00 0.00 55.97 57.89 1qf7 s LYS 493 Cb -0.09 -4.25 -0.01 0.00 -0.52 0.00 0.00 37.83 32.97 1qf7 s LYS 493 CO 0.32 -1.95 0.03 0.14 -0.92 0.00 0.00 175.35 172.98 1qf7 s VAL 494 N 7.33 0.06 -0.63 3.17 -7.23 -1.26 -5.08 120.40 116.75 1qf7 s VAL 494 Ca 0.84 -0.48 -0.15 0.00 -1.81 0.00 0.00 61.98 60.39 1qf7 s VAL 494 Cb -0.25 -0.21 0.16 0.00 0.56 0.00 0.00 36.38 36.64 1qf7 s VAL 494 CO 0.34 -0.26 0.58 -0.13 -0.31 0.00 0.00 175.10 175.31 1qf7 s ARG 495 N -0.81 3.15 -0.22 4.82 0.52 -1.26 -5.02 118.95 120.14 1qf7 s ARG 495 Ca -0.09 -1.97 -0.16 0.00 -0.52 0.00 0.00 55.73 53.00 1qf7 s ARG 495 Cb -0.05 -4.31 0.06 0.00 0.52 0.00 0.00 34.95 31.17 1qf7 s ARG 495 CO -0.00 -1.31 0.56 -2.00 0.02 0.00 0.00 175.30 172.57 1qf7 s GLU 496 N 1.10 0.60 0.21 3.54 2.12 -1.26 -5.15 118.70 119.87 1qf7 s GLU 496 Ca 0.08 0.92 -0.30 0.00 0.36 0.00 0.00 54.97 56.03 1qf7 s GLU 496 Cb -0.23 0.17 -0.08 0.00 0.26 0.00 0.00 34.13 34.25 1qf7 s GLU 496 CO -0.01 -0.12 0.95 0.50 -0.54 0.00 0.00 175.26 176.04 1qf7 s ARG 497 N 0.99 4.81 0.09 4.30 6.06 -1.26 -5.00 118.95 128.95 1qf7 s ARG 497 Ca -0.06 1.50 -0.31 0.00 -2.50 0.00 0.00 55.73 54.36 1qf7 s ARG 497 Cb -0.05 -3.30 -0.08 0.00 0.06 0.00 0.00 34.95 31.58 1qf7 s ARG 497 CO -0.09 0.43 1.44 0.45 -2.50 0.00 0.00 175.30 175.04 1qf7 s SER 498 N -0.89 6.78 0.49 -2.12 0.15 -1.26 -4.88 113.70 111.97 1qf7 s SER 498 Ca 0.43 2.33 0.22 0.00 0.70 0.00 0.00 55.95 59.63 1qf7 s SER 498 Cb -0.26 -2.58 1.27 0.00 -1.71 0.00 0.00 66.02 62.74 1qf7 s SER 498 CO 0.32 -0.71 1.95 -0.65 1.20 0.00 0.00 173.24 175.34 1qf7 h PRO 499 N 7.20 0.17 -0.02 5.44 0.11 -2.00 0.16 132.00 143.05 1qf7 h PRO 499 Ca -0.41 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.69 1qf7 h PRO 499 Cb 1.20 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1qf7 h PRO 499 CO 0.89 0.11 0.13 0.66 -0.21 0.00 0.00 178.00 179.57 1qf7 h SER 500 N 0.17 0.00 0.25 -2.05 4.64 -2.03 -0.83 113.55 113.70 1qf7 h SER 500 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1qf7 h SER 500 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1qf7 h SER 500 CO -0.06 0.00 -0.36 0.49 -0.87 0.00 0.00 176.83 176.03 1qf7 n PHE 501 N -3.15 0.00 -1.52 4.77 3.01 0.56 -4.31 117.46 116.82 1qf7 n PHE 501 Ca -0.02 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.09 1qf7 n PHE 501 Cb 0.20 -0.13 -0.04 0.00 -0.01 0.00 0.00 39.48 39.50 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 1.39 4.44 2.76 1.37 0.00 -0.32 -4.77 105.19 110.06 1qf7 n GLY 502 Ca 0.10 -1.69 -0.17 0.00 0.00 0.00 0.00 46.02 44.26 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 0.55 -0.03 0.00 1.61 -6.30 -1.26 -5.07 118.70 108.20 1qf7 s GLU 503 Ca 0.63 0.34 0.00 0.00 -2.50 0.00 0.00 54.97 53.45 1qf7 s GLU 503 Cb 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 34.13 34.00 1qf7 s GLU 503 CO -0.08 -0.25 0.27 0.66 0.02 0.00 0.00 175.26 175.88 1qf7 n TYR 504 N 4.80 0.00 -0.01 5.30 4.01 -1.26 -4.88 117.16 125.11 1qf7 n TYR 504 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1qf7 n TYR 504 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.51 1qf7 n TYR 504 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1qf7 n TYR 505 N -0.17 0.00 -0.27 -0.72 4.01 -1.26 -4.56 117.16 114.18 1qf7 n TYR 505 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1qf7 n TYR 505 Cb 0.06 -0.11 0.10 0.00 -0.31 0.00 0.00 39.34 39.07 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 1.05 -0.19 7.72 4.64 -1.90 -1.26 113.55 123.61 1qf7 h SER 506 Ca -0.04 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.03 1qf7 h SER 506 Cb 0.67 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1qf7 h SER 506 CO 0.00 0.92 -0.26 0.45 -0.87 0.00 0.00 176.83 177.07 1qf7 h HIS 507 N 1.13 0.64 -0.64 4.77 3.86 -1.91 -0.88 115.15 122.11 1qf7 h HIS 507 Ca 0.26 -0.21 0.09 0.00 -1.16 0.00 0.00 60.37 59.36 1qf7 h HIS 507 Cb 0.18 -0.13 -0.07 0.00 1.06 0.00 0.00 27.41 28.45 1qf7 h HIS 507 CO 0.02 0.91 0.27 -1.35 0.86 0.00 0.00 177.93 178.63 1qf7 h PRO 508 N 0.18 0.46 -0.20 2.45 0.11 -1.81 0.11 132.00 133.30 1qf7 h PRO 508 Ca 0.02 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1qf7 h PRO 508 Cb 0.83 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 1qf7 h PRO 508 CO 0.06 0.30 0.12 -0.09 -0.21 0.00 0.00 178.00 178.19 1qf7 h ARG 509 N 0.47 0.27 -0.74 1.05 2.43 -0.93 -0.60 114.38 116.33 1qf7 h ARG 509 Ca 0.32 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.52 1qf7 h ARG 509 Cb 0.38 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 1qf7 h ARG 509 CO -0.29 0.22 0.49 1.25 -1.51 0.00 0.00 179.97 180.12 1qf7 h LEU 510 N 0.24 0.72 0.39 3.80 5.85 -0.26 -0.85 115.31 125.19 1qf7 h LEU 510 Ca 0.07 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1qf7 h LEU 510 Cb 0.01 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1qf7 h LEU 510 CO -0.01 0.48 -0.18 0.15 -0.34 0.00 0.00 178.44 178.53 1qf7 h PHE 511 N 0.83 -0.48 -0.53 1.25 3.57 -0.47 -2.28 116.94 118.82 1qf7 h PHE 511 Ca 0.31 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.86 1qf7 h PHE 511 Cb 0.17 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 1qf7 h PHE 511 CO -0.00 -0.21 0.23 2.35 -2.23 0.00 0.00 178.31 178.45 1qf7 h TRP 512 N -0.67 0.42 0.00 0.41 2.91 -0.56 -2.49 115.95 115.97 1qf7 h TRP 512 Ca -0.05 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.99 1qf7 h TRP 512 Cb 0.48 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.02 1qf7 h TRP 512 CO -0.01 0.17 0.00 -0.07 -1.03 0.00 0.00 178.44 177.49 1qf7 h LEU 513 N 0.44 0.00 -0.42 0.65 3.38 -1.11 -2.89 115.31 115.36 1qf7 h LEU 513 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1qf7 h LEU 513 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1qf7 h LEU 513 CO -0.22 0.00 -0.20 -1.20 0.09 0.00 0.00 178.44 176.91 1qf7 n SER 514 N -2.65 0.85 -4.83 -0.43 7.64 -0.86 -4.85 113.62 108.50 1qf7 n SER 514 Ca 0.02 -0.80 -0.34 0.00 1.01 0.00 0.00 58.87 58.77 1qf7 n SER 514 Cb 0.30 0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.49 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 -2.48 4.19 1.12 1.43 -1.52 -1.09 -4.26 119.66 117.05 1qf7 s GLN 515 Ca 0.26 0.94 -0.15 0.00 -1.95 0.00 0.00 55.36 54.45 1qf7 s GLN 515 Cb 0.20 -2.46 0.25 0.00 -0.22 0.00 0.00 33.01 30.77 1qf7 s GLN 515 CO 0.50 0.15 1.08 0.95 -0.25 0.00 0.00 175.29 177.72 1qf7 s THR 516 N -1.93 1.82 0.17 -0.19 -4.23 -1.26 -4.73 115.64 105.30 1qf7 s THR 516 Ca 0.55 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.94 1qf7 s THR 516 Cb -0.12 -2.41 0.07 0.00 1.34 0.00 0.00 72.50 71.39 1qf7 s THR 516 CO 0.17 0.00 1.71 -0.65 -0.54 0.00 0.00 174.62 175.31 1qf7 h PRO 517 N -2.34 0.91 -0.11 3.99 0.11 -1.98 -0.24 132.00 132.34 1qf7 h PRO 517 Ca -0.52 -0.18 -0.12 0.00 0.11 0.00 0.00 66.00 65.29 1qf7 h PRO 517 Cb 1.32 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1qf7 h PRO 517 CO 0.48 0.80 -0.45 0.27 -0.21 0.00 0.00 178.00 178.88 1qf7 h PHE 518 N 0.83 0.31 -0.47 0.65 -5.15 -1.97 -2.31 116.94 108.83 1qf7 h PHE 518 Ca 0.19 -0.09 -0.10 0.00 -0.20 0.00 0.00 57.97 57.78 1qf7 h PHE 518 Cb 0.25 -0.07 -0.02 0.00 0.22 0.00 0.00 35.95 36.34 1qf7 h PHE 518 CO 0.02 0.67 -0.10 0.93 -2.00 0.00 0.00 178.31 177.83 1qf7 h GLU 519 N 0.21 0.85 -0.78 6.09 5.08 -1.63 -1.34 114.58 123.07 1qf7 h GLU 519 Ca 0.01 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1qf7 h GLU 519 Cb 0.89 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 1qf7 h GLU 519 CO 0.07 0.91 0.35 1.96 -1.00 0.00 0.00 179.01 181.30 1qf7 h GLN 520 N 0.77 1.13 -0.27 2.33 4.20 -0.92 -1.34 115.11 121.01 1qf7 h GLN 520 Ca 0.13 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1qf7 h GLN 520 Cb 0.60 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1qf7 h GLN 520 CO 0.04 0.88 0.02 -0.09 -0.67 0.00 0.00 178.83 179.01 1qf7 h ARG 521 N 1.11 0.46 -0.86 1.46 2.43 -0.98 0.78 114.38 118.79 1qf7 h ARG 521 Ca 0.26 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 1qf7 h ARG 521 Cb 0.15 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 1qf7 h ARG 521 CO -0.03 0.61 0.55 0.45 -1.51 0.00 0.00 179.97 180.04 1qf7 h HIS 522 N 0.26 1.03 -0.21 2.20 3.86 -0.99 0.12 115.15 121.42 1qf7 h HIS 522 Ca 0.08 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1qf7 h HIS 522 Cb 0.39 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1qf7 h HIS 522 CO 0.03 0.58 0.11 0.82 0.86 0.00 0.00 177.93 180.33 1qf7 h ILE 523 N 1.06 1.11 -0.36 2.45 2.04 -0.77 0.26 117.51 123.30 1qf7 h ILE 523 Ca 0.35 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1qf7 h ILE 523 Cb 0.04 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1qf7 h ILE 523 CO -0.13 0.11 0.18 0.58 0.00 0.00 0.00 178.15 178.89 1qf7 h VAL 524 N 0.23 0.98 -0.21 1.67 2.07 -0.11 -1.24 116.25 119.64 1qf7 h VAL 524 Ca 0.07 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 1qf7 h VAL 524 Cb 0.08 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1qf7 h VAL 524 CO -0.01 0.07 -0.11 0.44 0.02 0.00 0.00 177.57 177.97 1qf7 h ASP 525 N 0.37 0.32 0.03 0.57 3.32 -0.54 -1.14 116.42 119.34 1qf7 h ASP 525 Ca 0.15 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1qf7 h ASP 525 Cb 0.06 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1qf7 h ASP 525 CO -0.11 0.47 -0.01 1.23 -1.72 0.00 0.00 179.24 179.10 1qf7 h GLY 526 N 0.81 -0.04 0.96 2.75 0.00 0.66 -0.77 103.07 107.44 1qf7 h GLY 526 Ca 0.06 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.42 1qf7 h GLY 526 CO 0.02 -0.01 0.36 0.74 0.00 0.00 0.00 176.54 177.65 1qf7 h PHE 527 N -0.18 0.68 -0.53 5.60 0.04 -1.17 -1.15 116.94 120.22 1qf7 h PHE 527 Ca -0.00 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1qf7 h PHE 527 Cb 0.17 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 1qf7 h PHE 527 CO -0.03 0.41 0.17 0.77 -0.60 0.00 0.00 178.31 179.04 1qf7 h SER 528 N 0.72 0.77 0.33 2.17 0.02 -1.11 -0.11 113.55 116.34 1qf7 h SER 528 Ca 0.21 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1qf7 h SER 528 Cb -0.05 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1qf7 h SER 528 CO -0.06 0.77 -0.16 0.15 -1.14 0.00 0.00 176.83 176.39 1qf7 h PHE 529 N 0.73 -0.41 -0.06 3.45 3.57 -1.01 -1.97 116.94 121.24 1qf7 h PHE 529 Ca 0.17 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.68 1qf7 h PHE 529 Cb 0.27 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1qf7 h PHE 529 CO 0.01 -0.17 -0.07 0.93 -2.23 0.00 0.00 178.31 176.78 1qf7 h GLU 530 N -0.57 -0.10 0.00 1.11 5.08 -1.13 -2.53 114.58 116.44 1qf7 h GLU 530 Ca -0.05 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1qf7 h GLU 530 Cb 0.42 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1qf7 h GLU 530 CO 0.07 -0.06 -0.13 -0.07 -1.00 0.00 0.00 179.01 177.82 1qf7 h LEU 531 N -0.10 0.00 -1.97 1.33 3.38 -1.09 -0.67 115.31 116.19 1qf7 h LEU 531 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1qf7 h LEU 531 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1qf7 h LEU 531 CO -0.12 0.13 -0.07 0.28 0.09 0.00 0.00 178.44 178.76 1qf7 h SER 532 N 0.00 0.00 -0.05 -0.43 0.02 -0.90 -1.86 113.55 110.33 1qf7 h SER 532 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1qf7 h SER 532 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1qf7 h SER 532 CO 0.02 0.07 0.00 0.29 -1.14 0.00 0.00 176.83 176.06 1qf7 n LYS 533 N -3.35 1.87 -2.91 3.45 5.02 -0.26 -4.80 118.16 117.18 1qf7 n LYS 533 Ca -0.01 -1.28 -0.41 0.00 -2.02 0.00 0.00 58.31 54.59 1qf7 n LYS 533 Cb 0.23 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.73 1qf7 n LYS 533 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qf7 s VAL 534 N -1.96 4.89 0.11 -0.18 1.01 -0.70 -4.57 120.40 118.99 1qf7 s VAL 534 Ca 0.35 1.58 -0.12 0.00 0.00 0.00 0.00 61.98 63.79 1qf7 s VAL 534 Cb 0.20 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 1qf7 s VAL 534 CO 0.32 0.02 1.37 0.58 0.00 0.00 0.00 175.10 177.39 1qf7 h VAL 535 N 5.23 1.28 -3.58 2.92 2.07 -1.87 -3.42 116.25 118.88 1qf7 h VAL 535 Ca -0.29 -1.77 -0.57 0.00 0.82 0.00 0.00 66.70 64.89 1qf7 h VAL 535 Cb 1.13 1.73 -0.07 0.00 -1.52 0.00 0.00 31.29 32.55 1qf7 h VAL 535 CO 0.84 0.57 0.84 -0.13 0.02 0.00 0.00 177.57 179.71 1qf7 s ARG 536 N -4.04 3.81 0.44 1.57 0.52 -1.26 -4.94 118.95 115.05 1qf7 s ARG 536 Ca -0.11 0.66 0.12 0.00 -0.52 0.00 0.00 55.73 55.88 1qf7 s ARG 536 Cb 0.09 -3.85 0.97 0.00 0.52 0.00 0.00 34.95 32.68 1qf7 s ARG 536 CO 0.89 -1.20 2.02 -1.35 0.02 0.00 0.00 175.30 175.68 1qf7 h PRO 537 N 8.84 0.17 -0.52 3.54 0.11 -1.99 -2.35 132.00 139.79 1qf7 h PRO 537 Ca -0.22 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 1qf7 h PRO 537 Cb 1.06 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1qf7 h PRO 537 CO 1.08 0.23 0.27 0.10 -0.21 0.00 0.00 178.00 179.47 1qf7 h TYR 538 N 0.16 0.70 -0.34 0.65 -0.00 -1.97 -1.51 116.97 114.68 1qf7 h TYR 538 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 58.73 58.75 1qf7 h TYR 538 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 36.73 36.69 1qf7 h TYR 538 CO 0.00 0.50 0.17 0.82 -0.00 0.00 0.00 178.16 179.66 1qf7 h ILE 539 N 0.73 1.15 -0.47 -0.90 2.04 -1.83 0.12 117.51 118.34 1qf7 h ILE 539 Ca 0.19 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1qf7 h ILE 539 Cb 0.04 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1qf7 h ILE 539 CO -0.03 0.15 0.31 0.03 0.00 0.00 0.00 178.15 178.61 1qf7 h ARG 540 N 0.41 0.60 -0.64 2.37 3.08 -1.37 -0.90 114.38 117.94 1qf7 h ARG 540 Ca 0.12 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1qf7 h ARG 540 Cb 0.09 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1qf7 h ARG 540 CO -0.02 0.40 0.38 0.93 -1.07 0.00 0.00 179.97 180.59 1qf7 h GLU 541 N 0.62 0.87 -0.21 0.04 5.08 -1.11 -1.07 114.58 118.80 1qf7 h GLU 541 Ca 0.18 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1qf7 h GLU 541 Cb -0.05 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1qf7 h GLU 541 CO -0.05 0.63 -0.07 0.00 -1.00 0.00 0.00 179.01 178.53 1qf7 h ARG 542 N 0.87 0.33 -0.20 2.33 3.08 -0.41 -1.03 114.38 119.34 1qf7 h ARG 542 Ca 0.23 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.15 1qf7 h ARG 542 Cb -0.01 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1qf7 h ARG 542 CO -0.04 0.41 -0.13 0.28 -1.07 0.00 0.00 179.97 179.42 1qf7 h VAL 543 N 0.31 1.32 -0.71 2.04 2.07 -0.62 -2.77 116.25 117.89 1qf7 h VAL 543 Ca 0.07 -1.23 0.10 0.00 0.82 0.00 0.00 66.70 66.46 1qf7 h VAL 543 Cb 0.32 1.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 1qf7 h VAL 543 CO 0.01 0.37 0.34 0.58 0.02 0.00 0.00 177.57 178.90 1qf7 h VAL 544 N 0.14 0.82 -0.62 2.57 2.07 -0.85 -0.10 116.25 120.28 1qf7 h VAL 544 Ca 0.04 -0.19 0.10 0.00 0.82 0.00 0.00 66.70 67.46 1qf7 h VAL 544 Cb 0.64 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 1qf7 h VAL 544 CO 0.04 0.10 0.24 -0.78 0.02 0.00 0.00 177.57 177.19 1qf7 h ASP 545 N 0.57 0.24 -0.62 0.57 3.58 -1.11 -1.19 116.42 118.46 1qf7 h ASP 545 Ca 0.35 0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.84 1qf7 h ASP 545 Cb 0.40 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 1qf7 h ASP 545 CO -0.29 0.14 0.23 1.56 -2.88 0.00 0.00 179.24 178.01 1qf7 h GLN 546 N 0.42 0.93 -0.66 0.28 1.08 -0.88 -1.97 115.11 114.32 1qf7 h GLN 546 Ca 0.31 -0.18 0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1qf7 h GLN 546 Cb 0.39 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.64 1qf7 h GLN 546 CO -0.31 0.80 0.43 -0.07 -0.95 0.00 0.00 178.83 178.74 1qf7 h LEU 547 N 0.87 0.75 -2.63 1.46 3.38 -0.29 -1.13 115.31 117.71 1qf7 h LEU 547 Ca 0.20 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1qf7 h LEU 547 Cb 0.23 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1qf7 h LEU 547 CO -0.01 0.54 -0.01 0.00 0.09 0.00 0.00 178.44 179.05 1qf7 h ALA 548 N 1.59 1.07 -0.01 1.53 0.00 -0.45 0.24 119.26 123.23 1qf7 h ALA 548 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1qf7 h ALA 548 Cb -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1qf7 h ALA 548 CO -0.05 0.01 -0.02 0.72 0.00 0.00 0.00 179.25 179.91 1qf7 n HIS 549 N -3.19 0.00 -0.07 0.00 8.25 -0.43 -4.24 115.22 115.54 1qf7 n HIS 549 Ca -0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.35 1qf7 n HIS 549 Cb 0.12 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 1qf7 n HIS 549 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1qf7 n ILE 550 N -0.29 1.43 -3.65 1.59 5.41 0.71 -4.21 119.36 120.35 1qf7 n ILE 550 Ca 0.20 0.15 -0.10 0.00 1.00 0.00 0.00 62.75 64.00 1qf7 n ILE 550 Cb 0.28 -2.17 -0.08 0.00 -0.71 0.00 0.00 39.64 36.96 1qf7 n ILE 550 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1qf7 s ASP 551 N -6.02 -0.82 0.24 4.38 2.15 -0.50 -4.62 116.67 111.47 1qf7 s ASP 551 Ca -0.24 1.40 0.11 0.00 0.43 0.00 0.00 52.55 54.25 1qf7 s ASP 551 Cb 0.04 1.33 0.19 0.00 -0.30 0.00 0.00 42.92 44.17 1qf7 s ASP 551 CO 0.35 -0.23 1.50 0.25 -0.17 0.00 0.00 175.17 176.87 1qf7 h LEU 552 N 6.29 0.00 -0.23 -1.34 7.12 -1.80 -1.95 115.31 123.39 1qf7 h LEU 552 Ca -0.30 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 57.60 1qf7 h LEU 552 Cb 1.20 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.33 1qf7 h LEU 552 CO 0.14 0.71 -0.27 0.74 -0.13 0.00 0.00 178.44 179.63 1qf7 h THR 553 N 0.00 1.32 -0.27 1.05 2.02 -1.97 0.01 112.91 115.07 1qf7 h THR 553 Ca -0.01 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.71 1qf7 h THR 553 Cb 1.32 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 69.43 1qf7 h THR 553 CO 0.09 0.45 0.11 0.25 0.37 0.00 0.00 175.52 176.80 1qf7 h LEU 554 N 0.30 0.36 -0.26 2.58 5.85 -1.91 -2.21 115.31 120.02 1qf7 h LEU 554 Ca 0.03 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1qf7 h LEU 554 Cb 0.84 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1qf7 h LEU 554 CO 0.07 0.42 0.11 0.00 -0.34 0.00 0.00 178.44 178.70 1qf7 h ALA 555 N 0.96 0.31 -0.50 1.25 0.00 -1.29 -2.02 119.26 117.97 1qf7 h ALA 555 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1qf7 h ALA 555 Cb 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1qf7 h ALA 555 CO -0.01 -0.29 0.28 1.96 0.00 0.00 0.00 179.25 181.19 1qf7 h GLN 556 N 0.25 0.70 -0.34 0.00 4.20 -0.99 0.55 115.11 119.47 1qf7 h GLN 556 Ca 0.11 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 1qf7 h GLN 556 Cb 0.05 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1qf7 h GLN 556 CO -0.09 0.54 -0.28 0.00 -0.67 0.00 0.00 178.83 178.33 1qf7 h ALA 557 N 1.12 0.88 -0.11 3.87 0.00 -1.24 -0.39 119.26 123.39 1qf7 h ALA 557 Ca 0.18 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1qf7 h ALA 557 Cb 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1qf7 h ALA 557 CO -0.03 0.63 -0.05 0.28 0.00 0.00 0.00 179.25 180.08 1qf7 h VAL 558 N 0.60 1.32 -0.73 0.00 2.07 -1.21 -2.56 116.25 115.74 1qf7 h VAL 558 Ca 0.08 -1.07 0.12 0.00 0.82 0.00 0.00 66.70 66.64 1qf7 h VAL 558 Cb 0.78 1.81 -0.08 0.00 -1.52 0.00 0.00 31.29 32.27 1qf7 h VAL 558 CO 0.06 0.31 0.32 0.00 0.02 0.00 0.00 177.57 178.28 1qf7 h ALA 559 N 0.64 1.02 -0.48 1.67 0.00 -0.74 -1.03 119.26 120.35 1qf7 h ALA 559 Ca 0.02 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1qf7 h ALA 559 Cb 0.51 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1qf7 h ALA 559 CO 0.02 -0.14 -0.03 -0.22 0.00 0.00 0.00 179.25 178.88 1qf7 h LYS 560 N 0.51 0.81 0.00 0.00 3.64 -0.99 0.11 116.57 120.64 1qf7 h LYS 560 Ca 0.39 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1qf7 h LYS 560 Cb 0.52 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1qf7 h LYS 560 CO -0.34 0.83 0.00 -0.91 -2.27 0.00 0.00 179.45 176.75 1qf7 h ASN 561 N 0.75 0.00 -0.12 4.20 2.35 -0.78 -2.43 115.58 119.54 1qf7 h ASN 561 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1qf7 h ASN 561 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1qf7 h ASN 561 CO 0.02 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.98 1qf7 n LEU 562 N -2.77 3.04 -2.11 1.61 4.32 -0.65 -4.94 117.00 115.51 1qf7 n LEU 562 Ca 0.01 -1.13 -0.16 0.00 -0.02 0.00 0.00 56.01 54.70 1qf7 n LEU 562 Cb 0.24 -0.06 0.02 0.00 -1.62 0.00 0.00 43.42 42.00 1qf7 n LEU 562 CO 0.23 0.55 -0.07 0.61 -1.22 0.00 0.00 177.39 177.50 1qf7 n GLY 563 N 1.33 -0.23 3.60 -0.72 0.00 -0.54 -5.02 105.19 103.62 1qf7 n GLY 563 Ca 0.15 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.93 3.63 -0.17 -0.61 1.01 0.28 -5.02 121.20 117.40 1qf7 s ILE 564 Ca 0.15 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 1qf7 s ILE 564 Cb -0.07 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 1qf7 s ILE 564 CO 0.18 0.34 -0.07 -1.61 0.00 0.00 0.00 174.94 173.79 1qf7 s GLU 565 N -1.58 3.49 0.33 2.79 0.41 -1.26 -3.95 118.70 118.93 1qf7 s GLU 565 Ca 0.18 -0.60 -0.27 0.00 -0.41 0.00 0.00 54.97 53.87 1qf7 s GLU 565 Cb -0.11 -2.87 -0.09 0.00 -1.78 0.00 0.00 34.13 29.28 1qf7 s GLU 565 CO 0.09 0.09 1.09 -0.51 -0.49 0.00 0.00 175.26 175.53 1qf7 s LEU 566 N 0.73 4.38 0.78 1.80 1.02 -1.26 -5.03 118.68 121.10 1qf7 s LEU 566 Ca -0.03 2.20 -0.10 0.00 0.02 0.00 0.00 54.13 56.22 1qf7 s LEU 566 Cb -0.15 -3.85 0.08 0.00 0.02 0.00 0.00 46.19 42.30 1qf7 s LEU 566 CO 0.02 -0.31 1.12 0.42 0.02 0.00 0.00 176.35 177.63 1qf7 s THR 567 N -1.35 2.11 0.17 5.49 -4.23 -1.26 -4.86 115.64 111.70 1qf7 s THR 567 Ca 0.50 -0.11 -0.26 0.00 -1.18 0.00 0.00 61.69 60.64 1qf7 s THR 567 Cb -0.29 -2.99 0.03 0.00 1.34 0.00 0.00 72.50 70.59 1qf7 s THR 567 CO 0.36 0.00 1.57 -2.24 -0.54 0.00 0.00 174.62 173.77 1qf7 h ASP 568 N -0.91 -1.52 -0.70 3.99 3.04 -1.99 -0.40 116.42 117.93 1qf7 h ASP 568 Ca -0.45 0.25 0.05 0.00 -3.24 0.00 0.00 57.03 53.63 1qf7 h ASP 568 Cb 1.32 0.69 -0.05 0.00 -1.04 0.00 0.00 39.33 40.24 1qf7 h ASP 568 CO 0.61 -0.34 0.41 0.44 -2.04 0.00 0.00 179.24 178.33 1qf7 h ASP 569 N -0.23 0.65 0.01 4.15 3.32 -1.98 -2.57 116.42 119.77 1qf7 h ASP 569 Ca 0.17 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 1qf7 h ASP 569 Cb 0.56 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1qf7 h ASP 569 CO -0.69 0.43 -0.26 1.56 -1.72 0.00 0.00 179.24 178.57 1qf7 h GLN 570 N 0.78 0.39 0.00 3.56 4.20 -1.65 -2.01 115.11 120.38 1qf7 h GLN 570 Ca 0.30 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1qf7 h GLN 570 Cb 0.11 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1qf7 h GLN 570 CO -0.15 0.63 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.48 1qf7 h LEU 571 N 0.35 0.00 -1.78 1.46 4.07 -0.77 -2.59 115.31 116.05 1qf7 h LEU 571 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1qf7 h LEU 571 Cb 0.64 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.38 1qf7 h LEU 571 CO 0.05 0.09 0.00 0.59 -1.08 0.00 0.00 178.44 178.08 1qf7 n ASN 572 N -3.29 2.72 -4.69 -0.43 3.02 -0.78 -4.94 115.26 106.86 1qf7 n ASN 572 Ca -0.00 -1.88 -0.42 0.00 -0.03 0.00 0.00 54.58 52.24 1qf7 n ASN 572 Cb 0.30 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.36 1qf7 n ASN 572 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1qf7 n ILE 573 N 1.07 0.36 -2.19 2.41 5.41 -0.98 -4.93 119.36 120.51 1qf7 n ILE 573 Ca 0.17 -0.07 -0.42 0.00 1.00 0.00 0.00 62.75 63.43 1qf7 n ILE 573 Cb 0.53 -2.12 -0.03 0.00 -0.71 0.00 0.00 39.64 37.31 1qf7 n ILE 573 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1qf7 s THR 574 N 2.73 3.45 0.80 1.39 2.01 -1.26 -4.97 115.64 119.79 1qf7 s THR 574 Ca 0.82 0.99 -0.14 0.00 0.31 0.00 0.00 61.69 63.68 1qf7 s THR 574 Cb -0.48 -3.64 0.08 0.00 0.01 0.00 0.00 72.50 68.47 1qf7 s THR 574 CO 0.37 0.05 1.21 -2.84 -0.69 0.00 0.00 174.62 172.73 1qf7 s PRO 575 N 1.53 1.68 0.89 4.92 0.02 -1.26 -4.97 135.00 137.80 1qf7 s PRO 575 Ca 0.64 1.78 -0.11 0.00 0.02 0.00 0.00 61.00 63.33 1qf7 s PRO 575 Cb -0.35 -1.78 0.12 0.00 0.02 0.00 0.00 34.50 32.52 1qf7 s PRO 575 CO 0.29 -2.19 1.09 -1.25 -0.33 0.00 0.00 177.00 174.61 1qf7 s PRO 576 N -4.09 1.34 0.79 5.54 0.04 -1.26 -5.02 135.00 132.35 1qf7 s PRO 576 Ca 0.74 0.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.49 1qf7 s PRO 576 Cb -0.29 -1.82 0.07 0.00 0.04 0.00 0.00 34.50 32.49 1qf7 s PRO 576 CO 0.50 -2.18 1.09 -1.25 0.04 0.00 0.00 177.00 175.19 1qf7 s PRO 577 N -4.95 2.14 0.96 0.56 0.04 -1.26 -4.93 135.00 127.55 1qf7 s PRO 577 Ca 0.63 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 1qf7 s PRO 577 Cb -0.18 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 32.63 1qf7 s PRO 577 CO 0.57 -1.67 1.09 -0.51 0.04 0.00 0.00 177.00 176.51 1qf7 s ASP 578 N -3.53 2.89 -0.42 6.66 1.01 -1.26 -4.71 116.67 117.31 1qf7 s ASP 578 Ca 0.61 1.49 -0.17 0.00 0.71 0.00 0.00 52.55 55.18 1qf7 s ASP 578 Cb -0.16 -2.16 0.02 0.00 1.01 0.00 0.00 42.92 41.63 1qf7 s ASP 578 CO 0.56 -3.01 0.44 -0.69 0.21 0.00 0.00 175.17 172.69 1qf7 s VAL 579 N -2.85 5.08 -1.67 -1.27 1.01 -1.15 -4.28 120.40 115.26 1qf7 s VAL 579 Ca 0.65 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 62.17 1qf7 s VAL 579 Cb -0.19 -4.03 0.14 0.00 0.00 0.00 0.00 36.38 32.30 1qf7 s VAL 579 CO 0.58 -0.41 0.79 0.59 0.00 0.00 0.00 175.10 176.65 1qf7 n ASN 580 N 5.62 -3.28 0.00 3.32 4.13 -1.26 -0.35 115.26 123.44 1qf7 n ASN 580 Ca -0.07 -0.99 0.00 0.00 1.68 0.00 0.00 54.58 55.20 1qf7 n ASN 580 Cb 0.48 -2.88 0.00 0.00 -1.54 0.00 0.00 39.78 35.83 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 -1.47 1.52 3.77 7.41 0.00 -1.26 -5.02 105.19 110.15 1qf7 n GLY 581 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 4.53 0.00 0.99 1.43 0.53 -4.92 118.68 121.23 1qf7 s LEU 582 Ca 0.00 1.50 0.11 0.00 -1.03 0.00 0.00 54.13 54.71 1qf7 s LEU 582 Cb 0.00 -3.19 0.15 0.00 0.03 0.00 0.00 46.19 43.19 1qf7 s LEU 582 CO 0.00 0.16 0.98 2.29 0.23 0.00 0.00 176.35 180.01 1qf7 n LYS 583 N 2.01 1.24 0.00 1.70 0.00 -1.26 -2.95 118.16 118.90 1qf7 n LYS 583 Ca -0.06 -1.43 0.00 0.00 -0.00 0.00 0.00 58.31 56.82 1qf7 n LYS 583 Cb 0.50 -1.23 0.00 0.00 -0.00 0.00 0.00 35.03 34.29 1qf7 n LYS 583 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1qf7 n LYS 584 N 0.61 0.00 -3.34 -1.58 2.85 -1.26 -4.71 118.16 110.74 1qf7 n LYS 584 Ca 0.08 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.23 1qf7 n LYS 584 Cb 0.33 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.63 1qf7 n LYS 584 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1qf7 s ASP 585 N 0.00 0.66 0.47 -5.58 -1.08 -1.26 -5.00 116.67 104.87 1qf7 s ASP 585 Ca 0.00 -0.35 0.32 0.00 -0.52 0.00 0.00 52.55 52.00 1qf7 s ASP 585 Cb 0.00 0.97 1.66 0.00 -1.46 0.00 0.00 42.92 44.08 1qf7 s ASP 585 CO 0.00 -0.35 1.97 1.55 0.52 0.00 0.00 175.17 178.86 1qf7 h PRO 586 N 8.19 0.00 0.00 4.34 0.13 -1.98 -0.78 132.00 141.91 1qf7 h PRO 586 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1qf7 h PRO 586 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1qf7 h PRO 586 CO 0.28 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.92 1qf7 n SER 587 N -2.64 0.00 0.04 1.44 3.41 -1.26 -2.43 113.62 112.18 1qf7 n SER 587 Ca -0.01 -0.15 0.11 0.00 -0.26 0.00 0.00 58.87 58.56 1qf7 n SER 587 Cb 0.09 -0.18 0.08 0.00 -0.26 0.00 0.00 64.21 63.94 1qf7 n SER 587 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qf7 n LEU 588 N -1.18 0.64 -4.84 1.04 4.77 -0.30 -4.87 117.00 112.25 1qf7 n LEU 588 Ca 0.09 0.05 -0.34 0.00 -0.03 0.00 0.00 56.01 55.79 1qf7 n LEU 588 Cb 0.10 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1qf7 n LEU 588 CO 0.11 0.02 0.37 -0.55 -1.33 0.00 0.00 177.39 176.01 1qf7 s SER 589 N -3.97 6.85 0.15 -1.43 0.15 -1.02 -4.92 113.70 109.52 1qf7 s SER 589 Ca 0.05 1.25 -0.04 0.00 0.70 0.00 0.00 55.95 57.91 1qf7 s SER 589 Cb 0.14 -2.36 -0.02 0.00 -1.71 0.00 0.00 66.02 62.08 1qf7 s SER 589 CO 0.77 -0.07 1.38 -0.07 1.20 0.00 0.00 173.24 176.45 1qf7 h LEU 590 N 2.85 0.55 -0.02 3.45 3.38 -1.89 -3.41 115.31 120.22 1qf7 h LEU 590 Ca -0.48 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1qf7 h LEU 590 Cb 1.18 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1qf7 h LEU 590 CO 0.66 1.15 0.00 -1.22 0.09 0.00 0.00 178.44 179.12 1qf7 n TYR 591 N -3.82 0.00 -0.35 1.13 4.01 -1.26 -4.74 117.16 112.13 1qf7 n TYR 591 Ca -0.05 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.76 1qf7 n TYR 591 Cb 0.75 0.00 0.24 0.00 -0.31 0.00 0.00 39.34 40.02 1qf7 n TYR 591 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qf7 h ALA 592 N 0.00 1.49 -3.15 -0.72 0.00 -1.85 -3.35 119.26 111.67 1qf7 h ALA 592 Ca 0.00 0.03 -0.68 0.00 0.00 0.00 0.00 54.91 54.26 1qf7 h ALA 592 Cb 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 17.79 17.33 1qf7 h ALA 592 CO 0.00 0.17 -0.64 0.42 0.00 0.00 0.00 179.25 179.20 1qf7 s ILE 593 N -5.96 3.63 -0.06 0.00 1.01 -1.26 -5.07 121.20 113.50 1qf7 s ILE 593 Ca -0.12 -0.96 -0.37 0.00 0.00 0.00 0.00 60.65 59.19 1qf7 s ILE 593 Cb 0.22 -2.95 -0.15 0.00 0.01 0.00 0.00 42.46 39.58 1qf7 s ILE 593 CO 0.80 -0.01 1.58 -2.65 0.00 0.00 0.00 174.94 174.66 1qf7 n PRO 594 N 4.79 1.37 -2.10 2.79 -0.02 -1.26 -4.88 135.00 135.69 1qf7 n PRO 594 Ca -0.14 0.50 -0.01 0.00 -2.02 0.00 0.00 63.50 61.83 1qf7 n PRO 594 Cb 0.46 -2.19 0.04 0.00 -0.02 0.00 0.00 33.50 31.79 1qf7 n PRO 594 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1qf7 n ASP 595 N 4.16 0.32 -4.75 2.55 5.75 -1.26 -5.12 116.55 118.20 1qf7 n ASP 595 Ca 0.22 -2.05 -0.41 0.00 -0.01 0.00 0.00 54.79 52.53 1qf7 n ASP 595 Cb 0.19 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.21 1qf7 n ASP 595 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1qf7 s GLY 596 N -2.24 2.43 -0.08 6.12 0.00 -1.25 -3.98 107.32 108.31 1qf7 s GLY 596 Ca 0.20 1.25 -0.01 0.00 0.00 0.00 0.00 44.72 46.16 1qf7 s GLY 596 CO -0.09 2.18 -0.00 -0.35 0.00 0.00 0.00 173.10 174.84 1qf7 s ASP 597 N 0.26 1.70 0.15 1.64 -1.08 -1.25 -4.97 116.67 113.12 1qf7 s ASP 597 Ca 0.57 -0.14 0.25 0.00 -0.52 0.00 0.00 52.55 52.71 1qf7 s ASP 597 Cb -0.40 -0.47 0.44 0.00 -1.46 0.00 0.00 42.92 41.03 1qf7 s ASP 597 CO 0.43 -0.20 1.42 -0.37 0.52 0.00 0.00 175.17 176.97 1qf7 h VAL 598 N 6.33 0.00 -2.47 1.11 -1.51 -1.88 -3.45 116.25 114.37 1qf7 h VAL 598 Ca -0.20 -0.52 -0.54 0.00 -1.23 0.00 0.00 66.70 64.21 1qf7 h VAL 598 Cb 1.12 1.20 0.05 0.00 -2.13 0.00 0.00 31.29 31.53 1qf7 h VAL 598 CO 0.27 0.00 1.04 1.17 -1.23 0.00 0.00 177.57 178.83 1qf7 n LYS 599 N -2.19 2.66 0.00 5.19 4.81 -1.24 -1.54 118.16 125.85 1qf7 n LYS 599 Ca 0.04 0.97 0.00 0.00 -0.87 0.00 0.00 58.31 58.44 1qf7 n LYS 599 Cb 0.44 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.66 1qf7 n LYS 599 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qf7 n GLY 600 N 4.07 1.27 3.65 3.14 0.00 -0.38 -4.98 105.19 111.96 1qf7 n GLY 600 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1qf7 n GLY 600 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qf7 s ARG 601 N -0.80 -0.03 0.02 1.61 1.81 -0.59 -4.80 118.95 116.18 1qf7 s ARG 601 Ca 0.00 0.37 0.03 0.00 -1.72 0.00 0.00 55.73 54.41 1qf7 s ARG 601 Cb 0.00 -1.70 -0.01 0.00 -0.45 0.00 0.00 34.95 32.79 1qf7 s ARG 601 CO 0.00 -3.01 -0.08 0.08 -0.68 0.00 0.00 175.30 171.61 1qf7 s VAL 602 N -2.97 0.63 -0.03 3.52 1.01 -1.26 -0.92 120.40 120.38 1qf7 s VAL 602 Ca 0.67 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 62.02 1qf7 s VAL 602 Cb -0.17 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 1qf7 s VAL 602 CO 0.57 -0.07 -0.25 -0.69 0.00 0.00 0.00 175.10 174.66 1qf7 s VAL 603 N -0.72 2.10 -0.03 2.92 1.01 0.62 -0.92 120.40 125.38 1qf7 s VAL 603 Ca -0.02 -1.08 -0.19 0.00 0.00 0.00 0.00 61.98 60.69 1qf7 s VAL 603 Cb -0.06 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1qf7 s VAL 603 CO 0.00 0.58 0.52 0.00 0.00 0.00 0.00 175.10 176.20 1qf7 s ALA 604 N -0.48 3.54 -0.25 5.51 0.00 -0.57 -0.58 121.76 128.94 1qf7 s ALA 604 Ca 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.92 1qf7 s ALA 604 Cb -0.11 -2.63 0.03 0.00 0.00 0.00 0.00 23.12 20.41 1qf7 s ALA 604 CO 0.00 0.20 -0.07 0.42 0.00 0.00 0.00 175.76 176.32 1qf7 s ILE 605 N -0.22 2.78 -0.41 0.00 1.01 0.54 -0.62 121.20 124.30 1qf7 s ILE 605 Ca 0.28 -1.09 -0.26 0.00 0.00 0.00 0.00 60.65 59.58 1qf7 s ILE 605 Cb -0.17 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 39.89 1qf7 s ILE 605 CO 0.15 0.18 0.94 -0.76 0.00 0.00 0.00 174.94 175.44 1qf7 s LEU 606 N 1.30 3.97 0.63 2.97 1.43 -0.85 -1.27 118.68 126.86 1qf7 s LEU 606 Ca -0.01 0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 53.44 1qf7 s LEU 606 Cb -0.17 -3.26 0.02 0.00 0.03 0.00 0.00 46.19 42.81 1qf7 s LEU 606 CO -0.05 -0.95 0.95 -0.76 0.23 0.00 0.00 176.35 175.77 1qf7 s LEU 607 N 3.64 3.12 0.31 1.79 1.43 -0.38 -4.27 118.68 124.31 1qf7 s LEU 607 Ca 0.38 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 54.26 1qf7 s LEU 607 Cb -0.11 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 1qf7 s LEU 607 CO 0.22 -1.19 0.11 0.54 0.23 0.00 0.00 176.35 176.26 1qf7 s ASN 608 N -4.34 1.79 0.00 2.29 2.20 -1.26 -4.82 114.94 110.79 1qf7 s ASN 608 Ca 0.55 -1.47 0.21 0.00 -0.94 0.00 0.00 52.86 51.22 1qf7 s ASN 608 Cb -0.11 0.22 1.10 0.00 -2.00 0.00 0.00 41.25 40.46 1qf7 s ASN 608 CO 0.46 -0.77 1.68 -0.90 -2.94 0.00 0.00 177.10 174.63 1qf7 n ASP 609 N -0.76 0.00 -3.04 3.54 5.68 -1.26 -3.69 116.55 117.02 1qf7 n ASP 609 Ca -0.01 -0.10 -0.15 0.00 -0.50 0.00 0.00 54.79 54.02 1qf7 n ASP 609 Cb 0.66 -0.25 0.01 0.00 -1.14 0.00 0.00 41.12 40.40 1qf7 n ASP 609 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1qf7 n GLU 610 N -1.25 0.98 -1.71 0.11 4.07 -1.26 -4.23 120.64 117.34 1qf7 n GLU 610 Ca 0.11 -2.90 -0.43 0.00 -0.06 0.00 0.00 57.16 53.88 1qf7 n GLU 610 Cb 0.16 -1.48 -0.02 0.00 -0.06 0.00 0.00 31.44 30.04 1qf7 n GLU 610 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1qf7 n VAL 611 N 0.35 0.83 -1.86 6.31 0.31 -1.24 -2.76 118.33 120.26 1qf7 n VAL 611 Ca 0.19 -0.21 -0.39 0.00 -0.01 0.00 0.00 64.34 63.92 1qf7 n VAL 611 Cb 0.67 -1.79 -0.03 0.00 -0.91 0.00 0.00 33.84 31.78 1qf7 n VAL 611 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1qf7 s ARG 612 N -0.21 2.63 0.59 5.55 3.00 -0.90 -1.29 118.95 128.33 1qf7 s ARG 612 Ca 0.67 1.09 0.40 0.00 0.00 0.00 0.00 55.73 57.89 1qf7 s ARG 612 Cb -0.56 -4.41 2.17 0.00 0.00 0.00 0.00 34.95 32.15 1qf7 s ARG 612 CO 0.46 -2.70 2.22 0.66 0.00 0.00 0.00 175.30 175.95 1qf7 h SER 613 N 15.97 0.00 0.26 0.23 4.64 -1.90 -1.87 113.55 130.88 1qf7 h SER 613 Ca -0.28 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.86 1qf7 h SER 613 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1qf7 h SER 613 CO 1.15 0.00 -0.74 0.00 -0.87 0.00 0.00 176.83 176.37 1qf7 h ALA 614 N 2.00 0.58 -0.03 5.18 0.00 -1.99 -2.09 119.26 122.92 1qf7 h ALA 614 Ca 0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1qf7 h ALA 614 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1qf7 h ALA 614 CO 0.00 0.77 -0.00 -0.44 0.00 0.00 0.00 179.25 179.57 1qf7 h ASP 615 N 0.27 0.05 -0.47 0.00 3.32 -1.67 -2.73 116.42 115.19 1qf7 h ASP 615 Ca -0.03 -0.35 0.04 0.00 0.02 0.00 0.00 57.03 56.71 1qf7 h ASP 615 Cb 1.32 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.82 1qf7 h ASP 615 CO 0.13 0.38 0.23 -0.07 -1.72 0.00 0.00 179.24 178.19 1qf7 h LEU 616 N -0.29 0.34 0.01 1.55 3.38 -1.47 0.73 115.31 119.56 1qf7 h LEU 616 Ca 0.01 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1qf7 h LEU 616 Cb 0.36 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1qf7 h LEU 616 CO 0.00 0.24 -0.04 -0.07 0.09 0.00 0.00 178.44 178.66 1qf7 h LEU 617 N 0.46 -0.12 -0.58 1.67 3.38 -1.44 0.25 115.31 118.93 1qf7 h LEU 617 Ca 0.20 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.24 1qf7 h LEU 617 Cb 0.11 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1qf7 h LEU 617 CO -0.14 -0.07 0.31 0.00 0.09 0.00 0.00 178.44 178.63 1qf7 h ALA 618 N 0.90 0.75 0.63 1.53 0.00 -1.13 -0.71 119.26 121.23 1qf7 h ALA 618 Ca 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1qf7 h ALA 618 Cb 0.10 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1qf7 h ALA 618 CO -0.04 -0.01 -0.30 0.82 0.00 0.00 0.00 179.25 179.72 1qf7 h ILE 619 N 0.60 0.38 -0.33 0.00 2.04 -0.53 -2.67 117.51 116.98 1qf7 h ILE 619 Ca 0.25 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 66.01 1qf7 h ILE 619 Cb 0.13 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1qf7 h ILE 619 CO -0.15 0.01 -0.03 -0.07 0.00 0.00 0.00 178.15 177.90 1qf7 h LEU 620 N -0.87 0.50 -0.31 1.44 3.38 -0.41 -1.68 115.31 117.35 1qf7 h LEU 620 Ca -0.09 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1qf7 h LEU 620 Cb 0.65 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1qf7 h LEU 620 CO 0.14 0.59 0.03 0.50 0.09 0.00 0.00 178.44 179.79 1qf7 h LYS 621 N 0.50 0.54 -0.29 1.13 3.64 -1.18 -1.07 116.57 119.85 1qf7 h LYS 621 Ca 0.10 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 1qf7 h LYS 621 Cb 0.37 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1qf7 h LYS 621 CO 0.01 0.65 -0.30 0.00 -2.27 0.00 0.00 179.45 177.54 1qf7 h ALA 622 N 0.86 0.94 -0.12 5.00 0.00 -1.08 -2.32 119.26 122.54 1qf7 h ALA 622 Ca 0.09 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1qf7 h ALA 622 Cb 0.39 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1qf7 h ALA 622 CO 0.01 0.61 0.02 -0.07 0.00 0.00 0.00 179.25 179.83 1qf7 h LEU 623 N 0.51 0.19 -0.85 0.00 3.38 -1.19 -3.03 115.31 114.32 1qf7 h LEU 623 Ca 0.06 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 57.87 1qf7 h LEU 623 Cb 0.78 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 1qf7 h LEU 623 CO 0.06 0.39 0.50 0.50 0.09 0.00 0.00 178.44 179.99 1qf7 h LYS 624 N -0.01 0.82 0.00 1.13 3.64 -1.14 -0.06 116.57 120.94 1qf7 h LYS 624 Ca 0.04 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1qf7 h LYS 624 Cb 0.28 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1qf7 h LYS 624 CO 0.00 0.54 -0.06 0.00 -2.27 0.00 0.00 179.45 177.67 1qf7 h ALA 625 N 1.46 1.74 -0.14 5.00 0.00 -1.29 -1.56 119.26 124.45 1qf7 h ALA 625 Ca 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1qf7 h ALA 625 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1qf7 h ALA 625 CO -0.24 0.07 0.00 1.63 0.00 0.00 0.00 179.25 180.72 1qf7 n LYS 626 N -4.23 2.32 -1.32 0.00 4.76 -0.15 -4.96 118.16 114.58 1qf7 n LYS 626 Ca -0.03 -2.02 -0.03 0.00 -2.87 0.00 0.00 58.31 53.37 1qf7 n LYS 626 Cb 0.14 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.85 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 1.37 0.50 3.76 0.72 0.00 -0.53 -3.74 105.19 107.27 1qf7 n GLY 627 Ca 0.15 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.10 5.09 0.48 1.61 1.01 -0.66 -1.24 120.40 124.57 1qf7 s VAL 628 Ca 0.00 0.98 -0.00 0.00 0.00 0.00 0.00 61.98 62.96 1qf7 s VAL 628 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1qf7 s VAL 628 CO 0.00 0.41 0.71 -1.00 0.00 0.00 0.00 175.10 175.22 1qf7 s HIS 629 N 0.02 3.18 0.07 5.22 3.76 -0.09 -4.08 115.29 123.37 1qf7 s HIS 629 Ca 0.26 0.24 0.06 0.00 -0.15 0.00 0.00 55.06 55.48 1qf7 s HIS 629 Cb -0.16 -2.41 -0.03 0.00 1.11 0.00 0.00 32.58 31.09 1qf7 s HIS 629 CO 0.12 -0.47 -0.17 0.00 -0.85 0.00 0.00 174.74 173.37 1qf7 s ALA 630 N -2.62 1.46 -0.12 -1.40 0.00 -1.26 -0.27 121.76 117.55 1qf7 s ALA 630 Ca 0.50 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 51.41 1qf7 s ALA 630 Cb -0.10 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1qf7 s ALA 630 CO 0.39 0.27 -0.15 -1.59 0.00 0.00 0.00 175.76 174.68 1qf7 s LYS 631 N -1.61 2.23 -0.38 0.00 -2.85 0.26 -4.89 119.74 112.50 1qf7 s LYS 631 Ca 0.03 -0.55 -0.21 0.00 -1.00 0.00 0.00 55.97 54.24 1qf7 s LYS 631 Cb -0.09 -1.96 0.01 0.00 -2.06 0.00 0.00 37.83 33.73 1qf7 s LYS 631 CO 0.03 -0.13 0.66 -0.51 0.10 0.00 0.00 175.35 175.50 1qf7 s LEU 632 N 1.18 4.28 0.09 2.77 1.43 -1.26 -0.34 118.68 126.83 1qf7 s LEU 632 Ca -0.02 0.08 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 1qf7 s LEU 632 Cb -0.14 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 1qf7 s LEU 632 CO -0.05 -0.66 -0.05 -0.76 0.23 0.00 0.00 176.35 175.06 1qf7 s LEU 633 N 2.81 3.24 0.00 1.79 1.02 -0.40 -0.14 118.68 126.99 1qf7 s LEU 633 Ca 0.25 -0.28 -0.03 0.00 0.02 0.00 0.00 54.13 54.09 1qf7 s LEU 633 Cb -0.14 -1.99 0.01 0.00 0.02 0.00 0.00 46.19 44.09 1qf7 s LEU 633 CO 0.16 0.18 0.34 0.00 0.02 0.00 0.00 176.35 177.06 1qf7 n TYR 634 N 0.70 -1.26 1.60 0.29 9.36 -0.90 -1.25 117.16 125.70 1qf7 n TYR 634 Ca -0.12 -1.33 0.15 0.00 3.32 0.00 0.00 57.90 59.91 1qf7 n TYR 634 Cb 0.52 0.39 0.66 0.00 -0.63 0.00 0.00 39.34 40.29 1qf7 n TYR 634 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1qf7 n SER 635 N -1.69 0.76 -3.90 2.98 3.41 -1.26 -1.90 113.62 112.03 1qf7 n SER 635 Ca -0.01 -1.07 -0.10 0.00 -0.26 0.00 0.00 58.87 57.43 1qf7 n SER 635 Cb 0.35 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 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 -2.16 1.61 0.48 4.33 1.70 -1.26 -4.91 118.95 118.74 1qf7 s ARG 636 Ca 0.38 -1.30 -0.04 0.00 -0.47 0.00 0.00 55.73 54.30 1qf7 s ARG 636 Cb 0.21 0.47 0.10 0.00 -0.57 0.00 0.00 34.95 35.17 1qf7 s ARG 636 CO 0.39 -0.67 0.65 -1.33 -1.08 0.00 0.00 175.30 173.27 1qf7 n MET 637 N -0.40 -0.17 0.00 3.89 2.81 -1.26 -4.73 117.12 117.25 1qf7 n MET 637 Ca -0.02 -1.43 0.00 0.00 -1.81 0.00 0.00 57.70 54.44 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 0.32 0.95 3.40 3.03 0.00 -1.26 -4.97 105.19 106.65 1qf7 n GLY 638 Ca 0.10 -1.30 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 1qf7 n GLY 638 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qf7 s GLU 639 N 0.00 1.20 0.19 1.61 -1.05 -1.26 -1.26 118.70 118.13 1qf7 s GLU 639 Ca 0.00 -0.96 0.06 0.00 -0.15 0.00 0.00 54.97 53.93 1qf7 s GLU 639 Cb 0.00 0.45 -0.05 0.00 -0.44 0.00 0.00 34.13 34.09 1qf7 s GLU 639 CO 0.00 -0.47 -0.12 0.14 0.95 0.00 0.00 175.26 175.75 1qf7 s VAL 640 N -3.89 1.52 -0.18 1.83 -7.23 -0.60 -4.97 120.40 106.88 1qf7 s VAL 640 Ca 0.11 -2.15 -0.03 0.00 -1.81 0.00 0.00 61.98 58.09 1qf7 s VAL 640 Cb 0.01 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 1qf7 s VAL 640 CO -0.04 -0.64 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.16 1qf7 s THR 641 N -3.11 3.45 0.98 5.32 2.01 -1.26 0.14 115.64 123.18 1qf7 s THR 641 Ca 0.21 -0.49 -0.17 0.00 0.31 0.00 0.00 61.69 61.55 1qf7 s THR 641 Cb 0.01 -2.52 0.24 0.00 0.01 0.00 0.00 72.50 70.23 1qf7 s THR 641 CO 0.05 0.47 0.92 0.00 -0.69 0.00 0.00 174.62 175.37 1qf7 n ALA 642 N 4.13 -2.62 0.29 7.40 0.00 0.27 -4.30 120.51 125.68 1qf7 n ALA 642 Ca -0.18 -1.35 0.17 0.00 0.00 0.00 0.00 53.44 52.08 1qf7 n ALA 642 Cb 0.52 -0.09 0.85 0.00 0.00 0.00 0.00 19.45 20.73 1qf7 n ALA 642 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1qf7 h ASP 643 N -2.29 0.00 -0.49 0.00 3.04 -1.42 -1.53 116.42 113.73 1qf7 h ASP 643 Ca -0.34 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 1qf7 h ASP 643 Cb 1.02 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.31 1qf7 h ASP 643 CO 0.22 0.05 0.00 -0.90 -2.04 0.00 0.00 179.24 176.57 1qf7 n ASP 644 N -3.28 4.41 0.00 4.15 5.75 -1.26 -4.92 116.55 121.39 1qf7 n ASP 644 Ca -0.01 -2.60 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 1qf7 n ASP 644 Cb 0.22 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 1qf7 n ASP 644 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qf7 n GLY 645 N 0.52 0.88 3.71 6.12 0.00 -0.57 -5.01 105.19 110.84 1qf7 n GLY 645 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.27 3.25 -0.17 2.61 2.01 -1.26 -4.70 115.64 114.11 1qf7 s THR 646 Ca 0.00 0.85 -0.22 0.00 0.31 0.00 0.00 61.69 62.63 1qf7 s THR 646 Cb 0.00 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 1qf7 s THR 646 CO 0.00 0.05 0.67 -0.69 -0.69 0.00 0.00 174.62 173.96 1qf7 s VAL 647 N 1.48 5.00 -0.33 3.82 1.01 -1.26 0.95 120.40 131.07 1qf7 s VAL 647 Ca 0.66 1.30 -0.07 0.00 0.00 0.00 0.00 61.98 63.87 1qf7 s VAL 647 Cb -0.37 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.04 1qf7 s VAL 647 CO 0.30 0.12 0.11 -0.76 0.00 0.00 0.00 175.10 174.87 1qf7 s LEU 648 N 1.77 4.22 0.09 3.92 1.43 0.12 -4.97 118.68 125.27 1qf7 s LEU 648 Ca 0.32 -0.97 -0.31 0.00 -1.03 0.00 0.00 54.13 52.14 1qf7 s LEU 648 Cb -0.16 -1.90 -0.08 0.00 0.03 0.00 0.00 46.19 44.08 1qf7 s LEU 648 CO 0.12 -0.29 1.44 -2.16 0.23 0.00 0.00 176.35 175.69 1qf7 s PRO 649 N 1.46 4.29 -0.12 1.29 0.04 -1.26 -1.56 135.00 139.14 1qf7 s PRO 649 Ca 0.00 2.12 -0.24 0.00 0.04 0.00 0.00 61.00 62.92 1qf7 s PRO 649 Cb -0.19 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 1qf7 s PRO 649 CO 0.03 -0.52 0.74 0.42 0.04 0.00 0.00 177.00 177.71 1qf7 s ILE 650 N 1.53 4.98 0.11 0.56 1.01 -0.39 -4.82 121.20 124.18 1qf7 s ILE 650 Ca 0.66 1.48 -0.05 0.00 0.00 0.00 0.00 60.65 62.74 1qf7 s ILE 650 Cb -0.37 -4.06 -0.23 0.00 0.01 0.00 0.00 42.46 37.81 1qf7 s ILE 650 CO 0.30 0.15 1.23 0.00 0.00 0.00 0.00 174.94 176.62 1qf7 h ALA 651 N 7.08 0.25 -2.47 9.38 0.00 -0.88 -3.41 119.26 129.21 1qf7 h ALA 651 Ca -0.35 -0.78 0.12 0.00 0.00 0.00 0.00 54.91 53.89 1qf7 h ALA 651 Cb 1.17 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 1qf7 h ALA 651 CO 0.78 0.87 0.43 0.00 0.00 0.00 0.00 179.25 181.34 1qf7 s ALA 652 N -3.01 -1.66 0.80 0.00 0.00 -1.23 -5.04 121.76 111.62 1qf7 s ALA 652 Ca -0.05 0.43 -0.07 0.00 0.00 0.00 0.00 51.96 52.26 1qf7 s ALA 652 Cb 0.08 0.61 0.14 0.00 0.00 0.00 0.00 23.12 23.95 1qf7 s ALA 652 CO 0.88 -0.89 1.11 0.95 0.00 0.00 0.00 175.76 177.81 1qf7 s THR 653 N -3.35 2.12 0.12 0.00 -4.23 -1.26 -2.11 115.64 106.93 1qf7 s THR 653 Ca 0.08 -0.32 -0.20 0.00 -1.18 0.00 0.00 61.69 60.07 1qf7 s THR 653 Cb -0.02 -2.80 -0.06 0.00 1.34 0.00 0.00 72.50 70.96 1qf7 s THR 653 CO -0.03 0.00 1.74 -0.26 -0.54 0.00 0.00 174.62 175.53 1qf7 h PHE 654 N -0.94 0.05 -0.13 3.99 0.04 -1.70 -1.61 116.94 116.64 1qf7 h PHE 654 Ca -0.41 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.23 1qf7 h PHE 654 Cb 1.26 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.41 1qf7 h PHE 654 CO -0.44 0.01 -0.55 0.00 -0.60 0.00 0.00 178.31 176.74 1qf7 h ALA 655 N 1.13 0.82 0.00 2.45 0.00 -1.91 -3.29 119.26 118.46 1qf7 h ALA 655 Ca 0.08 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1qf7 h ALA 655 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1qf7 h ALA 655 CO -0.11 0.69 -0.56 0.78 0.00 0.00 0.00 179.25 180.06 1qf7 h GLY 656 N 1.25 0.00 -6.74 0.00 0.00 -1.84 -3.36 103.07 92.39 1qf7 h GLY 656 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.73 1qf7 h GLY 656 CO 0.09 0.00 -0.76 0.00 0.00 0.00 0.00 176.54 175.87 1qf7 n ALA 657 N -2.36 3.17 -0.57 3.60 0.00 -0.64 -4.89 120.51 118.82 1qf7 n ALA 657 Ca -0.01 -3.87 -0.30 0.00 0.00 0.00 0.00 53.44 49.27 1qf7 n ALA 657 Cb 0.61 -0.90 0.22 0.00 0.00 0.00 0.00 19.45 19.38 1qf7 n ALA 657 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qf7 n PRO 658 N 2.35 -1.58 0.28 0.00 -0.04 -1.24 -4.84 135.00 129.93 1qf7 n PRO 658 Ca 0.25 -0.41 0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1qf7 n PRO 658 Cb 0.41 -2.25 0.79 0.00 -0.04 0.00 0.00 33.50 32.41 1qf7 n PRO 658 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qf7 h SER 659 N -2.34 0.00 -0.95 3.54 4.64 -1.85 -1.52 113.55 115.07 1qf7 h SER 659 Ca -0.53 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.00 1qf7 h SER 659 Cb 1.31 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.32 1qf7 h SER 659 CO 0.45 0.05 0.62 -0.07 -0.87 0.00 0.00 176.83 177.01 1qf7 h LEU 660 N 0.00 0.47 -0.12 5.97 3.38 -1.94 -0.58 115.31 122.48 1qf7 h LEU 660 Ca -0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1qf7 h LEU 660 Cb 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1qf7 h LEU 660 CO 0.01 0.17 -0.01 0.35 0.09 0.00 0.00 178.44 179.04 1qf7 n THR 661 N -4.57 0.00 -4.50 0.22 -2.24 -0.57 -4.91 114.28 97.72 1qf7 n THR 661 Ca 0.21 -0.03 -0.24 0.00 -2.27 0.00 0.00 64.05 61.72 1qf7 n THR 661 Cb 0.72 -0.36 -0.11 0.00 -2.10 0.00 0.00 70.33 68.49 1qf7 n THR 661 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1qf7 s VAL 662 N -2.17 1.71 -0.44 2.28 -7.23 -0.23 -4.95 120.40 109.37 1qf7 s VAL 662 Ca 0.41 -2.08 0.22 0.00 -1.81 0.00 0.00 61.98 58.72 1qf7 s VAL 662 Cb 0.21 -2.70 -0.28 0.00 0.56 0.00 0.00 36.38 34.17 1qf7 s VAL 662 CO 0.40 -0.14 0.68 0.47 -0.31 0.00 0.00 175.10 176.20 1qf7 n ASP 663 N -0.74 0.43 -3.49 4.85 8.00 -0.10 -5.00 116.55 120.51 1qf7 n ASP 663 Ca -0.04 -0.39 -0.10 0.00 0.71 0.00 0.00 54.79 54.96 1qf7 n ASP 663 Cb 0.65 1.52 -0.02 0.00 -0.02 0.00 0.00 41.12 43.25 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 -3.30 -1.76 -0.07 2.24 0.00 -1.23 -4.26 121.76 113.39 1qf7 s ALA 664 Ca -0.01 0.92 0.03 0.00 0.00 0.00 0.00 51.96 52.90 1qf7 s ALA 664 Cb 0.15 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.72 1qf7 s ALA 664 CO 0.89 -0.67 -0.16 0.08 0.00 0.00 0.00 175.76 175.90 1qf7 s VAL 665 N -3.04 1.41 -0.07 0.00 1.01 -0.92 -1.50 120.40 117.28 1qf7 s VAL 665 Ca 0.02 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1qf7 s VAL 665 Cb -0.01 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.13 1qf7 s VAL 665 CO -0.08 0.41 -0.20 -0.63 0.00 0.00 0.00 175.10 174.60 1qf7 s ILE 666 N 0.40 1.73 -0.28 2.22 1.01 0.21 -0.71 121.20 125.78 1qf7 s ILE 666 Ca -0.12 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.70 1qf7 s ILE 666 Cb -0.15 -1.50 0.06 0.00 0.01 0.00 0.00 42.46 40.88 1qf7 s ILE 666 CO 0.04 0.49 -0.06 -0.69 0.00 0.00 0.00 174.94 174.72 1qf7 s VAL 667 N 0.27 2.34 0.83 2.92 1.01 0.19 -2.00 120.40 125.95 1qf7 s VAL 667 Ca -0.12 -1.70 -0.12 0.00 0.00 0.00 0.00 61.98 60.03 1qf7 s VAL 667 Cb -0.16 -2.42 0.09 0.00 0.00 0.00 0.00 36.38 33.89 1qf7 s VAL 667 CO 0.06 -0.13 1.14 -2.16 0.00 0.00 0.00 175.10 174.01 1qf7 s PRO 668 N 1.10 1.82 0.88 2.72 0.04 -1.26 -1.12 135.00 139.18 1qf7 s PRO 668 Ca -0.05 0.29 -0.14 0.00 0.04 0.00 0.00 61.00 61.14 1qf7 s PRO 668 Cb -0.20 -1.92 0.20 0.00 0.04 0.00 0.00 34.50 32.62 1qf7 s PRO 668 CO -0.05 -1.73 1.20 0.00 0.04 0.00 0.00 177.00 176.46 1qf7 n GLY 670 N -2.98 0.44 3.41 0.00 0.00 -1.26 -2.11 105.19 102.69 1qf7 n GLY 670 Ca 0.15 -1.20 -0.45 0.00 0.00 0.00 0.00 46.02 44.53 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 7.00 0.61 1.61 2.47 -1.11 -4.84 114.94 116.68 1qf7 s ASN 671 Ca 0.00 -2.90 0.35 0.00 0.42 0.00 0.00 52.86 50.73 1qf7 s ASN 671 Cb 0.00 -2.33 1.96 0.00 -1.45 0.00 0.00 41.25 39.43 1qf7 s ASN 671 CO 0.00 -0.68 2.25 0.40 -3.72 0.00 0.00 177.10 175.35 1qf7 h ILE 672 N 4.69 0.31 0.00 -5.21 1.08 -1.92 -1.86 117.51 114.60 1qf7 h ILE 672 Ca 0.22 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.57 1qf7 h ILE 672 Cb 0.93 1.09 -0.00 0.00 -3.07 0.00 0.00 36.82 35.77 1qf7 h ILE 672 CO 1.10 0.02 -0.01 0.00 -0.69 0.00 0.00 178.15 178.56 1qf7 h ALA 673 N 1.98 1.90 -0.90 1.87 0.00 -1.97 0.35 119.26 122.49 1qf7 h ALA 673 Ca -0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1qf7 h ALA 673 Cb 0.09 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1qf7 h ALA 673 CO 0.00 0.02 0.57 0.22 0.00 0.00 0.00 179.25 180.06 1qf7 h ASP 674 N 0.00 0.93 -0.00 0.00 3.58 -1.75 -3.29 116.42 115.89 1qf7 h ASP 674 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1qf7 h ASP 674 Cb 0.03 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.88 1qf7 h ASP 674 CO 0.00 0.62 -0.05 2.30 -2.88 0.00 0.00 179.24 179.23 1qf7 n ILE 675 N -4.55 0.00 0.20 2.25 -5.35 -0.57 -4.67 119.36 106.67 1qf7 n ILE 675 Ca 0.12 -0.48 0.13 0.00 -0.27 0.00 0.00 62.75 62.25 1qf7 n ILE 675 Cb 0.14 1.07 0.70 0.00 -1.74 0.00 0.00 39.64 39.80 1qf7 n ILE 675 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qf7 h ALA 676 N 0.80 2.06 -0.37 -1.28 0.00 -0.41 -0.39 119.26 119.67 1qf7 h ALA 676 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qf7 h ALA 676 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1qf7 h ALA 676 CO 0.00 -0.19 0.00 -0.25 0.00 0.00 0.00 179.25 178.81 1qf7 n ASP 677 N -4.36 3.01 -4.66 0.00 8.00 -1.26 -4.92 116.55 112.37 1qf7 n ASP 677 Ca 0.01 -1.92 -0.43 0.00 0.71 0.00 0.00 54.79 53.16 1qf7 n ASP 677 Cb 0.24 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.05 6.91 0.18 -2.24 3.84 -0.16 -4.93 114.94 117.50 1qf7 s ASN 678 Ca 0.28 1.62 -0.13 0.00 0.21 0.00 0.00 52.86 54.84 1qf7 s ASN 678 Cb 0.15 -2.54 0.12 0.00 -0.55 0.00 0.00 41.25 38.44 1qf7 s ASN 678 CO 0.20 -0.81 1.82 1.23 -2.79 0.00 0.00 177.10 176.76 1qf7 h GLY 679 N 9.89 0.80 1.04 1.21 0.00 -1.92 -2.27 103.07 111.82 1qf7 h GLY 679 Ca -0.26 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1qf7 h GLY 679 CO 0.98 0.22 0.38 -0.55 0.00 0.00 0.00 176.54 177.56 1qf7 h ASP 680 N 0.67 1.09 -0.26 0.19 3.32 -1.96 0.73 116.42 120.21 1qf7 h ASP 680 Ca 0.23 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1qf7 h ASP 680 Cb 0.02 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1qf7 h ASP 680 CO -0.10 0.93 0.07 0.00 -1.72 0.00 0.00 179.24 178.42 1qf7 h ALA 681 N 1.20 0.34 -0.31 3.45 0.00 -1.76 0.09 119.26 122.27 1qf7 h ALA 681 Ca 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1qf7 h ALA 681 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1qf7 h ALA 681 CO -0.03 -0.01 0.16 -0.91 0.00 0.00 0.00 179.25 178.46 1qf7 h ASN 682 N 0.25 0.40 -0.60 0.00 2.35 -1.29 -3.20 115.58 113.49 1qf7 h ASN 682 Ca 0.08 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1qf7 h ASN 682 Cb 0.27 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 1qf7 h ASN 682 CO 0.00 0.40 0.32 0.22 -1.65 0.00 0.00 177.43 176.72 1qf7 h TYR 683 N 0.38 0.83 -0.91 1.19 3.20 -0.71 -1.90 116.97 119.04 1qf7 h TYR 683 Ca 0.11 -0.02 0.25 0.00 3.14 0.00 0.00 58.73 62.20 1qf7 h TYR 683 Cb 0.09 -0.26 -0.14 0.00 1.54 0.00 0.00 36.73 37.96 1qf7 h TYR 683 CO -0.02 0.60 0.36 -0.92 -1.64 0.00 0.00 178.16 176.54 1qf7 h TYR 684 N 0.81 0.58 0.06 -3.82 5.03 -0.97 0.94 116.97 119.61 1qf7 h TYR 684 Ca 0.21 0.04 -0.28 0.00 2.58 0.00 0.00 58.73 61.28 1qf7 h TYR 684 Cb 0.05 -0.11 0.02 0.00 1.55 0.00 0.00 36.73 38.25 1qf7 h TYR 684 CO -0.01 -0.14 -1.14 -0.07 -1.32 0.00 0.00 178.16 175.47 1qf7 h LEU 685 N 0.30 0.85 -0.87 2.82 3.38 -1.47 -2.30 115.31 118.02 1qf7 h LEU 685 Ca 0.59 -0.74 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1qf7 h LEU 685 Cb 1.21 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1qf7 h LEU 685 CO -0.60 1.54 0.29 0.24 0.09 0.00 0.00 178.44 180.01 1qf7 h MET 686 N 0.32 1.12 0.12 1.13 2.86 -0.13 0.18 114.93 120.54 1qf7 h MET 686 Ca -0.16 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 1qf7 h MET 686 Cb 1.81 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.28 1qf7 h MET 686 CO 0.22 0.91 -0.06 1.49 1.06 0.00 0.00 176.91 180.53 1qf7 h GLU 687 N 1.09 -0.16 -0.93 1.72 4.81 -1.03 -1.04 114.58 119.04 1qf7 h GLU 687 Ca 0.25 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.56 1qf7 h GLU 687 Cb 0.21 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 1qf7 h GLU 687 CO -0.02 0.15 0.58 0.00 -0.73 0.00 0.00 179.01 179.00 1qf7 h ALA 688 N 0.34 1.29 0.27 2.92 0.00 -1.35 -1.88 119.26 120.86 1qf7 h ALA 688 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1qf7 h ALA 688 Cb 0.39 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1qf7 h ALA 688 CO 0.03 0.34 -0.13 -0.92 0.00 0.00 0.00 179.25 178.57 1qf7 h TYR 689 N 1.05 -0.33 -0.83 0.00 3.20 -0.90 -1.10 116.97 118.06 1qf7 h TYR 689 Ca 0.41 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.43 1qf7 h TYR 689 Cb 0.20 0.11 -0.10 0.00 1.54 0.00 0.00 36.73 38.48 1qf7 h TYR 689 CO -0.02 -0.08 0.39 -0.22 -1.64 0.00 0.00 178.16 176.60 1qf7 h LYS 690 N -0.55 0.52 -0.57 1.82 3.64 -0.79 -1.35 116.57 119.30 1qf7 h LYS 690 Ca -0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1qf7 h LYS 690 Cb 0.40 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1qf7 h LYS 690 CO 0.06 0.35 0.00 0.72 -2.27 0.00 0.00 179.45 178.31 1qf7 n HIS 691 N -4.93 0.22 -1.69 1.91 8.25 -0.74 -4.93 115.22 113.30 1qf7 n HIS 691 Ca 0.17 -0.09 -0.17 0.00 -0.26 0.00 0.00 57.72 57.38 1qf7 n HIS 691 Cb 0.46 -0.09 -0.06 0.00 1.12 0.00 0.00 29.99 31.43 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 -0.04 -1.37 -4.82 2.41 4.77 -0.51 -4.91 117.00 112.53 1qf7 n LEU 692 Ca 0.04 0.31 -0.36 0.00 -0.03 0.00 0.00 56.01 55.97 1qf7 n LEU 692 Cb 0.25 -2.44 -0.06 0.00 -2.33 0.00 0.00 43.42 38.84 1qf7 n LEU 692 CO 0.04 -0.71 0.38 -0.54 -1.33 0.00 0.00 177.39 175.22 1qf7 s LYS 693 N -3.78 4.21 0.35 3.23 1.02 -0.43 -0.89 119.74 123.44 1qf7 s LYS 693 Ca 0.00 0.81 -0.28 0.00 0.02 0.00 0.00 55.97 56.51 1qf7 s LYS 693 Cb 0.00 -2.91 -0.12 0.00 -0.52 0.00 0.00 37.83 34.28 1qf7 s LYS 693 CO 0.00 0.42 1.42 -2.30 -0.92 0.00 0.00 175.35 173.97 1qf7 n PRO 694 N 0.79 2.43 -4.70 -1.68 -0.02 -1.26 -4.62 135.00 125.94 1qf7 n PRO 694 Ca -0.03 0.85 -0.23 0.00 -2.02 0.00 0.00 63.50 62.07 1qf7 n PRO 694 Cb 0.51 -2.53 -0.15 0.00 -0.02 0.00 0.00 33.50 31.31 1qf7 n PRO 694 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1qf7 s ILE 695 N -0.93 1.19 -0.06 4.25 1.01 -1.11 -2.16 121.20 123.39 1qf7 s ILE 695 Ca 0.56 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.58 1qf7 s ILE 695 Cb -0.52 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 40.97 1qf7 s ILE 695 CO 0.61 0.34 -0.06 0.00 0.00 0.00 0.00 174.94 175.83 1qf7 s ALA 696 N -0.29 0.87 -0.22 9.38 0.00 0.11 -0.71 121.76 130.90 1qf7 s ALA 696 Ca 0.04 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 51.82 1qf7 s ALA 696 Cb -0.06 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.54 1qf7 s ALA 696 CO -0.00 -0.09 -0.14 -0.51 0.00 0.00 0.00 175.76 175.02 1qf7 s LEU 697 N 1.09 2.76 -0.11 0.00 1.43 0.14 -0.64 118.68 123.34 1qf7 s LEU 697 Ca -0.08 -0.90 -0.06 0.00 -1.03 0.00 0.00 54.13 52.06 1qf7 s LEU 697 Cb -0.14 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 1qf7 s LEU 697 CO -0.01 -0.08 0.12 0.00 0.23 0.00 0.00 176.35 176.61 1qf7 s ALA 698 N 1.25 3.80 0.00 4.21 0.00 -0.27 -3.01 121.76 127.74 1qf7 s ALA 698 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1qf7 s ALA 698 Cb -0.16 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.07 1qf7 s ALA 698 CO -0.09 0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.71 1qf7 n GLY 699 N 1.95 3.36 0.00 0.00 0.00 0.22 -0.80 105.19 109.91 1qf7 n GLY 699 Ca -0.19 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1qf7 n GLY 699 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qf7 n ASP 700 N 5.37 0.00 0.29 1.61 8.00 -1.26 -2.42 116.55 128.14 1qf7 n ASP 700 Ca 0.00 -0.23 0.17 0.00 0.71 0.00 0.00 54.79 55.45 1qf7 n ASP 700 Cb 0.00 -0.15 0.87 0.00 -0.02 0.00 0.00 41.12 41.82 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 2.92 1.10 0.00 2.24 0.00 -1.24 -1.49 119.26 122.79 1qf7 h ALA 701 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1qf7 h ALA 701 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1qf7 h ALA 701 CO 0.00 0.06 0.09 0.00 0.00 0.00 0.00 179.25 179.39 1qf7 h ARG 702 N 0.00 0.00 -0.29 0.00 3.08 -1.65 0.21 114.38 115.73 1qf7 h ARG 702 Ca -0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1qf7 h ARG 702 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1qf7 h ARG 702 CO 0.01 0.00 0.23 0.87 -1.07 0.00 0.00 179.97 180.01 1qf7 h LYS 703 N 0.00 0.00 0.00 0.04 6.56 -1.52 -1.22 116.57 120.43 1qf7 h LYS 703 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1qf7 h LYS 703 Cb 0.17 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 1qf7 h LYS 703 CO 0.00 0.00 0.00 1.19 -2.06 0.00 0.00 179.45 178.58 1qf7 n PHE 704 N -4.22 0.00 0.28 -1.35 3.72 0.75 -2.81 117.46 113.82 1qf7 n PHE 704 Ca 0.04 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.57 1qf7 n PHE 704 Cb 0.39 -0.37 0.79 0.00 -0.94 0.00 0.00 39.48 39.35 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 0.00 -1.08 1.57 -1.42 -1.11 116.57 114.54 1qf7 h LYS 705 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1qf7 h LYS 705 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1qf7 h LYS 705 CO 0.00 0.05 -0.61 0.00 -0.57 0.00 0.00 179.45 178.33 1qf7 h ALA 706 N 1.95 0.77 -0.20 3.86 0.00 -1.74 -0.54 119.26 123.35 1qf7 h ALA 706 Ca -0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 1qf7 h ALA 706 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1qf7 h ALA 706 CO 0.01 0.76 -0.40 1.79 0.00 0.00 0.00 179.25 181.41 1qf7 h THR 707 N 0.00 1.30 -0.75 0.00 1.35 -1.41 -2.25 112.91 111.15 1qf7 h THR 707 Ca -0.01 -1.55 -0.31 0.00 -0.55 0.00 0.00 66.41 64.00 1qf7 h THR 707 Cb 1.25 1.58 -0.18 0.00 -1.73 0.00 0.00 68.15 69.07 1qf7 h THR 707 CO 0.08 0.48 0.39 2.30 -0.25 0.00 0.00 175.52 178.52 1qf7 n ILE 708 N -4.03 2.77 -4.19 6.82 -5.35 -1.16 -4.94 119.36 109.28 1qf7 n ILE 708 Ca -0.02 -1.53 -0.29 0.00 -0.27 0.00 0.00 62.75 60.64 1qf7 n ILE 708 Cb 0.50 -0.46 -0.07 0.00 -1.74 0.00 0.00 39.64 37.87 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 -0.45 -1.85 -3.67 6.28 4.01 -0.85 -4.92 118.16 116.71 1qf7 n LYS 709 Ca 0.43 0.21 -0.37 0.00 -0.51 0.00 0.00 58.31 58.08 1qf7 n LYS 709 Cb 1.39 -4.00 -0.07 0.00 -0.51 0.00 0.00 35.03 31.84 1qf7 n LYS 709 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1qf7 s ILE 710 N -4.17 5.32 0.56 -0.18 1.01 -0.25 -5.04 121.20 118.46 1qf7 s ILE 710 Ca 0.04 0.46 -0.20 0.00 0.00 0.00 0.00 60.65 60.95 1qf7 s ILE 710 Cb -0.03 -3.55 -0.06 0.00 0.01 0.00 0.00 42.46 38.83 1qf7 s ILE 710 CO 0.96 0.52 0.99 0.00 0.00 0.00 0.00 174.94 177.41 1qf7 n ALA 711 N 2.61 0.27 -0.37 9.38 0.00 -1.26 -4.82 120.51 126.32 1qf7 n ALA 711 Ca -0.16 0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.40 1qf7 n ALA 711 Cb 0.53 -2.12 0.23 0.00 0.00 0.00 0.00 19.45 18.09 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 0.76 0.96 0.52 0.00 3.32 -1.98 0.52 116.42 120.51 1qf7 h ASP 712 Ca -0.48 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1qf7 h ASP 712 Cb 1.35 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1qf7 h ASP 712 CO 0.52 0.53 0.00 0.00 -1.72 0.00 0.00 179.24 178.57 1qf7 n GLN 713 N -4.59 0.33 0.00 3.56 10.64 -1.26 -5.03 117.38 121.03 1qf7 n GLN 713 Ca 0.18 0.04 0.00 0.00 -1.83 0.00 0.00 57.00 55.40 1qf7 n GLN 713 Cb 0.32 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.20 1qf7 n GLN 713 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1qf7 n GLY 714 N 0.92 1.22 3.41 2.61 0.00 0.18 -5.08 105.19 108.44 1qf7 n GLY 714 Ca 0.12 -2.03 -0.15 0.00 0.00 0.00 0.00 46.02 43.96 1qf7 n GLY 714 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qf7 s GLU 715 N -1.84 0.82 0.19 1.61 -1.05 -1.26 -4.54 118.70 112.63 1qf7 s GLU 715 Ca 0.00 0.23 -0.33 0.00 -0.15 0.00 0.00 54.97 54.73 1qf7 s GLU 715 Cb 0.00 0.38 -0.14 0.00 -0.44 0.00 0.00 34.13 33.94 1qf7 s GLU 715 CO 0.00 -0.22 1.52 0.39 0.95 0.00 0.00 175.26 177.90 1qf7 n GLU 716 N 1.51 2.13 0.00 -4.83 -0.58 -1.26 -1.77 120.64 115.83 1qf7 n GLU 716 Ca -0.18 0.76 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 1qf7 n GLU 716 Cb 0.56 -2.49 0.00 0.00 -0.57 0.00 0.00 31.44 28.94 1qf7 n GLU 716 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qf7 n GLY 717 N 2.92 2.65 3.21 0.62 0.00 -1.26 -4.88 105.19 108.45 1qf7 n GLY 717 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.62 2.94 -0.12 -0.61 -1.09 -0.73 -2.77 121.20 116.20 1qf7 s ILE 718 Ca 0.00 -1.01 -0.17 0.00 -2.23 0.00 0.00 60.65 57.24 1qf7 s ILE 718 Cb 0.00 -2.50 -0.04 0.00 -1.58 0.00 0.00 42.46 38.34 1qf7 s ILE 718 CO 0.00 0.19 0.44 -0.69 -1.23 0.00 0.00 174.94 173.64 1qf7 s VAL 719 N 1.33 5.20 -0.05 2.92 1.01 0.11 -4.61 120.40 126.32 1qf7 s VAL 719 Ca 0.00 0.87 -0.10 0.00 0.00 0.00 0.00 61.98 62.75 1qf7 s VAL 719 Cb -0.17 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.45 1qf7 s VAL 719 CO -0.04 0.35 0.24 -1.83 0.00 0.00 0.00 175.10 173.82 1qf7 s GLU 720 N 0.53 0.45 0.10 2.72 -1.05 -1.26 0.26 118.70 120.44 1qf7 s GLU 720 Ca 0.24 -0.01 -0.26 0.00 -0.15 0.00 0.00 54.97 54.79 1qf7 s GLU 720 Cb -0.15 0.20 0.09 0.00 -0.44 0.00 0.00 34.13 33.83 1qf7 s GLU 720 CO 0.09 -0.10 1.11 0.00 0.95 0.00 0.00 175.26 177.31 1qf7 s ALA 721 N -0.70 -1.88 0.25 -0.84 0.00 -1.16 -5.00 121.76 112.43 1qf7 s ALA 721 Ca -0.08 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.02 1qf7 s ALA 721 Cb -0.04 0.63 0.31 0.00 0.00 0.00 0.00 23.12 24.02 1qf7 s ALA 721 CO 0.02 -1.07 1.65 -0.44 0.00 0.00 0.00 175.76 175.92 1qf7 h ASP 722 N 2.00 0.50 -5.32 0.00 3.32 -1.91 0.65 116.42 115.66 1qf7 h ASP 722 Ca -0.27 -0.20 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 1qf7 h ASP 722 Cb 1.21 -0.14 -0.14 0.00 0.22 0.00 0.00 39.33 40.49 1qf7 h ASP 722 CO 0.30 0.82 -0.46 -0.94 -1.72 0.00 0.00 179.24 177.24 1qf7 s SER 723 N -6.84 0.16 -1.33 6.45 1.04 -1.26 -2.76 113.70 109.16 1qf7 s SER 723 Ca -0.07 -1.00 -0.07 0.00 0.48 0.00 0.00 55.95 55.30 1qf7 s SER 723 Cb 0.13 0.37 0.12 0.00 0.10 0.00 0.00 66.02 66.74 1qf7 s SER 723 CO 0.80 -0.81 2.27 0.00 0.98 0.00 0.00 173.24 176.48 1qf7 n ALA 724 N -0.15 6.41 -1.00 5.32 0.00 -1.26 -4.83 120.51 125.00 1qf7 n ALA 724 Ca -0.07 -4.12 0.00 0.00 0.00 0.00 0.00 53.44 49.25 1qf7 n ALA 724 Cb 0.63 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.20 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 2.53 0.00 0.00 0.00 5.68 -1.26 -4.35 116.55 119.15 1qf7 n ASP 725 Ca 0.56 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 54.85 1qf7 n ASP 725 Cb 0.28 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.26 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 -0.01 1.76 6.12 0.00 -1.99 -3.40 103.07 105.55 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 -0.18 1.48 0.00 0.00 0.00 176.54 177.83 1qf7 h SER 727 N -0.03 0.00 -0.37 0.19 4.64 -1.96 -3.30 113.55 112.73 1qf7 h SER 727 Ca -0.00 -0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1qf7 h SER 727 Cb 0.01 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 1qf7 h SER 727 CO 0.00 0.03 0.21 0.15 -0.87 0.00 0.00 176.83 176.35 1qf7 h PHE 728 N 0.00 0.38 -0.36 4.77 3.04 -1.90 -1.68 116.94 121.20 1qf7 h PHE 728 Ca 0.00 0.01 -0.13 0.00 3.98 0.00 0.00 57.97 61.83 1qf7 h PHE 728 Cb 0.77 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 1qf7 h PHE 728 CO 0.00 0.22 -0.31 0.52 -2.02 0.00 0.00 178.31 176.72 1qf7 h MET 729 N 0.42 0.78 -0.71 1.11 2.86 -1.76 -1.83 114.93 115.80 1qf7 h MET 729 Ca 0.15 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 57.39 1qf7 h MET 729 Cb 0.02 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1qf7 h MET 729 CO -0.08 0.98 0.31 -0.44 1.06 0.00 0.00 176.91 178.75 1qf7 h ASP 730 N 0.66 0.95 -0.63 1.22 3.32 -1.64 0.10 116.42 120.40 1qf7 h ASP 730 Ca 0.07 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 1qf7 h ASP 730 Cb 0.85 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 1qf7 h ASP 730 CO 0.07 0.84 0.03 -0.33 -1.72 0.00 0.00 179.24 178.13 1qf7 h GLU 731 N 1.00 1.09 -0.10 3.56 5.08 -1.10 -0.12 114.58 123.99 1qf7 h GLU 731 Ca 0.24 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1qf7 h GLU 731 Cb 0.16 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1qf7 h GLU 731 CO -0.03 1.05 0.01 1.25 -1.00 0.00 0.00 179.01 180.29 1qf7 h LEU 732 N 1.00 0.16 -1.71 1.33 7.12 -0.57 -2.04 115.31 120.60 1qf7 h LEU 732 Ca 0.18 -0.28 -0.03 0.00 0.13 0.00 0.00 57.88 57.89 1qf7 h LEU 732 Cb 0.53 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.61 1qf7 h LEU 732 CO 0.03 0.40 -0.09 -0.07 -0.13 0.00 0.00 178.44 178.58 1qf7 h LEU 733 N -0.08 0.06 -0.21 2.25 3.38 -0.80 -0.16 115.31 119.75 1qf7 h LEU 733 Ca 0.03 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1qf7 h LEU 733 Cb 0.31 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1qf7 h LEU 733 CO 0.00 0.16 -0.12 0.74 0.09 0.00 0.00 178.44 179.32 1qf7 h THR 734 N 0.06 1.31 -0.90 0.22 2.02 -0.87 -1.76 112.91 113.00 1qf7 h THR 734 Ca 0.01 -1.21 0.03 0.00 0.77 0.00 0.00 66.41 66.02 1qf7 h THR 734 Cb 0.21 1.65 -0.05 0.00 -1.74 0.00 0.00 68.15 68.22 1qf7 h THR 734 CO 0.01 0.37 0.59 -0.07 0.37 0.00 0.00 175.52 176.79 1qf7 h LEU 735 N 0.14 0.98 -1.17 2.58 3.38 -0.51 -2.24 115.31 118.47 1qf7 h LEU 735 Ca 0.04 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1qf7 h LEU 735 Cb 0.62 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1qf7 h LEU 735 CO 0.03 0.68 -0.16 0.24 0.09 0.00 0.00 178.44 179.33 1qf7 h MET 736 N 1.15 0.39 0.00 1.13 2.86 -0.71 -1.57 114.93 118.17 1qf7 h MET 736 Ca 0.36 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.85 1qf7 h MET 736 Cb -0.02 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 1qf7 h MET 736 CO -0.11 0.54 -0.17 0.00 1.06 0.00 0.00 176.91 178.23 1qf7 h ALA 737 N 1.48 1.13 -0.34 6.32 0.00 -0.71 -0.70 119.26 126.44 1qf7 h ALA 737 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1qf7 h ALA 737 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1qf7 h ALA 737 CO 0.03 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1qf7 n ALA 738 N -2.24 2.46 0.00 0.00 0.00 -0.62 -3.91 120.51 116.21 1qf7 n ALA 738 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1qf7 n ALA 738 Cb 0.33 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1qf7 n ALA 738 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1qf7 n HIS 739 N 0.76 0.00 -4.02 0.00 -0.00 -0.27 -4.76 115.22 106.93 1qf7 n HIS 739 Ca 0.16 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.81 1qf7 n HIS 739 Cb 0.40 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.30 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 0.63 -1.13 1.57 1.81 -1.26 -4.71 118.95 115.86 1qf7 s ARG 740 Ca 0.00 -1.08 -0.07 0.00 -1.72 0.00 0.00 55.73 52.86 1qf7 s ARG 740 Cb 0.00 0.23 0.27 0.00 -0.45 0.00 0.00 34.95 35.00 1qf7 s ARG 740 CO 0.00 -0.14 1.41 0.28 -0.68 0.00 0.00 175.30 176.16 1qf7 n VAL 741 N 0.24 4.88 0.02 3.52 0.31 -0.07 -4.87 118.33 122.36 1qf7 n VAL 741 Ca -0.15 -5.47 0.20 0.00 -0.01 0.00 0.00 64.34 58.90 1qf7 n VAL 741 Cb 0.61 -2.31 0.70 0.00 -0.91 0.00 0.00 33.84 31.92 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 6.02 0.00 0.00 3.52 -0.00 -1.94 -0.05 115.95 123.51 1qf7 h TRP 742 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.12 1qf7 h TRP 742 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.88 1qf7 h TRP 742 CO 0.96 0.00 0.00 -1.13 -0.00 0.00 0.00 178.44 178.27 1qf7 n SER 743 N -4.31 0.44 0.00 -3.49 3.41 -1.26 -1.78 113.62 106.63 1qf7 n SER 743 Ca 0.09 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.47 1qf7 n SER 743 Cb 0.58 -0.72 0.50 0.00 -0.26 0.00 0.00 64.21 64.31 1qf7 n SER 743 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1qf7 n ARG 744 N -2.02 0.00 -0.26 4.33 0.63 -0.03 -4.34 116.66 114.98 1qf7 n ARG 744 Ca 0.01 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.95 1qf7 n ARG 744 Cb 0.15 -1.50 0.08 0.00 0.45 0.00 0.00 32.46 31.63 1qf7 n ARG 744 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1qf7 h ILE 745 N 0.00 0.23 0.00 5.15 2.04 -1.52 0.42 117.51 123.82 1qf7 h ILE 745 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1qf7 h ILE 745 Cb 0.50 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1qf7 h ILE 745 CO 0.00 0.00 -0.06 -0.65 0.00 0.00 0.00 178.15 177.44 1qf7 h PRO 746 N -0.02 0.00 0.00 2.37 0.11 -1.84 -2.91 132.00 129.70 1qf7 h PRO 746 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1qf7 h PRO 746 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1qf7 h PRO 746 CO -0.77 0.06 -0.67 0.87 -0.21 0.00 0.00 178.00 177.28 1qf7 h LYS 747 N 0.00 0.00 0.00 1.05 1.57 -0.44 -3.36 116.57 115.38 1qf7 h LYS 747 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qf7 h LYS 747 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1qf7 h LYS 747 CO 0.01 0.00 0.00 -0.84 -0.57 0.00 0.00 179.45 178.05 1qf7 h ILE 748 N 0.00 0.00 -1.01 1.86 3.07 -1.29 -3.33 117.51 116.82 1qf7 h ILE 748 Ca 0.00 -0.81 0.25 0.00 1.55 0.00 0.00 64.86 65.84 1qf7 h ILE 748 Cb 0.77 1.80 -0.09 0.00 -0.27 0.00 0.00 36.82 39.04 1qf7 h ILE 748 CO 0.00 0.00 0.65 -0.78 -1.05 0.00 0.00 178.15 176.97 1qf7 h ASP 749 N 0.00 0.44 1.04 2.16 3.58 -1.72 -1.62 116.42 120.30 1qf7 h ASP 749 Ca 0.00 0.07 -0.15 0.00 0.42 0.00 0.00 57.03 57.37 1qf7 h ASP 749 Cb 0.86 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 1qf7 h ASP 749 CO 0.00 0.12 -1.02 0.11 -2.88 0.00 0.00 179.24 175.57 1qf7 h LYS 750 N 0.41 0.00 -6.40 0.28 1.79 -1.86 -3.47 116.57 107.33 1qf7 h LYS 750 Ca 0.56 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 58.49 1qf7 h LYS 750 Cb 1.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.05 1qf7 h LYS 750 CO -0.26 0.45 0.79 -1.50 -1.08 0.00 0.00 179.45 177.85 1qf7 s ILE 751 N -2.91 3.73 -1.05 1.86 -1.16 -0.61 -4.95 121.20 116.11 1qf7 s ILE 751 Ca 0.00 1.14 -0.22 0.00 -0.51 0.00 0.00 60.65 61.06 1qf7 s ILE 751 Cb 0.08 -3.73 0.05 0.00 0.61 0.00 0.00 42.46 39.47 1qf7 s ILE 751 CO 0.79 0.02 1.49 -2.16 -2.81 0.00 0.00 174.94 172.26 1qf7 s PRO 752 N 2.11 3.62 0.00 3.50 0.04 -1.26 -5.06 135.00 137.95 1qf7 s PRO 752 Ca 0.63 -1.21 0.00 0.00 0.04 0.00 0.00 61.00 60.46 1qf7 s PRO 752 Cb -0.31 -5.38 0.00 0.00 0.04 0.00 0.00 34.50 28.85 1qf7 s PRO 752 CO 0.27 -2.23 0.00 0.00 0.04 0.00 0.00 177.00 175.08