#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5u n HIS 3 N 0.00 -4.21 0.19 0.00 8.25 -1.26 -4.73 115.22 113.46 1n5u n HIS 3 Ca 0.00 2.21 -0.14 0.00 -0.26 0.00 0.00 57.72 59.52 1n5u n HIS 3 Cb 0.00 -3.41 -0.07 0.00 1.12 0.00 0.00 29.99 27.63 1n5u n HIS 3 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1n5u h LYS 4 N 2.25 -0.46 -4.66 -0.41 1.79 -1.95 -3.38 116.57 109.76 1n5u h LYS 4 Ca 0.00 0.03 -0.68 0.00 -2.18 0.00 0.00 60.65 57.82 1n5u h LYS 4 Cb 0.00 0.10 -0.36 0.00 -1.58 0.00 0.00 32.23 30.39 1n5u h LYS 4 CO 0.00 -0.30 -0.67 0.45 -1.08 0.00 0.00 179.45 177.85 1n5u s SER 5 N -4.78 4.93 0.20 0.86 0.15 -1.26 -4.31 113.70 109.48 1n5u s SER 5 Ca -0.15 -1.85 -0.11 0.00 0.70 0.00 0.00 55.95 54.53 1n5u s SER 5 Cb 0.05 -1.71 0.13 0.00 -1.71 0.00 0.00 66.02 62.79 1n5u s SER 5 CO 0.64 -0.39 1.82 -0.33 1.20 0.00 0.00 173.24 176.19 1n5u h GLU 6 N 7.86 0.96 -0.77 5.44 4.39 -1.75 -0.67 114.58 130.04 1n5u h GLU 6 Ca -0.12 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 1n5u h GLU 6 Cb 1.04 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.46 1n5u h GLU 6 CO 0.58 0.70 0.45 -0.24 -1.16 0.00 0.00 179.01 179.33 1n5u h VAL 7 N 0.95 1.22 -0.39 3.13 3.04 -1.84 0.20 116.25 122.56 1n5u h VAL 7 Ca 0.25 -0.50 -0.06 0.00 -1.01 0.00 0.00 66.70 65.38 1n5u h VAL 7 Cb 0.00 0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 29.42 1n5u h VAL 7 CO -0.04 0.23 0.02 0.00 -1.01 0.00 0.00 177.57 176.77 1n5u h ALA 8 N 1.43 0.53 -0.48 3.17 0.00 -1.71 -0.83 119.26 121.37 1n5u h ALA 8 Ca 0.27 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1n5u h ALA 8 Cb -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1n5u h ALA 8 CO -0.05 0.29 0.29 1.25 0.00 0.00 0.00 179.25 181.03 1n5u h HIS 9 N 0.51 0.63 -0.62 0.00 6.17 -0.10 -0.56 115.15 121.18 1n5u h HIS 9 Ca 0.11 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.15 1n5u h HIS 9 Cb 0.44 -0.21 -0.03 0.00 2.52 0.00 0.00 27.41 30.14 1n5u h HIS 9 CO 0.03 0.43 0.19 0.00 0.71 0.00 0.00 177.93 179.30 1n5u h ARG 10 N 0.64 0.94 -0.27 5.26 2.47 -0.46 -1.52 114.38 121.45 1n5u h ARG 10 Ca 0.17 -0.18 -0.06 0.00 -1.26 0.00 0.00 59.98 58.65 1n5u h ARG 10 Cb -0.02 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.15 1n5u h ARG 10 CO -0.03 0.81 -0.05 0.35 0.56 0.00 0.00 179.97 181.61 1n5u h PHE 11 N 0.91 0.57 -0.78 3.04 3.57 -0.76 -0.25 116.94 123.23 1n5u h PHE 11 Ca 0.20 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1n5u h PHE 11 Cb 0.27 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1n5u h PHE 11 CO 0.02 0.71 0.43 0.87 -2.23 0.00 0.00 178.31 178.11 1n5u h LYS 12 N 0.27 1.09 0.03 1.11 1.57 -0.90 0.16 116.57 119.90 1n5u h LYS 12 Ca 0.07 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1n5u h LYS 12 Cb 0.52 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.62 1n5u h LYS 12 CO 0.02 0.80 -0.45 0.22 -0.57 0.00 0.00 179.45 179.48 1n5u h ASP 13 N 1.08 0.35 0.27 0.86 1.82 -1.21 -3.35 116.42 116.24 1n5u h ASP 13 Ca 0.28 -0.83 -0.16 0.00 -0.39 0.00 0.00 57.03 55.92 1n5u h ASP 13 Cb 0.03 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 39.92 1n5u h ASP 13 CO -0.04 1.14 -0.65 -0.07 -1.61 0.00 0.00 179.24 178.01 1n5u h LEU 14 N -0.40 0.41 0.00 2.28 3.38 -1.05 -3.46 115.31 116.48 1n5u h LEU 14 Ca -0.06 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1n5u h LEU 14 Cb 1.23 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1n5u h LEU 14 CO 0.09 0.95 0.00 0.61 0.09 0.00 0.00 178.44 180.18 1n5u n GLY 15 N 0.39 0.49 0.17 0.83 0.00 0.04 -4.37 105.19 102.75 1n5u n GLY 15 Ca -0.03 -1.56 -0.04 0.00 0.00 0.00 0.00 46.02 44.39 1n5u n GLY 15 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n5u h GLU 16 N 0.00 0.05 -0.60 1.61 4.81 -1.94 -0.83 114.58 117.67 1n5u h GLU 16 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1n5u h GLU 16 Cb 0.00 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1n5u h GLU 16 CO 0.00 0.03 0.38 0.93 -0.73 0.00 0.00 179.01 179.62 1n5u h GLU 17 N 0.05 0.81 -0.22 1.92 4.39 -1.96 -0.52 114.58 119.04 1n5u h GLU 17 Ca 0.20 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.66 1n5u h GLU 17 Cb 0.30 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1n5u h GLU 17 CO -0.39 0.56 -0.57 -0.91 -1.16 0.00 0.00 179.01 176.55 1n5u h ASN 18 N 0.82 0.79 -0.18 1.42 2.35 -1.72 -2.43 115.58 116.63 1n5u h ASN 18 Ca 0.22 -0.43 0.03 0.00 -0.55 0.00 0.00 56.30 55.56 1n5u h ASN 18 Cb -0.05 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1n5u h ASN 18 CO -0.04 1.19 0.02 0.15 -1.65 0.00 0.00 177.43 177.10 1n5u h PHE 19 N 0.53 0.03 -0.73 1.19 3.57 -0.83 -0.45 116.94 120.27 1n5u h PHE 19 Ca 0.01 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1n5u h PHE 19 Cb 1.15 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.87 1n5u h PHE 19 CO 0.06 0.00 0.35 0.87 -2.23 0.00 0.00 178.31 177.37 1n5u h LYS 20 N 0.09 1.03 -0.35 1.11 1.57 -1.05 -0.53 116.57 118.44 1n5u h LYS 20 Ca 0.08 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 1n5u h LYS 20 Cb 0.09 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1n5u h LYS 20 CO -0.12 0.79 -0.32 0.00 -0.57 0.00 0.00 179.45 179.23 1n5u h ALA 21 N 1.36 0.51 -0.26 3.86 0.00 -1.09 -1.94 119.26 121.70 1n5u h ALA 21 Ca 0.25 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1n5u h ALA 21 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1n5u h ALA 21 CO -0.03 0.56 -0.28 -0.07 0.00 0.00 0.00 179.25 179.43 1n5u h LEU 22 N 0.62 0.52 -0.52 0.00 3.38 -0.78 -1.34 115.31 117.20 1n5u h LEU 22 Ca 0.06 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 1n5u h LEU 22 Cb 0.90 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1n5u h LEU 22 CO 0.08 0.78 -0.31 0.58 0.09 0.00 0.00 178.44 179.67 1n5u h VAL 23 N 0.45 1.27 -0.22 1.22 2.07 -1.05 -0.12 116.25 119.87 1n5u h VAL 23 Ca 0.06 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1n5u h VAL 23 Cb 0.71 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1n5u h VAL 23 CO 0.05 0.49 0.14 0.25 0.02 0.00 0.00 177.57 178.53 1n5u h LEU 24 N 0.74 0.25 -0.21 2.57 5.85 -1.00 -0.73 115.31 122.77 1n5u h LEU 24 Ca 0.08 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1n5u h LEU 24 Cb 0.87 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1n5u h LEU 24 CO 0.08 0.18 0.11 0.40 -0.34 0.00 0.00 178.44 178.86 1n5u h ILE 25 N 0.30 1.13 -0.25 4.05 2.04 -1.10 -0.12 117.51 123.56 1n5u h ILE 25 Ca 0.08 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.63 1n5u h ILE 25 Cb -0.03 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 1n5u h ILE 25 CO -0.02 0.12 -0.11 0.00 0.00 0.00 0.00 178.15 178.14 1n5u h ALA 26 N 0.98 0.09 -0.55 1.87 0.00 -0.78 0.46 119.26 121.34 1n5u h ALA 26 Ca 0.07 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1n5u h ALA 26 Cb 0.10 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1n5u h ALA 26 CO -0.01 -0.52 0.12 0.74 0.00 0.00 0.00 179.25 179.58 1n5u h PHE 27 N -0.08 0.94 0.00 0.00 0.04 -1.02 -2.78 116.94 114.04 1n5u h PHE 27 Ca 0.13 -0.12 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1n5u h PHE 27 Cb 0.27 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1n5u h PHE 27 CO -0.29 0.82 -0.18 0.00 -0.60 0.00 0.00 178.31 178.05 1n5u h ALA 28 N 1.01 1.65 0.00 2.45 0.00 -0.46 0.50 119.26 124.41 1n5u h ALA 28 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n5u h ALA 28 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1n5u h ALA 28 CO 0.00 0.23 0.00 1.04 0.00 0.00 0.00 179.25 180.52 1n5u n GLN 29 N -4.25 0.24 -0.08 0.00 6.02 0.10 -2.97 117.38 116.45 1n5u n GLN 29 Ca -0.02 0.31 -0.16 0.00 -0.01 0.00 0.00 57.00 57.11 1n5u n GLN 29 Cb 0.25 -1.85 -0.05 0.00 1.02 0.00 0.00 30.24 29.61 1n5u n GLN 29 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1n5u n TYR 30 N -2.29 0.00 -1.62 1.08 4.01 -0.70 -4.62 117.16 113.03 1n5u n TYR 30 Ca 0.04 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.47 1n5u n TYR 30 Cb 0.35 -0.57 -0.05 0.00 -0.31 0.00 0.00 39.34 38.76 1n5u n TYR 30 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1n5u n LEU 31 N -3.90 7.12 0.31 7.72 4.77 0.17 -4.71 117.00 128.49 1n5u n LEU 31 Ca -0.29 -4.31 0.15 0.00 -0.03 0.00 0.00 56.01 51.52 1n5u n LEU 31 Cb 0.65 -1.33 0.76 0.00 -2.33 0.00 0.00 43.42 41.18 1n5u n LEU 31 CO 0.05 1.88 1.13 1.56 -1.33 0.00 0.00 177.39 180.68 1n5u h GLN 32 N 3.76 0.00 -0.00 3.23 4.20 -1.74 -1.50 115.11 123.06 1n5u h GLN 32 Ca 0.53 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.24 1n5u h GLN 32 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1n5u h GLN 32 CO 1.11 0.00 -0.87 1.04 -0.67 0.00 0.00 178.83 179.44 1n5u n GLN 33 N -2.95 0.56 -2.75 1.46 6.02 -1.26 -4.93 117.38 113.52 1n5u n GLN 33 Ca -0.01 -0.13 -0.34 0.00 -0.01 0.00 0.00 57.00 56.51 1n5u n GLN 33 Cb 0.45 -1.44 -0.06 0.00 1.02 0.00 0.00 30.24 30.21 1n5u n GLN 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n5u s PRO 35 N -3.01 2.36 0.17 0.00 0.02 -1.26 -4.88 135.00 128.40 1n5u s PRO 35 Ca 0.61 1.57 -0.15 0.00 0.02 0.00 0.00 61.00 63.05 1n5u s PRO 35 Cb -0.12 -1.88 0.13 0.00 0.02 0.00 0.00 34.50 32.65 1n5u s PRO 35 CO 0.16 -1.63 1.69 0.35 -0.33 0.00 0.00 177.00 177.25 1n5u h PHE 36 N -0.27 -0.06 -0.89 6.54 3.57 -1.99 -1.60 116.94 122.25 1n5u h PHE 36 Ca -0.47 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.17 1n5u h PHE 36 Cb 1.27 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 40.04 1n5u h PHE 36 CO 0.51 -0.11 0.57 1.05 -2.23 0.00 0.00 178.31 178.10 1n5u h GLU 37 N 0.09 0.82 -0.70 1.11 9.09 -1.99 0.05 114.58 123.04 1n5u h GLU 37 Ca 0.21 -0.05 -0.04 0.00 0.05 0.00 0.00 59.36 59.53 1n5u h GLU 37 Cb 0.31 -0.18 -0.03 0.00 -1.65 0.00 0.00 28.75 27.19 1n5u h GLU 37 CO -0.37 0.54 0.27 -0.44 0.05 0.00 0.00 179.01 179.06 1n5u h ASP 38 N 0.84 0.98 -0.40 3.06 3.45 -1.67 -1.58 116.42 121.10 1n5u h ASP 38 Ca 0.42 -0.18 -0.13 0.00 0.43 0.00 0.00 57.03 57.57 1n5u h ASP 38 Cb 0.46 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 1n5u h ASP 38 CO -0.18 0.89 -0.24 0.45 -1.57 0.00 0.00 179.24 178.59 1n5u h HIS 39 N 1.01 1.05 -0.63 4.55 3.86 -0.77 -1.38 115.15 122.83 1n5u h HIS 39 Ca 0.23 -0.26 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1n5u h HIS 39 Cb 0.22 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.42 1n5u h HIS 39 CO 0.02 1.05 0.39 0.28 0.86 0.00 0.00 177.93 180.53 1n5u h VAL 40 N 0.78 1.18 -0.41 2.45 2.07 -0.72 0.12 116.25 121.72 1n5u h VAL 40 Ca 0.10 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1n5u h VAL 40 Cb 0.80 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1n5u h VAL 40 CO 0.07 0.18 0.19 0.50 0.02 0.00 0.00 177.57 178.52 1n5u h LYS 41 N 0.85 0.59 -0.29 1.57 3.64 -1.12 -1.05 116.57 120.76 1n5u h LYS 41 Ca 0.23 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1n5u h LYS 41 Cb -0.04 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1n5u h LYS 41 CO -0.04 0.53 0.18 -0.07 -2.27 0.00 0.00 179.45 177.78 1n5u h LEU 42 N 0.51 0.31 -0.53 5.20 3.38 -0.78 -0.90 115.31 122.51 1n5u h LEU 42 Ca 0.14 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1n5u h LEU 42 Cb 0.14 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1n5u h LEU 42 CO -0.02 0.22 0.32 0.58 0.09 0.00 0.00 178.44 179.64 1n5u h VAL 43 N 0.38 1.06 -0.74 1.22 2.07 -0.48 -0.09 116.25 119.67 1n5u h VAL 43 Ca 0.11 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1n5u h VAL 43 Cb -0.02 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1n5u h VAL 43 CO -0.04 0.12 0.24 0.78 0.02 0.00 0.00 177.57 178.68 1n5u h ASN 44 N 0.63 1.06 -0.13 0.57 -0.26 -0.94 0.23 115.58 116.75 1n5u h ASN 44 Ca 0.21 -0.19 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 1n5u h ASN 44 Cb 0.01 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 36.99 1n5u h ASN 44 CO -0.09 0.98 0.04 -0.33 -1.06 0.00 0.00 177.43 176.97 1n5u h GLU 45 N 1.09 0.20 -0.80 0.81 5.08 -0.73 0.48 114.58 120.70 1n5u h GLU 45 Ca 0.24 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1n5u h GLU 45 Cb 0.29 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1n5u h GLU 45 CO -0.01 0.33 0.39 0.28 -1.00 0.00 0.00 179.01 179.00 1n5u h VAL 46 N 0.02 1.25 -0.42 3.13 2.07 -0.73 -2.05 116.25 119.53 1n5u h VAL 46 Ca 0.04 -0.70 -0.10 0.00 0.82 0.00 0.00 66.70 66.76 1n5u h VAL 46 Cb 0.22 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1n5u h VAL 46 CO -0.00 0.30 -0.15 0.74 0.02 0.00 0.00 177.57 178.47 1n5u h THR 47 N 1.14 1.26 -0.36 2.57 2.02 -0.36 -0.03 112.91 119.15 1n5u h THR 47 Ca 0.28 -1.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.12 1n5u h THR 47 Cb 0.11 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1n5u h THR 47 CO -0.04 0.42 -0.17 -0.08 0.37 0.00 0.00 175.52 176.02 1n5u h GLU 48 N 0.70 0.67 -0.07 6.66 4.57 -0.61 -1.07 114.58 125.43 1n5u h GLU 48 Ca 0.11 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1n5u h GLU 48 Cb 0.65 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1n5u h GLU 48 CO 0.05 0.81 -0.00 0.35 -1.18 0.00 0.00 179.01 179.03 1n5u h PHE 49 N 0.60 0.14 -0.89 0.92 3.57 -1.02 -2.75 116.94 117.51 1n5u h PHE 49 Ca 0.10 -0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.73 1n5u h PHE 49 Cb 0.63 -0.04 -0.10 0.00 2.79 0.00 0.00 35.95 39.24 1n5u h PHE 49 CO 0.03 0.41 0.49 0.00 -2.23 0.00 0.00 178.31 177.01 1n5u h ALA 50 N 0.71 1.38 -0.31 2.41 0.00 -0.69 0.61 119.26 123.37 1n5u h ALA 50 Ca 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1n5u h ALA 50 Cb 0.36 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1n5u h ALA 50 CO 0.00 -0.06 0.11 0.87 0.00 0.00 0.00 179.25 180.17 1n5u h LYS 51 N 0.68 0.43 -0.29 0.00 1.57 -0.98 0.56 116.57 118.54 1n5u h LYS 51 Ca 0.49 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 59.11 1n5u h LYS 51 Cb 0.70 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1n5u h LYS 51 CO -0.36 0.38 -0.28 1.79 -0.57 0.00 0.00 179.45 180.41 1n5u h THR 52 N 0.43 1.28 -0.23 -0.16 1.35 -0.60 0.23 112.91 115.21 1n5u h THR 52 Ca 0.11 -1.36 -0.14 0.00 -0.55 0.00 0.00 66.41 64.47 1n5u h THR 52 Cb 0.12 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 1n5u h THR 52 CO -0.01 0.44 -0.44 0.00 -0.25 0.00 0.00 175.52 175.26 1n5u h VAL 54 N 0.45 1.26 -0.09 0.00 2.07 -0.58 -1.94 116.25 117.42 1n5u h VAL 54 Ca 0.03 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 1n5u h VAL 54 Cb 0.95 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1n5u h VAL 54 CO 0.08 0.32 -0.23 0.00 0.02 0.00 0.00 177.57 177.77 1n5u h ALA 55 N 0.87 1.45 -0.94 1.67 0.00 -0.67 -3.42 119.26 118.23 1n5u h ALA 55 Ca 0.10 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.85 1n5u h ALA 55 Cb 0.45 -0.07 -0.21 0.00 0.00 0.00 0.00 17.79 17.96 1n5u h ALA 55 CO 0.02 0.39 -0.26 0.34 0.00 0.00 0.00 179.25 179.74 1n5u s ASP 56 N -6.91 -1.35 0.64 0.00 3.68 0.24 -5.01 116.67 107.96 1n5u s ASP 56 Ca -0.05 0.70 0.36 0.00 2.13 0.00 0.00 52.55 55.69 1n5u s ASP 56 Cb 0.15 2.07 1.97 0.00 -1.45 0.00 0.00 42.92 45.67 1n5u s ASP 56 CO 0.73 -0.25 2.17 1.05 0.13 0.00 0.00 175.17 179.00 1n5u h GLU 57 N 7.99 0.00 -0.01 4.34 4.11 -1.61 -0.27 114.58 129.12 1n5u h GLU 57 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 1n5u h GLU 57 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1n5u h GLU 57 CO 0.21 0.00 -0.03 0.43 0.07 0.00 0.00 179.01 179.69 1n5u n SER 58 N -3.28 1.26 -4.72 3.06 7.64 -1.26 -4.33 113.62 111.99 1n5u n SER 58 Ca -0.01 -1.35 -0.36 0.00 1.01 0.00 0.00 58.87 58.16 1n5u n SER 58 Cb 0.22 0.01 0.08 0.00 -1.01 0.00 0.00 64.21 63.52 1n5u n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n5u s ALA 59 N -2.07 2.22 0.17 -0.43 0.00 -0.11 -4.86 121.76 116.67 1n5u s ALA 59 Ca 0.37 1.05 -0.34 0.00 0.00 0.00 0.00 51.96 53.05 1n5u s ALA 59 Cb 0.21 -3.52 -0.15 0.00 0.00 0.00 0.00 23.12 19.67 1n5u s ALA 59 CO 0.36 -1.77 1.40 -0.85 0.00 0.00 0.00 175.76 174.90 1n5u n GLU 60 N -2.35 1.71 -0.16 0.00 0.28 -1.26 -1.66 120.64 117.20 1n5u n GLU 60 Ca 0.15 0.61 0.00 0.00 -0.16 0.00 0.00 57.16 57.76 1n5u n GLU 60 Cb 0.49 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 31.09 1n5u n GLU 60 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1n5u n ASN 61 N 2.60 0.00 0.31 -1.84 3.02 -1.26 -4.85 115.26 113.23 1n5u n ASN 61 Ca 0.15 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.91 1n5u n ASN 61 Cb 0.27 -0.59 0.97 0.00 -0.61 0.00 0.00 39.78 39.81 1n5u n ASN 61 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n5u n ASP 63 N -3.06 1.94 -4.83 0.00 5.75 -1.26 -4.16 116.55 110.94 1n5u n ASP 63 Ca -0.01 -1.75 -0.32 0.00 -0.01 0.00 0.00 54.79 52.69 1n5u n ASP 63 Cb 0.18 -0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 1n5u n ASP 63 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1n5u s LYS 64 N -1.76 3.90 0.90 0.11 1.02 -0.85 -4.88 119.74 118.18 1n5u s LYS 64 Ca 0.33 1.04 -0.12 0.00 0.02 0.00 0.00 55.97 57.25 1n5u s LYS 64 Cb 0.18 -2.13 0.13 0.00 -0.52 0.00 0.00 37.83 35.50 1n5u s LYS 64 CO 0.27 -0.31 1.09 -1.54 -0.92 0.00 0.00 175.35 173.94 1n5u s SER 65 N -2.80 3.44 0.15 2.83 1.04 -1.26 -4.55 113.70 112.55 1n5u s SER 65 Ca 0.61 1.48 -0.13 0.00 0.48 0.00 0.00 55.95 58.39 1n5u s SER 65 Cb -0.11 -2.16 0.04 0.00 0.10 0.00 0.00 66.02 63.89 1n5u s SER 65 CO 0.28 -2.66 1.68 -0.07 0.98 0.00 0.00 173.24 173.45 1n5u h LEU 66 N -1.56 0.75 -0.60 2.42 -0.00 -1.96 -1.30 115.31 113.06 1n5u h LEU 66 Ca -0.50 -0.21 -0.02 0.00 -0.00 0.00 0.00 57.88 57.16 1n5u h LEU 66 Cb 1.29 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 41.72 1n5u h LEU 66 CO 0.55 0.76 0.29 0.45 -0.00 0.00 0.00 178.44 180.49 1n5u h HIS 67 N 0.71 0.87 0.17 1.13 3.86 -1.98 0.10 115.15 120.01 1n5u h HIS 67 Ca 0.17 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1n5u h HIS 67 Cb 0.28 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1n5u h HIS 67 CO 0.02 0.66 -0.09 1.15 0.86 0.00 0.00 177.93 180.53 1n5u h THR 68 N 0.82 0.81 -0.54 2.45 2.02 -1.87 0.53 112.91 117.14 1n5u h THR 68 Ca 0.21 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 1n5u h THR 68 Cb 0.12 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1n5u h THR 68 CO -0.03 0.00 0.31 -0.07 0.37 0.00 0.00 175.52 176.10 1n5u h LEU 69 N -0.24 0.67 -0.25 2.58 3.38 -1.06 -0.20 115.31 120.18 1n5u h LEU 69 Ca -0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1n5u h LEU 69 Cb 0.19 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1n5u h LEU 69 CO 0.03 0.56 0.07 0.15 0.09 0.00 0.00 178.44 179.34 1n5u h PHE 70 N 0.73 0.42 -0.67 1.13 3.57 -0.66 -1.71 116.94 119.74 1n5u h PHE 70 Ca 0.19 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1n5u h PHE 70 Cb 0.03 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 1n5u h PHE 70 CO -0.02 0.48 0.29 0.78 -2.23 0.00 0.00 178.31 177.61 1n5u h GLY 71 N 0.24 1.06 0.95 2.40 0.00 -0.75 -1.10 103.07 105.88 1n5u h GLY 71 Ca 0.08 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 46.86 1n5u h GLY 71 CO -0.00 0.53 0.21 -0.55 0.00 0.00 0.00 176.54 176.73 1n5u h ASP 72 N 0.94 0.35 -0.90 0.19 3.45 -0.92 -0.63 116.42 118.90 1n5u h ASP 72 Ca 0.23 -0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.67 1n5u h ASP 72 Cb 0.17 -0.08 -0.04 0.00 -0.56 0.00 0.00 39.33 38.82 1n5u h ASP 72 CO -0.02 0.26 0.52 0.50 -1.57 0.00 0.00 179.24 178.92 1n5u h LYS 73 N 0.43 1.24 -0.84 3.56 1.63 -1.01 -1.60 116.57 119.99 1n5u h LYS 73 Ca 0.13 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1n5u h LYS 73 Cb -0.02 -0.25 -0.04 0.00 -0.60 0.00 0.00 32.23 31.32 1n5u h LYS 73 CO -0.05 0.89 0.47 -0.07 -3.45 0.00 0.00 179.45 177.24 1n5u h LEU 74 N 1.25 1.04 0.00 5.20 3.38 -0.71 -2.42 115.31 123.06 1n5u h LEU 74 Ca 0.32 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1n5u h LEU 74 Cb -0.01 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1n5u h LEU 74 CO -0.06 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.31 1n5u n THR 76 N -1.45 0.00 -2.04 0.00 -2.24 -0.90 -4.84 114.28 102.80 1n5u n THR 76 Ca 0.06 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.29 1n5u n THR 76 Cb 0.21 0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 1n5u n THR 76 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1n5u s VAL 77 N -2.56 3.59 0.24 2.28 -7.23 -0.93 -4.90 120.40 110.90 1n5u s VAL 77 Ca 0.23 0.67 -0.07 0.00 -1.81 0.00 0.00 61.98 61.00 1n5u s VAL 77 Cb 0.19 -3.59 0.23 0.00 0.56 0.00 0.00 36.38 33.77 1n5u s VAL 77 CO 0.54 -0.23 1.67 0.00 -0.31 0.00 0.00 175.10 176.77 1n5u h ALA 78 N 10.92 0.82 -0.42 1.32 0.00 -1.90 -2.47 119.26 127.53 1n5u h ALA 78 Ca -0.36 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1n5u h ALA 78 Cb 1.17 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1n5u h ALA 78 CO 0.99 -0.37 0.00 0.25 0.00 0.00 0.00 179.25 180.12 1n5u n THR 79 N -5.23 1.81 -0.11 0.00 -2.24 -1.26 -4.64 114.28 102.61 1n5u n THR 79 Ca 0.13 -0.95 -0.09 0.00 -2.27 0.00 0.00 64.05 60.87 1n5u n THR 79 Cb 0.44 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 1n5u n THR 79 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1n5u h LEU 80 N 2.85 -1.18 -0.22 3.22 5.85 -1.80 0.17 115.31 124.19 1n5u h LEU 80 Ca 0.00 0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 1n5u h LEU 80 Cb 1.45 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 43.01 1n5u h LEU 80 CO 0.31 -0.34 -0.07 -0.09 -0.34 0.00 0.00 178.44 177.91 1n5u h ARG 81 N -0.29 0.44 -0.59 1.25 2.43 -1.82 0.55 114.38 116.34 1n5u h ARG 81 Ca 0.16 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1n5u h ARG 81 Cb 0.56 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1n5u h ARG 81 CO -0.53 0.69 0.39 1.49 -1.51 0.00 0.00 179.97 180.50 1n5u h GLU 82 N 0.16 0.77 0.03 0.20 4.81 -1.80 0.30 114.58 119.06 1n5u h GLU 82 Ca 0.05 -0.05 -0.38 0.00 -0.13 0.00 0.00 59.36 58.86 1n5u h GLU 82 Cb 0.54 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.69 1n5u h GLU 82 CO 0.03 0.51 -2.33 2.41 -0.73 0.00 0.00 179.01 178.90 1n5u n THR 83 N -4.45 1.57 -0.04 0.32 -1.04 0.56 -4.59 114.28 106.62 1n5u n THR 83 Ca 0.06 -0.61 0.07 0.00 -2.04 0.00 0.00 64.05 61.52 1n5u n THR 83 Cb 0.05 -1.45 0.16 0.00 -1.82 0.00 0.00 70.33 67.27 1n5u n THR 83 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1n5u n TYR 84 N -3.29 0.44 0.00 -1.42 4.01 0.19 -5.06 117.16 112.03 1n5u n TYR 84 Ca -0.41 -0.39 0.00 0.00 -0.16 0.00 0.00 57.90 56.95 1n5u n TYR 84 Cb 1.02 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 40.03 1n5u n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1n5u n GLY 85 N 0.75 3.08 0.29 2.72 0.00 0.11 -1.88 105.19 110.26 1n5u n GLY 85 Ca 0.13 0.09 0.17 0.00 0.00 0.00 0.00 46.02 46.41 1n5u n GLY 85 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1n5u h GLU 86 N 0.00 0.00 0.00 1.61 4.11 -1.92 0.66 114.58 119.04 1n5u h GLU 86 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1n5u h GLU 86 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1n5u h GLU 86 CO 0.00 0.00 -0.11 1.98 0.07 0.00 0.00 179.01 180.95 1n5u h MET 87 N 0.00 0.00 0.00 1.06 4.05 -1.72 0.20 114.93 118.52 1n5u h MET 87 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1n5u h MET 87 Cb 0.27 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1n5u h MET 87 CO 0.00 0.11 -0.05 0.00 0.23 0.00 0.00 176.91 177.20 1n5u h ALA 88 N 1.89 1.13 0.00 0.39 0.00 -1.04 -1.29 119.26 120.34 1n5u h ALA 88 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1n5u h ALA 88 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1n5u h ALA 88 CO 0.01 0.06 0.00 -0.44 0.00 0.00 0.00 179.25 178.88 1n5u h ASP 89 N 0.00 0.00 0.17 0.00 3.45 -0.73 -2.57 116.42 116.74 1n5u h ASP 89 Ca -0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 1n5u h ASP 89 Cb 0.27 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.04 1n5u h ASP 89 CO 0.01 0.00 -0.06 0.00 -1.57 0.00 0.00 179.24 177.61 1n5u n ALA 92 N -2.09 2.59 -2.72 0.00 0.00 -0.76 -4.86 120.51 112.66 1n5u n ALA 92 Ca -0.01 -0.18 -0.29 0.00 0.00 0.00 0.00 53.44 52.96 1n5u n ALA 92 Cb 0.20 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.15 1n5u n ALA 92 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1n5u s LYS 93 N -2.38 3.56 0.22 0.00 1.02 -0.68 -5.06 119.74 116.42 1n5u s LYS 93 Ca 0.34 -0.23 -0.30 0.00 0.02 0.00 0.00 55.97 55.80 1n5u s LYS 93 Cb 0.21 -2.82 -0.09 0.00 -0.52 0.00 0.00 37.83 34.60 1n5u s LYS 93 CO 0.44 0.40 1.33 -0.65 -0.92 0.00 0.00 175.35 175.94 1n5u s GLN 94 N -3.14 4.37 0.01 1.68 -1.52 -1.26 -4.50 119.66 115.31 1n5u s GLN 94 Ca 0.40 2.10 -0.03 0.00 -1.95 0.00 0.00 55.36 55.88 1n5u s GLN 94 Cb -0.11 -3.17 -0.01 0.00 -0.22 0.00 0.00 33.01 29.50 1n5u s GLN 94 CO 0.28 -0.26 0.46 -1.91 -0.25 0.00 0.00 175.29 173.60 1n5u n GLU 95 N 2.38 -0.04 -0.28 2.91 0.00 -1.26 -0.45 120.64 123.90 1n5u n GLU 95 Ca 0.06 0.45 -0.07 0.00 0.00 0.00 0.00 57.16 57.60 1n5u n GLU 95 Cb 0.42 -0.68 -0.07 0.00 0.00 0.00 0.00 31.44 31.12 1n5u n GLU 95 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1n5u n PRO 96 N -2.85 -0.29 0.18 5.31 -0.04 -1.26 0.18 135.00 136.22 1n5u n PRO 96 Ca 0.00 1.16 0.03 0.00 -0.04 0.00 0.00 63.50 64.66 1n5u n PRO 96 Cb 0.02 -1.72 0.42 0.00 -0.04 0.00 0.00 33.50 32.19 1n5u n PRO 96 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1n5u h GLU 97 N 0.00 0.07 -0.43 0.54 3.07 -1.46 -2.78 114.58 113.59 1n5u h GLU 97 Ca 0.11 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 1n5u h GLU 97 Cb 0.27 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 1n5u h GLU 97 CO -0.63 0.30 0.21 -0.09 -1.40 0.00 0.00 179.01 177.40 1n5u h ARG 98 N 0.07 0.61 -0.34 2.33 2.43 0.47 -1.01 114.38 118.94 1n5u h ARG 98 Ca 0.01 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1n5u h ARG 98 Cb 0.45 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1n5u h ARG 98 CO 0.03 0.53 0.20 -0.97 -1.51 0.00 0.00 179.97 178.25 1n5u h ASN 99 N 0.55 0.42 -0.65 -3.80 -1.24 -0.11 -0.78 115.58 109.95 1n5u h ASN 99 Ca 0.15 -0.07 0.05 0.00 0.71 0.00 0.00 56.30 57.14 1n5u h ASN 99 Cb 0.12 -0.11 -0.05 0.00 0.73 0.00 0.00 38.32 39.01 1n5u h ASN 99 CO -0.02 0.36 0.38 -0.33 -1.29 0.00 0.00 177.43 176.53 1n5u h GLU 100 N 0.44 0.69 -0.63 6.67 4.39 -1.39 0.47 114.58 125.20 1n5u h GLU 100 Ca 0.12 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1n5u h GLU 100 Cb 0.03 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 1n5u h GLU 100 CO -0.02 0.45 0.38 0.00 -1.16 0.00 0.00 179.01 178.66 1n5u h PHE 102 N 0.86 0.68 -0.64 0.00 0.05 -0.52 -2.63 116.94 114.74 1n5u h PHE 102 Ca 0.23 -0.09 0.07 0.00 3.82 0.00 0.00 57.97 62.00 1n5u h PHE 102 Cb -0.02 -0.19 -0.06 0.00 2.00 0.00 0.00 35.95 37.69 1n5u h PHE 102 CO -0.02 0.66 0.33 1.25 -0.18 0.00 0.00 178.31 180.36 1n5u h LEU 103 N 0.51 0.47 0.00 1.54 5.85 -0.46 -1.20 115.31 122.01 1n5u h LEU 103 Ca 0.12 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1n5u h LEU 103 Cb 0.33 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1n5u h LEU 103 CO 0.00 0.30 0.00 0.00 -0.34 0.00 0.00 178.44 178.40 1n5u n GLN 104 N -4.84 0.03 -0.15 1.25 6.02 0.00 -2.75 117.38 116.95 1n5u n GLN 104 Ca 0.08 0.15 0.12 0.00 -0.01 0.00 0.00 57.00 57.34 1n5u n GLN 104 Cb 0.19 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.16 1n5u n GLN 104 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1n5u n HIS 105 N -1.48 0.40 -2.17 1.08 8.25 -0.46 -4.93 115.22 115.91 1n5u n HIS 105 Ca 0.05 -0.20 -0.40 0.00 -0.26 0.00 0.00 57.72 56.91 1n5u n HIS 105 Cb 0.23 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.31 1n5u n HIS 105 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1n5u s LYS 106 N -1.60 4.33 -0.35 -0.41 1.02 -1.11 -4.98 119.74 116.64 1n5u s LYS 106 Ca 0.37 2.12 -0.10 0.00 0.02 0.00 0.00 55.97 58.38 1n5u s LYS 106 Cb 0.22 -3.03 0.02 0.00 -0.52 0.00 0.00 37.83 34.52 1n5u s LYS 106 CO 0.31 -0.17 0.19 0.34 -0.92 0.00 0.00 175.35 175.10 1n5u s ASP 107 N -0.62 5.66 0.00 2.83 -1.08 -1.26 -4.95 116.67 117.25 1n5u s ASP 107 Ca 0.50 -0.83 0.24 0.00 -0.52 0.00 0.00 52.55 51.93 1n5u s ASP 107 Cb -0.38 -2.01 1.23 0.00 -1.46 0.00 0.00 42.92 40.30 1n5u s ASP 107 CO 0.50 -0.32 1.78 -0.67 0.52 0.00 0.00 175.17 176.98 1n5u n ASP 108 N 4.99 0.00 -3.04 -0.34 2.03 -1.26 -3.81 116.55 115.11 1n5u n ASP 108 Ca -0.13 -0.16 -0.19 0.00 0.52 0.00 0.00 54.79 54.84 1n5u n ASP 108 Cb 0.47 -0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.60 1n5u n ASP 108 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1n5u n ASN 109 N -1.24 -0.84 0.00 1.67 2.85 -1.26 -4.93 115.26 111.52 1n5u n ASN 109 Ca 0.12 -2.90 0.03 0.00 -0.11 0.00 0.00 54.58 51.72 1n5u n ASN 109 Cb 0.17 0.18 0.20 0.00 1.24 0.00 0.00 39.78 41.57 1n5u n ASN 109 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1n5u n PRO 110 N 1.46 0.28 -3.96 1.20 -0.04 -1.25 -4.87 135.00 127.83 1n5u n PRO 110 Ca 0.17 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.37 1n5u n PRO 110 Cb 0.57 -1.37 -0.02 0.00 -0.04 0.00 0.00 33.50 32.64 1n5u n PRO 110 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1n5u n ASN 111 N -0.87 -0.54 -4.93 3.54 3.02 -1.26 -4.98 115.26 109.23 1n5u n ASN 111 Ca 0.05 -1.00 -0.26 0.00 -0.03 0.00 0.00 54.58 53.34 1n5u n ASN 111 Cb 0.02 -3.08 -0.02 0.00 -0.61 0.00 0.00 39.78 36.09 1n5u n ASN 111 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n5u s LEU 112 N -6.98 4.13 0.55 3.41 1.43 -1.26 -5.05 118.68 114.90 1n5u s LEU 112 Ca 0.05 0.45 -0.22 0.00 -1.03 0.00 0.00 54.13 53.39 1n5u s LEU 112 Cb -0.03 -3.26 -0.05 0.00 0.03 0.00 0.00 46.19 42.88 1n5u s LEU 112 CO 0.89 -0.16 1.35 -2.84 0.23 0.00 0.00 176.35 175.82 1n5u s PRO 113 N -3.77 3.13 0.37 1.29 0.02 -1.26 -4.93 135.00 129.84 1n5u s PRO 113 Ca 0.40 2.22 -0.26 0.00 0.02 0.00 0.00 61.00 63.37 1n5u s PRO 113 Cb -0.10 -2.25 -0.09 0.00 0.02 0.00 0.00 34.50 32.08 1n5u s PRO 113 CO 0.32 -1.19 1.15 0.50 -0.33 0.00 0.00 177.00 177.45 1n5u s ARG 114 N -2.92 4.23 0.29 5.54 3.52 -1.26 -4.97 118.95 123.38 1n5u s ARG 114 Ca 0.72 1.82 -0.29 0.00 -0.13 0.00 0.00 55.73 57.85 1n5u s ARG 114 Cb -0.40 -2.81 -0.10 0.00 -1.56 0.00 0.00 34.95 30.08 1n5u s ARG 114 CO 0.47 -0.16 1.21 -0.51 -0.81 0.00 0.00 175.30 175.50 1n5u s LEU 115 N -2.21 4.48 -0.01 -0.88 1.43 -1.26 -5.03 118.68 115.21 1n5u s LEU 115 Ca 0.53 2.46 0.08 0.00 -1.03 0.00 0.00 54.13 56.17 1n5u s LEU 115 Cb -0.31 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.26 1n5u s LEU 115 CO 0.39 -0.35 -0.24 0.68 0.23 0.00 0.00 176.35 177.06 1n5u s VAL 116 N -1.02 1.93 -0.16 -1.59 -7.23 -1.26 -5.10 120.40 105.97 1n5u s VAL 116 Ca 0.48 -1.09 -0.29 0.00 -1.81 0.00 0.00 61.98 59.26 1n5u s VAL 116 Cb -0.36 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 1n5u s VAL 116 CO 0.46 0.50 1.34 -0.60 -0.31 0.00 0.00 175.10 176.49 1n5u s ARG 117 N -0.68 4.18 1.08 4.82 3.52 -1.26 -5.01 118.95 125.58 1n5u s ARG 117 Ca 0.10 1.70 -0.15 0.00 -0.13 0.00 0.00 55.73 57.25 1n5u s ARG 117 Cb -0.09 -3.82 0.23 0.00 -1.56 0.00 0.00 34.95 29.70 1n5u s ARG 117 CO -0.00 -0.79 1.10 -2.14 -0.81 0.00 0.00 175.30 172.66 1n5u s PRO 118 N 3.70 -0.21 0.51 5.12 0.02 -1.26 -4.98 135.00 137.91 1n5u s PRO 118 Ca 0.58 0.26 -0.21 0.00 0.02 0.00 0.00 61.00 61.66 1n5u s PRO 118 Cb -0.23 -1.69 -0.06 0.00 0.02 0.00 0.00 34.50 32.54 1n5u s PRO 118 CO 0.18 -3.10 1.15 -1.21 -0.33 0.00 0.00 177.00 173.69 1n5u s GLU 119 N -5.15 3.50 0.22 5.54 0.41 -1.26 -4.79 118.70 117.17 1n5u s GLU 119 Ca 0.68 1.69 -0.08 0.00 -0.41 0.00 0.00 54.97 56.84 1n5u s GLU 119 Cb -0.15 -2.16 0.35 0.00 -1.78 0.00 0.00 34.13 30.39 1n5u s GLU 119 CO 0.57 -0.75 1.70 0.28 -0.49 0.00 0.00 175.26 176.57 1n5u h VAL 120 N 1.45 0.61 -0.78 2.63 2.07 -1.99 -0.13 116.25 120.11 1n5u h VAL 120 Ca -0.50 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 66.93 1n5u h VAL 120 Cb 1.26 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1n5u h VAL 120 CO 0.58 0.05 0.52 0.44 0.02 0.00 0.00 177.57 179.18 1n5u h ASP 121 N 0.29 0.89 -0.13 0.57 3.45 -1.99 -0.26 116.42 119.24 1n5u h ASP 121 Ca 0.35 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.77 1n5u h ASP 121 Cb 0.54 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 1n5u h ASP 121 CO -0.43 0.64 0.02 0.58 -1.57 0.00 0.00 179.24 178.49 1n5u h VAL 122 N 1.06 1.22 0.46 -1.35 2.07 -1.64 -1.56 116.25 116.50 1n5u h VAL 122 Ca 0.29 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1n5u h VAL 122 Cb -0.11 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1n5u h VAL 122 CO -0.07 0.20 -0.30 0.24 0.02 0.00 0.00 177.57 177.67 1n5u h MET 123 N -0.01 -0.70 -0.95 1.57 2.86 -0.79 -0.65 114.93 116.26 1n5u h MET 123 Ca 0.04 0.05 0.10 0.00 -2.06 0.00 0.00 59.70 57.83 1n5u h MET 123 Cb 0.30 0.16 -0.07 0.00 0.06 0.00 0.00 31.60 32.04 1n5u h MET 123 CO 0.00 -0.47 0.61 0.00 1.06 0.00 0.00 176.91 178.11 1n5u h THR 125 N 0.96 1.27 -0.43 0.00 2.02 -1.06 -0.46 112.91 115.21 1n5u h THR 125 Ca 0.45 -1.61 -0.07 0.00 0.77 0.00 0.00 66.41 65.94 1n5u h THR 125 Cb 0.42 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1n5u h THR 125 CO -0.21 0.54 -0.01 0.00 0.37 0.00 0.00 175.52 176.21 1n5u h ALA 126 N 0.76 0.58 -0.35 6.16 0.00 -0.27 -0.33 119.26 125.82 1n5u h ALA 126 Ca 0.05 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1n5u h ALA 126 Cb 1.03 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1n5u h ALA 126 CO 0.10 0.38 0.06 0.35 0.00 0.00 0.00 179.25 180.14 1n5u h PHE 127 N 0.60 0.10 -0.49 0.00 3.57 -0.35 -2.16 116.94 118.22 1n5u h PHE 127 Ca 0.12 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1n5u h PHE 127 Cb 0.50 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1n5u h PHE 127 CO 0.04 0.01 0.15 1.25 -2.23 0.00 0.00 178.31 177.53 1n5u h HIS 128 N 0.18 0.79 -0.14 0.41 2.76 -0.79 -0.12 115.15 118.24 1n5u h HIS 128 Ca 0.17 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.22 1n5u h HIS 128 Cb 0.19 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1n5u h HIS 128 CO -0.19 0.69 -0.05 -0.44 -1.30 0.00 0.00 177.93 176.64 1n5u h ASP 129 N 0.66 0.19 -0.49 3.26 3.32 -0.71 -3.40 116.42 119.25 1n5u h ASP 129 Ca 0.16 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.20 1n5u h ASP 129 Cb 0.27 -0.05 -0.17 0.00 0.22 0.00 0.00 39.33 39.60 1n5u h ASP 129 CO -0.00 0.29 -0.24 0.21 -1.72 0.00 0.00 179.24 177.77 1n5u s ASN 130 N -6.90 -0.74 0.22 6.45 3.04 -0.84 -5.03 114.94 111.13 1n5u s ASN 130 Ca -0.06 -0.57 -0.08 0.00 0.04 0.00 0.00 52.86 52.19 1n5u s ASN 130 Cb 0.16 0.95 0.27 0.00 -1.54 0.00 0.00 41.25 41.09 1n5u s ASN 130 CO 0.72 -0.06 1.81 -0.33 -3.04 0.00 0.00 177.10 176.20 1n5u h GLU 131 N 5.37 0.70 0.49 0.43 5.08 -1.22 -0.29 114.58 125.14 1n5u h GLU 131 Ca 0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1n5u h GLU 131 Cb 1.19 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1n5u h GLU 131 CO -0.03 0.46 -0.45 0.93 -1.00 0.00 0.00 179.01 178.92 1n5u h GLU 132 N 0.72 -0.89 -0.75 2.33 4.39 -1.95 -0.01 114.58 118.42 1n5u h GLU 132 Ca 0.32 0.06 -0.02 0.00 0.34 0.00 0.00 59.36 60.06 1n5u h GLU 132 Cb 0.21 0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 1n5u h GLU 132 CO -0.19 -0.59 0.38 1.15 -1.16 0.00 0.00 179.01 178.60 1n5u h THR 133 N -0.92 1.24 -0.09 1.13 2.02 -1.95 0.13 112.91 114.46 1n5u h THR 133 Ca -0.06 -0.63 0.03 0.00 0.77 0.00 0.00 66.41 66.52 1n5u h THR 133 Cb 0.79 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1n5u h THR 133 CO -0.03 0.27 -0.07 0.15 0.37 0.00 0.00 175.52 176.21 1n5u h PHE 134 N 1.05 -0.16 -0.14 3.16 3.57 -0.93 0.37 116.94 123.85 1n5u h PHE 134 Ca 0.26 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 1n5u h PHE 134 Cb 0.08 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1n5u h PHE 134 CO 0.00 -0.11 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.84 1n5u h LEU 135 N -0.08 0.31 -0.84 0.59 4.07 -0.80 -2.90 115.31 115.65 1n5u h LEU 135 Ca 0.06 -0.41 -0.08 0.00 0.08 0.00 0.00 57.88 57.53 1n5u h LEU 135 Cb 0.17 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 1n5u h LEU 135 CO -0.14 0.65 -0.00 0.11 -1.08 0.00 0.00 178.44 177.98 1n5u h LYS 136 N -0.04 0.86 -0.29 1.13 1.79 -0.64 -1.10 116.57 118.29 1n5u h LYS 136 Ca 0.03 -0.24 0.05 0.00 -2.18 0.00 0.00 60.65 58.31 1n5u h LYS 136 Cb 0.53 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 31.04 1n5u h LYS 136 CO 0.02 0.86 -0.04 -0.22 -1.08 0.00 0.00 179.45 178.99 1n5u h LYS 137 N 0.80 0.03 -0.14 3.15 1.63 -0.24 0.30 116.57 122.10 1n5u h LYS 137 Ca 0.15 -0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.83 1n5u h LYS 137 Cb 0.48 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1n5u h LYS 137 CO 0.02 0.02 -0.43 1.88 -3.45 0.00 0.00 179.45 177.50 1n5u h TYR 138 N 0.03 0.39 -0.85 1.91 -1.99 -1.30 -1.43 116.97 113.73 1n5u h TYR 138 Ca 0.14 -0.11 0.01 0.00 2.00 0.00 0.00 58.73 60.77 1n5u h TYR 138 Cb 0.20 -0.08 -0.04 0.00 2.00 0.00 0.00 36.73 38.80 1n5u h TYR 138 CO -0.25 0.70 0.57 1.25 -0.00 0.00 0.00 178.16 180.43 1n5u h LEU 139 N 0.27 0.98 -0.47 3.88 5.85 -0.42 -0.40 115.31 125.00 1n5u h LEU 139 Ca 0.02 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1n5u h LEU 139 Cb 0.87 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1n5u h LEU 139 CO 0.07 0.71 -0.03 0.22 -0.34 0.00 0.00 178.44 179.07 1n5u h TYR 140 N 1.16 0.94 -0.66 1.25 5.03 -0.61 -0.82 116.97 123.26 1n5u h TYR 140 Ca 0.31 -0.18 -0.06 0.00 2.58 0.00 0.00 58.73 61.39 1n5u h TYR 140 Cb -0.13 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 37.88 1n5u h TYR 140 CO -0.01 0.91 0.18 0.93 -1.32 0.00 0.00 178.16 178.84 1n5u h GLU 141 N 0.71 1.02 -0.02 1.82 4.39 -0.63 -1.80 114.58 120.06 1n5u h GLU 141 Ca 0.13 -0.22 -0.16 0.00 0.34 0.00 0.00 59.36 59.45 1n5u h GLU 141 Cb 0.55 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1n5u h GLU 141 CO 0.03 0.89 -0.61 0.82 -1.16 0.00 0.00 179.01 178.99 1n5u h ILE 142 N 0.98 1.40 0.04 3.13 1.08 -1.02 -3.05 117.51 120.07 1n5u h ILE 142 Ca 0.21 -2.03 0.01 0.00 -0.39 0.00 0.00 64.86 62.66 1n5u h ILE 142 Cb 0.32 2.49 -0.01 0.00 -3.07 0.00 0.00 36.82 36.55 1n5u h ILE 142 CO -0.00 0.60 -0.08 0.00 -0.69 0.00 0.00 178.15 177.97 1n5u h ALA 143 N 0.36 -0.12 0.00 1.87 0.00 -1.05 -0.35 119.26 119.97 1n5u h ALA 143 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1n5u h ALA 143 Cb 1.30 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1n5u h ALA 143 CO 0.12 -0.59 -0.00 0.07 0.00 0.00 0.00 179.25 178.85 1n5u h ARG 144 N -0.16 0.00 0.00 0.00 0.11 -1.42 -1.30 114.38 111.61 1n5u h ARG 144 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1n5u h ARG 144 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1n5u h ARG 144 CO -0.05 0.00 -0.74 0.00 0.10 0.00 0.00 179.97 179.28 1n5u h ARG 145 N 0.00 0.00 -2.08 0.08 3.08 -1.32 -3.40 114.38 110.75 1n5u h ARG 145 Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 1n5u h ARG 145 Cb 0.34 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.99 1n5u h ARG 145 CO 0.00 0.00 -0.97 0.72 -1.07 0.00 0.00 179.97 178.65 1n5u n HIS 146 N -2.26 1.17 -2.21 3.04 8.25 -0.19 -4.83 115.22 118.20 1n5u n HIS 146 Ca 0.02 -3.81 -0.39 0.00 -0.26 0.00 0.00 57.72 53.29 1n5u n HIS 146 Cb 0.47 -0.43 -0.01 0.00 1.12 0.00 0.00 29.99 31.14 1n5u n HIS 146 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1n5u s PRO 147 N -2.07 3.99 0.00 -0.41 0.04 -1.08 -1.76 135.00 133.72 1n5u s PRO 147 Ca 0.39 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1n5u s PRO 147 Cb 0.23 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1n5u s PRO 147 CO -0.09 -0.40 0.00 0.66 0.04 0.00 0.00 177.00 177.21 1n5u n TYR 148 N 0.04 0.00 -2.17 0.56 4.01 -1.26 -4.87 117.16 113.48 1n5u n TYR 148 Ca 0.04 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 1n5u n TYR 148 Cb 0.46 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.46 1n5u n TYR 148 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1n5u s PHE 149 N -2.96 2.34 -0.38 -0.72 2.19 -0.72 -4.85 117.98 112.89 1n5u s PHE 149 Ca 0.00 0.52 -0.39 0.00 0.33 0.00 0.00 56.93 57.39 1n5u s PHE 149 Cb 0.00 -3.76 -0.14 0.00 -1.31 0.00 0.00 43.02 37.81 1n5u s PHE 149 CO 0.00 -3.01 2.09 0.98 1.83 0.00 0.00 175.22 177.11 1n5u n TYR 150 N 6.82 1.57 -0.17 10.12 -0.00 -1.26 -4.85 117.16 129.38 1n5u n TYR 150 Ca 0.16 0.46 -0.07 0.00 -0.00 0.00 0.00 57.90 58.45 1n5u n TYR 150 Cb 0.44 -2.45 -0.01 0.00 -0.00 0.00 0.00 39.34 37.31 1n5u n TYR 150 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1n5u h ALA 151 N 10.50 -0.15 -0.90 2.98 0.00 -1.97 -1.28 119.26 128.45 1n5u h ALA 151 Ca -0.26 0.13 0.15 0.00 0.00 0.00 0.00 54.91 54.92 1n5u h ALA 151 Cb 1.35 0.79 -0.07 0.00 0.00 0.00 0.00 17.79 19.85 1n5u h ALA 151 CO 1.03 -0.72 0.58 -1.35 0.00 0.00 0.00 179.25 178.78 1n5u h PRO 152 N -0.21 0.67 -0.30 0.00 0.11 -1.96 0.81 132.00 131.11 1n5u h PRO 152 Ca 0.20 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 1n5u h PRO 152 Cb 0.55 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 1n5u h PRO 152 CO -0.63 0.44 -0.02 1.49 -0.21 0.00 0.00 178.00 179.07 1n5u h GLU 153 N 0.69 0.47 0.00 1.05 4.81 -1.61 -0.35 114.58 119.63 1n5u h GLU 153 Ca 0.45 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1n5u h GLU 153 Cb 0.73 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1n5u h GLU 153 CO -0.21 0.51 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.28 1n5u h LEU 154 N 0.45 0.00 -0.90 1.64 3.38 -0.60 -1.90 115.31 117.38 1n5u h LEU 154 Ca 0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1n5u h LEU 154 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1n5u h LEU 154 CO 0.01 0.23 -0.33 -0.07 0.09 0.00 0.00 178.44 178.37 1n5u h LEU 155 N 0.00 0.43 -0.32 1.67 4.07 -0.79 -0.86 115.31 119.49 1n5u h LEU 155 Ca -0.00 -0.16 -0.11 0.00 0.08 0.00 0.00 57.88 57.69 1n5u h LEU 155 Cb 0.42 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 1n5u h LEU 155 CO 0.03 0.73 -0.23 -0.26 -1.08 0.00 0.00 178.44 177.63 1n5u h PHE 156 N 0.36 0.86 -0.53 1.13 0.04 -1.02 -2.22 116.94 115.55 1n5u h PHE 156 Ca 0.04 -0.23 -0.02 0.00 2.80 0.00 0.00 57.97 60.56 1n5u h PHE 156 Cb 0.75 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 1n5u h PHE 156 CO 0.02 0.97 0.27 0.74 -0.60 0.00 0.00 178.31 179.71 1n5u h PHE 157 N 0.49 0.76 -0.38 -0.55 0.04 -1.21 -2.56 116.94 113.53 1n5u h PHE 157 Ca 0.06 -0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.86 1n5u h PHE 157 Cb 0.79 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 38.65 1n5u h PHE 157 CO 0.07 0.58 0.06 0.00 -0.60 0.00 0.00 178.31 178.41 1n5u h ALA 158 N 1.11 0.39 0.00 2.45 0.00 -1.03 0.10 119.26 122.28 1n5u h ALA 158 Ca 0.18 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1n5u h ALA 158 Cb 0.10 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1n5u h ALA 158 CO -0.03 -0.34 -0.18 0.87 0.00 0.00 0.00 179.25 179.57 1n5u h LYS 159 N 0.18 0.00 -0.00 0.00 1.57 -1.29 0.73 116.57 117.75 1n5u h LYS 159 Ca 0.18 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.75 1n5u h LYS 159 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1n5u h LYS 159 CO -0.25 0.18 -0.91 0.00 -0.57 0.00 0.00 179.45 177.89 1n5u h ARG 160 N 0.00 0.36 -0.36 3.15 3.08 -0.71 -2.26 114.38 117.65 1n5u h ARG 160 Ca -0.00 -0.38 -0.14 0.00 0.07 0.00 0.00 59.98 59.53 1n5u h ARG 160 Cb 0.32 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1n5u h ARG 160 CO 0.02 1.06 -0.31 1.88 -1.07 0.00 0.00 179.97 181.56 1n5u h TYR 161 N 0.21 0.99 -0.59 3.04 -1.99 -0.01 -1.63 116.97 116.99 1n5u h TYR 161 Ca -0.07 -0.29 0.06 0.00 2.00 0.00 0.00 58.73 60.44 1n5u h TYR 161 Cb 1.54 -0.21 -0.05 0.00 2.00 0.00 0.00 36.73 40.00 1n5u h TYR 161 CO 0.05 1.07 0.30 -0.22 -0.00 0.00 0.00 178.16 179.36 1n5u h LYS 162 N 0.63 0.54 -0.64 4.88 3.64 -0.86 -0.42 116.57 124.33 1n5u h LYS 162 Ca 0.06 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1n5u h LYS 162 Cb 0.88 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 1n5u h LYS 162 CO 0.08 0.36 0.22 0.00 -2.27 0.00 0.00 179.45 177.83 1n5u h ALA 163 N 1.33 0.84 -0.21 5.00 0.00 -1.24 -0.26 119.26 124.71 1n5u h ALA 163 Ca 0.27 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1n5u h ALA 163 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1n5u h ALA 163 CO -0.19 0.50 0.12 0.00 0.00 0.00 0.00 179.25 179.67 1n5u h ALA 164 N 1.08 0.26 -0.39 0.00 0.00 -0.47 -1.27 119.26 118.47 1n5u h ALA 164 Ca 0.21 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1n5u h ALA 164 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1n5u h ALA 164 CO -0.01 -0.29 -0.28 0.74 0.00 0.00 0.00 179.25 179.42 1n5u h PHE 165 N 0.25 0.95 -0.42 0.00 0.04 -0.96 -0.21 116.94 116.59 1n5u h PHE 165 Ca 0.08 -0.24 -0.01 0.00 2.80 0.00 0.00 57.97 60.61 1n5u h PHE 165 Cb 0.00 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 37.91 1n5u h PHE 165 CO -0.08 1.00 0.23 1.15 -0.60 0.00 0.00 178.31 180.01 1n5u h THR 166 N 0.70 1.15 0.00 -1.55 2.02 -0.82 -0.84 112.91 113.58 1n5u h THR 166 Ca 0.08 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 1n5u h THR 166 Cb 0.81 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1n5u h THR 166 CO 0.07 0.16 -0.14 -0.08 0.37 0.00 0.00 175.52 175.90 1n5u h GLU 167 N 0.55 0.09 0.00 6.66 4.81 -1.21 -3.38 114.58 122.09 1n5u h GLU 167 Ca 0.15 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 1n5u h GLU 167 Cb 0.04 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1n5u h GLU 167 CO -0.02 0.89 -0.46 0.00 -0.73 0.00 0.00 179.01 178.68 1n5u n GLN 170 N -1.40 1.56 -2.45 0.00 10.64 -1.23 -5.00 117.38 119.51 1n5u n GLN 170 Ca 0.09 -2.22 -0.24 0.00 -1.83 0.00 0.00 57.00 52.80 1n5u n GLN 170 Cb 0.24 -1.32 0.05 0.00 -0.86 0.00 0.00 30.24 28.35 1n5u n GLN 170 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1n5u s ALA 171 N -2.25 3.48 0.01 2.61 0.00 -1.13 -5.01 121.76 119.47 1n5u s ALA 171 Ca 0.23 -1.03 -0.24 0.00 0.00 0.00 0.00 51.96 50.92 1n5u s ALA 171 Cb 0.20 -2.39 -0.17 0.00 0.00 0.00 0.00 23.12 20.76 1n5u s ALA 171 CO 0.02 -0.95 1.35 0.00 0.00 0.00 0.00 175.76 176.18 1n5u h ALA 172 N -0.22 0.08 -2.76 0.00 0.00 -1.94 -3.34 119.26 111.09 1n5u h ALA 172 Ca -0.44 -0.24 -0.70 0.00 0.00 0.00 0.00 54.91 53.53 1n5u h ALA 172 Cb 1.29 -0.02 -0.36 0.00 0.00 0.00 0.00 17.79 18.71 1n5u h ALA 172 CO 0.57 -0.17 -0.09 -3.47 0.00 0.00 0.00 179.25 176.09 1n5u n ASP 173 N -4.79 4.26 -0.21 0.00 4.64 -1.26 -4.95 116.55 114.24 1n5u n ASP 173 Ca -0.07 -3.17 -0.09 0.00 -1.38 0.00 0.00 54.79 50.08 1n5u n ASP 173 Cb 0.25 -1.03 -0.04 0.00 -1.04 0.00 0.00 41.12 39.26 1n5u n ASP 173 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1n5u h LYS 174 N 5.80 -0.22 -0.49 -0.67 1.57 -1.74 -2.31 116.57 118.51 1n5u h LYS 174 Ca 0.17 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1n5u h LYS 174 Cb 0.79 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 1n5u h LYS 174 CO 0.88 -0.15 0.33 0.00 -0.57 0.00 0.00 179.45 179.94 1n5u h ALA 175 N 0.56 0.63 -0.39 3.86 0.00 -1.92 0.24 119.26 122.24 1n5u h ALA 175 Ca 0.17 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1n5u h ALA 175 Cb 0.56 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1n5u h ALA 175 CO -0.69 0.07 0.27 0.00 0.00 0.00 0.00 179.25 178.89 1n5u h ALA 176 N 1.18 2.06 0.00 0.00 0.00 -1.86 -1.20 119.26 119.44 1n5u h ALA 176 Ca 0.18 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1n5u h ALA 176 Cb -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1n5u h ALA 176 CO -0.04 -0.14 -0.49 0.00 0.00 0.00 0.00 179.25 178.58 1n5u h LEU 178 N -1.00 -0.46 -0.53 0.00 6.46 -0.31 -3.33 115.31 116.14 1n5u h LEU 178 Ca -0.13 -0.12 0.11 0.00 -0.12 0.00 0.00 57.88 57.61 1n5u h LEU 178 Cb 1.04 0.12 -0.09 0.00 -0.73 0.00 0.00 40.66 41.00 1n5u h LEU 178 CO -0.08 -0.08 -0.03 -0.07 -0.62 0.00 0.00 178.44 177.56 1n5u h LEU 179 N -0.90 -0.30 -1.49 2.25 -0.00 -1.45 -0.29 115.31 113.14 1n5u h LEU 179 Ca -0.06 0.14 0.02 0.00 -0.00 0.00 0.00 57.88 57.98 1n5u h LEU 179 Cb 0.55 0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 41.44 1n5u h LEU 179 CO 0.09 -0.11 0.37 -0.65 -0.00 0.00 0.00 178.44 178.14 1n5u h PRO 180 N 0.08 0.65 -0.38 1.13 0.11 -1.77 0.21 132.00 132.04 1n5u h PRO 180 Ca 0.27 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.18 1n5u h PRO 180 Cb 0.41 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1n5u h PRO 180 CO -0.47 0.43 -0.38 0.87 -0.21 0.00 0.00 178.00 178.24 1n5u h LYS 181 N 0.67 0.91 -0.32 1.05 1.57 -1.26 -1.26 116.57 117.93 1n5u h LYS 181 Ca 0.22 -0.47 -0.12 0.00 -1.87 0.00 0.00 60.65 58.41 1n5u h LYS 181 Cb 0.04 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1n5u h LYS 181 CO -0.05 1.12 -0.29 -0.07 -0.57 0.00 0.00 179.45 179.58 1n5u h LEU 182 N 0.74 0.68 -0.27 2.94 3.38 -0.27 -0.95 115.31 121.56 1n5u h LEU 182 Ca 0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1n5u h LEU 182 Cb 0.96 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1n5u h LEU 182 CO 0.09 0.94 0.14 0.44 0.09 0.00 0.00 178.44 180.13 1n5u h ASP 183 N 0.57 0.36 0.34 -0.43 3.45 -0.45 -0.44 116.42 119.82 1n5u h ASP 183 Ca 0.07 -0.12 -0.02 0.00 0.43 0.00 0.00 57.03 57.39 1n5u h ASP 183 Cb 0.79 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.47 1n5u h ASP 183 CO 0.06 0.37 -0.16 -0.33 -1.57 0.00 0.00 179.24 177.61 1n5u h GLU 184 N 0.31 -0.44 -0.55 3.56 5.08 -0.97 -0.85 114.58 120.71 1n5u h GLU 184 Ca 0.09 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 1n5u h GLU 184 Cb 0.11 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1n5u h GLU 184 CO -0.01 -0.28 0.22 -0.07 -1.00 0.00 0.00 179.01 177.86 1n5u h LEU 185 N -0.48 0.24 -0.22 1.33 -0.00 -1.12 0.12 115.31 115.18 1n5u h LEU 185 Ca -0.05 0.06 0.02 0.00 -0.00 0.00 0.00 57.88 57.92 1n5u h LEU 185 Cb 0.37 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.03 1n5u h LEU 185 CO 0.08 0.16 0.07 -0.09 -0.00 0.00 0.00 178.44 178.66 1n5u h ARG 186 N 0.41 0.16 -0.14 1.13 1.12 -0.93 0.13 114.38 116.27 1n5u h ARG 186 Ca 0.27 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 59.12 1n5u h ARG 186 Cb 0.28 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 1n5u h ARG 186 CO -0.25 0.11 0.06 -0.44 -3.11 0.00 0.00 179.97 176.33 1n5u h ASP 187 N 0.17 0.20 -1.01 -3.80 3.32 -0.51 -1.05 116.42 113.74 1n5u h ASP 187 Ca 0.10 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.00 1n5u h ASP 187 Cb 0.07 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 1n5u h ASP 187 CO -0.11 0.31 0.67 -0.33 -1.72 0.00 0.00 179.24 178.06 1n5u h GLU 188 N 0.07 1.29 0.25 3.56 5.08 -0.60 0.02 114.58 124.26 1n5u h GLU 188 Ca 0.05 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1n5u h GLU 188 Cb 0.17 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1n5u h GLU 188 CO -0.00 0.85 -0.12 0.78 -1.00 0.00 0.00 179.01 179.52 1n5u h GLY 189 N 1.33 -0.36 0.99 -3.84 0.00 -0.42 0.20 103.07 100.97 1n5u h GLY 189 Ca 0.38 0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.85 1n5u h GLY 189 CO -0.10 -0.13 0.41 0.50 0.00 0.00 0.00 176.54 177.22 1n5u h LYS 190 N -0.38 0.81 0.11 4.80 1.57 -0.89 -1.20 116.57 121.39 1n5u h LYS 190 Ca -0.03 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1n5u h LYS 190 Cb 0.29 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1n5u h LYS 190 CO 0.06 0.54 -0.07 0.00 -0.57 0.00 0.00 179.45 179.41 1n5u h ALA 191 N 1.24 -0.16 -0.67 3.86 0.00 -0.81 0.45 119.26 123.17 1n5u h ALA 191 Ca 0.23 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.20 1n5u h ALA 191 Cb -0.08 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1n5u h ALA 191 CO -0.06 -0.60 0.32 1.03 0.00 0.00 0.00 179.25 179.95 1n5u h SER 192 N -0.17 0.42 -0.44 0.00 0.87 -0.31 0.59 113.55 114.50 1n5u h SER 192 Ca -0.01 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1n5u h SER 192 Cb 0.14 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1n5u h SER 192 CO 0.01 0.25 0.18 -1.28 -0.53 0.00 0.00 176.83 175.46 1n5u h SER 193 N 0.57 0.61 -0.38 6.23 0.87 -0.86 0.91 113.55 121.49 1n5u h SER 193 Ca 0.32 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 1n5u h SER 193 Cb 0.33 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1n5u h SER 193 CO -0.26 0.61 0.14 0.00 -0.53 0.00 0.00 176.83 176.79 1n5u h ALA 194 N 1.03 0.50 -0.63 6.23 0.00 0.00 -2.18 119.26 124.20 1n5u h ALA 194 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n5u h ALA 194 Cb 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1n5u h ALA 194 CO -0.01 0.12 0.40 -0.22 0.00 0.00 0.00 179.25 179.54 1n5u h LYS 195 N 0.47 0.84 -0.95 0.00 3.64 0.37 0.16 116.57 121.09 1n5u h LYS 195 Ca 0.13 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1n5u h LYS 195 Cb 0.21 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 1n5u h LYS 195 CO -0.01 0.57 0.63 1.96 -2.27 0.00 0.00 179.45 180.33 1n5u h GLN 196 N 0.85 1.25 -0.05 1.90 4.20 -0.62 -1.54 115.11 121.09 1n5u h GLN 196 Ca 0.23 -0.07 -0.25 0.00 0.06 0.00 0.00 58.65 58.62 1n5u h GLN 196 Cb -0.08 -0.28 0.01 0.00 0.30 0.00 0.00 27.48 27.44 1n5u h GLN 196 CO -0.05 0.82 -0.94 -0.09 -0.67 0.00 0.00 178.83 177.91 1n5u h ARG 197 N 1.28 0.69 -0.57 1.46 2.43 -0.81 -3.07 114.38 115.79 1n5u h ARG 197 Ca 0.35 -0.67 -0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1n5u h ARG 197 Cb -0.14 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1n5u h ARG 197 CO -0.08 1.27 0.34 1.25 -1.51 0.00 0.00 179.97 181.24 1n5u h LEU 198 N 0.42 0.68 -0.36 3.80 5.85 -0.45 -0.02 115.31 125.22 1n5u h LEU 198 Ca -0.10 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1n5u h LEU 198 Cb 1.58 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 1n5u h LEU 198 CO 0.18 0.54 0.24 0.11 -0.34 0.00 0.00 178.44 179.17 1n5u h LYS 199 N 0.77 0.48 -0.49 1.25 1.79 -1.34 0.16 116.57 119.19 1n5u h LYS 199 Ca 0.20 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.52 1n5u h LYS 199 Cb -0.02 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 1n5u h LYS 199 CO -0.04 0.32 -0.17 0.00 -1.08 0.00 0.00 179.45 178.48 1n5u h ALA 201 N 0.96 1.06 -0.53 0.00 0.00 -0.75 -1.68 119.26 118.31 1n5u h ALA 201 Ca 0.12 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1n5u h ALA 201 Cb 0.73 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1n5u h ALA 201 CO 0.06 0.61 -0.14 1.03 0.00 0.00 0.00 179.25 180.81 1n5u h SER 202 N 0.90 1.04 -0.58 0.00 0.87 -0.41 -0.96 113.55 114.41 1n5u h SER 202 Ca 0.18 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1n5u h SER 202 Cb 0.39 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 1n5u h SER 202 CO 0.01 1.16 0.37 0.25 -0.53 0.00 0.00 176.83 178.09 1n5u h LEU 203 N 0.91 0.68 0.33 2.23 5.85 -0.82 -0.65 115.31 123.84 1n5u h LEU 203 Ca 0.13 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1n5u h LEU 203 Cb 0.71 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1n5u h LEU 203 CO 0.05 0.51 -0.16 -0.61 -0.34 0.00 0.00 178.44 177.90 1n5u h GLN 204 N 0.78 -0.43 -0.14 1.25 5.75 -1.02 -1.41 115.11 119.89 1n5u h GLN 204 Ca 0.21 0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.62 1n5u h GLN 204 Cb -0.05 0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.60 1n5u h GLN 204 CO -0.04 -0.24 -0.39 -0.22 -2.65 0.00 0.00 178.83 175.29 1n5u h LYS 205 N -0.52 0.51 0.00 1.69 3.64 -1.09 -3.36 116.57 117.44 1n5u h LYS 205 Ca -0.05 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1n5u h LYS 205 Cb 0.39 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1n5u h LYS 205 CO 0.08 0.98 -1.11 1.19 -2.27 0.00 0.00 179.45 178.32 1n5u n PHE 206 N -4.31 0.16 0.00 1.91 3.01 -0.26 -5.09 117.46 112.88 1n5u n PHE 206 Ca -0.07 0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1n5u n PHE 206 Cb 0.53 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 1n5u n PHE 206 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1n5u n GLY 207 N 1.39 0.76 0.24 1.37 0.00 -0.53 -4.38 105.19 104.04 1n5u n GLY 207 Ca 0.02 -1.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 1n5u n GLY 207 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n5u h GLU 208 N 0.00 0.83 -0.62 1.61 4.81 -1.94 -2.94 114.58 116.34 1n5u h GLU 208 Ca 0.00 -0.44 0.05 0.00 -0.13 0.00 0.00 59.36 58.84 1n5u h GLU 208 Cb 0.00 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 1n5u h GLU 208 CO 0.00 1.08 0.35 -0.09 -0.73 0.00 0.00 179.01 179.62 1n5u h ARG 209 N 0.61 0.63 -0.92 1.92 2.43 -1.97 0.63 114.38 117.72 1n5u h ARG 209 Ca 0.05 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1n5u h ARG 209 Cb 0.94 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.30 1n5u h ARG 209 CO 0.09 0.42 0.54 0.00 -1.51 0.00 0.00 179.97 179.50 1n5u h ALA 210 N 1.32 1.17 -0.48 2.80 0.00 -1.75 -0.71 119.26 121.61 1n5u h ALA 210 Ca 0.27 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1n5u h ALA 210 Cb 0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1n5u h ALA 210 CO -0.16 0.65 -0.04 0.35 0.00 0.00 0.00 179.25 180.05 1n5u h PHE 211 N 1.27 0.96 -0.60 0.00 3.57 -1.13 -2.27 116.94 118.74 1n5u h PHE 211 Ca 0.33 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1n5u h PHE 211 Cb -0.03 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 1n5u h PHE 211 CO 0.01 0.92 0.35 0.87 -2.23 0.00 0.00 178.31 178.23 1n5u h LYS 212 N 0.73 0.81 -0.02 1.11 1.57 -0.29 0.12 116.57 120.59 1n5u h LYS 212 Ca 0.13 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1n5u h LYS 212 Cb 0.57 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1n5u h LYS 212 CO 0.03 0.58 0.01 0.00 -0.57 0.00 0.00 179.45 179.50 1n5u h ALA 213 N 1.56 0.03 -0.78 3.86 0.00 -0.91 0.34 119.26 123.36 1n5u h ALA 213 Ca 0.22 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1n5u h ALA 213 Cb -0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 1n5u h ALA 213 CO -0.04 -0.38 0.45 2.35 0.00 0.00 0.00 179.25 181.63 1n5u h TRP 214 N -0.14 0.82 -0.31 0.00 7.01 -0.80 -2.12 115.95 120.41 1n5u h TRP 214 Ca 0.01 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 1n5u h TRP 214 Cb 0.18 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 26.98 1n5u h TRP 214 CO -0.01 0.36 0.10 0.00 -2.79 0.00 0.00 178.44 176.10 1n5u h ALA 215 N 1.41 0.40 -0.41 2.65 0.00 -0.44 -0.92 119.26 121.96 1n5u h ALA 215 Ca 0.36 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1n5u h ALA 215 Cb 0.28 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1n5u h ALA 215 CO -0.22 0.04 0.13 0.28 0.00 0.00 0.00 179.25 179.48 1n5u h VAL 216 N 0.34 0.85 -0.06 0.00 2.07 -0.48 0.12 116.25 119.08 1n5u h VAL 216 Ca 0.10 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1n5u h VAL 216 Cb 0.24 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1n5u h VAL 216 CO -0.00 0.05 0.03 0.00 0.02 0.00 0.00 177.57 177.67 1n5u h ALA 217 N 1.28 0.08 -0.46 1.67 0.00 -1.19 -0.67 119.26 119.98 1n5u h ALA 217 Ca 0.19 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1n5u h ALA 217 Cb 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1n5u h ALA 217 CO -0.21 -0.37 0.03 -0.09 0.00 0.00 0.00 179.25 178.60 1n5u h ARG 218 N -0.00 0.79 -0.28 0.00 1.12 -0.90 -2.26 114.38 112.85 1n5u h ARG 218 Ca 0.02 -0.24 -0.11 0.00 -1.11 0.00 0.00 59.98 58.54 1n5u h ARG 218 Cb 0.10 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 29.97 1n5u h ARG 218 CO -0.00 0.83 -0.28 -0.07 -3.11 0.00 0.00 179.97 177.34 1n5u h LEU 219 N 0.64 0.58 -0.71 3.80 3.38 -0.75 -2.29 115.31 119.96 1n5u h LEU 219 Ca 0.13 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1n5u h LEU 219 Cb 0.46 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1n5u h LEU 219 CO 0.02 0.84 -0.11 0.28 0.09 0.00 0.00 178.44 179.56 1n5u h SER 220 N 0.49 0.87 -0.52 -0.43 0.02 -0.99 0.31 113.55 113.30 1n5u h SER 220 Ca 0.06 -0.27 -0.11 0.00 -0.84 0.00 0.00 61.79 60.63 1n5u h SER 220 Cb 0.74 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1n5u h SER 220 CO 0.06 1.00 -0.11 1.56 -1.14 0.00 0.00 176.83 178.19 1n5u h GLN 221 N 0.79 1.00 -0.22 3.45 4.20 -1.28 -2.45 115.11 120.60 1n5u h GLN 221 Ca 0.13 -0.37 -0.17 0.00 0.06 0.00 0.00 58.65 58.31 1n5u h GLN 221 Cb 0.62 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1n5u h GLN 221 CO 0.04 1.05 -0.51 -0.09 -0.67 0.00 0.00 178.83 178.65 1n5u h ARG 222 N 0.89 0.73 -2.23 1.46 9.65 -1.11 -3.37 114.38 120.39 1n5u h ARG 222 Ca 0.14 -0.49 -0.58 0.00 -1.10 0.00 0.00 59.98 57.94 1n5u h ARG 222 Cb 0.67 0.07 -0.42 0.00 -1.39 0.00 0.00 29.97 28.91 1n5u h ARG 222 CO 0.05 1.12 -0.69 1.19 2.80 0.00 0.00 179.97 184.43 1n5u n PHE 223 N -4.12 3.48 0.26 2.20 0.99 0.11 -0.70 117.46 119.68 1n5u n PHE 223 Ca -0.06 -4.01 0.14 0.00 -0.00 0.00 0.00 57.45 53.52 1n5u n PHE 223 Cb 0.60 -0.50 0.83 0.00 -1.00 0.00 0.00 39.48 39.41 1n5u n PHE 223 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1n5u h PRO 224 N 3.31 0.00 0.00 -1.08 0.13 -1.60 -2.16 132.00 130.60 1n5u h PRO 224 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1n5u h PRO 224 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1n5u h PRO 224 CO 0.78 0.00 -0.17 0.87 -0.23 0.00 0.00 178.00 179.26 1n5u h LYS 225 N 0.00 0.00 -6.99 0.86 1.57 -1.81 -3.44 116.57 106.76 1n5u h LYS 225 Ca 0.02 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.30 1n5u h LYS 225 Cb 0.12 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.48 1n5u h LYS 225 CO -0.00 0.00 0.48 0.00 -0.57 0.00 0.00 179.45 179.36 1n5u s ALA 226 N -3.13 3.02 0.77 3.86 0.00 -0.81 -4.95 121.76 120.52 1n5u s ALA 226 Ca 0.09 0.92 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 1n5u s ALA 226 Cb 0.12 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.92 1n5u s ALA 226 CO 0.64 -0.59 1.09 -1.21 0.00 0.00 0.00 175.76 175.69 1n5u s GLU 227 N -2.59 2.26 0.25 0.00 2.02 -1.26 -4.85 118.70 114.53 1n5u s GLU 227 Ca 0.62 1.09 -0.06 0.00 0.02 0.00 0.00 54.97 56.63 1n5u s GLU 227 Cb -0.28 -1.90 0.25 0.00 0.10 0.00 0.00 34.13 32.30 1n5u s GLU 227 CO 0.35 -1.61 1.90 0.35 0.02 0.00 0.00 175.26 176.27 1n5u h PHE 228 N -1.10 1.24 -0.22 1.61 3.04 -1.97 -1.58 116.94 117.96 1n5u h PHE 228 Ca -0.44 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.51 1n5u h PHE 228 Cb 1.23 -0.41 -0.01 0.00 2.56 0.00 0.00 35.95 39.32 1n5u h PHE 228 CO 0.57 0.81 0.12 0.00 -2.02 0.00 0.00 178.31 177.79 1n5u h ALA 229 N 1.34 1.80 -0.08 2.41 0.00 -1.98 0.28 119.26 123.02 1n5u h ALA 229 Ca 0.34 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 55.02 1n5u h ALA 229 Cb -0.08 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1n5u h ALA 229 CO -0.07 0.18 -0.70 1.49 0.00 0.00 0.00 179.25 180.15 1n5u h GLU 230 N 0.30 0.62 -0.66 0.00 4.57 -1.72 -1.44 114.58 116.25 1n5u h GLU 230 Ca 0.08 -0.56 -0.03 0.00 -1.18 0.00 0.00 59.36 57.67 1n5u h GLU 230 Cb 0.01 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 1n5u h GLU 230 CO -0.01 1.18 0.29 0.28 -1.18 0.00 0.00 179.01 179.56 1n5u h VAL 231 N 0.25 1.23 -0.52 0.32 2.07 -0.68 -0.20 116.25 118.73 1n5u h VAL 231 Ca -0.07 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1n5u h VAL 231 Cb 1.36 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1n5u h VAL 231 CO 0.14 0.27 0.30 -1.28 0.02 0.00 0.00 177.57 177.03 1n5u h SER 232 N 0.91 0.64 -0.48 0.57 0.87 -0.43 0.16 113.55 115.79 1n5u h SER 232 Ca 0.22 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1n5u h SER 232 Cb 0.16 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1n5u h SER 232 CO -0.02 0.53 0.27 0.50 -0.53 0.00 0.00 176.83 177.57 1n5u h LYS 233 N 0.69 0.66 -0.45 2.24 3.11 -0.86 -1.70 116.57 120.26 1n5u h LYS 233 Ca 0.18 -0.07 -0.05 0.00 -2.81 0.00 0.00 60.65 57.90 1n5u h LYS 233 Cb 0.02 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.10 1n5u h LYS 233 CO -0.03 0.51 0.07 -0.07 -2.81 0.00 0.00 179.45 177.11 1n5u h LEU 234 N 0.63 0.65 -0.83 5.20 3.38 -0.53 -1.67 115.31 122.15 1n5u h LEU 234 Ca 0.17 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1n5u h LEU 234 Cb 0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1n5u h LEU 234 CO -0.03 0.68 -0.24 -0.37 0.09 0.00 0.00 178.44 178.58 1n5u h VAL 235 N 0.67 1.27 -0.28 1.22 -1.51 -0.24 0.20 116.25 117.58 1n5u h VAL 235 Ca 0.15 -1.30 -0.03 0.00 -1.23 0.00 0.00 66.70 64.28 1n5u h VAL 235 Cb 0.32 1.28 -0.01 0.00 -2.13 0.00 0.00 31.29 30.75 1n5u h VAL 235 CO 0.00 0.42 0.04 0.74 -1.23 0.00 0.00 177.57 177.55 1n5u h THR 236 N 0.54 1.24 -0.53 7.19 2.02 -0.87 0.36 112.91 122.87 1n5u h THR 236 Ca 0.08 -0.81 -0.07 0.00 0.77 0.00 0.00 66.41 66.38 1n5u h THR 236 Cb 0.70 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1n5u h THR 236 CO 0.05 0.26 0.06 0.44 0.37 0.00 0.00 175.52 176.70 1n5u h ASP 237 N 0.28 0.86 -0.34 4.18 3.45 -1.10 -2.20 116.42 121.54 1n5u h ASP 237 Ca 0.08 -0.28 -0.08 0.00 0.43 0.00 0.00 57.03 57.19 1n5u h ASP 237 Cb 0.35 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.87 1n5u h ASP 237 CO 0.01 0.92 -0.07 0.25 -1.57 0.00 0.00 179.24 178.78 1n5u h LEU 238 N 0.77 0.73 -0.79 1.55 6.46 -0.49 -1.19 115.31 122.34 1n5u h LEU 238 Ca 0.16 -0.20 -0.06 0.00 -0.12 0.00 0.00 57.88 57.66 1n5u h LEU 238 Cb 0.44 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 1n5u h LEU 238 CO 0.02 0.84 0.20 0.00 -0.62 0.00 0.00 178.44 178.88 1n5u h THR 239 N 0.69 1.26 -0.32 1.05 1.03 -0.67 0.55 112.91 116.50 1n5u h THR 239 Ca 0.13 -0.91 -0.03 0.00 -0.01 0.00 0.00 66.41 65.58 1n5u h THR 239 Cb 0.52 0.49 -0.01 0.00 -1.07 0.00 0.00 68.15 68.08 1n5u h THR 239 CO 0.03 0.36 0.08 0.50 -0.01 0.00 0.00 175.52 176.47 1n5u h LYS 240 N 1.06 0.52 -0.39 0.00 3.64 -0.95 -0.19 116.57 120.27 1n5u h LYS 240 Ca 0.23 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1n5u h LYS 240 Cb 0.32 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1n5u h LYS 240 CO -0.00 0.58 0.20 -0.39 -2.27 0.00 0.00 179.45 177.57 1n5u h VAL 241 N 0.36 1.16 -0.28 2.00 -1.51 -0.87 -0.51 116.25 116.59 1n5u h VAL 241 Ca 0.10 -0.42 -0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1n5u h VAL 241 Cb 0.30 0.73 -0.01 0.00 -2.13 0.00 0.00 31.29 30.17 1n5u h VAL 241 CO 0.00 0.16 0.18 -0.74 -1.23 0.00 0.00 177.57 175.94 1n5u h HIS 242 N 0.49 0.36 -0.32 5.19 -0.00 -0.78 0.20 115.15 120.30 1n5u h HIS 242 Ca 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.49 1n5u h HIS 242 Cb 0.08 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 1n5u h HIS 242 CO -0.02 0.26 0.12 1.15 -0.00 0.00 0.00 177.93 179.44 1n5u h THR 243 N 0.36 1.18 -0.19 6.26 2.02 -0.86 -1.00 112.91 120.69 1n5u h THR 243 Ca 0.10 -0.56 -0.17 0.00 0.77 0.00 0.00 66.41 66.55 1n5u h THR 243 Cb -0.01 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1n5u h THR 243 CO -0.02 0.20 -0.58 -0.33 0.37 0.00 0.00 175.52 175.16 1n5u h GLU 244 N 0.36 0.60 -0.12 6.66 5.08 -0.96 -2.60 114.58 123.61 1n5u h GLU 244 Ca 0.11 -0.40 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 1n5u h GLU 244 Cb 0.19 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1n5u h GLU 244 CO -0.01 1.01 -0.25 0.00 -1.00 0.00 0.00 179.01 178.76 1n5u h HIS 247 N 0.00 0.00 0.00 0.00 6.17 -0.89 -3.47 115.15 116.96 1n5u h HIS 247 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1n5u h HIS 247 Cb 0.65 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.58 1n5u h HIS 247 CO 0.00 0.12 0.00 0.41 0.71 0.00 0.00 177.93 179.17 1n5u n GLY 248 N -0.74 0.21 3.65 5.26 0.00 -0.56 -5.03 105.19 107.98 1n5u n GLY 248 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1n5u n GLY 248 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n5u s ASP 249 N -2.29 7.02 0.13 1.61 -1.08 -1.26 -4.88 116.67 115.92 1n5u s ASP 249 Ca 0.00 1.30 -0.32 0.00 -0.52 0.00 0.00 52.55 53.01 1n5u s ASP 249 Cb 0.00 -2.54 -0.09 0.00 -1.46 0.00 0.00 42.92 38.83 1n5u s ASP 249 CO 0.00 -0.75 1.56 0.25 0.52 0.00 0.00 175.17 176.75 1n5u h LEU 250 N 9.71 -1.63 -0.35 -1.34 5.85 -1.95 -1.32 115.31 124.27 1n5u h LEU 250 Ca -0.20 0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1n5u h LEU 250 Cb 1.06 0.66 -0.02 0.00 0.37 0.00 0.00 40.66 42.73 1n5u h LEU 250 CO 1.00 -0.44 0.20 -0.07 -0.34 0.00 0.00 178.44 178.79 1n5u h LEU 251 N -0.49 0.33 -0.46 2.25 3.38 -1.98 0.21 115.31 118.56 1n5u h LEU 251 Ca 0.07 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1n5u h LEU 251 Cb 0.64 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1n5u h LEU 251 CO -0.49 0.24 0.25 -0.33 0.09 0.00 0.00 178.44 178.20 1n5u h GLU 252 N 0.42 0.48 -0.29 1.13 3.07 -1.92 0.15 114.58 117.63 1n5u h GLU 252 Ca 0.14 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.94 1n5u h GLU 252 Cb 0.01 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1n5u h GLU 252 CO -0.07 0.32 0.07 0.00 -1.40 0.00 0.00 179.01 177.93 1n5u h ALA 254 N 0.90 0.95 -0.39 0.00 0.00 -0.30 -0.60 119.26 119.81 1n5u h ALA 254 Ca 0.09 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1n5u h ALA 254 Cb 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1n5u h ALA 254 CO 0.00 0.44 -0.25 -0.44 0.00 0.00 0.00 179.25 179.00 1n5u h ASP 255 N 1.02 0.83 -0.21 0.00 3.45 -0.89 0.51 116.42 121.12 1n5u h ASP 255 Ca 0.26 -0.31 -0.02 0.00 0.43 0.00 0.00 57.03 57.39 1n5u h ASP 255 Cb 0.01 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.54 1n5u h ASP 255 CO -0.05 1.04 0.04 0.44 -1.57 0.00 0.00 179.24 179.14 1n5u h ASP 256 N 0.69 0.32 -0.54 6.45 3.45 -0.96 0.58 116.42 126.41 1n5u h ASP 256 Ca 0.09 -0.25 -0.03 0.00 0.43 0.00 0.00 57.03 57.27 1n5u h ASP 256 Cb 0.78 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.44 1n5u h ASP 256 CO 0.06 0.48 0.22 0.03 -1.57 0.00 0.00 179.24 178.46 1n5u h ARG 257 N 0.15 0.81 -0.81 3.56 3.08 -1.01 -1.46 114.38 118.69 1n5u h ARG 257 Ca 0.06 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1n5u h ARG 257 Cb 0.29 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1n5u h ARG 257 CO 0.00 0.71 0.45 0.00 -1.07 0.00 0.00 179.97 180.06 1n5u h ALA 258 N 1.06 1.04 -0.30 0.04 0.00 -0.77 -0.21 119.26 120.12 1n5u h ALA 258 Ca 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1n5u h ALA 258 Cb 0.20 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1n5u h ALA 258 CO -0.01 0.55 0.12 -0.44 0.00 0.00 0.00 179.25 179.46 1n5u h ASP 259 N 1.13 0.41 -0.17 0.00 3.45 -0.56 -0.30 116.42 120.37 1n5u h ASP 259 Ca 0.29 -0.17 -0.02 0.00 0.43 0.00 0.00 57.03 57.56 1n5u h ASP 259 Cb 0.03 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 1n5u h ASP 259 CO -0.05 0.47 0.05 0.25 -1.57 0.00 0.00 179.24 178.39 1n5u h LEU 260 N 0.33 0.26 -0.76 1.55 5.85 -1.02 -0.29 115.31 121.23 1n5u h LEU 260 Ca 0.10 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.66 1n5u h LEU 260 Cb 0.19 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1n5u h LEU 260 CO -0.01 0.41 0.45 0.00 -0.34 0.00 0.00 178.44 178.95 1n5u h ALA 261 N 0.85 1.04 -0.43 1.25 0.00 -0.96 0.48 119.26 121.49 1n5u h ALA 261 Ca 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1n5u h ALA 261 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1n5u h ALA 261 CO -0.00 0.14 0.25 -0.22 0.00 0.00 0.00 179.25 179.42 1n5u h LYS 262 N 0.81 0.60 -0.16 0.00 3.64 -0.75 0.61 116.57 121.31 1n5u h LYS 262 Ca 0.34 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1n5u h LYS 262 Cb 0.21 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1n5u h LYS 262 CO -0.19 0.46 0.10 -0.92 -2.27 0.00 0.00 179.45 176.64 1n5u h TYR 263 N 0.57 0.19 -0.37 1.91 3.20 -0.10 -1.67 116.97 120.71 1n5u h TYR 263 Ca 0.15 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.07 1n5u h TYR 263 Cb 0.03 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 1n5u h TYR 263 CO -0.03 0.12 0.14 0.82 -1.64 0.00 0.00 178.16 177.58 1n5u h ILE 264 N 0.21 0.92 0.00 1.81 2.04 -0.62 -2.09 117.51 119.77 1n5u h ILE 264 Ca 0.06 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1n5u h ILE 264 Cb -0.02 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1n5u h ILE 264 CO -0.02 0.06 -0.16 0.00 0.00 0.00 0.00 178.15 178.02 1n5u n GLU 266 N -3.77 1.56 -1.60 0.00 1.02 -0.65 -3.98 120.64 113.22 1n5u n GLU 266 Ca -0.02 -0.88 0.02 0.00 -0.02 0.00 0.00 57.16 56.26 1n5u n GLU 266 Cb 0.27 -1.48 0.06 0.00 -0.02 0.00 0.00 31.44 30.27 1n5u n GLU 266 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1n5u n ASN 267 N 0.05 1.49 -0.34 1.62 3.02 -0.62 -4.89 115.26 115.59 1n5u n ASN 267 Ca 0.19 -2.48 0.08 0.00 -0.03 0.00 0.00 54.58 52.33 1n5u n ASN 267 Cb 0.34 -0.38 0.27 0.00 -0.61 0.00 0.00 39.78 39.41 1n5u n ASN 267 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1n5u h GLN 268 N 1.36 0.90 0.00 3.52 4.20 -1.57 -0.60 115.11 122.93 1n5u h GLN 268 Ca -0.13 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 1n5u h GLN 268 Cb 1.59 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 29.17 1n5u h GLN 268 CO 0.14 0.59 -0.01 -0.44 -0.67 0.00 0.00 178.83 178.44 1n5u h ASP 269 N 0.92 0.00 -0.13 1.46 3.45 -1.90 -0.50 116.42 119.72 1n5u h ASP 269 Ca 0.49 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.95 1n5u h ASP 269 Cb 0.55 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.32 1n5u h ASP 269 CO -0.26 0.01 0.00 -1.54 -1.57 0.00 0.00 179.24 175.88 1n5u n SER 270 N -3.40 2.68 0.04 6.45 3.41 -0.27 -4.77 113.62 117.76 1n5u n SER 270 Ca -0.03 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 1n5u n SER 270 Cb 0.09 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1n5u n SER 270 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1n5u n ILE 271 N 1.01 0.72 -3.57 -1.33 5.41 -0.34 -4.39 119.36 116.88 1n5u n ILE 271 Ca 0.12 0.24 -0.12 0.00 1.00 0.00 0.00 62.75 63.99 1n5u n ILE 271 Cb 0.46 -1.44 -0.05 0.00 -0.71 0.00 0.00 39.64 37.89 1n5u n ILE 271 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1n5u s SER 272 N -5.58 -0.44 0.00 4.38 0.15 -0.39 -4.05 113.70 107.77 1n5u s SER 272 Ca 0.00 0.51 0.19 0.00 0.70 0.00 0.00 55.95 57.35 1n5u s SER 272 Cb 0.00 0.40 0.69 0.00 -1.71 0.00 0.00 66.02 65.40 1n5u s SER 272 CO 0.00 -0.39 1.51 -1.54 1.20 0.00 0.00 173.24 174.02 1n5u n SER 273 N 0.87 1.68 -1.11 5.45 3.41 -1.26 -3.99 113.62 118.66 1n5u n SER 273 Ca -0.12 -1.74 0.11 0.00 -0.26 0.00 0.00 58.87 56.85 1n5u n SER 273 Cb 0.58 -0.12 0.22 0.00 -0.26 0.00 0.00 64.21 64.62 1n5u n SER 273 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1n5u n LYS 274 N 0.34 2.48 0.00 4.33 4.76 -1.26 -4.55 118.16 124.26 1n5u n LYS 274 Ca 0.16 -2.29 0.12 0.00 -2.87 0.00 0.00 58.31 53.43 1n5u n LYS 274 Cb 0.32 -1.49 0.20 0.00 -1.84 0.00 0.00 35.03 32.23 1n5u n LYS 274 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1n5u n LEU 275 N 1.39 1.46 0.13 -0.35 4.77 -1.26 -4.61 117.00 118.53 1n5u n LEU 275 Ca 0.19 -0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 55.54 1n5u n LEU 275 Cb 0.58 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 1n5u n LEU 275 CO 0.15 0.27 0.60 0.50 -1.33 0.00 0.00 177.39 177.58 1n5u h LYS 276 N 1.71 -0.63 -0.96 3.23 3.64 -1.88 -1.26 116.57 120.43 1n5u h LYS 276 Ca 0.00 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.60 1n5u h LYS 276 Cb 0.62 0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 32.49 1n5u h LYS 276 CO 0.00 -0.42 0.61 1.49 -2.27 0.00 0.00 179.45 178.86 1n5u h GLU 277 N -0.65 0.64 0.00 1.90 4.81 -1.96 -2.30 114.58 117.01 1n5u h GLU 277 Ca 0.02 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1n5u h GLU 277 Cb 0.67 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1n5u h GLU 277 CO -0.22 0.42 -0.77 0.00 -0.73 0.00 0.00 179.01 177.72 1n5u n GLU 280 N -0.90 0.20 -1.25 0.00 1.02 -1.15 -4.98 120.64 113.57 1n5u n GLU 280 Ca 0.17 -0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 56.95 1n5u n GLU 280 Cb 0.24 -1.52 0.09 0.00 -0.02 0.00 0.00 31.44 30.24 1n5u n GLU 280 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1n5u s LYS 281 N -3.15 2.21 0.77 3.49 1.02 -1.05 -4.99 119.74 118.04 1n5u s LYS 281 Ca 0.04 1.20 -0.14 0.00 0.02 0.00 0.00 55.97 57.09 1n5u s LYS 281 Cb 0.15 -1.89 0.06 0.00 -0.52 0.00 0.00 37.83 35.63 1n5u s LYS 281 CO 0.86 -1.68 1.22 -1.25 -0.92 0.00 0.00 175.35 173.58 1n5u s PRO 282 N -4.84 1.87 0.26 -1.68 0.04 -1.26 -4.67 135.00 124.72 1n5u s PRO 282 Ca 0.62 1.80 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 1n5u s PRO 282 Cb -0.18 -1.80 0.54 0.00 0.04 0.00 0.00 34.50 33.11 1n5u s PRO 282 CO 0.55 -2.05 1.65 1.25 0.04 0.00 0.00 177.00 178.45 1n5u h LEU 283 N -0.57 -0.13 -1.30 -3.56 6.46 -1.94 -1.00 115.31 113.27 1n5u h LEU 283 Ca -0.47 0.18 0.20 0.00 -0.12 0.00 0.00 57.88 57.67 1n5u h LEU 283 Cb 1.30 0.28 -0.08 0.00 -0.73 0.00 0.00 40.66 41.43 1n5u h LEU 283 CO 0.48 -0.13 0.61 0.25 -0.62 0.00 0.00 178.44 179.03 1n5u h LEU 284 N 0.19 0.57 0.00 2.25 5.85 -1.91 -2.84 115.31 119.42 1n5u h LEU 284 Ca 0.46 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.25 1n5u h LEU 284 Cb 0.86 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1n5u h LEU 284 CO -0.62 0.22 -1.06 -0.62 -0.34 0.00 0.00 178.44 176.01 1n5u n GLU 285 N -4.61 0.45 0.08 1.25 1.02 -0.43 -4.72 120.64 113.68 1n5u n GLU 285 Ca 0.21 -0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.21 1n5u n GLU 285 Cb 0.65 -1.45 -0.07 0.00 -0.02 0.00 0.00 31.44 30.55 1n5u n GLU 285 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1n5u h LYS 286 N 0.00 -0.52 -0.87 3.49 1.57 -1.17 -1.06 116.57 118.01 1n5u h LYS 286 Ca 0.00 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1n5u h LYS 286 Cb 0.53 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 1n5u h LYS 286 CO 0.00 -0.35 0.57 0.66 -0.57 0.00 0.00 179.45 179.76 1n5u h SER 287 N -0.54 0.99 -0.40 0.86 4.64 -1.85 0.45 113.55 117.70 1n5u h SER 287 Ca -0.01 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1n5u h SER 287 Cb 0.54 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1n5u h SER 287 CO -0.20 0.72 0.25 -0.74 -0.87 0.00 0.00 176.83 175.99 1n5u h HIS 288 N 1.17 0.47 -0.25 4.77 -0.00 -1.83 -0.37 115.15 119.12 1n5u h HIS 288 Ca 0.32 0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 60.55 1n5u h HIS 288 Cb -0.13 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.11 1n5u h HIS 288 CO -0.01 0.29 -0.47 0.00 -0.00 0.00 0.00 177.93 177.74 1n5u h ILE 290 N 0.53 1.19 0.00 0.00 2.04 -0.68 -2.01 117.51 118.59 1n5u h ILE 290 Ca 0.03 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 1n5u h ILE 290 Cb 1.01 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1n5u h ILE 290 CO 0.10 0.27 -0.10 0.00 0.00 0.00 0.00 178.15 178.41 1n5u h ALA 291 N 1.55 1.20 -0.37 1.87 0.00 -0.74 -2.50 119.26 120.27 1n5u h ALA 291 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n5u h ALA 291 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1n5u h ALA 291 CO 0.02 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.79 1n5u n GLU 292 N -3.50 2.34 -1.90 0.00 1.02 -0.79 -5.00 120.64 112.83 1n5u n GLU 292 Ca -0.01 -2.11 -0.41 0.00 -0.02 0.00 0.00 57.16 54.61 1n5u n GLU 292 Cb 0.24 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.25 1n5u n GLU 292 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1n5u s VAL 293 N -1.17 2.28 0.65 2.62 0.11 -0.94 -4.96 120.40 118.98 1n5u s VAL 293 Ca 0.32 0.27 -0.15 0.00 -2.93 0.00 0.00 61.98 59.48 1n5u s VAL 293 Cb 0.18 -3.17 -0.00 0.00 -1.53 0.00 0.00 36.38 31.86 1n5u s VAL 293 CO 0.24 0.06 1.11 -1.83 -3.33 0.00 0.00 175.10 171.35 1n5u s GLU 294 N -1.55 2.85 0.38 1.54 -1.05 -1.26 -4.95 118.70 114.67 1n5u s GLU 294 Ca 0.54 1.38 -0.26 0.00 -0.15 0.00 0.00 54.97 56.48 1n5u s GLU 294 Cb -0.45 -1.96 -0.11 0.00 -0.44 0.00 0.00 34.13 31.17 1n5u s GLU 294 CO 0.56 -1.21 1.17 0.09 0.95 0.00 0.00 175.26 176.82 1n5u n ASN 295 N -2.37 2.11 -4.81 0.83 5.03 -1.26 -4.95 115.26 109.84 1n5u n ASN 295 Ca 0.10 1.12 -0.30 0.00 0.87 0.00 0.00 54.58 56.37 1n5u n ASN 295 Cb 0.52 -1.43 0.07 0.00 -1.02 0.00 0.00 39.78 37.92 1n5u n ASN 295 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1n5u s ASP 296 N -0.53 4.84 0.26 6.41 2.15 0.12 -4.98 116.67 124.94 1n5u s ASP 296 Ca 0.60 1.47 -0.30 0.00 0.43 0.00 0.00 52.55 54.75 1n5u s ASP 296 Cb -0.56 -2.26 -0.09 0.00 -0.30 0.00 0.00 42.92 39.71 1n5u s ASP 296 CO 0.59 -1.77 1.09 -1.61 -0.17 0.00 0.00 175.17 173.30 1n5u s GLU 297 N -5.09 4.64 0.59 4.34 0.41 -1.26 -4.71 118.70 117.63 1n5u s GLU 297 Ca 0.60 1.77 -0.14 0.00 -0.41 0.00 0.00 54.97 56.79 1n5u s GLU 297 Cb -0.14 -3.21 -0.04 0.00 -1.78 0.00 0.00 34.13 28.95 1n5u s GLU 297 CO 0.55 0.20 1.03 0.00 -0.49 0.00 0.00 175.26 176.55 1n5u s MET 298 N -1.23 3.49 0.49 1.61 0.23 -1.26 -4.61 119.30 118.02 1n5u s MET 298 Ca 0.45 1.00 -0.23 0.00 -1.03 0.00 0.00 55.69 55.88 1n5u s MET 298 Cb -0.31 -2.06 -0.07 0.00 -1.53 0.00 0.00 34.83 30.85 1n5u s MET 298 CO 0.39 -0.65 1.24 -2.30 -2.03 0.00 0.00 175.02 171.67 1n5u n PRO 299 N -2.22 1.67 -2.01 3.16 -0.02 -1.26 -4.93 135.00 129.39 1n5u n PRO 299 Ca 0.07 0.61 -0.39 0.00 -2.02 0.00 0.00 63.50 61.77 1n5u n PRO 299 Cb 0.54 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1n5u n PRO 299 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n5u s ALA 300 N -1.28 3.16 -0.26 3.55 0.00 -1.26 -4.12 121.76 121.55 1n5u s ALA 300 Ca 0.67 1.24 -0.04 0.00 0.00 0.00 0.00 51.96 53.82 1n5u s ALA 300 Cb -0.47 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.16 1n5u s ALA 300 CO 0.53 -0.93 0.23 -3.47 0.00 0.00 0.00 175.76 172.13 1n5u n ASP 301 N -0.15 -1.83 -4.78 0.00 -0.08 -1.26 -4.89 116.55 103.55 1n5u n ASP 301 Ca 0.05 -0.28 -0.37 0.00 -1.51 0.00 0.00 54.79 52.69 1n5u n ASP 301 Cb 0.44 -0.59 -0.05 0.00 2.34 0.00 0.00 41.12 43.27 1n5u n ASP 301 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1n5u s LEU 302 N -2.46 4.24 0.89 -2.67 1.43 -1.26 -5.02 118.68 113.84 1n5u s LEU 302 Ca 0.04 1.99 -0.11 0.00 -1.03 0.00 0.00 54.13 55.02 1n5u s LEU 302 Cb -0.00 -4.08 0.13 0.00 0.03 0.00 0.00 46.19 42.26 1n5u s LEU 302 CO 0.33 -0.32 1.09 -2.16 0.23 0.00 0.00 176.35 175.52 1n5u s PRO 303 N -2.26 1.26 0.64 1.29 0.04 -1.26 -5.00 135.00 129.71 1n5u s PRO 303 Ca 0.54 0.92 -0.14 0.00 0.04 0.00 0.00 61.00 62.36 1n5u s PRO 303 Cb -0.22 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 1n5u s PRO 303 CO 0.27 -2.27 1.07 -1.54 0.04 0.00 0.00 177.00 174.58 1n5u s SER 304 N -3.31 5.48 0.00 6.66 1.04 -1.26 -4.93 113.70 117.38 1n5u s SER 304 Ca 0.64 1.80 0.28 0.00 0.48 0.00 0.00 55.95 59.14 1n5u s SER 304 Cb -0.19 -2.53 1.28 0.00 0.10 0.00 0.00 66.02 64.69 1n5u s SER 304 CO 0.57 -1.37 1.92 0.18 0.98 0.00 0.00 173.24 175.51 1n5u n LEU 305 N -2.46 0.00 -0.24 2.42 4.32 -1.26 -3.85 117.00 115.93 1n5u n LEU 305 Ca 0.09 0.39 0.02 0.00 -0.02 0.00 0.00 56.01 56.49 1n5u n LEU 305 Cb 0.53 -0.39 0.15 0.00 -1.62 0.00 0.00 43.42 42.08 1n5u n LEU 305 CO 0.50 -0.03 1.04 0.00 -1.22 0.00 0.00 177.39 177.68 1n5u h ALA 306 N 3.13 0.97 -0.11 -1.18 0.00 -1.94 -0.58 119.26 119.55 1n5u h ALA 306 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1n5u h ALA 306 Cb 0.36 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1n5u h ALA 306 CO 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 179.25 178.98 1n5u h ALA 307 N 1.46 -0.08 0.00 0.00 0.00 -1.96 0.39 119.26 119.07 1n5u h ALA 307 Ca 0.36 0.04 -0.24 0.00 0.00 0.00 0.00 54.91 55.08 1n5u h ALA 307 Cb 0.45 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1n5u h ALA 307 CO -0.32 -0.61 -1.36 -0.44 0.00 0.00 0.00 179.25 176.53 1n5u h ASP 308 N -0.19 0.00 -0.22 0.00 3.45 -1.79 0.32 116.42 117.98 1n5u h ASP 308 Ca 0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1n5u h ASP 308 Cb 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 1n5u h ASP 308 CO -0.23 0.92 0.00 0.49 -1.57 0.00 0.00 179.24 178.86 1n5u n PHE 309 N -3.14 0.28 0.00 4.55 3.01 -0.24 -4.57 117.46 117.34 1n5u n PHE 309 Ca -0.09 -0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.14 1n5u n PHE 309 Cb 0.97 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.43 1n5u n PHE 309 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1n5u n VAL 310 N 0.81 0.00 0.12 -4.37 0.31 -0.32 -4.95 118.33 109.93 1n5u n VAL 310 Ca 0.11 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.23 1n5u n VAL 310 Cb 0.41 -0.18 -0.15 0.00 -0.91 0.00 0.00 33.84 33.01 1n5u n VAL 310 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1n5u h GLU 311 N 0.00 0.44 -6.61 5.55 4.39 -0.37 -3.46 114.58 114.51 1n5u h GLU 311 Ca 0.00 -0.75 -0.59 0.00 0.34 0.00 0.00 59.36 58.37 1n5u h GLU 311 Cb 0.00 0.28 0.11 0.00 -0.10 0.00 0.00 28.75 29.04 1n5u h GLU 311 CO 0.00 1.35 0.31 0.45 -1.16 0.00 0.00 179.01 179.96 1n5u n SER 312 N -3.63 1.98 0.23 1.42 2.88 0.10 -4.87 113.62 111.73 1n5u n SER 312 Ca -0.16 1.19 0.13 0.00 -1.33 0.00 0.00 58.87 58.69 1n5u n SER 312 Cb 1.08 -1.38 0.36 0.00 -0.75 0.00 0.00 64.21 63.52 1n5u n SER 312 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1n5u h LYS 313 N 2.22 0.00 -0.45 -1.46 3.64 -1.90 -3.18 116.57 115.44 1n5u h LYS 313 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1n5u h LYS 313 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1n5u h LYS 313 CO 0.61 0.07 0.00 -0.25 -2.27 0.00 0.00 179.45 177.61 1n5u n ASP 314 N -3.14 2.21 0.18 4.20 10.43 -1.26 -4.58 116.55 124.59 1n5u n ASP 314 Ca 0.02 -2.10 -0.17 0.00 2.57 0.00 0.00 54.79 55.12 1n5u n ASP 314 Cb 0.46 -0.31 -0.09 0.00 1.84 0.00 0.00 41.12 43.02 1n5u n ASP 314 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1n5u h VAL 315 N 2.06 0.04 -0.59 2.53 2.07 -1.84 0.33 116.25 120.85 1n5u h VAL 315 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1n5u h VAL 315 Cb 0.64 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1n5u h VAL 315 CO 0.05 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.77 1n5u h LYS 317 N 0.88 0.31 -0.50 0.00 3.64 -1.79 0.83 116.57 119.93 1n5u h LYS 317 Ca 0.19 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 1n5u h LYS 317 Cb 0.34 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1n5u h LYS 317 CO 0.00 0.37 -0.04 -0.91 -2.27 0.00 0.00 179.45 176.60 1n5u h ASN 318 N 0.18 0.85 0.08 4.20 2.35 -0.13 -2.72 115.58 120.40 1n5u h ASN 318 Ca 0.07 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1n5u h ASN 318 Cb 0.17 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1n5u h ASN 318 CO -0.01 0.94 -0.04 0.22 -1.65 0.00 0.00 177.43 176.90 1n5u h TYR 319 N 0.80 -0.11 -0.35 1.19 5.03 -0.81 -3.26 116.97 119.47 1n5u h TYR 319 Ca 0.14 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.45 1n5u h TYR 319 Cb 0.54 0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.84 1n5u h TYR 319 CO 0.03 0.28 0.22 0.00 -1.32 0.00 0.00 178.16 177.37 1n5u h ALA 320 N 0.35 1.73 -0.13 1.82 0.00 -0.84 0.06 119.26 122.26 1n5u h ALA 320 Ca -0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1n5u h ALA 320 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1n5u h ALA 320 CO 0.02 0.24 -0.20 1.49 0.00 0.00 0.00 179.25 180.80 1n5u h GLU 321 N 0.47 0.21 -0.88 0.00 4.81 -1.53 -3.38 114.58 114.30 1n5u h GLU 321 Ca 0.13 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 1n5u h GLU 321 Cb -0.03 -0.02 -0.16 0.00 0.63 0.00 0.00 28.75 29.16 1n5u h GLU 321 CO -0.03 0.41 -0.46 0.00 -0.73 0.00 0.00 179.01 178.21 1n5u n ALA 322 N -2.49 -2.05 -0.02 2.92 0.00 -1.02 -5.07 120.51 112.79 1n5u n ALA 322 Ca -0.01 -0.94 -0.10 0.00 0.00 0.00 0.00 53.44 52.39 1n5u n ALA 322 Cb 0.31 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.07 1n5u n ALA 322 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1n5u h LYS 323 N 4.87 -0.34 -0.46 0.00 1.57 -1.18 -0.57 116.57 120.45 1n5u h LYS 323 Ca 0.04 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1n5u h LYS 323 Cb 1.11 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1n5u h LYS 323 CO 0.01 -0.23 0.19 -0.44 -0.57 0.00 0.00 179.45 178.41 1n5u h ASP 324 N -0.36 0.59 -0.38 0.86 3.32 -1.98 0.71 116.42 119.19 1n5u h ASP 324 Ca 0.11 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1n5u h ASP 324 Cb 0.53 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1n5u h ASP 324 CO -0.37 0.54 -0.15 0.58 -1.72 0.00 0.00 179.24 178.12 1n5u h VAL 325 N 0.65 1.28 -0.32 -1.35 2.07 -1.81 0.10 116.25 116.89 1n5u h VAL 325 Ca 0.16 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 1n5u h VAL 325 Cb 0.13 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1n5u h VAL 325 CO -0.02 0.42 0.02 0.15 0.02 0.00 0.00 177.57 178.16 1n5u h PHE 326 N 0.57 0.59 -0.42 1.57 3.57 -0.62 -0.73 116.94 121.47 1n5u h PHE 326 Ca 0.09 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1n5u h PHE 326 Cb 0.68 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1n5u h PHE 326 CO 0.05 0.66 0.02 -0.07 -2.23 0.00 0.00 178.31 176.74 1n5u h LEU 327 N 0.36 0.63 -0.95 0.59 3.38 -0.83 -0.75 115.31 117.73 1n5u h LEU 327 Ca 0.09 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1n5u h LEU 327 Cb 0.41 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1n5u h LEU 327 CO 0.01 0.69 0.23 1.23 0.09 0.00 0.00 178.44 180.69 1n5u h GLY 328 N 0.91 1.06 1.05 0.83 0.00 -0.42 -0.02 103.07 106.48 1n5u h GLY 328 Ca 0.13 -0.58 -0.11 0.00 0.00 0.00 0.00 47.33 46.77 1n5u h GLY 328 CO 0.01 0.55 -0.11 -0.33 0.00 0.00 0.00 176.54 176.66 1n5u h MET 329 N 0.96 0.92 -0.09 4.80 2.86 -0.33 0.68 114.93 124.74 1n5u h MET 329 Ca 0.22 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1n5u h MET 329 Cb 0.24 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1n5u h MET 329 CO -0.01 1.01 0.04 0.35 1.06 0.00 0.00 176.91 179.36 1n5u h PHE 330 N 0.77 0.08 -0.82 -0.22 3.57 -0.74 -0.34 116.94 119.24 1n5u h PHE 330 Ca 0.12 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1n5u h PHE 330 Cb 0.67 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 1n5u h PHE 330 CO 0.05 0.05 0.35 1.25 -2.23 0.00 0.00 178.31 177.78 1n5u h LEU 331 N 0.09 1.11 -0.58 0.59 5.85 -0.83 -0.27 115.31 121.28 1n5u h LEU 331 Ca 0.03 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 1n5u h LEU 331 Cb 0.00 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1n5u h LEU 331 CO -0.02 0.96 0.11 0.22 -0.34 0.00 0.00 178.44 179.37 1n5u h TYR 332 N 1.19 1.00 -0.36 1.25 5.03 -0.55 0.11 116.97 124.63 1n5u h TYR 332 Ca 0.28 -0.13 -0.13 0.00 2.58 0.00 0.00 58.73 61.32 1n5u h TYR 332 Cb 0.18 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.18 1n5u h TYR 332 CO 0.02 0.87 -0.30 0.93 -1.32 0.00 0.00 178.16 178.36 1n5u h GLU 333 N 0.85 0.84 -0.33 1.82 4.39 -0.77 -1.43 114.58 119.95 1n5u h GLU 333 Ca 0.18 -0.42 -0.12 0.00 0.34 0.00 0.00 59.36 59.34 1n5u h GLU 333 Cb 0.39 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1n5u h GLU 333 CO 0.01 1.06 -0.25 -0.92 -1.16 0.00 0.00 179.01 177.75 1n5u h TYR 334 N 0.64 0.89 -0.30 4.33 5.03 -0.95 -3.20 116.97 123.41 1n5u h TYR 334 Ca 0.07 -0.25 -0.13 0.00 2.58 0.00 0.00 58.73 61.00 1n5u h TYR 334 Cb 0.88 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.96 1n5u h TYR 334 CO 0.06 1.00 -0.31 0.00 -1.32 0.00 0.00 178.16 177.59 1n5u h ALA 335 N 0.75 0.44 -0.11 1.82 0.00 -0.77 -2.32 119.26 119.08 1n5u h ALA 335 Ca 0.06 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1n5u h ALA 335 Cb 0.81 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1n5u h ALA 335 CO 0.07 0.47 0.08 0.07 0.00 0.00 0.00 179.25 179.94 1n5u h ARG 336 N 0.49 0.00 0.00 0.00 0.11 -1.34 0.30 114.38 113.94 1n5u h ARG 336 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1n5u h ARG 336 Cb 0.88 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.96 1n5u h ARG 336 CO 0.08 0.00 -0.55 0.54 0.10 0.00 0.00 179.97 180.14 1n5u n ARG 337 N -4.42 0.29 -3.34 0.08 1.74 -1.15 -4.58 116.66 105.29 1n5u n ARG 337 Ca -0.00 0.11 -0.26 0.00 -0.77 0.00 0.00 57.85 56.93 1n5u n ARG 337 Cb 0.20 -1.71 -0.08 0.00 -1.02 0.00 0.00 32.46 29.85 1n5u n ARG 337 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1n5u n HIS 338 N -2.14 1.65 0.75 -1.55 8.25 0.09 -4.83 115.22 117.45 1n5u n HIS 338 Ca 0.04 -3.86 0.09 0.00 -0.26 0.00 0.00 57.72 53.72 1n5u n HIS 338 Cb 0.44 -0.43 0.42 0.00 1.12 0.00 0.00 29.99 31.54 1n5u n HIS 338 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1n5u n PRO 339 N 1.23 0.15 0.00 -0.41 -0.04 -1.24 -1.97 135.00 132.71 1n5u n PRO 339 Ca 0.26 0.15 0.14 0.00 -0.04 0.00 0.00 63.50 64.01 1n5u n PRO 339 Cb 0.46 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 33.03 1n5u n PRO 339 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1n5u n ASP 340 N -1.38 0.82 -4.93 3.54 3.85 -1.26 -4.77 116.55 112.43 1n5u n ASP 340 Ca 0.07 -1.01 -0.27 0.00 -0.71 0.00 0.00 54.79 52.87 1n5u n ASP 340 Cb 0.17 -0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 39.91 1n5u n ASP 340 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1n5u s TYR 341 N -2.23 3.47 0.58 2.11 4.12 -0.83 -4.36 117.35 120.21 1n5u s TYR 341 Ca 0.35 0.12 -0.15 0.00 0.02 0.00 0.00 57.07 57.41 1n5u s TYR 341 Cb 0.21 -1.67 -0.04 0.00 -1.52 0.00 0.00 41.96 38.93 1n5u s TYR 341 CO 0.42 0.53 1.04 -1.54 0.02 0.00 0.00 175.55 176.01 1n5u s SER 342 N -3.13 5.97 0.16 2.29 1.04 -1.26 -4.45 113.70 114.31 1n5u s SER 342 Ca 0.34 1.73 -0.14 0.00 0.48 0.00 0.00 55.95 58.36 1n5u s SER 342 Cb -0.11 -2.52 0.05 0.00 0.10 0.00 0.00 66.02 63.54 1n5u s SER 342 CO 0.28 -1.04 1.77 0.58 0.98 0.00 0.00 173.24 175.81 1n5u h VAL 343 N 0.43 1.18 -0.24 5.02 2.07 -1.94 -2.53 116.25 120.23 1n5u h VAL 343 Ca -0.46 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 66.61 1n5u h VAL 343 Cb 1.21 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1n5u h VAL 343 CO 0.58 0.19 0.16 -0.37 0.02 0.00 0.00 177.57 178.16 1n5u h VAL 344 N 0.69 1.03 -0.26 2.57 -1.51 -1.94 -0.13 116.25 116.71 1n5u h VAL 344 Ca 0.18 -0.09 -0.02 0.00 -1.23 0.00 0.00 66.70 65.54 1n5u h VAL 344 Cb 0.06 0.73 -0.01 0.00 -2.13 0.00 0.00 31.29 29.94 1n5u h VAL 344 CO -0.03 0.05 0.10 0.25 -1.23 0.00 0.00 177.57 176.71 1n5u h LEU 345 N 0.27 0.36 -1.04 4.19 6.46 -1.81 -0.29 115.31 123.46 1n5u h LEU 345 Ca 0.09 -0.18 0.05 0.00 -0.12 0.00 0.00 57.88 57.73 1n5u h LEU 345 Cb 0.05 -0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 39.82 1n5u h LEU 345 CO -0.02 0.44 0.64 -0.07 -0.62 0.00 0.00 178.44 178.81 1n5u h LEU 346 N 0.26 1.04 -0.92 2.25 3.38 -0.88 -0.44 115.31 120.00 1n5u h LEU 346 Ca 0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1n5u h LEU 346 Cb 0.20 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1n5u h LEU 346 CO -0.01 0.69 -0.37 -0.07 0.09 0.00 0.00 178.44 178.77 1n5u h LEU 347 N 1.19 0.34 -0.78 1.67 3.38 -0.61 -0.88 115.31 119.62 1n5u h LEU 347 Ca 0.41 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 58.12 1n5u h LEU 347 Cb 0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1n5u h LEU 347 CO -0.15 0.69 -0.40 0.03 0.09 0.00 0.00 178.44 178.71 1n5u h ARG 348 N 0.28 0.45 -0.43 1.13 3.08 0.23 -0.35 114.38 118.78 1n5u h ARG 348 Ca 0.03 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.75 1n5u h ARG 348 Cb 0.79 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1n5u h ARG 348 CO 0.06 0.77 -0.18 -0.07 -1.07 0.00 0.00 179.97 179.49 1n5u h LEU 349 N 0.37 0.89 -0.54 3.04 3.38 -0.59 -1.01 115.31 120.86 1n5u h LEU 349 Ca 0.03 -0.39 -0.11 0.00 0.09 0.00 0.00 57.88 57.51 1n5u h LEU 349 Cb 0.86 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1n5u h LEU 349 CO 0.07 1.09 -0.08 0.00 0.09 0.00 0.00 178.44 179.61 1n5u h ALA 350 N 0.84 0.74 -0.63 1.53 0.00 -1.01 -0.27 119.26 120.46 1n5u h ALA 350 Ca 0.10 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1n5u h ALA 350 Cb 0.73 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1n5u h ALA 350 CO 0.06 0.63 0.09 -0.22 0.00 0.00 0.00 179.25 179.81 1n5u h LYS 351 N 0.88 1.03 -0.44 0.00 3.11 -0.97 0.17 116.57 120.36 1n5u h LYS 351 Ca 0.14 -0.27 -0.03 0.00 -2.81 0.00 0.00 60.65 57.69 1n5u h LYS 351 Cb 0.64 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.73 1n5u h LYS 351 CO 0.04 0.95 0.16 1.15 -2.81 0.00 0.00 179.45 178.95 1n5u h THR 352 N 0.97 1.21 -0.57 1.00 2.02 -0.89 0.31 112.91 116.96 1n5u h THR 352 Ca 0.19 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 1n5u h THR 352 Cb 0.43 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1n5u h THR 352 CO 0.01 0.24 0.28 0.22 0.37 0.00 0.00 175.52 176.64 1n5u h TYR 353 N 0.57 0.80 0.12 3.16 5.03 -0.60 -1.66 116.97 124.38 1n5u h TYR 353 Ca 0.14 -0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.43 1n5u h TYR 353 Cb 0.21 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.23 1n5u h TYR 353 CO 0.00 0.61 -0.14 1.49 -1.32 0.00 0.00 178.16 178.81 1n5u h GLU 354 N 0.76 -0.28 -0.78 1.82 4.81 -0.25 -0.56 114.58 120.10 1n5u h GLU 354 Ca 0.20 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.53 1n5u h GLU 354 Cb 0.10 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.48 1n5u h GLU 354 CO -0.03 -0.19 0.44 1.15 -0.73 0.00 0.00 179.01 179.66 1n5u h THR 355 N -0.29 0.93 -0.39 0.32 2.02 -0.75 0.16 112.91 114.91 1n5u h THR 355 Ca 0.01 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 1n5u h THR 355 Cb 0.29 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1n5u h THR 355 CO -0.05 0.14 -0.00 0.71 0.37 0.00 0.00 175.52 176.69 1n5u h THR 356 N 0.77 1.26 -0.53 3.16 1.35 -0.96 -1.39 112.91 116.57 1n5u h THR 356 Ca 0.37 -1.01 -0.08 0.00 -0.55 0.00 0.00 66.41 65.14 1n5u h THR 356 Cb 0.30 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 1n5u h THR 356 CO -0.22 0.34 0.01 -0.07 -0.25 0.00 0.00 175.52 175.32 1n5u h LEU 357 N 0.51 0.91 -1.35 3.87 4.07 -0.64 0.52 115.31 123.20 1n5u h LEU 357 Ca 0.11 -0.30 -0.00 0.00 0.08 0.00 0.00 57.88 57.76 1n5u h LEU 357 Cb 0.47 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.94 1n5u h LEU 357 CO 0.02 0.99 0.38 -0.33 -1.08 0.00 0.00 178.44 178.42 1n5u h GLU 358 N 0.80 0.82 0.05 1.13 4.39 -0.54 0.34 114.58 121.58 1n5u h GLU 358 Ca 0.15 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1n5u h GLU 358 Cb 0.52 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1n5u h GLU 358 CO 0.03 0.57 -0.03 -0.22 -1.16 0.00 0.00 179.01 178.20 1n5u h LYS 359 N 0.84 -0.07 -0.58 2.33 3.64 -0.89 -3.38 116.57 118.46 1n5u h LYS 359 Ca 0.22 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1n5u h LYS 359 Cb -0.05 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1n5u h LYS 359 CO -0.04 0.27 0.21 0.00 -2.27 0.00 0.00 179.45 177.61 1n5u n ALA 362 N -1.85 3.08 -2.05 0.00 0.00 -1.11 -4.87 120.51 113.71 1n5u n ALA 362 Ca -0.01 -0.43 -0.31 0.00 0.00 0.00 0.00 53.44 52.69 1n5u n ALA 362 Cb 0.08 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 1n5u n ALA 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n5u s ALA 363 N -2.45 3.24 0.28 0.00 0.00 0.89 -4.97 121.76 118.74 1n5u s ALA 363 Ca 0.25 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1n5u s ALA 363 Cb 0.19 -2.87 0.56 0.00 0.00 0.00 0.00 23.12 21.01 1n5u s ALA 363 CO 0.51 -0.21 1.83 0.00 0.00 0.00 0.00 175.76 177.89 1n5u h ALA 364 N 0.83 1.50 -2.79 0.00 0.00 -1.91 -3.28 119.26 113.61 1n5u h ALA 364 Ca -0.47 0.03 -0.60 0.00 0.00 0.00 0.00 54.91 53.87 1n5u h ALA 364 Cb 1.19 -0.19 -0.40 0.00 0.00 0.00 0.00 17.79 18.40 1n5u h ALA 364 CO 0.63 0.18 -0.78 0.34 0.00 0.00 0.00 179.25 179.62 1n5u s ASP 365 N -5.65 3.19 0.20 0.00 3.68 -1.26 -5.03 116.67 111.80 1n5u s ASP 365 Ca -0.12 -3.00 -0.21 0.00 2.13 0.00 0.00 52.55 51.35 1n5u s ASP 365 Cb 0.22 -0.94 0.14 0.00 -1.45 0.00 0.00 42.92 40.90 1n5u s ASP 365 CO 0.81 -0.20 1.57 -0.65 0.13 0.00 0.00 175.17 176.82 1n5u h PRO 366 N 6.13 -0.10 -0.85 4.34 0.11 -1.70 -2.69 132.00 137.24 1n5u h PRO 366 Ca 0.11 0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.35 1n5u h PRO 366 Cb 0.89 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 31.94 1n5u h PRO 366 CO 0.48 -0.07 0.47 1.25 -0.21 0.00 0.00 178.00 179.93 1n5u h HIS 367 N -0.11 0.85 -0.39 0.65 -0.00 -1.94 0.18 115.15 114.39 1n5u h HIS 367 Ca 0.26 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.65 1n5u h HIS 367 Cb 0.56 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.70 1n5u h HIS 367 CO -0.76 0.29 0.17 1.49 -0.00 0.00 0.00 177.93 179.11 1n5u h GLU 368 N 0.74 0.54 0.04 5.26 4.57 -1.91 0.51 114.58 124.33 1n5u h GLU 368 Ca 0.44 -0.06 -0.27 0.00 -1.18 0.00 0.00 59.36 58.28 1n5u h GLU 368 Cb 0.50 -0.11 0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1n5u h GLU 368 CO -0.30 0.44 -1.10 0.00 -1.18 0.00 0.00 179.01 176.87 1n5u n TYR 370 N -3.81 0.32 -0.32 0.00 0.18 -0.48 -4.64 117.16 108.40 1n5u n TYR 370 Ca -0.11 -0.21 0.22 0.00 1.88 0.00 0.00 57.90 59.67 1n5u n TYR 370 Cb 0.91 -0.01 0.49 0.00 -0.38 0.00 0.00 39.34 40.36 1n5u n TYR 370 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1n5u h ALA 371 N 3.42 2.17 -0.53 -3.48 0.00 -1.03 -1.24 119.26 118.57 1n5u h ALA 371 Ca 0.00 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 1n5u h ALA 371 Cb 0.80 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 1n5u h ALA 371 CO 0.00 -0.57 0.14 1.63 0.00 0.00 0.00 179.25 180.45 1n5u n LYS 372 N -4.64 2.85 -0.32 0.00 5.02 -1.26 -4.69 118.16 115.12 1n5u n LYS 372 Ca 0.25 -3.05 0.09 0.00 -2.02 0.00 0.00 58.31 53.58 1n5u n LYS 372 Cb 0.84 -2.00 0.29 0.00 -0.02 0.00 0.00 35.03 34.14 1n5u n LYS 372 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1n5u h VAL 373 N 1.81 0.90 0.00 -0.18 3.04 -1.54 0.07 116.25 120.35 1n5u h VAL 373 Ca 0.22 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1n5u h VAL 373 Cb 1.96 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 1n5u h VAL 373 CO 0.54 0.16 0.00 -0.26 -1.01 0.00 0.00 177.57 177.00 1n5u h PHE 374 N 0.88 0.00 -0.09 3.17 -1.00 -1.83 0.42 116.94 118.49 1n5u h PHE 374 Ca 0.47 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 61.08 1n5u h PHE 374 Cb 0.55 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.10 1n5u h PHE 374 CO -0.00 0.00 -0.65 -0.44 -1.61 0.00 0.00 178.31 175.61 1n5u h ASP 375 N 0.00 0.41 0.69 2.17 5.19 -1.35 -2.84 116.42 120.69 1n5u h ASP 375 Ca 0.00 -0.25 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 1n5u h ASP 375 Cb 0.04 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.43 1n5u h ASP 375 CO 0.00 0.95 0.00 -0.33 -3.12 0.00 0.00 179.24 176.74 1n5u h GLU 376 N 0.25 0.00 0.04 3.56 5.08 -0.99 -2.99 114.58 119.53 1n5u h GLU 376 Ca -0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 1n5u h GLU 376 Cb 1.19 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.47 1n5u h GLU 376 CO 0.11 0.00 -1.12 0.74 -1.00 0.00 0.00 179.01 177.74 1n5u h PHE 377 N 0.00 1.04 -0.59 4.33 0.05 -1.52 -3.38 116.94 116.86 1n5u h PHE 377 Ca 0.00 -0.60 0.09 0.00 3.82 0.00 0.00 57.97 61.28 1n5u h PHE 377 Cb 0.35 -0.11 -0.11 0.00 2.00 0.00 0.00 35.95 38.08 1n5u h PHE 377 CO 0.00 1.43 -0.43 -0.22 -0.18 0.00 0.00 178.31 178.92 1n5u h LYS 378 N 0.35 -0.21 -0.28 1.51 3.64 -1.59 -0.89 116.57 119.10 1n5u h LYS 378 Ca -0.15 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1n5u h LYS 378 Cb 1.78 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.63 1n5u h LYS 378 CO 0.22 -0.14 0.09 -1.00 -2.27 0.00 0.00 179.45 176.35 1n5u h PRO 379 N -0.21 0.40 -0.31 1.90 0.13 -1.76 -0.08 132.00 132.07 1n5u h PRO 379 Ca 0.19 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.22 1n5u h PRO 379 Cb 0.56 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1n5u h PRO 379 CO -0.70 0.36 -0.00 -0.07 -0.23 0.00 0.00 178.00 177.36 1n5u h LEU 380 N 0.40 0.54 -0.35 1.56 3.38 -1.38 -2.46 115.31 117.00 1n5u h LEU 380 Ca 0.10 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 1n5u h LEU 380 Cb 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1n5u h LEU 380 CO -0.01 0.72 -0.18 0.58 0.09 0.00 0.00 178.44 179.65 1n5u h VAL 381 N 0.35 1.29 -0.21 1.22 2.07 -0.86 -3.26 116.25 116.84 1n5u h VAL 381 Ca 0.09 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.26 1n5u h VAL 381 Cb 0.44 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1n5u h VAL 381 CO 0.02 0.43 -0.11 -0.08 0.02 0.00 0.00 177.57 177.84 1n5u h GLU 382 N 0.52 0.34 -0.01 1.57 4.81 -0.99 -3.04 114.58 117.79 1n5u h GLU 382 Ca 0.08 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1n5u h GLU 382 Cb 0.72 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 1n5u h GLU 382 CO 0.05 0.45 -0.18 1.49 -0.73 0.00 0.00 179.01 180.10 1n5u h GLU 383 N 0.32 -0.28 -0.48 1.92 4.22 -1.48 0.35 114.58 119.14 1n5u h GLU 383 Ca 0.06 0.02 -0.12 0.00 0.08 0.00 0.00 59.36 59.41 1n5u h GLU 383 Cb 0.39 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1n5u h GLU 383 CO 0.02 -0.19 -0.15 -1.35 -2.18 0.00 0.00 179.01 175.16 1n5u h PRO 384 N -0.29 0.96 -0.29 0.92 0.11 -1.72 -1.31 132.00 130.37 1n5u h PRO 384 Ca 0.06 -0.38 0.03 0.00 0.11 0.00 0.00 66.00 65.82 1n5u h PRO 384 Cb 0.37 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 1n5u h PRO 384 CO -0.18 1.05 0.09 1.96 -0.21 0.00 0.00 178.00 180.71 1n5u h GLN 385 N 0.81 0.20 -0.36 1.05 4.20 -1.34 0.58 115.11 120.25 1n5u h GLN 385 Ca 0.12 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.68 1n5u h GLN 385 Cb 0.72 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1n5u h GLN 385 CO 0.05 0.13 -0.34 -0.91 -0.67 0.00 0.00 178.83 177.10 1n5u h ASN 386 N 0.21 0.85 -0.44 1.46 2.35 -0.26 -1.84 115.58 117.91 1n5u h ASN 386 Ca 0.13 -0.36 -0.03 0.00 -0.55 0.00 0.00 56.30 55.49 1n5u h ASN 386 Cb 0.11 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1n5u h ASN 386 CO -0.14 1.11 0.18 0.25 -1.65 0.00 0.00 177.43 177.18 1n5u h LEU 387 N 0.67 0.64 -0.17 1.61 5.85 -0.78 0.13 115.31 123.27 1n5u h LEU 387 Ca 0.07 -0.08 -0.22 0.00 0.84 0.00 0.00 57.88 58.49 1n5u h LEU 387 Cb 0.89 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.76 1n5u h LEU 387 CO 0.08 0.59 -0.78 0.16 -0.34 0.00 0.00 178.44 178.16 1n5u h ILE 388 N 0.70 1.28 0.05 4.05 -0.00 -0.72 -2.13 117.51 120.73 1n5u h ILE 388 Ca 0.17 -1.97 -0.00 0.00 -0.00 0.00 0.00 64.86 63.05 1n5u h ILE 388 Cb 0.16 1.98 0.00 0.00 -0.00 0.00 0.00 36.82 38.95 1n5u h ILE 388 CO -0.01 0.63 -0.02 0.11 -0.00 0.00 0.00 178.15 178.85 1n5u h LYS 389 N 0.54 -0.06 -0.52 0.16 1.57 -0.75 0.12 116.57 117.63 1n5u h LYS 389 Ca -0.05 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1n5u h LYS 389 Cb 1.40 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.70 1n5u h LYS 389 CO 0.16 0.01 0.05 -0.56 -0.57 0.00 0.00 179.45 178.54 1n5u h GLN 390 N -0.11 0.83 -0.15 3.15 3.07 -1.04 0.04 115.11 120.90 1n5u h GLN 390 Ca -0.01 -0.21 -0.22 0.00 0.09 0.00 0.00 58.65 58.31 1n5u h GLN 390 Cb 0.10 -0.11 0.01 0.00 0.08 0.00 0.00 27.48 27.56 1n5u h GLN 390 CO 0.01 0.80 -0.77 -0.91 0.09 0.00 0.00 178.83 178.05 1n5u h ASN 391 N 0.79 0.95 0.36 0.06 4.21 -1.18 -0.60 115.58 120.16 1n5u h ASN 391 Ca 0.16 -0.63 -0.13 0.00 1.21 0.00 0.00 56.30 56.92 1n5u h ASN 391 Cb 0.40 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 1n5u h ASN 391 CO 0.01 1.42 -0.53 0.00 -1.29 0.00 0.00 177.43 177.05 1n5u h GLU 393 N 0.15 0.74 -0.33 0.00 5.08 -0.94 -0.85 114.58 118.43 1n5u h GLU 393 Ca 0.00 -0.49 -0.06 0.00 -1.00 0.00 0.00 59.36 57.81 1n5u h GLU 393 Cb 0.98 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1n5u h GLU 393 CO 0.08 1.11 -0.04 1.25 -1.00 0.00 0.00 179.01 180.41 1n5u h LEU 394 N 0.55 0.60 -0.52 1.33 6.46 -0.86 -2.74 115.31 120.13 1n5u h LEU 394 Ca 0.00 -0.34 -0.01 0.00 -0.12 0.00 0.00 57.88 57.42 1n5u h LEU 394 Cb 1.18 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.92 1n5u h LEU 394 CO 0.12 0.80 0.30 0.15 -0.62 0.00 0.00 178.44 179.19 1n5u h PHE 395 N 0.39 0.69 0.00 1.25 3.57 -0.79 -1.04 116.94 121.01 1n5u h PHE 395 Ca 0.09 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1n5u h PHE 395 Cb 0.51 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 1n5u h PHE 395 CO 0.04 0.49 -0.05 1.49 -2.23 0.00 0.00 178.31 178.05 1n5u h GLU 396 N 0.69 0.00 -0.00 1.11 4.81 -1.08 0.14 114.58 120.25 1n5u h GLU 396 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1n5u h GLU 396 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1n5u h GLU 396 CO -0.03 0.05 -0.82 0.00 -0.73 0.00 0.00 179.01 177.48 1n5u n GLN 397 N -3.32 0.74 -0.04 1.92 10.64 -0.97 -4.63 117.38 121.72 1n5u n GLN 397 Ca -0.01 -0.19 -0.05 0.00 -1.83 0.00 0.00 57.00 54.92 1n5u n GLN 397 Cb 0.22 -1.42 -0.05 0.00 -0.86 0.00 0.00 30.24 28.13 1n5u n GLN 397 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1n5u n LEU 398 N -1.18 2.10 0.00 2.61 4.32 -0.43 -5.09 117.00 119.33 1n5u n LEU 398 Ca 0.05 -0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 1n5u n LEU 398 Cb 0.33 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 1n5u n LEU 398 CO 0.37 0.51 0.00 0.61 -1.22 0.00 0.00 177.39 177.66 1n5u n GLY 399 N 2.92 1.44 0.14 -0.72 0.00 0.43 -4.32 105.19 105.08 1n5u n GLY 399 Ca -0.15 -1.79 -0.06 0.00 0.00 0.00 0.00 46.02 44.03 1n5u n GLY 399 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n5u h GLU 400 N 0.00 0.14 0.39 1.61 4.81 -1.93 0.94 114.58 120.54 1n5u h GLU 400 Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1n5u h GLU 400 Cb 0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1n5u h GLU 400 CO 0.00 0.09 -0.19 -0.92 -0.73 0.00 0.00 179.01 177.26 1n5u h TYR 401 N 0.14 -0.49 -0.02 0.92 5.03 -1.96 -0.09 116.97 120.51 1n5u h TYR 401 Ca 0.15 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.40 1n5u h TYR 401 Cb 0.19 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 1n5u h TYR 401 CO -0.20 -0.23 -0.23 0.87 -1.32 0.00 0.00 178.16 177.05 1n5u h LYS 402 N -0.65 0.03 -0.28 1.82 1.57 -1.74 -1.79 116.57 115.53 1n5u h LYS 402 Ca -0.05 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1n5u h LYS 402 Cb 0.47 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1n5u h LYS 402 CO 0.09 0.26 0.07 0.35 -0.57 0.00 0.00 179.45 179.64 1n5u h PHE 403 N 0.02 0.47 -0.94 -1.35 3.57 -0.57 -1.28 116.94 116.87 1n5u h PHE 403 Ca 0.00 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.46 1n5u h PHE 403 Cb 0.42 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 1n5u h PHE 403 CO 0.00 0.52 0.62 1.96 -2.23 0.00 0.00 178.31 179.18 1n5u h GLN 404 N 0.28 1.21 -0.34 1.11 4.20 -0.38 -1.79 115.11 119.40 1n5u h GLN 404 Ca 0.09 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1n5u h GLN 404 Cb 0.29 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1n5u h GLN 404 CO 0.00 0.80 -0.04 -0.91 -0.67 0.00 0.00 178.83 178.02 1n5u h ASN 405 N 1.24 0.51 -0.47 1.46 -0.26 -0.99 0.31 115.58 117.37 1n5u h ASN 405 Ca 0.35 -0.11 -0.12 0.00 -0.56 0.00 0.00 56.30 55.87 1n5u h ASN 405 Cb -0.10 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.01 1n5u h ASN 405 CO -0.09 0.60 -0.16 0.00 -1.06 0.00 0.00 177.43 176.72 1n5u h ALA 406 N 1.46 0.77 -0.43 -0.83 0.00 -0.46 -1.93 119.26 117.83 1n5u h ALA 406 Ca 0.10 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 1n5u h ALA 406 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1n5u h ALA 406 CO 0.02 0.67 -0.30 -0.07 0.00 0.00 0.00 179.25 179.56 1n5u h LEU 407 N 0.85 1.01 -0.22 0.00 4.07 -0.73 -2.13 115.31 118.17 1n5u h LEU 407 Ca 0.12 -0.43 0.05 0.00 0.08 0.00 0.00 57.88 57.70 1n5u h LEU 407 Cb 0.72 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 42.14 1n5u h LEU 407 CO 0.06 1.23 -0.08 0.25 -1.08 0.00 0.00 178.44 178.81 1n5u h LEU 408 N 0.80 -0.29 -0.38 1.67 5.85 -0.14 0.13 115.31 122.95 1n5u h LEU 408 Ca 0.09 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 1n5u h LEU 408 Cb 0.89 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1n5u h LEU 408 CO 0.08 -0.11 -0.10 -0.37 -0.34 0.00 0.00 178.44 177.60 1n5u h VAL 409 N -0.05 1.28 -0.37 1.05 -1.51 -1.32 -1.44 116.25 113.89 1n5u h VAL 409 Ca 0.11 -1.18 0.01 0.00 -1.23 0.00 0.00 66.70 64.42 1n5u h VAL 409 Cb 0.22 1.25 -0.02 0.00 -2.13 0.00 0.00 31.29 30.60 1n5u h VAL 409 CO -0.25 0.39 0.22 -0.09 -1.23 0.00 0.00 177.57 176.61 1n5u h ARG 410 N 0.55 0.44 -0.09 5.19 2.43 -0.89 -2.07 114.38 119.94 1n5u h ARG 410 Ca 0.10 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 59.03 1n5u h ARG 410 Cb 0.62 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1n5u h ARG 410 CO 0.04 0.29 -0.80 1.88 -1.51 0.00 0.00 179.97 179.87 1n5u h TYR 411 N 0.45 0.77 -0.71 2.20 0.05 -0.76 -2.69 116.97 116.28 1n5u h TYR 411 Ca 0.15 -0.36 0.02 0.00 0.05 0.00 0.00 58.73 58.59 1n5u h TYR 411 Cb -0.00 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 37.58 1n5u h TYR 411 CO -0.07 1.15 0.46 1.15 -1.05 0.00 0.00 178.16 179.80 1n5u h THR 412 N 0.37 1.14 -0.29 -2.88 2.02 -1.16 0.15 112.91 112.26 1n5u h THR 412 Ca -0.05 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 1n5u h THR 412 Cb 1.40 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 1n5u h THR 412 CO 0.15 0.17 -0.00 0.11 0.37 0.00 0.00 175.52 176.31 1n5u h LYS 413 N 0.92 0.45 -0.04 6.66 1.57 -1.33 0.26 116.57 125.06 1n5u h LYS 413 Ca 0.27 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 1n5u h LYS 413 Cb -0.05 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.19 1n5u h LYS 413 CO -0.08 0.48 -0.37 0.87 -0.57 0.00 0.00 179.45 179.78 1n5u h LYS 414 N 0.43 0.32 -2.10 3.15 1.57 -0.92 -1.16 116.57 117.87 1n5u h LYS 414 Ca 0.10 -0.29 -0.56 0.00 -1.87 0.00 0.00 60.65 58.02 1n5u h LYS 414 Cb 0.29 0.07 -0.41 0.00 0.08 0.00 0.00 32.23 32.26 1n5u h LYS 414 CO 0.01 0.96 -0.89 1.33 -0.57 0.00 0.00 179.45 180.28 1n5u n VAL 415 N -4.39 0.89 0.33 0.50 0.24 0.42 -3.56 118.33 112.76 1n5u n VAL 415 Ca -0.09 -4.71 0.18 0.00 -2.04 0.00 0.00 64.34 57.68 1n5u n VAL 415 Cb 0.54 -1.64 0.96 0.00 -1.47 0.00 0.00 33.84 32.23 1n5u n VAL 415 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1n5u h PRO 416 N 3.74 0.00 0.00 7.34 0.11 -0.68 -1.82 132.00 140.69 1n5u h PRO 416 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1n5u h PRO 416 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1n5u h PRO 416 CO 0.64 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.43 1n5u n GLN 417 N -2.94 0.19 -2.20 1.05 0.00 -1.26 -4.83 117.38 107.39 1n5u n GLN 417 Ca -0.02 0.20 -0.38 0.00 0.00 0.00 0.00 57.00 56.80 1n5u n GLN 417 Cb 0.26 -1.75 -0.01 0.00 0.00 0.00 0.00 30.24 28.75 1n5u n GLN 417 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1n5u s VAL 418 N -3.11 2.98 0.53 -0.39 1.01 -0.69 -4.91 120.40 115.82 1n5u s VAL 418 Ca 0.10 0.77 -0.22 0.00 0.00 0.00 0.00 61.98 62.63 1n5u s VAL 418 Cb 0.13 -3.40 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 1n5u s VAL 418 CO 0.54 0.02 1.35 -1.54 0.00 0.00 0.00 175.10 175.48 1n5u n SER 419 N -0.34 2.72 -0.04 3.32 3.41 -1.26 -4.79 113.62 116.64 1n5u n SER 419 Ca 0.06 1.00 -0.09 0.00 -0.26 0.00 0.00 58.87 59.59 1n5u n SER 419 Cb 0.47 -1.57 -0.03 0.00 -0.26 0.00 0.00 64.21 62.82 1n5u n SER 419 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1n5u h THR 420 N 1.55 0.85 -0.95 6.66 2.02 -1.94 -0.92 112.91 120.18 1n5u h THR 420 Ca -0.51 -0.01 0.15 0.00 0.77 0.00 0.00 66.41 66.81 1n5u h THR 420 Cb 1.30 0.81 -0.08 0.00 -1.74 0.00 0.00 68.15 68.43 1n5u h THR 420 CO 0.57 0.01 0.60 -0.65 0.37 0.00 0.00 175.52 176.43 1n5u h PRO 421 N 0.04 0.78 -0.27 6.66 0.11 -1.97 0.05 132.00 137.40 1n5u h PRO 421 Ca 0.09 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.97 1n5u h PRO 421 Cb 0.12 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1n5u h PRO 421 CO -0.16 0.52 -0.54 1.15 -0.21 0.00 0.00 178.00 178.75 1n5u h THR 422 N 0.80 1.28 -0.91 -1.15 2.02 -1.75 -1.10 112.91 112.10 1n5u h THR 422 Ca 0.49 -1.73 -0.02 0.00 0.77 0.00 0.00 66.41 65.92 1n5u h THR 422 Cb 0.69 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.73 1n5u h THR 422 CO -0.26 0.56 0.50 -0.07 0.37 0.00 0.00 175.52 176.63 1n5u h LEU 423 N 0.62 1.13 0.07 2.58 3.38 0.03 -0.14 115.31 122.99 1n5u h LEU 423 Ca 0.01 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1n5u h LEU 423 Cb 1.15 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1n5u h LEU 423 CO 0.12 0.90 -0.03 0.58 0.09 0.00 0.00 178.44 180.10 1n5u h VAL 424 N 1.27 1.13 0.15 1.22 2.07 -0.95 -1.79 116.25 119.35 1n5u h VAL 424 Ca 0.32 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1n5u h VAL 424 Cb 0.02 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1n5u h VAL 424 CO -0.05 0.18 -0.07 -0.08 0.02 0.00 0.00 177.57 177.56 1n5u h GLU 425 N -0.42 -0.20 -0.56 1.57 4.57 -0.99 0.45 114.58 119.01 1n5u h GLU 425 Ca -0.01 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1n5u h GLU 425 Cb 0.36 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 1n5u h GLU 425 CO 0.02 -0.12 0.36 -0.39 -1.18 0.00 0.00 179.01 177.70 1n5u h VAL 426 N -0.21 1.15 -0.45 0.32 -1.51 -1.09 0.29 116.25 114.75 1n5u h VAL 426 Ca -0.02 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 1n5u h VAL 426 Cb 0.16 0.34 -0.02 0.00 -2.13 0.00 0.00 31.29 29.65 1n5u h VAL 426 CO 0.03 0.15 0.29 0.28 -1.23 0.00 0.00 177.57 177.10 1n5u h SER 427 N 0.76 0.52 -0.30 4.19 0.02 -1.13 0.26 113.55 117.87 1n5u h SER 427 Ca 0.20 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1n5u h SER 427 Cb -0.07 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1n5u h SER 427 CO -0.04 0.39 0.10 0.03 -1.14 0.00 0.00 176.83 176.17 1n5u h ARG 428 N 0.61 0.47 -0.63 3.45 3.08 -0.59 0.28 114.38 121.05 1n5u h ARG 428 Ca 0.16 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1n5u h ARG 428 Cb -0.05 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 1n5u h ARG 428 CO -0.03 0.51 0.35 -0.91 -1.07 0.00 0.00 179.97 178.82 1n5u h ASN 429 N 0.33 0.79 -0.23 7.04 -0.26 -0.62 -1.09 115.58 121.54 1n5u h ASN 429 Ca 0.10 -0.09 -0.05 0.00 -0.56 0.00 0.00 56.30 55.70 1n5u h ASN 429 Cb 0.23 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 1n5u h ASN 429 CO -0.00 0.65 -0.01 -0.07 -1.06 0.00 0.00 177.43 176.93 1n5u h LEU 430 N 0.86 0.50 -1.11 1.61 3.38 -0.32 -1.22 115.31 119.02 1n5u h LEU 430 Ca 0.22 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1n5u h LEU 430 Cb 0.03 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1n5u h LEU 430 CO -0.04 0.58 0.21 1.23 0.09 0.00 0.00 178.44 180.52 1n5u h GLY 431 N 0.85 0.91 1.26 0.83 0.00 0.22 -2.45 103.07 104.68 1n5u h GLY 431 Ca 0.11 -0.47 -0.17 0.00 0.00 0.00 0.00 47.33 46.80 1n5u h GLY 431 CO 0.01 0.45 -0.50 0.50 0.00 0.00 0.00 176.54 177.00 1n5u h LYS 432 N 0.83 0.79 -0.51 4.80 1.57 -0.25 -2.06 116.57 121.73 1n5u h LYS 432 Ca 0.20 -0.47 0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1n5u h LYS 432 Cb 0.19 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1n5u h LYS 432 CO -0.02 1.10 0.34 -0.24 -0.57 0.00 0.00 179.45 180.07 1n5u h VAL 433 N 0.62 1.07 -0.08 0.50 3.04 -0.89 0.34 116.25 120.84 1n5u h VAL 433 Ca 0.03 -0.21 -0.01 0.00 -1.01 0.00 0.00 66.70 65.50 1n5u h VAL 433 Cb 1.08 0.41 -0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1n5u h VAL 433 CO 0.11 0.11 0.01 1.23 -1.01 0.00 0.00 177.57 178.02 1n5u h GLY 434 N 0.61 0.15 1.15 3.17 0.00 -1.11 0.15 103.07 107.18 1n5u h GLY 434 Ca 0.20 -0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.46 1n5u h GLY 434 CO -0.05 0.09 0.52 0.23 0.00 0.00 0.00 176.54 177.33 1n5u h SER 435 N -0.10 0.85 0.14 0.19 0.87 -0.51 0.05 113.55 115.04 1n5u h SER 435 Ca 0.02 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1n5u h SER 435 Cb 0.29 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1n5u h SER 435 CO 0.00 0.60 -0.07 0.11 -0.53 0.00 0.00 176.83 176.94 1n5u h LYS 436 N 0.99 -0.19 -0.05 2.24 1.57 -0.20 -3.36 116.57 117.57 1n5u h LYS 436 Ca 0.30 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.95 1n5u h LYS 436 Cb -0.01 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1n5u h LYS 436 CO -0.08 0.14 -0.62 0.00 -0.57 0.00 0.00 179.45 178.32 1n5u n LYS 439 N -1.39 0.53 -3.60 0.00 4.76 -1.16 -4.81 118.16 112.48 1n5u n LYS 439 Ca 0.05 -0.14 -0.31 0.00 -2.87 0.00 0.00 58.31 55.04 1n5u n LYS 439 Cb 0.13 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.78 1n5u n LYS 439 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1n5u s HIS 440 N -2.57 3.46 0.83 2.13 3.76 -0.47 -5.07 115.29 117.36 1n5u s HIS 440 Ca 0.27 0.62 -0.11 0.00 -0.15 0.00 0.00 55.06 55.69 1n5u s HIS 440 Cb 0.20 -2.06 0.09 0.00 1.11 0.00 0.00 32.58 31.92 1n5u s HIS 440 CO 0.49 0.38 1.09 -1.25 -0.85 0.00 0.00 174.74 174.60 1n5u s PRO 441 N -2.77 1.82 0.34 8.40 0.04 -1.26 -4.70 135.00 136.87 1n5u s PRO 441 Ca 0.42 1.08 0.14 0.00 0.04 0.00 0.00 61.00 62.69 1n5u s PRO 441 Cb -0.12 -1.85 1.04 0.00 0.04 0.00 0.00 34.50 33.61 1n5u s PRO 441 CO 0.24 -1.93 1.69 1.49 0.04 0.00 0.00 177.00 178.53 1n5u h GLU 442 N -1.33 0.38 -0.19 4.56 4.81 -1.95 -0.78 114.58 120.08 1n5u h GLU 442 Ca -0.46 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.81 1n5u h GLU 442 Cb 1.25 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1n5u h GLU 442 CO 0.52 0.25 0.20 0.00 -0.73 0.00 0.00 179.01 179.25 1n5u h ALA 443 N 1.80 1.84 -0.06 2.92 0.00 -1.93 -2.69 119.26 121.14 1n5u h ALA 443 Ca 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.61 1n5u h ALA 443 Cb 1.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1n5u h ALA 443 CO -0.55 -0.30 0.00 1.17 0.00 0.00 0.00 179.25 179.57 1n5u n LYS 444 N -3.85 0.72 -0.13 0.00 3.00 -0.31 -4.02 118.16 113.56 1n5u n LYS 444 Ca 0.02 -1.13 -0.12 0.00 -0.00 0.00 0.00 58.31 57.08 1n5u n LYS 444 Cb 0.33 -1.13 -0.02 0.00 0.00 0.00 0.00 35.03 34.21 1n5u n LYS 444 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1n5u h ARG 445 N 1.20 0.82 -0.34 1.64 3.08 -1.29 -3.04 114.38 116.44 1n5u h ARG 445 Ca 0.00 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 59.64 1n5u h ARG 445 Cb 0.36 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1n5u h ARG 445 CO 0.00 1.00 0.05 1.98 -1.07 0.00 0.00 179.97 181.93 1n5u h MET 446 N 0.62 0.57 -0.56 0.04 4.05 -1.76 -0.58 114.93 117.32 1n5u h MET 446 Ca 0.08 -0.16 -0.05 0.00 -0.28 0.00 0.00 59.70 59.30 1n5u h MET 446 Cb 0.77 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.48 1n5u h MET 446 CO 0.06 0.66 0.16 -1.35 0.23 0.00 0.00 176.91 176.67 1n5u h PRO 447 N 0.40 0.84 0.02 0.39 0.11 -1.77 -0.11 132.00 131.88 1n5u h PRO 447 Ca 0.10 -0.16 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1n5u h PRO 447 Cb 0.37 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1n5u h PRO 447 CO 0.01 0.73 -0.01 0.00 -0.21 0.00 0.00 178.00 178.52 1n5u h ALA 449 N 0.83 0.84 -0.32 0.00 0.00 -0.87 -1.12 119.26 118.62 1n5u h ALA 449 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1n5u h ALA 449 Cb 0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1n5u h ALA 449 CO 0.00 0.26 0.15 1.49 0.00 0.00 0.00 179.25 181.15 1n5u h GLU 450 N 0.89 0.31 -0.02 0.00 4.81 -0.77 0.50 114.58 120.28 1n5u h GLU 450 Ca 0.25 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1n5u h GLU 450 Cb -0.09 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 1n5u h GLU 450 CO -0.06 0.20 0.01 0.22 -0.73 0.00 0.00 179.01 178.66 1n5u h ASP 451 N 0.32 0.03 -0.26 1.04 3.58 -0.70 -1.47 116.42 118.95 1n5u h ASP 451 Ca 0.13 -0.09 -0.14 0.00 0.42 0.00 0.00 57.03 57.35 1n5u h ASP 451 Cb 0.06 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 1n5u h ASP 451 CO -0.10 0.11 -0.37 1.88 -2.88 0.00 0.00 179.24 177.88 1n5u h TYR 452 N -0.06 0.88 -0.29 0.28 0.05 -1.05 -3.10 116.97 113.68 1n5u h TYR 452 Ca 0.01 -0.29 -0.03 0.00 0.05 0.00 0.00 58.73 58.47 1n5u h TYR 452 Cb 0.09 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 1n5u h TYR 452 CO -0.05 1.06 0.04 -0.07 -1.05 0.00 0.00 178.16 178.10 1n5u h LEU 453 N 0.45 0.38 -1.77 3.88 -0.00 -0.01 -1.07 115.31 117.17 1n5u h LEU 453 Ca 0.03 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 1n5u h LEU 453 Cb 0.96 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.51 1n5u h LEU 453 CO 0.09 0.41 -0.01 0.77 -0.00 0.00 0.00 178.44 179.70 1n5u h SER 454 N 0.41 0.11 0.26 -0.43 4.64 -1.19 0.28 113.55 117.64 1n5u h SER 454 Ca 0.10 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1n5u h SER 454 Cb 0.20 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1n5u h SER 454 CO 0.00 0.15 -0.13 0.58 -0.87 0.00 0.00 176.83 176.57 1n5u h VAL 455 N 0.13 0.12 -0.39 0.95 2.07 -1.22 -2.29 116.25 115.62 1n5u h VAL 455 Ca 0.03 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 66.82 1n5u h VAL 455 Cb 0.11 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.03 1n5u h VAL 455 CO 0.00 0.03 0.07 0.58 0.02 0.00 0.00 177.57 178.28 1n5u h VAL 456 N -1.08 0.80 -0.29 2.57 2.07 -1.14 -0.86 116.25 118.32 1n5u h VAL 456 Ca -0.04 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.31 1n5u h VAL 456 Cb 0.33 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1n5u h VAL 456 CO 0.06 0.04 -0.27 -0.07 0.02 0.00 0.00 177.57 177.35 1n5u h LEU 457 N 0.20 0.59 -0.66 2.57 3.38 -0.59 -1.74 115.31 119.06 1n5u h LEU 457 Ca 0.19 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1n5u h LEU 457 Cb 0.22 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1n5u h LEU 457 CO -0.25 0.84 0.15 -1.13 0.09 0.00 0.00 178.44 178.14 1n5u h ASN 458 N 0.50 1.01 -0.51 -0.43 -1.24 -0.89 -0.70 115.58 113.31 1n5u h ASN 458 Ca 0.07 -0.24 -0.04 0.00 0.71 0.00 0.00 56.30 56.79 1n5u h ASN 458 Cb 0.73 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.49 1n5u h ASN 458 CO 0.06 0.99 0.15 1.56 -1.29 0.00 0.00 177.43 178.90 1n5u h GLN 459 N 0.98 0.81 -0.30 6.67 1.08 -0.91 0.54 115.11 123.98 1n5u h GLN 459 Ca 0.20 -0.18 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1n5u h GLN 459 Cb 0.38 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 1n5u h GLN 459 CO 0.00 0.75 0.18 1.25 -0.95 0.00 0.00 178.83 180.07 1n5u h LEU 460 N 0.71 0.30 -0.94 1.46 5.85 -1.08 -1.42 115.31 120.18 1n5u h LEU 460 Ca 0.16 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1n5u h LEU 460 Cb 0.29 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1n5u h LEU 460 CO -0.00 0.22 0.40 0.00 -0.34 0.00 0.00 178.44 178.71 1n5u h VAL 462 N 1.15 1.16 -0.59 0.00 2.07 -0.51 0.50 116.25 120.03 1n5u h VAL 462 Ca 0.28 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1n5u h VAL 462 Cb 0.10 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1n5u h VAL 462 CO -0.04 0.17 0.24 -0.07 0.02 0.00 0.00 177.57 177.90 1n5u h LEU 463 N 0.43 0.80 -1.31 2.57 3.38 -0.88 -2.31 115.31 118.00 1n5u h LEU 463 Ca 0.12 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1n5u h LEU 463 Cb 0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1n5u h LEU 463 CO -0.02 0.75 -0.12 -0.74 0.09 0.00 0.00 178.44 178.40 1n5u h HIS 464 N 0.81 0.34 -2.54 1.13 2.76 -0.78 -3.37 115.15 113.50 1n5u h HIS 464 Ca 0.20 -0.04 -0.53 0.00 -2.20 0.00 0.00 60.37 57.80 1n5u h HIS 464 Cb 0.19 -0.10 0.05 0.00 1.55 0.00 0.00 27.41 29.10 1n5u h HIS 464 CO 0.01 0.44 1.05 -1.91 -1.30 0.00 0.00 177.93 176.21 1n5u n GLU 465 N -4.25 2.74 -3.87 5.26 4.07 0.14 -0.47 120.64 124.25 1n5u n GLU 465 Ca -0.00 0.99 -0.27 0.00 -0.06 0.00 0.00 57.16 57.82 1n5u n GLU 465 Cb 0.28 -2.86 0.02 0.00 -0.06 0.00 0.00 31.44 28.82 1n5u n GLU 465 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1n5u n LYS 466 N 4.75 -4.85 0.00 5.31 4.76 -1.26 -4.68 118.16 122.19 1n5u n LYS 466 Ca 0.17 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 1n5u n LYS 466 Cb 0.35 -5.22 0.00 0.00 -1.84 0.00 0.00 35.03 28.32 1n5u n LYS 466 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1n5u n THR 467 N -4.48 0.00 -2.35 -0.18 -1.04 -0.82 -5.11 114.28 100.29 1n5u n THR 467 Ca -0.13 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.54 1n5u n THR 467 Cb 0.60 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.10 1n5u n THR 467 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1n5u s PRO 468 N 0.00 3.51 0.00 -2.82 0.04 0.38 -4.56 135.00 131.54 1n5u s PRO 468 Ca 0.00 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1n5u s PRO 468 Cb 0.00 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1n5u s PRO 468 CO 0.00 -0.70 0.00 1.33 0.04 0.00 0.00 177.00 177.67 1n5u n VAL 469 N -1.20 0.00 -3.70 -0.36 0.24 -1.26 -5.08 118.33 106.97 1n5u n VAL 469 Ca 0.11 -0.02 -0.14 0.00 -2.04 0.00 0.00 64.34 62.25 1n5u n VAL 469 Cb 0.52 0.87 -0.14 0.00 -1.47 0.00 0.00 33.84 33.62 1n5u n VAL 469 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1n5u s SER 470 N -0.05 0.15 0.43 -1.34 0.15 -1.26 -4.93 113.70 106.86 1n5u s SER 470 Ca 0.00 0.48 0.11 0.00 0.70 0.00 0.00 55.95 57.24 1n5u s SER 470 Cb 0.00 0.45 0.94 0.00 -1.71 0.00 0.00 66.02 65.70 1n5u s SER 470 CO 0.00 -0.20 2.01 -2.24 1.20 0.00 0.00 173.24 174.01 1n5u h ASP 471 N 7.79 0.21 0.18 5.45 2.03 -1.99 -1.70 116.42 128.38 1n5u h ASP 471 Ca -0.27 -0.02 -0.11 0.00 -0.73 0.00 0.00 57.03 55.90 1n5u h ASP 471 Cb 1.13 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.57 1n5u h ASP 471 CO 0.26 0.26 -0.39 0.03 -1.03 0.00 0.00 179.24 178.37 1n5u h ARG 472 N 0.23 0.29 -0.07 4.15 3.08 -1.99 -0.38 114.38 119.68 1n5u h ARG 472 Ca 0.05 -0.13 -0.22 0.00 0.07 0.00 0.00 59.98 59.75 1n5u h ARG 472 Cb 0.17 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.22 1n5u h ARG 472 CO 0.00 0.64 -0.84 0.28 -1.07 0.00 0.00 179.97 178.98 1n5u h VAL 473 N 0.24 1.33 -0.06 2.04 2.07 -1.78 -2.56 116.25 117.54 1n5u h VAL 473 Ca 0.02 -2.17 0.01 0.00 0.82 0.00 0.00 66.70 65.39 1n5u h VAL 473 Cb 0.80 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1n5u h VAL 473 CO 0.06 0.67 -0.01 0.74 0.02 0.00 0.00 177.57 179.05 1n5u h THR 474 N 0.37 0.95 -0.31 2.57 2.02 -1.04 0.31 112.91 117.79 1n5u h THR 474 Ca -0.06 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 67.18 1n5u h THR 474 Cb 1.46 0.94 -0.08 0.00 -1.74 0.00 0.00 68.15 68.72 1n5u h THR 474 CO 0.16 0.00 -0.36 0.50 0.37 0.00 0.00 175.52 176.19 1n5u h LYS 475 N 0.01 -0.32 -0.45 6.66 1.63 -1.03 0.24 116.57 123.31 1n5u h LYS 475 Ca 0.03 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 1n5u h LYS 475 Cb 0.04 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 1n5u h LYS 475 CO -0.05 -0.21 0.15 0.00 -3.45 0.00 0.00 179.45 175.88 1n5u n THR 478 N -3.22 0.00 -0.58 0.00 -2.24 0.70 -5.00 114.28 103.95 1n5u n THR 478 Ca 0.02 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.26 1n5u n THR 478 Cb 0.52 0.63 0.28 0.00 -2.10 0.00 0.00 70.33 69.66 1n5u n THR 478 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1n5u s GLU 479 N -2.71 -2.57 0.48 -0.78 0.41 0.29 -4.92 118.70 108.89 1n5u s GLU 479 Ca 0.01 0.03 -0.24 0.00 -0.41 0.00 0.00 54.97 54.36 1n5u s GLU 479 Cb 0.11 -1.43 -0.07 0.00 -1.78 0.00 0.00 34.13 30.96 1n5u s GLU 479 CO 0.64 -4.62 1.34 0.45 -0.49 0.00 0.00 175.26 172.58 1n5u s SER 480 N -3.42 5.75 0.62 -0.19 0.15 -1.26 -4.83 113.70 110.52 1n5u s SER 480 Ca 0.70 2.73 0.36 0.00 0.70 0.00 0.00 55.95 60.43 1n5u s SER 480 Cb -0.11 -2.64 2.05 0.00 -1.71 0.00 0.00 66.02 63.61 1n5u s SER 480 CO 0.57 -1.24 2.29 0.25 1.20 0.00 0.00 173.24 176.31 1n5u h LEU 481 N 2.00 0.00 -0.38 3.45 6.46 -1.93 -0.24 115.31 124.67 1n5u h LEU 481 Ca -0.50 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.24 1n5u h LEU 481 Cb 1.27 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.20 1n5u h LEU 481 CO 0.60 0.01 -0.09 -0.37 -0.62 0.00 0.00 178.44 177.96 1n5u h VAL 482 N 0.00 0.17 -0.16 1.05 -1.51 -1.93 -3.13 116.25 110.74 1n5u h VAL 482 Ca -0.00 -1.10 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 1n5u h VAL 482 Cb 0.03 1.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 1n5u h VAL 482 CO 0.00 0.09 0.00 0.59 -1.23 0.00 0.00 177.57 177.02 1n5u n ASN 483 N -3.14 2.50 0.37 4.19 3.02 -0.19 -4.71 115.26 117.29 1n5u n ASN 483 Ca 0.03 -1.72 -0.16 0.00 -0.03 0.00 0.00 54.58 52.69 1n5u n ASN 483 Cb 0.51 -0.10 -0.08 0.00 -0.61 0.00 0.00 39.78 39.50 1n5u n ASN 483 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1n5u h ARG 484 N 2.70 -0.98 -0.16 3.52 2.43 -1.25 -1.03 114.38 119.60 1n5u h ARG 484 Ca 0.00 0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1n5u h ARG 484 Cb 0.65 0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1n5u h ARG 484 CO 0.00 -0.65 0.10 -0.09 -1.51 0.00 0.00 179.97 177.81 1n5u h ARG 485 N -1.02 0.22 0.00 0.20 1.12 -1.84 -2.04 114.38 111.02 1n5u h ARG 485 Ca -0.09 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.73 1n5u h ARG 485 Cb 0.81 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.72 1n5u h ARG 485 CO 0.10 0.20 -0.11 -1.00 -3.11 0.00 0.00 179.97 176.05 1n5u h PRO 486 N 0.19 0.00 -0.31 0.20 0.13 -1.85 0.41 132.00 130.76 1n5u h PRO 486 Ca 0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.16 1n5u h PRO 486 Cb 0.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 1n5u h PRO 486 CO -0.01 0.11 0.07 0.00 -0.23 0.00 0.00 178.00 177.93 1n5u h PHE 488 N 0.34 0.92 0.00 0.00 -1.00 -0.66 -2.11 116.94 114.43 1n5u h PHE 488 Ca 0.10 -0.14 -0.04 0.00 2.81 0.00 0.00 57.97 60.69 1n5u h PHE 488 Cb 0.31 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 1n5u h PHE 488 CO 0.02 0.84 -0.21 0.77 -1.61 0.00 0.00 178.31 178.12 1n5u h SER 489 N 0.79 0.00 0.68 2.17 0.02 -0.60 -2.43 113.55 114.19 1n5u h SER 489 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1n5u h SER 489 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1n5u h SER 489 CO 0.02 0.21 -0.03 0.00 -1.14 0.00 0.00 176.83 175.89 1n5u n ALA 490 N -2.41 2.51 -1.77 3.77 0.00 -0.12 -4.87 120.51 117.62 1n5u n ALA 490 Ca -0.02 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 1n5u n ALA 490 Cb 0.29 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 1n5u n ALA 490 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n5u s LEU 491 N -2.72 4.32 0.33 0.00 2.01 -0.92 -4.99 118.68 116.72 1n5u s LEU 491 Ca 0.23 3.04 0.08 0.00 0.01 0.00 0.00 54.13 57.49 1n5u s LEU 491 Cb 0.20 -3.66 -0.04 0.00 0.01 0.00 0.00 46.19 42.70 1n5u s LEU 491 CO 0.50 -0.90 0.19 -1.61 1.01 0.00 0.00 176.35 175.54 1n5u s GLU 492 N -1.60 2.53 0.32 1.70 0.41 -1.26 -5.02 118.70 115.77 1n5u s GLU 492 Ca 0.56 -1.42 -0.29 0.00 -0.41 0.00 0.00 54.97 53.41 1n5u s GLU 492 Cb -0.47 -2.31 -0.12 0.00 -1.78 0.00 0.00 34.13 29.45 1n5u s GLU 492 CO 0.59 0.13 1.45 0.28 -0.49 0.00 0.00 175.26 177.22 1n5u n VAL 493 N -1.22 1.52 -2.65 2.63 0.31 -1.26 -4.56 118.33 113.09 1n5u n VAL 493 Ca -0.03 -0.38 -0.42 0.00 -0.01 0.00 0.00 64.34 63.50 1n5u n VAL 493 Cb 0.60 -1.78 -0.03 0.00 -0.91 0.00 0.00 33.84 31.73 1n5u n VAL 493 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1n5u s ASP 494 N 0.09 6.22 0.00 4.52 -1.08 -0.44 -4.85 116.67 121.13 1n5u s ASP 494 Ca 0.60 -0.50 0.28 0.00 -0.52 0.00 0.00 52.55 52.41 1n5u s ASP 494 Cb -0.54 -2.51 1.11 0.00 -1.46 0.00 0.00 42.92 39.52 1n5u s ASP 494 CO 0.56 -1.64 1.79 -0.62 0.52 0.00 0.00 175.17 175.78 1n5u n GLU 495 N 8.68 0.66 0.00 4.34 1.02 -1.26 -3.42 120.64 130.66 1n5u n GLU 495 Ca 0.02 -0.26 0.11 0.00 -0.02 0.00 0.00 57.16 57.01 1n5u n GLU 495 Cb 0.48 -1.49 0.10 0.00 -0.02 0.00 0.00 31.44 30.50 1n5u n GLU 495 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1n5u n THR 496 N -0.94 0.00 -1.74 2.62 -2.24 -1.26 -4.93 114.28 105.78 1n5u n THR 496 Ca 0.13 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.47 1n5u n THR 496 Cb 0.30 0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 69.12 1n5u n THR 496 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1n5u s TYR 497 N -2.93 1.43 -0.20 4.78 6.14 -1.22 -4.96 117.35 120.39 1n5u s TYR 497 Ca 0.11 -0.33 -0.26 0.00 0.64 0.00 0.00 57.07 57.23 1n5u s TYR 497 Cb 0.17 -4.18 -0.00 0.00 0.42 0.00 0.00 41.96 38.37 1n5u s TYR 497 CO 0.74 -5.23 0.90 0.08 0.64 0.00 0.00 175.55 172.69 1n5u s VAL 498 N 4.35 4.80 0.15 3.14 1.01 -1.26 -4.98 120.40 127.61 1n5u s VAL 498 Ca 0.85 1.75 -0.33 0.00 0.00 0.00 0.00 61.98 64.25 1n5u s VAL 498 Cb -0.41 -4.19 -0.16 0.00 0.00 0.00 0.00 36.38 31.62 1n5u s VAL 498 CO 0.39 -0.06 1.13 -2.65 0.00 0.00 0.00 175.10 173.91 1n5u n PRO 499 N 5.76 0.99 -2.25 2.72 -0.02 -1.26 -4.89 135.00 136.04 1n5u n PRO 499 Ca 0.07 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 1n5u n PRO 499 Cb 0.48 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 1n5u n PRO 499 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1n5u s LYS 500 N -0.32 4.39 0.43 -0.52 2.20 -0.40 -4.96 119.74 120.56 1n5u s LYS 500 Ca 0.75 2.00 -0.25 0.00 -0.36 0.00 0.00 55.97 58.11 1n5u s LYS 500 Cb -0.90 -3.23 -0.10 0.00 -1.51 0.00 0.00 37.83 32.09 1n5u s LYS 500 CO 0.52 -0.28 1.21 0.39 -0.36 0.00 0.00 175.35 176.83 1n5u n GLU 501 N 3.13 1.76 -1.96 4.03 1.02 -1.26 -4.37 120.64 123.00 1n5u n GLU 501 Ca 0.08 0.63 -0.42 0.00 -0.02 0.00 0.00 57.16 57.43 1n5u n GLU 501 Cb 0.43 -2.30 -0.03 0.00 -0.02 0.00 0.00 31.44 29.52 1n5u n GLU 501 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1n5u s PHE 502 N -1.22 3.04 -0.24 -0.32 2.19 -1.26 -4.97 117.98 115.20 1n5u s PHE 502 Ca 0.62 0.64 0.02 0.00 0.33 0.00 0.00 56.93 58.54 1n5u s PHE 502 Cb -0.52 -3.91 0.05 0.00 -1.31 0.00 0.00 43.02 37.34 1n5u s PHE 502 CO 0.57 -3.35 -0.13 1.21 1.83 0.00 0.00 175.22 175.35 1n5u s ASN 503 N 1.23 4.05 0.19 6.13 3.84 -1.26 -5.01 114.94 124.11 1n5u s ASN 503 Ca 0.70 -1.18 -0.13 0.00 0.21 0.00 0.00 52.86 52.46 1n5u s ASN 503 Cb -0.43 -1.51 0.20 0.00 -0.55 0.00 0.00 41.25 38.96 1n5u s ASN 503 CO 0.31 -0.14 1.71 0.00 -2.79 0.00 0.00 177.10 176.19 1n5u h ALA 504 N 7.83 0.56 -0.40 1.71 0.00 -1.95 -2.36 119.26 124.63 1n5u h ALA 504 Ca -0.26 0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1n5u h ALA 504 Cb 1.07 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1n5u h ALA 504 CO 0.51 -0.32 0.07 0.93 0.00 0.00 0.00 179.25 180.44 1n5u h GLU 505 N 0.22 0.19 -0.65 0.00 4.39 -1.95 -1.50 114.58 115.28 1n5u h GLU 505 Ca 0.25 -0.01 0.18 0.00 0.34 0.00 0.00 59.36 60.12 1n5u h GLU 505 Cb 0.35 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1n5u h GLU 505 CO -0.35 0.13 0.46 1.15 -1.16 0.00 0.00 179.01 179.24 1n5u h THR 506 N 0.20 0.70 -0.66 1.13 2.02 -1.86 -2.05 112.91 112.38 1n5u h THR 506 Ca 0.19 -0.02 -0.45 0.00 0.77 0.00 0.00 66.41 66.90 1n5u h THR 506 Cb 0.24 0.63 -0.29 0.00 -1.74 0.00 0.00 68.15 66.98 1n5u h THR 506 CO -0.26 0.01 -0.23 0.49 0.37 0.00 0.00 175.52 175.90 1n5u n PHE 507 N -4.37 2.28 -4.59 3.16 3.01 -0.59 -4.90 117.46 111.46 1n5u n PHE 507 Ca 0.13 -2.20 -0.33 0.00 1.01 0.00 0.00 57.45 56.06 1n5u n PHE 507 Cb 0.68 -0.62 -0.15 0.00 -0.01 0.00 0.00 39.48 39.37 1n5u n PHE 507 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1n5u s THR 508 N -4.21 2.67 0.23 4.37 2.01 -0.77 -4.93 115.64 115.00 1n5u s THR 508 Ca 0.52 -0.77 0.10 0.00 0.31 0.00 0.00 61.69 61.84 1n5u s THR 508 Cb 0.43 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1n5u s THR 508 CO 0.01 0.52 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.99 1n5u s PHE 509 N 0.74 2.53 0.17 4.92 0.40 -1.26 -5.01 117.98 120.47 1n5u s PHE 509 Ca -0.07 -0.26 0.04 0.00 -0.60 0.00 0.00 56.93 56.05 1n5u s PHE 509 Cb -0.15 -1.17 -0.05 0.00 0.51 0.00 0.00 43.02 42.16 1n5u s PHE 509 CO 0.01 0.59 -0.08 -1.01 0.70 0.00 0.00 175.22 175.43 1n5u s HIS 510 N -2.09 1.34 0.64 0.36 3.76 -1.26 -4.54 115.29 113.51 1n5u s HIS 510 Ca 0.28 -0.79 0.30 0.00 -0.15 0.00 0.00 55.06 54.70 1n5u s HIS 510 Cb -0.07 -0.70 1.65 0.00 1.11 0.00 0.00 32.58 34.57 1n5u s HIS 510 CO 0.16 0.06 1.96 0.00 -0.85 0.00 0.00 174.74 176.07 1n5u h ALA 511 N 2.71 1.53 -0.32 -1.40 0.00 -1.91 -0.51 119.26 119.36 1n5u h ALA 511 Ca -0.37 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.60 1n5u h ALA 511 Cb 1.20 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1n5u h ALA 511 CO 0.64 -0.38 0.22 0.38 0.00 0.00 0.00 179.25 180.10 1n5u h ASP 512 N 0.00 0.12 -0.43 0.00 2.03 -1.99 0.75 116.42 116.90 1n5u h ASP 512 Ca 0.05 0.00 0.13 0.00 -0.73 0.00 0.00 57.03 56.48 1n5u h ASP 512 Cb 0.71 -0.02 -0.02 0.00 -0.83 0.00 0.00 39.33 39.17 1n5u h ASP 512 CO -0.00 0.08 0.40 -0.29 -1.03 0.00 0.00 179.24 178.40 1n5u h ILE 513 N 0.13 0.49 0.00 4.15 -0.00 -1.50 0.28 117.51 121.05 1n5u h ILE 513 Ca 0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 64.86 64.95 1n5u h ILE 513 Cb 0.41 0.69 -0.01 0.00 -0.00 0.00 0.00 36.82 37.91 1n5u h ILE 513 CO -0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 178.15 177.88 1n5u n THR 515 N -3.26 0.00 -1.27 0.00 -2.24 0.94 -4.99 114.28 103.46 1n5u n THR 515 Ca 0.02 -0.38 -0.31 0.00 -2.27 0.00 0.00 64.05 61.10 1n5u n THR 515 Cb 0.53 1.29 0.09 0.00 -2.10 0.00 0.00 70.33 70.15 1n5u n THR 515 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1n5u s LEU 516 N -1.97 3.07 1.12 3.22 2.01 -0.97 -5.01 118.68 120.16 1n5u s LEU 516 Ca 0.18 1.91 -0.14 0.00 0.01 0.00 0.00 54.13 56.09 1n5u s LEU 516 Cb 0.15 -4.53 0.25 0.00 0.01 0.00 0.00 46.19 42.07 1n5u s LEU 516 CO 0.38 -2.11 1.06 -0.94 1.01 0.00 0.00 176.35 175.75 1n5u s SER 517 N -3.14 1.53 0.17 2.29 1.04 -1.26 -4.67 113.70 109.65 1n5u s SER 517 Ca 0.63 1.17 -0.14 0.00 0.48 0.00 0.00 55.95 58.09 1n5u s SER 517 Cb -0.19 -1.81 0.08 0.00 0.10 0.00 0.00 66.02 64.20 1n5u s SER 517 CO 0.54 -3.81 1.81 -0.33 0.98 0.00 0.00 173.24 172.43 1n5u h GLU 518 N -2.36 0.58 0.31 4.02 4.39 -1.99 -0.54 114.58 118.99 1n5u h GLU 518 Ca -0.56 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.09 1n5u h GLU 518 Cb 1.33 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1n5u h GLU 518 CO 0.51 0.38 -0.15 -0.22 -1.16 0.00 0.00 179.01 178.37 1n5u h LYS 519 N 0.60 -0.40 -0.66 2.33 3.64 -2.00 -1.77 116.57 118.31 1n5u h LYS 519 Ca 0.19 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.66 1n5u h LYS 519 Cb -0.00 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1n5u h LYS 519 CO -0.08 -0.18 0.44 0.93 -2.27 0.00 0.00 179.45 178.29 1n5u h GLU 520 N -0.54 0.65 -0.21 1.90 5.08 -1.87 -0.53 114.58 119.06 1n5u h GLU 520 Ca -0.04 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1n5u h GLU 520 Cb 0.40 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1n5u h GLU 520 CO 0.07 0.43 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.26 1n5u h ARG 521 N 0.67 0.47 -0.41 2.33 2.43 -0.95 -1.78 114.38 117.14 1n5u h ARG 521 Ca 0.29 -0.23 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1n5u h ARG 521 Cb 0.27 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1n5u h ARG 521 CO -0.09 0.79 0.26 1.96 -1.51 0.00 0.00 179.97 181.38 1n5u h GLN 522 N 0.16 0.51 -1.00 0.20 4.20 -0.70 -1.42 115.11 117.06 1n5u h GLN 522 Ca 0.04 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.73 1n5u h GLN 522 Cb 0.68 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.29 1n5u h GLN 522 CO 0.04 0.34 0.66 0.82 -0.67 0.00 0.00 178.83 180.02 1n5u h ILE 523 N 0.53 1.25 -0.51 2.54 1.08 -1.07 0.22 117.51 121.56 1n5u h ILE 523 Ca 0.16 -0.46 -0.06 0.00 -0.39 0.00 0.00 64.86 64.10 1n5u h ILE 523 Cb -0.03 -0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 33.48 1n5u h ILE 523 CO -0.05 0.25 0.07 0.50 -0.69 0.00 0.00 178.15 178.23 1n5u h LYS 524 N 1.35 0.85 -0.18 2.37 3.64 -0.77 0.05 116.57 123.87 1n5u h LYS 524 Ca 0.37 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1n5u h LYS 524 Cb -0.14 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1n5u h LYS 524 CO -0.08 0.84 -0.10 0.87 -2.27 0.00 0.00 179.45 178.71 1n5u h LYS 525 N 0.72 0.39 -0.11 1.90 1.57 -0.72 -1.42 116.57 118.91 1n5u h LYS 525 Ca 0.15 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1n5u h LYS 525 Cb 0.42 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1n5u h LYS 525 CO 0.01 0.70 -0.26 1.96 -0.57 0.00 0.00 179.45 181.29 1n5u h GLN 526 N 0.08 0.19 -0.37 3.15 4.20 -0.55 0.17 115.11 121.98 1n5u h GLN 526 Ca 0.04 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1n5u h GLN 526 Cb 0.59 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1n5u h GLN 526 CO 0.03 0.45 0.07 1.15 -0.67 0.00 0.00 178.83 179.85 1n5u h THR 527 N 0.17 1.24 -0.36 -0.54 2.02 -0.83 -0.95 112.91 113.66 1n5u h THR 527 Ca 0.03 -0.83 -0.09 0.00 0.77 0.00 0.00 66.41 66.28 1n5u h THR 527 Cb 0.56 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1n5u h THR 527 CO 0.04 0.28 -0.16 0.00 0.37 0.00 0.00 175.52 176.05 1n5u h ALA 528 N 0.91 1.03 -0.59 6.16 0.00 -0.74 -2.21 119.26 123.83 1n5u h ALA 528 Ca 0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1n5u h ALA 528 Cb 0.35 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1n5u h ALA 528 CO 0.01 0.58 0.29 1.25 0.00 0.00 0.00 179.25 181.38 1n5u h LEU 529 N 0.60 0.77 -0.13 0.00 5.85 -0.27 0.10 115.31 122.23 1n5u h LEU 529 Ca 0.10 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1n5u h LEU 529 Cb 0.62 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1n5u h LEU 529 CO 0.04 0.68 0.07 0.58 -0.34 0.00 0.00 178.44 179.47 1n5u h VAL 530 N 0.81 1.10 -0.34 1.05 2.07 -0.97 -1.41 116.25 118.56 1n5u h VAL 530 Ca 0.21 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1n5u h VAL 530 Cb 0.10 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1n5u h VAL 530 CO -0.03 0.10 0.23 -0.33 0.02 0.00 0.00 177.57 177.56 1n5u h GLU 531 N 0.10 0.43 -0.12 1.57 4.39 -1.15 0.58 114.58 120.38 1n5u h GLU 531 Ca 0.05 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1n5u h GLU 531 Cb 0.09 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1n5u h GLU 531 CO -0.01 0.28 0.03 1.25 -1.16 0.00 0.00 179.01 179.41 1n5u h LEU 532 N 0.44 0.19 -1.01 1.33 5.85 -0.40 -0.74 115.31 120.97 1n5u h LEU 532 Ca 0.13 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 1n5u h LEU 532 Cb -0.02 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1n5u h LEU 532 CO -0.03 0.36 -0.05 0.58 -0.34 0.00 0.00 178.44 178.96 1n5u h VAL 533 N 0.00 1.23 -0.15 1.05 2.07 -0.56 0.12 116.25 120.02 1n5u h VAL 533 Ca 0.04 -0.99 -0.10 0.00 0.82 0.00 0.00 66.70 66.47 1n5u h VAL 533 Cb 0.24 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1n5u h VAL 533 CO -0.00 0.34 -0.33 0.11 0.02 0.00 0.00 177.57 177.71 1n5u h LYS 534 N 0.61 0.30 0.00 1.57 1.57 -0.72 0.84 116.57 120.75 1n5u h LYS 534 Ca 0.12 -0.12 -0.22 0.00 -1.87 0.00 0.00 60.65 58.55 1n5u h LYS 534 Cb 0.46 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1n5u h LYS 534 CO 0.02 0.61 -1.16 1.25 -0.57 0.00 0.00 179.45 179.60 1n5u h HIS 535 N 0.26 0.00 -2.08 -1.35 2.76 -0.67 -1.04 115.15 113.03 1n5u h HIS 535 Ca 0.03 0.00 -0.57 0.00 -2.20 0.00 0.00 60.37 57.63 1n5u h HIS 535 Cb 0.72 0.00 -0.40 0.00 1.55 0.00 0.00 27.41 29.28 1n5u h HIS 535 CO 0.02 0.96 -0.92 1.63 -1.30 0.00 0.00 177.93 178.31 1n5u n LYS 536 N -3.25 1.44 0.33 5.26 4.76 0.38 -4.38 118.16 122.71 1n5u n LYS 536 Ca -0.04 -3.79 0.22 0.00 -2.87 0.00 0.00 58.31 51.83 1n5u n LYS 536 Cb 0.95 -1.63 1.19 0.00 -1.84 0.00 0.00 35.03 33.70 1n5u n LYS 536 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1n5u h PRO 537 N 3.97 0.00 -0.01 1.97 0.13 -1.03 -1.96 132.00 135.07 1n5u h PRO 537 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1n5u h PRO 537 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1n5u h PRO 537 CO 0.61 0.00 -0.26 1.63 -0.23 0.00 0.00 178.00 179.74 1n5u n LYS 538 N -3.11 1.11 -1.91 0.86 5.02 -1.26 -4.89 118.16 113.97 1n5u n LYS 538 Ca -0.03 -0.74 -0.42 0.00 -2.02 0.00 0.00 58.31 55.10 1n5u n LYS 538 Cb 0.08 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 1n5u n LYS 538 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n5u s ALA 539 N -2.41 3.66 0.75 7.82 0.00 -0.74 -4.96 121.76 125.89 1n5u s ALA 539 Ca 0.25 1.16 -0.12 0.00 0.00 0.00 0.00 51.96 53.25 1n5u s ALA 539 Cb 0.19 -3.72 0.05 0.00 0.00 0.00 0.00 23.12 19.64 1n5u s ALA 539 CO 0.50 -1.23 1.12 0.95 0.00 0.00 0.00 175.76 177.10 1n5u s THR 540 N 3.17 3.01 0.52 0.00 -4.23 -1.26 -4.71 115.64 112.14 1n5u s THR 540 Ca 0.75 0.39 0.22 0.00 -1.18 0.00 0.00 61.69 61.87 1n5u s THR 540 Cb -0.39 -2.82 0.36 0.00 1.34 0.00 0.00 72.50 70.99 1n5u s THR 540 CO 0.33 -0.37 2.04 0.07 -0.54 0.00 0.00 174.62 176.15 1n5u h LYS 541 N -0.80 0.01 -0.16 3.99 -0.00 -1.98 0.29 116.57 117.92 1n5u h LYS 541 Ca -0.45 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.65 60.11 1n5u h LYS 541 Cb 1.25 -0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.47 1n5u h LYS 541 CO 0.51 0.01 -0.25 0.93 -0.00 0.00 0.00 179.45 180.64 1n5u h GLU 542 N 0.01 0.45 -0.51 0.07 4.39 -2.00 -1.34 114.58 115.66 1n5u h GLU 542 Ca 0.18 -0.27 -0.10 0.00 0.34 0.00 0.00 59.36 59.51 1n5u h GLU 542 Cb 0.69 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 1n5u h GLU 542 CO -0.00 0.86 -0.06 1.96 -1.16 0.00 0.00 179.01 180.61 1n5u h GLN 543 N 0.08 0.91 -0.65 2.33 4.20 -1.42 -2.68 115.11 117.87 1n5u h GLN 543 Ca 0.01 -0.29 -0.05 0.00 0.06 0.00 0.00 58.65 58.37 1n5u h GLN 543 Cb 0.83 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 1n5u h GLN 543 CO 0.06 0.94 0.19 -0.07 -0.67 0.00 0.00 178.83 179.28 1n5u h LEU 544 N 0.82 0.96 -1.28 1.46 3.38 -0.46 -2.63 115.31 117.56 1n5u h LEU 544 Ca 0.14 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1n5u h LEU 544 Cb 0.58 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1n5u h LEU 544 CO 0.04 0.92 0.33 0.11 0.09 0.00 0.00 178.44 179.92 1n5u h LYS 545 N 0.95 0.82 -0.45 1.13 1.57 -1.01 0.17 116.57 119.76 1n5u h LYS 545 Ca 0.21 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1n5u h LYS 545 Cb 0.31 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1n5u h LYS 545 CO -0.00 0.61 0.16 0.00 -0.57 0.00 0.00 179.45 179.64 1n5u h ALA 546 N 1.53 0.59 -0.29 3.86 0.00 -1.15 0.28 119.26 124.08 1n5u h ALA 546 Ca 0.21 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1n5u h ALA 546 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1n5u h ALA 546 CO -0.04 0.23 -0.37 0.28 0.00 0.00 0.00 179.25 179.35 1n5u h VAL 547 N 0.59 1.29 -0.51 0.00 2.07 -1.09 -1.11 116.25 117.50 1n5u h VAL 547 Ca 0.15 -1.53 -0.07 0.00 0.82 0.00 0.00 66.70 66.07 1n5u h VAL 547 Cb 0.24 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1n5u h VAL 547 CO -0.01 0.49 0.03 0.24 0.02 0.00 0.00 177.57 178.34 1n5u h MET 548 N 0.55 0.83 -0.35 1.57 2.07 -0.31 0.29 114.93 119.59 1n5u h MET 548 Ca 0.05 -0.22 -0.16 0.00 -2.07 0.00 0.00 59.70 57.30 1n5u h MET 548 Cb 0.89 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 30.52 1n5u h MET 548 CO 0.08 0.82 -0.42 -0.44 1.07 0.00 0.00 176.91 178.02 1n5u h ASP 549 N 0.78 0.94 -0.47 1.22 3.32 -0.15 0.20 116.42 122.26 1n5u h ASP 549 Ca 0.15 -0.45 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 1n5u h ASP 549 Cb 0.43 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1n5u h ASP 549 CO 0.02 1.23 0.17 0.44 -1.72 0.00 0.00 179.24 179.38 1n5u h ASP 550 N 0.71 0.67 -0.35 6.45 3.32 -0.90 -0.40 116.42 125.92 1n5u h ASP 550 Ca 0.05 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1n5u h ASP 550 Cb 1.01 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 1n5u h ASP 550 CO 0.10 0.68 0.19 0.15 -1.72 0.00 0.00 179.24 178.64 1n5u h PHE 551 N 0.62 0.49 -0.56 4.55 3.57 -0.79 0.28 116.94 125.11 1n5u h PHE 551 Ca 0.15 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1n5u h PHE 551 Cb 0.23 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 1n5u h PHE 551 CO 0.01 0.39 0.28 0.00 -2.23 0.00 0.00 178.31 176.77 1n5u h ALA 552 N 1.05 0.73 -0.16 2.41 0.00 -0.33 0.58 119.26 123.52 1n5u h ALA 552 Ca 0.12 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1n5u h ALA 552 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1n5u h ALA 552 CO -0.02 -0.06 -0.39 0.00 0.00 0.00 0.00 179.25 178.78 1n5u h ALA 553 N 1.31 1.03 0.29 0.00 0.00 -0.77 -2.13 119.26 118.98 1n5u h ALA 553 Ca 0.25 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1n5u h ALA 553 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1n5u h ALA 553 CO -0.18 0.60 -0.14 0.35 0.00 0.00 0.00 179.25 179.89 1n5u h PHE 554 N 0.31 -0.36 -0.16 0.00 3.57 0.12 0.41 116.94 120.82 1n5u h PHE 554 Ca 0.03 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1n5u h PHE 554 Cb 0.82 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 1n5u h PHE 554 CO 0.02 -0.20 -0.10 -0.39 -2.23 0.00 0.00 178.31 175.41 1n5u h VAL 555 N -0.42 1.32 0.00 1.41 -1.51 -0.95 -3.12 116.25 112.99 1n5u h VAL 555 Ca -0.04 -1.18 -0.00 0.00 -1.23 0.00 0.00 66.70 64.25 1n5u h VAL 555 Cb 0.32 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1n5u h VAL 555 CO 0.06 0.35 -0.00 -0.08 -1.23 0.00 0.00 177.57 176.67 1n5u h GLU 556 N 0.01 -0.00 -1.86 5.19 4.22 -1.41 0.37 114.58 121.10 1n5u h GLU 556 Ca 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 1n5u h GLU 556 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1n5u h GLU 556 CO 0.03 0.32 0.01 1.17 -2.18 0.00 0.00 179.01 178.36 1n5u n LYS 557 N -4.94 1.02 0.00 1.92 4.81 0.14 -2.96 118.16 118.15 1n5u n LYS 557 Ca -0.08 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 1n5u n LYS 557 Cb 0.18 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.21 1n5u n LYS 557 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1n5u n LYS 560 N -3.65 2.74 -2.96 0.00 4.01 -1.20 -4.91 118.16 112.19 1n5u n LYS 560 Ca -0.10 -4.54 -0.01 0.00 -0.51 0.00 0.00 58.31 53.15 1n5u n LYS 560 Cb 0.99 -2.37 0.00 0.00 -0.51 0.00 0.00 35.03 33.14 1n5u n LYS 560 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1n5u s ALA 561 N -1.83 -2.71 0.04 7.82 0.00 -1.26 -4.90 121.76 118.91 1n5u s ALA 561 Ca 0.30 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1n5u s ALA 561 Cb -0.00 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1n5u s ALA 561 CO -0.08 -2.29 0.00 -0.25 0.00 0.00 0.00 175.76 173.15 1n5u n ASP 562 N 3.67 -1.88 -4.56 0.00 10.43 -1.26 -3.91 116.55 119.05 1n5u n ASP 562 Ca 0.13 0.17 -0.24 0.00 2.57 0.00 0.00 54.79 57.42 1n5u n ASP 562 Cb 0.58 -0.64 -0.05 0.00 1.84 0.00 0.00 41.12 42.85 1n5u n ASP 562 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1n5u s ASP 563 N -3.43 4.77 -0.18 -2.24 3.68 -1.26 -4.87 116.67 113.14 1n5u s ASP 563 Ca 0.00 -0.34 -0.05 0.00 2.13 0.00 0.00 52.55 54.29 1n5u s ASP 563 Cb 0.00 -2.55 0.06 0.00 -1.45 0.00 0.00 42.92 38.98 1n5u s ASP 563 CO 0.00 -3.05 0.09 -0.54 0.13 0.00 0.00 175.17 171.80 1n5u s LYS 564 N 7.59 0.12 0.00 4.34 1.02 -1.25 -4.87 119.74 126.69 1n5u s LYS 564 Ca 0.77 -0.14 0.01 0.00 0.02 0.00 0.00 55.97 56.64 1n5u s LYS 564 Cb -0.09 -1.83 0.03 0.00 -0.52 0.00 0.00 37.83 35.42 1n5u s LYS 564 CO 0.04 -0.68 0.89 -0.85 -0.92 0.00 0.00 175.35 173.83 1n5u n GLU 565 N 5.26 1.91 -0.02 1.68 0.28 -1.26 -4.45 120.64 124.03 1n5u n GLU 565 Ca -0.07 -1.29 0.05 0.00 -0.16 0.00 0.00 57.16 55.69 1n5u n GLU 565 Cb 0.48 -1.03 -0.11 0.00 1.43 0.00 0.00 31.44 32.22 1n5u n GLU 565 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1n5u n THR 566 N -0.25 0.17 1.04 3.84 -2.24 -1.26 -4.32 114.28 111.25 1n5u n THR 566 Ca 0.01 -0.37 0.06 0.00 -2.27 0.00 0.00 64.05 61.48 1n5u n THR 566 Cb 0.20 0.02 0.34 0.00 -2.10 0.00 0.00 70.33 68.79 1n5u n THR 566 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n5u n PHE 568 N -0.84 0.00 0.00 0.00 3.01 -1.26 -3.55 117.46 114.82 1n5u n PHE 568 Ca 0.09 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.47 1n5u n PHE 568 Cb 0.04 -0.87 -0.06 0.00 -0.01 0.00 0.00 39.48 38.58 1n5u n PHE 568 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1n5u h ALA 569 N 0.47 -0.12 0.01 4.37 0.00 -1.36 -2.10 119.26 120.52 1n5u h ALA 569 Ca -0.49 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.07 1n5u h ALA 569 Cb 1.95 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.80 1n5u h ALA 569 CO -0.02 -0.15 -0.58 1.05 0.00 0.00 0.00 179.25 179.55 1n5u h GLU 570 N -0.97 0.37 0.00 0.00 4.11 -1.28 -2.35 114.58 114.46 1n5u h GLU 570 Ca -0.01 -0.42 -0.06 0.00 0.07 0.00 0.00 59.36 58.94 1n5u h GLU 570 Cb 0.44 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1n5u h GLU 570 CO 0.02 1.10 -0.28 0.93 0.07 0.00 0.00 179.01 180.85 1n5u h GLU 571 N -0.17 0.00 -0.01 1.06 4.39 -1.70 -2.61 114.58 115.54 1n5u h GLU 571 Ca -0.08 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.45 1n5u h GLU 571 Cb 1.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 1n5u h GLU 571 CO 0.11 0.28 -0.79 0.78 -1.16 0.00 0.00 179.01 178.24 1n5u h GLY 572 N 1.73 0.16 1.18 -3.84 0.00 -1.38 -2.41 103.07 98.52 1n5u h GLY 572 Ca -0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1n5u h GLY 572 CO 0.04 0.23 0.09 1.70 0.00 0.00 0.00 176.54 178.59 1n5u h LYS 573 N 0.09 1.00 -0.10 4.80 3.64 -1.03 -0.95 116.57 124.02 1n5u h LYS 573 Ca -0.03 -0.26 -0.20 0.00 -1.27 0.00 0.00 60.65 58.90 1n5u h LYS 573 Cb 1.38 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1n5u h LYS 573 CO 0.11 0.93 -0.75 1.57 -2.27 0.00 0.00 179.45 179.05 1n5u h LYS 574 N 0.94 0.52 0.37 1.90 2.10 -1.48 -1.16 116.57 119.76 1n5u h LYS 574 Ca 0.19 -0.43 -0.02 0.00 -2.00 0.00 0.00 60.65 58.39 1n5u h LYS 574 Cb 0.42 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1n5u h LYS 574 CO 0.01 1.05 -0.18 1.25 -2.00 0.00 0.00 179.45 179.59 1n5u h LEU 575 N 0.35 -0.42 -0.80 7.07 5.85 -1.16 0.48 115.31 126.70 1n5u h LEU 575 Ca -0.04 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1n5u h LEU 575 Cb 1.34 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.43 1n5u h LEU 575 CO 0.14 -0.24 0.51 0.58 -0.34 0.00 0.00 178.44 179.09 1n5u h VAL 576 N -0.56 1.15 -0.28 1.05 2.07 -1.20 0.77 116.25 119.24 1n5u h VAL 576 Ca -0.05 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1n5u h VAL 576 Cb 0.42 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1n5u h VAL 576 CO 0.08 0.19 0.12 0.00 0.02 0.00 0.00 177.57 177.98 1n5u h ALA 577 N 1.32 0.36 -0.32 1.67 0.00 -1.03 -1.09 119.26 120.17 1n5u h ALA 577 Ca 0.31 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1n5u h ALA 577 Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1n5u h ALA 577 CO -0.10 -0.06 -0.25 0.00 0.00 0.00 0.00 179.25 178.85 1n5u h ALA 578 N 0.97 0.97 -0.38 0.00 0.00 -0.57 -2.63 119.26 117.62 1n5u h ALA 578 Ca 0.09 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1n5u h ALA 578 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1n5u h ALA 578 CO -0.01 0.60 -0.04 0.77 0.00 0.00 0.00 179.25 180.57 1n5u h SER 579 N 0.56 0.69 -0.01 0.00 0.02 -0.68 0.58 113.55 114.71 1n5u h SER 579 Ca 0.08 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1n5u h SER 579 Cb 0.72 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1n5u h SER 579 CO 0.06 0.86 -0.01 1.56 -1.14 0.00 0.00 176.83 178.15 1n5u h GLN 580 N 0.51 0.06 0.08 3.45 4.20 -1.08 0.11 115.11 122.44 1n5u h GLN 580 Ca 0.10 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1n5u h GLN 580 Cb 0.53 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1n5u h GLN 580 CO 0.03 0.08 -0.04 0.00 -0.67 0.00 0.00 178.83 178.23 1n5u h ALA 581 N 1.93 -0.10 -0.86 3.87 0.00 -1.07 -2.63 119.26 120.40 1n5u h ALA 581 Ca 0.02 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 54.75 1n5u h ALA 581 Cb 0.07 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 1n5u h ALA 581 CO 0.00 -0.17 0.50 0.00 0.00 0.00 0.00 179.25 179.59 1n5u h ALA 582 N -0.23 1.25 -0.38 0.00 0.00 -0.54 -0.49 119.26 118.87 1n5u h ALA 582 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n5u h ALA 582 Cb 0.59 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1n5u h ALA 582 CO 0.02 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.66 1n5u n LEU 583 N -4.73 3.29 -0.66 0.00 4.77 0.37 -5.09 117.00 114.94 1n5u n LEU 583 Ca 0.15 -1.66 0.13 0.00 -0.03 0.00 0.00 56.01 54.60 1n5u n LEU 583 Cb 0.30 -0.50 0.36 0.00 -2.33 0.00 0.00 43.42 41.26 1n5u n LEU 583 CO 0.27 0.51 0.78 0.61 -1.33 0.00 0.00 177.39 178.23