#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4a n SER 11 N 0.00 0.00 0.00 0.00 2.88 -1.26 -5.17 113.62 110.08 1i4a n SER 11 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1i4a n SER 11 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1i4a n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1i4a n GLY 12 N -0.37 0.51 3.66 0.46 0.00 -1.26 -4.97 105.19 103.23 1i4a n GLY 12 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1i4a n GLY 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i4a s PHE 13 N 3.07 3.38 -0.25 1.61 5.36 -1.26 -5.00 117.98 124.90 1i4a s PHE 13 Ca 0.00 1.31 -0.01 0.00 -0.96 0.00 0.00 56.93 57.27 1i4a s PHE 13 Cb 0.00 -3.10 0.07 0.00 -0.34 0.00 0.00 43.02 39.65 1i4a s PHE 13 CO 0.00 -0.33 0.02 1.21 -1.46 0.00 0.00 175.22 174.65 1i4a s ASN 14 N 1.21 3.65 0.24 6.13 2.47 -1.26 -5.01 114.94 122.37 1i4a s ASN 14 Ca 0.40 -1.23 -0.06 0.00 0.42 0.00 0.00 52.86 52.39 1i4a s ASN 14 Cb -0.16 -0.95 0.30 0.00 -1.45 0.00 0.00 41.25 38.99 1i4a s ASN 14 CO 0.10 -0.31 1.86 0.00 -3.72 0.00 0.00 177.10 175.03 1i4a h ALA 15 N 8.06 1.14 -0.36 1.71 0.00 -1.94 -1.25 119.26 126.61 1i4a h ALA 15 Ca -0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1i4a h ALA 15 Cb 1.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1i4a h ALA 15 CO 0.41 0.31 0.19 0.00 0.00 0.00 0.00 179.25 180.16 1i4a h ALA 16 N 1.38 0.47 -0.65 0.00 0.00 -1.89 0.81 119.26 119.38 1i4a h ALA 16 Ca 0.36 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1i4a h ALA 16 Cb 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1i4a h ALA 16 CO -0.15 0.00 0.23 0.93 0.00 0.00 0.00 179.25 180.26 1i4a h GLU 17 N 0.46 0.99 -0.70 0.00 5.08 -1.89 -1.23 114.58 117.28 1i4a h GLU 17 Ca 0.13 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1i4a h GLU 17 Cb 0.07 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1i4a h GLU 17 CO -0.02 0.85 0.32 -0.44 -1.00 0.00 0.00 179.01 178.71 1i4a h ASP 18 N 0.92 0.91 -0.93 1.42 3.45 -0.96 -1.58 116.42 119.65 1i4a h ASP 18 Ca 0.21 -0.11 0.01 0.00 0.43 0.00 0.00 57.03 57.57 1i4a h ASP 18 Cb 0.25 -0.23 -0.05 0.00 -0.56 0.00 0.00 39.33 38.74 1i4a h ASP 18 CO -0.01 0.79 0.62 0.00 -1.57 0.00 0.00 179.24 179.06 1i4a h ALA 19 N 1.35 1.18 -0.37 3.45 0.00 -0.05 -1.52 119.26 123.30 1i4a h ALA 19 Ca 0.24 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1i4a h ALA 19 Cb 0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1i4a h ALA 19 CO -0.03 0.57 0.07 1.96 0.00 0.00 0.00 179.25 181.83 1i4a h GLN 20 N 1.26 0.61 -0.51 0.00 1.08 -0.38 -1.42 115.11 115.74 1i4a h GLN 20 Ca 0.34 -0.16 0.04 0.00 -1.45 0.00 0.00 58.65 57.43 1i4a h GLN 20 Cb -0.14 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.17 1i4a h GLN 20 CO -0.08 0.66 0.26 1.15 -0.95 0.00 0.00 178.83 179.88 1i4a h THR 21 N 0.45 0.96 -0.52 -0.54 2.02 -0.85 -0.87 112.91 113.56 1i4a h THR 21 Ca 0.11 -0.18 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 1i4a h THR 21 Cb 0.34 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1i4a h THR 21 CO 0.00 0.09 0.03 -0.07 0.37 0.00 0.00 175.52 175.95 1i4a h LEU 22 N 0.51 0.88 -0.52 2.58 4.07 -1.16 -1.49 115.31 120.18 1i4a h LEU 22 Ca 0.23 -0.29 -0.04 0.00 0.08 0.00 0.00 57.88 57.86 1i4a h LEU 22 Cb 0.13 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 1i4a h LEU 22 CO -0.16 0.96 0.19 -0.09 -1.08 0.00 0.00 178.44 178.26 1i4a h ARG 23 N 0.78 0.80 -0.81 1.13 9.65 -0.88 -1.81 114.38 123.24 1i4a h ARG 23 Ca 0.15 -0.16 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1i4a h ARG 23 Cb 0.49 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.90 1i4a h ARG 23 CO 0.02 0.72 0.45 -0.22 2.80 0.00 0.00 179.97 183.74 1i4a h LYS 24 N 0.71 1.13 0.00 0.20 3.11 -1.07 -1.44 116.57 119.21 1i4a h LYS 24 Ca 0.17 -0.13 -0.04 0.00 -2.81 0.00 0.00 60.65 57.85 1i4a h LYS 24 Cb 0.23 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.23 1i4a h LYS 24 CO -0.01 0.83 -0.18 0.00 -2.81 0.00 0.00 179.45 177.28 1i4a h ALA 25 N 1.24 1.60 -0.02 5.00 0.00 -0.80 -2.28 119.26 124.00 1i4a h ALA 25 Ca 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1i4a h ALA 25 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1i4a h ALA 25 CO -0.05 0.23 -0.09 -1.33 0.00 0.00 0.00 179.25 178.01 1i4a n MET 26 N -4.17 1.86 -2.34 0.00 2.81 -0.72 -1.12 117.12 113.43 1i4a n MET 26 Ca -0.02 -1.40 -0.27 0.00 -1.81 0.00 0.00 57.70 54.19 1i4a n MET 26 Cb 0.25 -1.47 0.03 0.00 -0.71 0.00 0.00 33.22 31.32 1i4a n MET 26 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1i4a s LYS 27 N -2.11 2.93 1.55 0.03 -0.14 -0.60 -4.93 119.74 116.47 1i4a s LYS 27 Ca 0.29 0.06 0.00 0.00 -1.36 0.00 0.00 55.97 54.96 1i4a s LYS 27 Cb 0.20 -2.24 0.00 0.00 -1.68 0.00 0.00 37.83 34.11 1i4a s LYS 27 CO 0.37 -0.73 0.00 0.41 -0.76 0.00 0.00 175.35 174.64 1i4a n GLY 28 N -2.63 -1.45 3.72 -3.33 0.00 -1.26 -4.76 105.19 95.48 1i4a n GLY 28 Ca 0.05 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1i4a n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i4a s LEU 29 N 0.00 4.41 0.00 0.99 2.96 -1.26 -4.84 118.68 120.94 1i4a s LEU 29 Ca 0.00 1.89 0.00 0.00 -0.22 0.00 0.00 54.13 55.80 1i4a s LEU 29 Cb 0.00 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.11 1i4a s LEU 29 CO 0.00 -0.31 0.00 0.61 -1.32 0.00 0.00 176.35 175.33 1i4a n GLY 30 N 2.78 -1.67 3.08 7.98 0.00 -1.26 -4.94 105.19 111.16 1i4a n GLY 30 Ca 0.06 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 1i4a n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i4a s THR 31 N 0.00 -0.03 -1.27 2.61 2.01 -1.26 -4.71 115.64 113.00 1i4a s THR 31 Ca 0.00 0.10 -0.16 0.00 0.31 0.00 0.00 61.69 61.95 1i4a s THR 31 Cb 0.00 -0.37 0.12 0.00 0.01 0.00 0.00 72.50 72.26 1i4a s THR 31 CO 0.00 0.04 1.63 -0.67 -0.69 0.00 0.00 174.62 174.93 1i4a n ASP 32 N 3.85 5.04 0.18 3.53 -0.08 -0.27 -4.80 116.55 123.99 1i4a n ASP 32 Ca -0.22 -2.95 0.06 0.00 -1.51 0.00 0.00 54.79 50.18 1i4a n ASP 32 Cb 0.55 -1.65 0.55 0.00 2.34 0.00 0.00 41.12 42.91 1i4a n ASP 32 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1i4a h GLU 33 N 7.24 0.17 -0.30 -0.67 5.08 -1.98 -1.91 114.58 122.20 1i4a h GLU 33 Ca 0.39 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.66 1i4a h GLU 33 Cb 0.85 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1i4a h GLU 33 CO 1.38 0.14 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.96 1i4a h ASP 34 N 0.17 0.50 -0.47 1.42 3.45 -1.99 0.41 116.42 119.91 1i4a h ASP 34 Ca 0.04 -0.14 -0.11 0.00 0.43 0.00 0.00 57.03 57.26 1i4a h ASP 34 Cb 0.03 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.65 1i4a h ASP 34 CO -0.01 0.67 -0.11 0.00 -1.57 0.00 0.00 179.24 178.22 1i4a h ALA 35 N 1.38 0.65 -0.15 3.45 0.00 -1.76 0.11 119.26 122.95 1i4a h ALA 35 Ca 0.09 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1i4a h ALA 35 Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1i4a h ALA 35 CO 0.03 0.56 0.08 0.82 0.00 0.00 0.00 179.25 180.74 1i4a h ILE 36 N 0.76 1.11 -0.01 0.00 2.04 -1.10 -2.82 117.51 117.49 1i4a h ILE 36 Ca 0.12 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1i4a h ILE 36 Cb 0.67 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1i4a h ILE 36 CO 0.05 0.10 0.01 0.40 0.00 0.00 0.00 178.15 178.70 1i4a h ILE 37 N 0.14 1.03 0.00 -0.67 2.04 -0.77 -1.34 117.51 117.94 1i4a h ILE 37 Ca 0.05 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1i4a h ILE 37 Cb 0.09 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1i4a h ILE 37 CO -0.01 0.02 0.32 0.78 0.00 0.00 0.00 178.15 179.27 1i4a h ASN 38 N -0.01 0.00 0.00 1.72 4.21 -0.61 -1.35 115.58 119.54 1i4a h ASN 38 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1i4a h ASN 38 Cb 0.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 1i4a h ASN 38 CO -0.00 0.00 0.00 0.52 -1.29 0.00 0.00 177.43 176.66 1i4a n VAL 39 N -2.67 0.00 -0.32 2.81 0.31 -0.92 -4.52 118.33 113.01 1i4a n VAL 39 Ca -0.02 0.44 0.09 0.00 -0.01 0.00 0.00 64.34 64.85 1i4a n VAL 39 Cb 0.36 -1.44 0.26 0.00 -0.91 0.00 0.00 33.84 32.11 1i4a n VAL 39 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1i4a h LEU 40 N 0.00 0.65 -0.10 7.52 3.38 -1.22 -0.14 115.31 125.40 1i4a h LEU 40 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1i4a h LEU 40 Cb 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1i4a h LEU 40 CO 0.00 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.79 1i4a n ALA 41 N -2.38 1.74 -1.52 1.53 0.00 -0.51 -2.73 120.51 116.64 1i4a n ALA 41 Ca 0.20 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.65 1i4a n ALA 41 Cb 0.49 -1.29 0.20 0.00 0.00 0.00 0.00 19.45 18.85 1i4a n ALA 41 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1i4a n TYR 42 N -1.62 0.22 -4.17 0.00 4.02 -0.08 -4.89 117.16 110.64 1i4a n TYR 42 Ca 0.04 -1.47 -0.14 0.00 -0.01 0.00 0.00 57.90 56.32 1i4a n TYR 42 Cb 0.20 -0.29 -0.11 0.00 -0.02 0.00 0.00 39.34 39.12 1i4a n TYR 42 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1i4a s ARG 43 N -3.20 0.84 0.68 -0.72 1.81 -1.11 -5.02 118.95 112.23 1i4a s ARG 43 Ca 0.39 -1.15 -0.09 0.00 -1.72 0.00 0.00 55.73 53.16 1i4a s ARG 43 Cb 0.37 -0.53 0.03 0.00 -0.45 0.00 0.00 34.95 34.37 1i4a s ARG 43 CO -0.05 0.08 1.04 -1.54 -0.68 0.00 0.00 175.30 174.15 1i4a s SER 44 N -2.42 5.31 0.24 0.23 1.04 -1.26 -4.85 113.70 112.00 1i4a s SER 44 Ca 0.05 0.89 -0.05 0.00 0.48 0.00 0.00 55.95 57.31 1i4a s SER 44 Cb -0.03 -1.69 0.33 0.00 0.10 0.00 0.00 66.02 64.72 1i4a s SER 44 CO -0.00 -1.35 1.86 0.74 0.98 0.00 0.00 173.24 175.47 1i4a h THR 45 N -0.55 1.07 -0.54 2.02 2.02 -1.95 0.58 112.91 115.55 1i4a h THR 45 Ca -0.45 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 1i4a h THR 45 Cb 1.27 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1i4a h THR 45 CO 0.63 0.18 0.28 0.00 0.37 0.00 0.00 175.52 176.98 1i4a h ALA 46 N 1.40 0.70 -0.58 6.16 0.00 -1.95 -2.36 119.26 122.63 1i4a h ALA 46 Ca 0.37 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1i4a h ALA 46 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1i4a h ALA 46 CO -0.16 0.24 0.04 1.96 0.00 0.00 0.00 179.25 181.33 1i4a h GLN 47 N 0.73 0.97 -0.24 0.00 4.20 -1.64 -2.47 115.11 116.67 1i4a h GLN 47 Ca 0.19 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1i4a h GLN 47 Cb 0.08 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1i4a h GLN 47 CO -0.03 0.94 0.14 0.00 -0.67 0.00 0.00 178.83 179.20 1i4a h ARG 48 N 0.91 0.32 -0.26 1.46 3.08 -0.55 -0.43 114.38 118.90 1i4a h ARG 48 Ca 0.17 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 1i4a h ARG 48 Cb 0.47 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1i4a h ARG 48 CO 0.02 0.23 -0.40 1.96 -1.07 0.00 0.00 179.97 180.71 1i4a h GLN 49 N 0.32 0.61 -0.08 0.04 1.08 -0.97 -1.59 115.11 114.52 1i4a h GLN 49 Ca 0.09 -0.31 -0.11 0.00 -1.45 0.00 0.00 58.65 56.87 1i4a h GLN 49 Cb 0.00 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1i4a h GLN 49 CO -0.02 0.90 -0.44 0.93 -0.95 0.00 0.00 178.83 179.26 1i4a h GLU 50 N 0.50 0.19 -0.52 1.46 5.08 -0.99 -2.37 114.58 117.93 1i4a h GLU 50 Ca 0.04 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 1i4a h GLU 50 Cb 0.91 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1i4a h GLU 50 CO 0.08 0.59 -0.10 0.82 -1.00 0.00 0.00 179.01 179.40 1i4a h ILE 51 N 0.16 1.27 -0.51 3.13 2.04 -0.77 0.25 117.51 123.07 1i4a h ILE 51 Ca 0.01 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.63 1i4a h ILE 51 Cb 0.84 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1i4a h ILE 51 CO 0.07 0.44 0.33 0.03 0.00 0.00 0.00 178.15 179.02 1i4a h ARG 52 N 0.85 0.66 -0.33 2.37 3.08 -1.00 0.14 114.38 120.16 1i4a h ARG 52 Ca 0.13 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1i4a h ARG 52 Cb 0.66 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1i4a h ARG 52 CO 0.05 0.44 0.13 1.15 -1.07 0.00 0.00 179.97 180.66 1i4a h THR 53 N 0.68 1.19 -0.37 2.04 2.02 -1.18 -2.31 112.91 114.99 1i4a h THR 53 Ca 0.19 -0.58 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 1i4a h THR 53 Cb -0.07 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1i4a h THR 53 CO -0.05 0.20 -0.08 0.00 0.37 0.00 0.00 175.52 175.97 1i4a h ALA 54 N 0.97 1.18 -0.32 6.16 0.00 -0.58 -2.07 119.26 124.60 1i4a h ALA 54 Ca 0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1i4a h ALA 54 Cb 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1i4a h ALA 54 CO -0.01 0.53 0.08 -0.92 0.00 0.00 0.00 179.25 178.93 1i4a h TYR 55 N 0.58 0.53 -0.52 0.00 5.03 -0.54 0.16 116.97 122.20 1i4a h TYR 55 Ca 0.11 -0.06 -0.09 0.00 2.58 0.00 0.00 58.73 61.27 1i4a h TYR 55 Cb 0.48 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.59 1i4a h TYR 55 CO 0.02 0.55 -0.04 -0.22 -1.32 0.00 0.00 178.16 177.15 1i4a h LYS 56 N 0.35 0.91 0.04 1.82 3.64 -1.28 0.43 116.57 122.48 1i4a h LYS 56 Ca 0.10 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1i4a h LYS 56 Cb 0.28 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1i4a h LYS 56 CO 0.00 0.93 -0.02 1.15 -2.27 0.00 0.00 179.45 179.24 1i4a h THR 57 N 0.83 1.19 -0.11 1.00 2.02 -1.23 0.11 112.91 116.71 1i4a h THR 57 Ca 0.15 -0.76 -0.20 0.00 0.77 0.00 0.00 66.41 66.37 1i4a h THR 57 Cb 0.55 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1i4a h THR 57 CO 0.03 0.19 -0.75 0.74 0.37 0.00 0.00 175.52 176.10 1i4a h THR 58 N -0.39 1.34 0.00 3.16 2.02 -0.62 -3.37 112.91 115.04 1i4a h THR 58 Ca -0.01 -2.07 -0.18 0.00 0.77 0.00 0.00 66.41 64.92 1i4a h THR 58 Cb 0.36 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.79 1i4a h THR 58 CO 0.01 0.64 -1.97 -0.38 0.37 0.00 0.00 175.52 174.18 1i4a n ILE 59 N -3.88 0.67 -1.32 3.11 2.08 0.15 -5.00 119.36 115.17 1i4a n ILE 59 Ca -0.06 -0.57 -0.03 0.00 0.56 0.00 0.00 62.75 62.66 1i4a n ILE 59 Cb 0.72 -0.31 -0.01 0.00 -0.75 0.00 0.00 39.64 39.29 1i4a n ILE 59 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1i4a n GLY 60 N 1.83 0.53 3.30 7.39 0.00 0.38 -5.01 105.19 113.60 1i4a n GLY 60 Ca -0.17 -0.89 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 1i4a n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i4a s ARG 61 N -2.72 1.26 -0.30 1.61 0.52 -1.25 -5.04 118.95 113.02 1i4a s ARG 61 Ca 0.00 -1.62 -0.15 0.00 -0.52 0.00 0.00 55.73 53.44 1i4a s ARG 61 Cb 0.00 -0.50 -0.03 0.00 0.52 0.00 0.00 34.95 34.94 1i4a s ARG 61 CO 0.00 -0.10 0.36 0.34 0.02 0.00 0.00 175.30 175.92 1i4a s ASP 62 N -3.26 6.20 0.22 0.23 -1.08 -1.26 -3.51 116.67 114.21 1i4a s ASP 62 Ca 0.27 0.04 -0.08 0.00 -0.52 0.00 0.00 52.55 52.26 1i4a s ASP 62 Cb 0.06 -2.20 0.31 0.00 -1.46 0.00 0.00 42.92 39.62 1i4a s ASP 62 CO 0.07 -0.25 1.77 0.25 0.52 0.00 0.00 175.17 177.53 1i4a h LEU 63 N 8.66 0.38 -0.46 -1.34 5.85 -1.92 -1.55 115.31 124.92 1i4a h LEU 63 Ca -0.31 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 1i4a h LEU 63 Cb 1.16 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1i4a h LEU 63 CO 0.66 0.22 0.19 0.24 -0.34 0.00 0.00 178.44 179.41 1i4a h MET 64 N 0.53 0.69 -0.43 1.25 2.86 -1.96 -0.87 114.93 117.01 1i4a h MET 64 Ca 0.33 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1i4a h MET 64 Cb 0.36 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1i4a h MET 64 CO -0.27 0.62 0.20 -0.44 1.06 0.00 0.00 176.91 178.08 1i4a h ASP 65 N 0.61 0.56 -0.61 1.22 3.32 -1.89 -1.59 116.42 118.03 1i4a h ASP 65 Ca 0.16 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1i4a h ASP 65 Cb 0.18 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1i4a h ASP 65 CO -0.01 0.53 0.25 0.44 -1.72 0.00 0.00 179.24 178.72 1i4a h ASP 66 N 0.55 0.84 -0.71 6.45 3.32 -1.13 -1.38 116.42 124.36 1i4a h ASP 66 Ca 0.15 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1i4a h ASP 66 Cb 0.12 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1i4a h ASP 66 CO -0.02 0.78 0.45 -0.07 -1.72 0.00 0.00 179.24 178.67 1i4a h LEU 67 N 0.85 0.83 -1.12 1.55 3.38 -0.98 -0.77 115.31 119.06 1i4a h LEU 67 Ca 0.20 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1i4a h LEU 67 Cb 0.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1i4a h LEU 67 CO -0.02 0.62 0.01 0.11 0.09 0.00 0.00 178.44 179.25 1i4a h LYS 68 N 0.96 0.63 0.00 1.13 1.57 -0.95 -0.01 116.57 119.90 1i4a h LYS 68 Ca 0.26 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1i4a h LYS 68 Cb -0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1i4a h LYS 68 CO -0.05 0.64 -0.32 0.66 -0.57 0.00 0.00 179.45 179.81 1i4a h SER 69 N 0.60 0.00 0.35 0.86 4.64 -0.82 -3.34 113.55 115.83 1i4a h SER 69 Ca 0.13 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.13 1i4a h SER 69 Cb 0.37 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.40 1i4a h SER 69 CO 0.01 0.26 -1.90 -0.62 -0.87 0.00 0.00 176.83 173.72 1i4a n GLU 70 N -3.14 0.65 -3.95 4.77 -0.58 -0.33 -4.99 120.64 113.07 1i4a n GLU 70 Ca 0.02 0.22 -0.22 0.00 -0.42 0.00 0.00 57.16 56.76 1i4a n GLU 70 Cb 0.64 -1.72 -0.05 0.00 -0.57 0.00 0.00 31.44 29.74 1i4a n GLU 70 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1i4a s LEU 71 N -5.95 3.41 0.24 -4.62 1.43 -0.05 -4.94 118.68 108.20 1i4a s LEU 71 Ca -0.07 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.27 1i4a s LEU 71 Cb 0.07 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1i4a s LEU 71 CO 0.82 -0.35 0.41 -0.94 0.23 0.00 0.00 176.35 176.53 1i4a s SER 72 N -3.93 -0.05 0.91 2.29 1.04 -1.26 -4.80 113.70 107.91 1i4a s SER 72 Ca 0.40 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1i4a s SER 72 Cb -0.04 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1i4a s SER 72 CO 0.25 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1i4a n GLY 73 N -0.36 0.94 0.37 7.32 0.00 -1.26 -2.08 105.19 110.12 1i4a n GLY 73 Ca -0.01 -0.77 0.07 0.00 0.00 0.00 0.00 46.02 45.31 1i4a n GLY 73 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1i4a h ASN 74 N 2.28 0.88 -0.41 1.61 2.35 -2.01 -0.37 115.58 119.91 1i4a h ASN 74 Ca 0.00 0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1i4a h ASN 74 Cb 0.00 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1i4a h ASN 74 CO 0.00 0.51 0.24 0.15 -1.65 0.00 0.00 177.43 176.67 1i4a h PHE 75 N 0.97 0.44 -0.50 1.19 3.57 -1.93 0.50 116.94 121.18 1i4a h PHE 75 Ca 0.45 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.96 1i4a h PHE 75 Cb 0.41 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1i4a h PHE 75 CO -0.00 0.26 0.31 1.49 -2.23 0.00 0.00 178.31 178.14 1i4a h GLU 76 N 0.48 0.68 -0.78 1.11 4.81 -0.66 -1.37 114.58 118.86 1i4a h GLU 76 Ca 0.16 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1i4a h GLU 76 Cb 0.01 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 1i4a h GLU 76 CO -0.08 0.48 0.49 0.37 -0.73 0.00 0.00 179.01 179.55 1i4a h GLN 77 N 0.68 1.04 -0.21 1.92 4.15 -0.41 -0.80 115.11 121.48 1i4a h GLN 77 Ca 0.18 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 1i4a h GLN 77 Cb -0.03 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.43 1i4a h GLN 77 CO -0.04 0.71 -0.12 -0.39 -1.93 0.00 0.00 178.83 177.06 1i4a h VAL 78 N 1.06 1.31 -0.29 2.39 -1.51 -0.63 -1.78 116.25 116.80 1i4a h VAL 78 Ca 0.28 -1.21 -0.00 0.00 -1.23 0.00 0.00 66.70 64.54 1i4a h VAL 78 Cb -0.08 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 1i4a h VAL 78 CO -0.06 0.37 0.17 0.40 -1.23 0.00 0.00 177.57 177.23 1i4a h ILE 79 N 0.15 1.10 -0.48 7.19 1.08 -1.09 -0.53 117.51 124.92 1i4a h ILE 79 Ca 0.04 -0.24 -0.04 0.00 -0.39 0.00 0.00 64.86 64.23 1i4a h ILE 79 Cb 0.63 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 1i4a h ILE 79 CO 0.03 0.10 0.12 -0.07 -0.69 0.00 0.00 178.15 177.65 1i4a h LEU 80 N 0.37 0.67 -0.51 1.44 3.38 -1.17 -1.66 115.31 117.83 1i4a h LEU 80 Ca 0.10 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1i4a h LEU 80 Cb 0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1i4a h LEU 80 CO -0.02 0.66 0.17 1.23 0.09 0.00 0.00 178.44 180.57 1i4a h GLY 81 N 0.90 0.85 1.87 0.83 0.00 -0.84 -2.30 103.07 104.39 1i4a h GLY 81 Ca 0.16 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1i4a h GLY 81 CO -0.00 0.47 -0.11 -0.33 0.00 0.00 0.00 176.54 176.57 1i4a h MET 82 N 0.70 0.16 0.00 4.80 2.86 -0.60 -2.49 114.93 120.35 1i4a h MET 82 Ca 0.17 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1i4a h MET 82 Cb 0.26 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1i4a h MET 82 CO -0.01 0.28 -0.07 -1.33 1.06 0.00 0.00 176.91 176.84 1i4a n MET 83 N -4.33 0.25 -3.02 1.72 2.00 -0.67 -4.81 117.12 108.27 1i4a n MET 83 Ca -0.01 0.19 -0.40 0.00 0.00 0.00 0.00 57.70 57.48 1i4a n MET 83 Cb 0.23 -1.78 -0.05 0.00 0.00 0.00 0.00 33.22 31.62 1i4a n MET 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1i4a s THR 84 N -3.10 4.82 0.50 2.03 2.01 -0.91 -4.80 115.64 116.19 1i4a s THR 84 Ca 0.10 1.55 -0.23 0.00 0.31 0.00 0.00 61.69 63.43 1i4a s THR 84 Cb 0.13 -4.08 -0.07 0.00 0.01 0.00 0.00 72.50 68.49 1i4a s THR 84 CO 0.61 0.34 1.21 -2.65 -0.69 0.00 0.00 174.62 173.44 1i4a n PRO 85 N 3.03 1.58 -0.23 4.92 -0.02 -1.26 -4.68 135.00 138.35 1i4a n PRO 85 Ca -0.03 0.58 -0.07 0.00 -2.02 0.00 0.00 63.50 61.96 1i4a n PRO 85 Cb 0.51 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1i4a n PRO 85 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1i4a h THR 86 N 1.49 0.10 -0.12 3.45 2.02 -1.95 0.30 112.91 118.19 1i4a h THR 86 Ca -0.49 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1i4a h THR 86 Cb 1.32 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1i4a h THR 86 CO 0.57 0.00 0.04 0.58 0.37 0.00 0.00 175.52 177.08 1i4a h VAL 87 N -0.18 1.17 -0.39 3.16 2.07 -1.99 -2.85 116.25 117.23 1i4a h VAL 87 Ca 0.21 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1i4a h VAL 87 Cb 0.56 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1i4a h VAL 87 CO -0.72 0.15 0.17 0.25 0.02 0.00 0.00 177.57 177.44 1i4a h LEU 88 N 0.02 0.49 -0.42 2.57 5.85 -1.83 -1.44 115.31 120.55 1i4a h LEU 88 Ca 0.04 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1i4a h LEU 88 Cb 0.20 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1i4a h LEU 88 CO -0.00 0.43 0.18 0.22 -0.34 0.00 0.00 178.44 178.93 1i4a h TYR 89 N 0.55 0.64 -0.57 1.25 3.20 -0.81 0.11 116.97 121.33 1i4a h TYR 89 Ca 0.14 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1i4a h TYR 89 Cb 0.09 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1i4a h TYR 89 CO 0.00 0.55 0.28 -0.44 -1.64 0.00 0.00 178.16 176.91 1i4a h ASP 90 N 0.54 0.75 -0.25 -2.11 3.32 -1.20 -0.45 116.42 117.02 1i4a h ASP 90 Ca 0.14 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1i4a h ASP 90 Cb 0.18 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1i4a h ASP 90 CO -0.01 0.67 0.16 0.58 -1.72 0.00 0.00 179.24 178.91 1i4a h VAL 91 N 0.78 1.08 0.00 -1.35 2.07 -0.92 -1.24 116.25 116.66 1i4a h VAL 91 Ca 0.20 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 1i4a h VAL 91 Cb 0.12 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1i4a h VAL 91 CO -0.02 0.07 -0.31 1.56 0.02 0.00 0.00 177.57 178.89 1i4a h GLN 92 N 0.32 0.00 -0.01 1.57 4.20 -0.61 -1.82 115.11 118.76 1i4a h GLN 92 Ca 0.09 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.59 1i4a h GLN 92 Cb -0.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1i4a h GLN 92 CO -0.02 0.31 -0.87 0.93 -0.67 0.00 0.00 178.83 178.51 1i4a h GLU 93 N 0.00 0.33 -0.27 1.46 4.39 -0.64 -1.87 114.58 117.98 1i4a h GLU 93 Ca -0.00 -0.33 -0.17 0.00 0.34 0.00 0.00 59.36 59.19 1i4a h GLU 93 Cb 0.69 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1i4a h GLU 93 CO 0.04 1.02 -0.52 -0.07 -1.16 0.00 0.00 179.01 178.32 1i4a h LEU 94 N 0.19 0.86 -0.19 1.33 3.38 -0.98 -1.54 115.31 118.36 1i4a h LEU 94 Ca -0.06 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 1i4a h LEU 94 Cb 1.49 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1i4a h LEU 94 CO 0.14 1.22 0.05 -0.09 0.09 0.00 0.00 178.44 179.85 1i4a h ARG 95 N 0.61 0.30 -0.60 1.13 9.65 -1.33 -2.57 114.38 121.58 1i4a h ARG 95 Ca 0.02 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1i4a h ARG 95 Cb 1.10 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.61 1i4a h ARG 95 CO 0.11 0.42 0.38 -0.22 2.80 0.00 0.00 179.97 183.46 1i4a h LYS 96 N 0.13 0.79 0.00 0.20 3.64 -1.28 -0.35 116.57 119.70 1i4a h LYS 96 Ca 0.06 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1i4a h LYS 96 Cb 0.25 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1i4a h LYS 96 CO -0.00 0.54 -0.11 0.00 -2.27 0.00 0.00 179.45 177.61 1i4a h ALA 97 N 1.61 1.71 -0.02 5.00 0.00 -0.90 -3.09 119.26 123.57 1i4a h ALA 97 Ca 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1i4a h ALA 97 Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1i4a h ALA 97 CO -0.04 0.13 -0.24 -1.33 0.00 0.00 0.00 179.25 177.76 1i4a n MET 98 N -4.24 1.58 -3.39 0.00 2.81 -0.27 -0.92 117.12 112.68 1i4a n MET 98 Ca -0.03 -1.06 -0.33 0.00 -1.81 0.00 0.00 57.70 54.48 1i4a n MET 98 Cb 0.18 -1.31 -0.05 0.00 -0.71 0.00 0.00 33.22 31.33 1i4a n MET 98 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1i4a s LYS 99 N -1.82 3.84 0.04 0.03 2.36 -0.43 -4.91 119.74 118.85 1i4a s LYS 99 Ca 0.16 0.33 0.00 0.00 -2.55 0.00 0.00 55.97 53.91 1i4a s LYS 99 Cb 0.14 -2.69 0.00 0.00 -1.05 0.00 0.00 37.83 34.23 1i4a s LYS 99 CO 0.36 0.34 0.00 0.41 1.55 0.00 0.00 175.35 178.01 1i4a n GLY 100 N 0.02 -1.73 0.15 5.54 0.00 -1.26 -4.65 105.19 103.25 1i4a n GLY 100 Ca -0.00 -2.03 -0.24 0.00 0.00 0.00 0.00 46.02 43.75 1i4a n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i4a h ALA 101 N 0.00 0.00 -2.32 4.61 0.00 -1.99 -3.46 119.26 116.09 1i4a h ALA 101 Ca 0.00 -1.00 -0.50 0.00 0.00 0.00 0.00 54.91 53.41 1i4a h ALA 101 Cb 0.00 0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1i4a h ALA 101 CO 0.00 0.85 0.07 0.20 0.00 0.00 0.00 179.25 180.37 1i4a s GLY 102 N -4.87 1.74 -0.13 0.00 0.00 -1.26 -5.09 107.32 97.72 1i4a s GLY 102 Ca -0.13 -0.39 0.02 0.00 0.00 0.00 0.00 44.72 44.23 1i4a s GLY 102 CO 0.89 -0.22 -0.20 -1.59 0.00 0.00 0.00 173.10 171.98 1i4a s THR 103 N -2.47 1.92 -1.26 0.90 2.01 -1.26 -4.60 115.64 110.88 1i4a s THR 103 Ca 0.48 -0.89 -0.18 0.00 0.31 0.00 0.00 61.69 61.42 1i4a s THR 103 Cb -0.10 -1.71 0.09 0.00 0.01 0.00 0.00 72.50 70.78 1i4a s THR 103 CO 0.36 0.52 1.66 -0.62 -0.69 0.00 0.00 174.62 175.85 1i4a s ASP 104 N 0.89 6.85 0.44 3.53 -1.08 -0.10 -4.78 116.67 122.42 1i4a s ASP 104 Ca -0.06 -2.46 0.13 0.00 -0.52 0.00 0.00 52.55 49.63 1i4a s ASP 104 Cb -0.15 -2.55 0.97 0.00 -1.46 0.00 0.00 42.92 39.73 1i4a s ASP 104 CO -0.03 -1.12 2.00 -0.33 0.52 0.00 0.00 175.17 176.21 1i4a h GLU 105 N 7.69 0.10 -0.79 4.34 5.08 -1.97 -2.39 114.58 126.65 1i4a h GLU 105 Ca 0.40 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.71 1i4a h GLU 105 Cb 0.88 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1i4a h GLU 105 CO 1.42 0.22 0.36 0.78 -1.00 0.00 0.00 179.01 180.78 1i4a h GLY 106 N 0.52 1.23 1.00 -3.84 0.00 -2.00 -1.24 103.07 98.75 1i4a h GLY 106 Ca 0.02 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.66 1i4a h GLY 106 CO 0.02 0.60 0.13 0.00 0.00 0.00 0.00 176.54 177.29 1i4a h LEU 108 N 0.78 0.62 0.24 0.00 3.38 -1.23 -1.73 115.31 117.37 1i4a h LEU 108 Ca 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1i4a h LEU 108 Cb 0.34 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1i4a h LEU 108 CO 0.00 0.43 -0.12 0.40 0.09 0.00 0.00 178.44 179.25 1i4a h ILE 109 N 0.75 0.82 -0.54 1.22 2.04 -0.98 -1.43 117.51 119.40 1i4a h ILE 109 Ca 0.25 -0.53 0.11 0.00 1.00 0.00 0.00 64.86 65.69 1i4a h ILE 109 Cb 0.02 1.12 -0.11 0.00 -0.74 0.00 0.00 36.82 37.12 1i4a h ILE 109 CO -0.10 0.11 -0.18 -0.08 0.00 0.00 0.00 178.15 177.90 1i4a h GLU 110 N -0.60 -0.05 -0.02 2.37 4.81 -0.71 0.68 114.58 121.06 1i4a h GLU 110 Ca -0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1i4a h GLU 110 Cb 0.43 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1i4a h GLU 110 CO 0.05 -0.04 -0.05 0.82 -0.73 0.00 0.00 179.01 179.07 1i4a h ILE 111 N -0.05 1.47 0.00 2.32 2.04 -1.35 -2.87 117.51 119.06 1i4a h ILE 111 Ca 0.25 -1.46 -0.05 0.00 1.00 0.00 0.00 64.86 64.61 1i4a h ILE 111 Cb 0.45 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 1i4a h ILE 111 CO -0.58 0.39 -0.23 -0.07 0.00 0.00 0.00 178.15 177.65 1i4a h LEU 112 N -0.51 0.00 0.00 1.44 3.38 -1.02 -2.33 115.31 116.27 1i4a h LEU 112 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1i4a h LEU 112 Cb 0.66 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1i4a h LEU 112 CO 0.01 0.23 -1.38 0.00 0.09 0.00 0.00 178.44 177.39 1i4a h ALA 113 N 1.77 0.67 0.00 1.53 0.00 -0.97 -3.40 119.26 118.86 1i4a h ALA 113 Ca -0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 54.91 53.78 1i4a h ALA 113 Cb 0.63 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1i4a h ALA 113 CO 0.03 1.10 -1.58 -1.13 0.00 0.00 0.00 179.25 177.67 1i4a n SER 114 N -3.00 0.59 -4.85 0.00 3.41 -1.08 -4.79 113.62 103.91 1i4a n SER 114 Ca -0.10 0.25 -0.32 0.00 -0.26 0.00 0.00 58.87 58.45 1i4a n SER 114 Cb 0.90 0.64 -0.04 0.00 -0.26 0.00 0.00 64.21 65.44 1i4a n SER 114 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1i4a s ARG 115 N -3.04 3.97 0.66 4.33 3.00 -0.89 -5.05 118.95 121.93 1i4a s ARG 115 Ca -0.04 0.86 -0.12 0.00 0.00 0.00 0.00 55.73 56.42 1i4a s ARG 115 Cb 0.09 -2.23 -0.01 0.00 0.00 0.00 0.00 34.95 32.81 1i4a s ARG 115 CO 0.83 -0.13 1.05 0.95 0.00 0.00 0.00 175.30 178.00 1i4a s THR 116 N -2.42 4.01 0.46 0.02 -4.23 -1.26 -4.83 115.64 107.39 1i4a s THR 116 Ca 0.57 0.75 0.18 0.00 -1.18 0.00 0.00 61.69 62.01 1i4a s THR 116 Cb -0.10 -3.43 0.36 0.00 1.34 0.00 0.00 72.50 70.68 1i4a s THR 116 CO 0.26 -0.76 1.95 -0.65 -0.54 0.00 0.00 174.62 174.89 1i4a h PRO 117 N -0.30 0.29 -0.12 3.99 0.11 -1.92 0.19 132.00 134.24 1i4a h PRO 117 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1i4a h PRO 117 Cb 1.21 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1i4a h PRO 117 CO 0.57 0.19 -0.00 1.49 -0.21 0.00 0.00 178.00 180.04 1i4a h GLU 118 N 0.30 0.22 -0.36 1.05 4.57 -1.91 -0.89 114.58 117.55 1i4a h GLU 118 Ca 0.32 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.38 1i4a h GLU 118 Cb 0.83 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 1i4a h GLU 118 CO -0.08 0.47 0.02 0.93 -1.18 0.00 0.00 179.01 179.17 1i4a h GLU 119 N -0.06 0.56 -0.51 1.92 5.08 -1.52 -2.42 114.58 117.62 1i4a h GLU 119 Ca 0.03 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1i4a h GLU 119 Cb 0.37 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1i4a h GLU 119 CO 0.01 0.57 -0.17 0.82 -1.00 0.00 0.00 179.01 179.23 1i4a h ILE 120 N 0.54 1.27 -0.88 3.13 2.04 -0.86 -0.61 117.51 122.13 1i4a h ILE 120 Ca 0.12 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 1i4a h ILE 120 Cb 0.31 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1i4a h ILE 120 CO 0.01 0.47 0.46 0.03 0.00 0.00 0.00 178.15 179.12 1i4a h ARG 121 N 0.88 1.24 -0.36 2.37 3.08 -0.73 0.13 114.38 120.99 1i4a h ARG 121 Ca 0.12 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1i4a h ARG 121 Cb 0.75 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1i4a h ARG 121 CO 0.06 0.92 -0.04 0.00 -1.07 0.00 0.00 179.97 179.84 1i4a h ARG 122 N 1.23 0.66 -0.95 0.04 3.08 -1.23 -2.61 114.38 114.60 1i4a h ARG 122 Ca 0.31 -0.23 0.04 0.00 0.07 0.00 0.00 59.98 60.17 1i4a h ARG 122 Cb 0.06 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.00 1i4a h ARG 122 CO -0.05 0.79 0.62 0.82 -1.07 0.00 0.00 179.97 181.09 1i4a h ILE 123 N 0.46 1.14 0.39 2.04 2.04 -0.57 -1.60 117.51 121.42 1i4a h ILE 123 Ca 0.10 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1i4a h ILE 123 Cb 0.52 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1i4a h ILE 123 CO 0.03 0.21 -0.34 0.78 0.00 0.00 0.00 178.15 178.83 1i4a h ASN 124 N 1.18 -0.92 -0.81 1.72 2.35 -0.40 0.21 115.58 118.91 1i4a h ASN 124 Ca 0.39 0.07 0.11 0.00 -0.55 0.00 0.00 56.30 56.31 1i4a h ASN 124 Cb 0.06 0.29 -0.08 0.00 0.05 0.00 0.00 38.32 38.64 1i4a h ASN 124 CO -0.13 -0.47 0.44 0.06 -1.65 0.00 0.00 177.43 175.68 1i4a h GLN 125 N -0.72 0.69 -0.47 0.81 3.07 -1.37 -1.16 115.11 115.96 1i4a h GLN 125 Ca -0.05 -0.04 -0.08 0.00 0.09 0.00 0.00 58.65 58.56 1i4a h GLN 125 Cb 0.61 -0.16 -0.02 0.00 0.08 0.00 0.00 27.48 27.99 1i4a h GLN 125 CO -0.01 0.46 -0.05 1.15 0.09 0.00 0.00 178.83 180.47 1i4a h THR 126 N 0.71 1.25 -0.26 1.86 2.02 -1.11 -1.64 112.91 115.75 1i4a h THR 126 Ca 0.40 -1.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 1i4a h THR 126 Cb 0.44 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1i4a h THR 126 CO -0.28 0.38 0.15 0.22 0.37 0.00 0.00 175.52 176.36 1i4a h TYR 127 N 0.74 0.36 -0.42 3.16 3.20 0.56 -0.84 116.97 123.73 1i4a h TYR 127 Ca 0.14 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.03 1i4a h TYR 127 Cb 0.52 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 1i4a h TYR 127 CO 0.03 0.29 0.21 0.37 -1.64 0.00 0.00 178.16 177.41 1i4a h GLN 128 N 0.32 0.41 -0.52 1.82 5.75 -0.94 -1.18 115.11 120.76 1i4a h GLN 128 Ca 0.09 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.45 1i4a h GLN 128 Cb 0.05 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 1i4a h GLN 128 CO -0.02 0.27 -0.14 -0.07 -2.65 0.00 0.00 178.83 176.22 1i4a h LEU 129 N 0.42 1.02 -0.66 -2.39 -0.00 -1.12 0.19 115.31 112.77 1i4a h LEU 129 Ca 0.18 -0.35 -0.14 0.00 -0.00 0.00 0.00 57.88 57.56 1i4a h LEU 129 Cb 0.09 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.46 1i4a h LEU 129 CO -0.13 1.15 -0.59 1.56 -0.00 0.00 0.00 178.44 180.43 1i4a h GLN 130 N 0.89 0.25 0.00 1.13 1.08 -0.88 -3.39 115.11 114.19 1i4a h GLN 130 Ca 0.13 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1i4a h GLN 130 Cb 0.71 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1i4a h GLN 130 CO 0.05 0.77 -1.04 0.66 -0.95 0.00 0.00 178.83 178.32 1i4a n TYR 131 N -3.88 0.00 -0.07 2.96 4.01 -0.47 -5.03 117.16 114.67 1i4a n TYR 131 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1i4a n TYR 131 Cb 0.61 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 1i4a n TYR 131 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i4a n GLY 132 N 2.41 0.81 3.40 2.72 0.00 0.05 -5.05 105.19 109.53 1i4a n GLY 132 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1i4a n GLY 132 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i4a s ARG 133 N -0.71 1.47 0.46 1.61 0.52 -1.26 -5.04 118.95 116.00 1i4a s ARG 133 Ca 0.00 -1.67 -0.16 0.00 -0.52 0.00 0.00 55.73 53.38 1i4a s ARG 133 Cb 0.00 -1.37 -0.08 0.00 0.52 0.00 0.00 34.95 34.02 1i4a s ARG 133 CO 0.00 0.23 0.91 -1.54 0.02 0.00 0.00 175.30 174.93 1i4a s SER 134 N -3.40 6.68 0.27 0.23 1.04 -1.26 -3.78 113.70 113.48 1i4a s SER 134 Ca 0.26 1.48 -0.03 0.00 0.48 0.00 0.00 55.95 58.14 1i4a s SER 134 Cb -0.02 -2.47 0.36 0.00 0.10 0.00 0.00 66.02 63.99 1i4a s SER 134 CO 0.10 -0.47 1.84 0.25 0.98 0.00 0.00 173.24 175.95 1i4a h LEU 135 N 1.30 0.88 -0.23 2.42 5.85 -1.92 -2.69 115.31 120.93 1i4a h LEU 135 Ca -0.47 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 1i4a h LEU 135 Cb 1.18 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 1i4a h LEU 135 CO 0.62 0.79 0.12 -0.08 -0.34 0.00 0.00 178.44 179.56 1i4a h GLU 136 N 0.94 0.32 -0.48 1.25 4.81 -1.92 -1.55 114.58 117.96 1i4a h GLU 136 Ca 0.22 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.48 1i4a h GLU 136 Cb 0.19 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 1i4a h GLU 136 CO -0.02 0.30 0.16 -0.44 -0.73 0.00 0.00 179.01 178.28 1i4a h ASP 137 N 0.25 0.15 -0.68 1.04 3.45 -1.87 0.10 116.42 118.86 1i4a h ASP 137 Ca 0.08 0.06 -0.04 0.00 0.43 0.00 0.00 57.03 57.56 1i4a h ASP 137 Cb 0.08 0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 38.87 1i4a h ASP 137 CO -0.01 0.11 0.26 0.44 -1.57 0.00 0.00 179.24 178.47 1i4a h ASP 138 N 0.33 0.94 -0.39 6.45 5.19 -1.33 -1.18 116.42 126.43 1i4a h ASP 138 Ca 0.23 -0.18 -0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1i4a h ASP 138 Cb 0.24 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1i4a h ASP 138 CO -0.24 0.87 0.24 0.40 -3.12 0.00 0.00 179.24 177.39 1i4a h ILE 139 N 0.96 1.12 -0.44 0.35 2.04 -0.57 -0.86 117.51 120.12 1i4a h ILE 139 Ca 0.22 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1i4a h ILE 139 Cb 0.23 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1i4a h ILE 139 CO -0.02 0.12 0.27 0.03 0.00 0.00 0.00 178.15 178.55 1i4a h ARG 140 N 0.52 0.59 0.00 2.37 3.08 -0.43 -0.87 114.38 119.63 1i4a h ARG 140 Ca 0.14 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.99 1i4a h ARG 140 Cb -0.01 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1i4a h ARG 140 CO -0.03 0.41 -0.75 0.77 -1.07 0.00 0.00 179.97 179.31 1i4a h SER 141 N 0.60 0.00 -0.01 7.04 0.02 -0.67 -3.36 113.55 117.17 1i4a h SER 141 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1i4a h SER 141 Cb -0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1i4a h SER 141 CO -0.03 0.75 -0.31 0.47 -1.14 0.00 0.00 176.83 176.56 1i4a n ASP 142 N -3.33 1.91 -4.18 3.07 10.43 -0.38 -5.00 116.55 119.07 1i4a n ASP 142 Ca 0.01 -1.46 -0.11 0.00 2.57 0.00 0.00 54.79 55.80 1i4a n ASP 142 Cb 0.82 0.39 -0.10 0.00 1.84 0.00 0.00 41.12 44.06 1i4a n ASP 142 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1i4a s THR 143 N -2.00 0.31 0.18 -3.53 -4.23 -0.38 -4.91 115.64 101.09 1i4a s THR 143 Ca 0.16 -1.93 -0.04 0.00 -1.18 0.00 0.00 61.69 58.71 1i4a s THR 143 Cb 0.15 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.93 1i4a s THR 143 CO 0.42 -0.51 0.17 -0.94 -0.54 0.00 0.00 174.62 173.22 1i4a s SER 144 N -3.08 0.15 0.80 3.99 1.04 -1.26 -4.72 113.70 110.63 1i4a s SER 144 Ca 0.23 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1i4a s SER 144 Cb 0.07 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1i4a s SER 144 CO 0.02 -0.85 0.00 0.33 0.98 0.00 0.00 173.24 173.72 1i4a n PHE 145 N -0.22 0.00 -0.24 5.02 7.35 -1.26 -2.38 117.46 125.73 1i4a n PHE 145 Ca -0.02 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.64 1i4a n PHE 145 Cb 0.64 0.03 0.15 0.00 0.35 0.00 0.00 39.48 40.66 1i4a n PHE 145 CO 0.00 0.00 0.00 0.52 -0.76 0.00 0.00 176.76 176.52 1i4a h MET 146 N 0.00 1.06 -0.68 -4.13 2.86 -2.00 -2.51 114.93 109.53 1i4a h MET 146 Ca 0.00 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1i4a h MET 146 Cb 0.00 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 1i4a h MET 146 CO 0.00 0.83 0.34 0.35 1.06 0.00 0.00 176.91 179.49 1i4a h PHE 147 N 1.05 0.96 -0.41 -0.22 3.57 -1.92 -2.15 116.94 117.82 1i4a h PHE 147 Ca 0.25 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.75 1i4a h PHE 147 Cb 0.12 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 1i4a h PHE 147 CO 0.01 0.70 0.21 0.37 -2.23 0.00 0.00 178.31 177.37 1i4a h GLN 148 N 0.94 0.41 -0.81 1.11 4.15 -1.12 -2.21 115.11 117.57 1i4a h GLN 148 Ca 0.24 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.68 1i4a h GLN 148 Cb 0.09 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.63 1i4a h GLN 148 CO -0.03 0.27 0.51 0.00 -1.93 0.00 0.00 178.83 177.64 1i4a h ARG 149 N 0.42 0.92 -0.34 1.69 3.08 -1.07 0.74 114.38 119.81 1i4a h ARG 149 Ca 0.18 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 1i4a h ARG 149 Cb 0.08 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1i4a h ARG 149 CO -0.12 0.61 0.12 0.28 -1.07 0.00 0.00 179.97 179.78 1i4a h VAL 150 N 0.95 1.20 -0.69 2.04 2.07 -1.02 -1.03 116.25 119.76 1i4a h VAL 150 Ca 0.35 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1i4a h VAL 150 Cb 0.12 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1i4a h VAL 150 CO -0.15 0.22 0.18 -0.07 0.02 0.00 0.00 177.57 177.76 1i4a h LEU 151 N 0.40 1.02 -0.37 2.57 3.38 -0.92 -0.82 115.31 120.58 1i4a h LEU 151 Ca 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1i4a h LEU 151 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1i4a h LEU 151 CO -0.01 0.97 0.21 0.58 0.09 0.00 0.00 178.44 180.28 1i4a h VAL 152 N 1.03 1.14 0.22 1.22 2.07 -0.63 0.23 116.25 121.54 1i4a h VAL 152 Ca 0.22 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1i4a h VAL 152 Cb 0.34 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1i4a h VAL 152 CO -0.00 0.14 -0.11 -1.28 0.02 0.00 0.00 177.57 176.34 1i4a h SER 153 N 0.47 -0.25 -0.29 0.57 0.87 -0.91 -2.88 113.55 111.12 1i4a h SER 153 Ca 0.13 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1i4a h SER 153 Cb 0.05 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1i4a h SER 153 CO -0.02 -0.17 0.19 -0.07 -0.53 0.00 0.00 176.83 176.23 1i4a h LEU 154 N -0.31 0.32 -2.92 2.23 3.38 -0.95 -2.79 115.31 114.27 1i4a h LEU 154 Ca -0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1i4a h LEU 154 Cb 0.24 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1i4a h LEU 154 CO 0.05 0.23 -0.00 0.77 0.09 0.00 0.00 178.44 179.58 1i4a h SER 155 N 0.38 0.00 1.06 -0.43 4.64 -0.49 -1.29 113.55 117.43 1i4a h SER 155 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1i4a h SER 155 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1i4a h SER 155 CO -0.03 0.00 -0.24 0.00 -0.87 0.00 0.00 176.83 175.69 1i4a n ALA 156 N -2.08 2.64 -3.21 5.18 0.00 -1.05 -4.77 120.51 117.22 1i4a n ALA 156 Ca -0.03 -0.15 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 1i4a n ALA 156 Cb 0.08 -1.34 0.03 0.00 0.00 0.00 0.00 19.45 18.22 1i4a n ALA 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i4a n GLY 157 N 1.39 -0.52 1.02 0.00 0.00 -0.49 -4.83 105.19 101.76 1i4a n GLY 157 Ca 0.05 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.33 1i4a n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i4a n GLY 158 N -1.51 1.45 3.71 -0.02 0.00 -1.26 -4.72 105.19 102.83 1i4a n GLY 158 Ca -0.07 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 1i4a n GLY 158 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1i4a n ARG 159 N 1.21 2.23 -1.62 1.61 0.63 -1.26 -4.85 116.66 114.61 1i4a n ARG 159 Ca 0.19 0.79 -0.50 0.00 -0.92 0.00 0.00 57.85 57.41 1i4a n ARG 159 Cb 0.53 -2.41 -0.05 0.00 0.45 0.00 0.00 32.46 30.98 1i4a n ARG 159 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1i4a n ASP 160 N 1.01 2.24 -0.18 6.15 2.03 -0.79 -4.88 116.55 122.13 1i4a n ASP 160 Ca 0.05 1.10 0.09 0.00 0.52 0.00 0.00 54.79 56.56 1i4a n ASP 160 Cb 0.36 -1.28 -0.07 0.00 -0.72 0.00 0.00 41.12 39.41 1i4a n ASP 160 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1i4a n GLU 161 N 2.99 0.97 -1.24 -0.67 1.02 -1.26 -4.00 120.64 118.45 1i4a n GLU 161 Ca 0.18 -0.38 -0.25 0.00 -0.02 0.00 0.00 57.16 56.69 1i4a n GLU 161 Cb 0.23 -1.40 0.19 0.00 -0.02 0.00 0.00 31.44 30.44 1i4a n GLU 161 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1i4a n SER 162 N -0.89 -0.95 -0.29 1.62 3.41 -1.26 -4.98 113.62 110.29 1i4a n SER 162 Ca 0.06 -1.23 0.08 0.00 -0.26 0.00 0.00 58.87 57.51 1i4a n SER 162 Cb 0.35 -0.86 0.14 0.00 -0.26 0.00 0.00 64.21 63.58 1i4a n SER 162 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1i4a n ASN 163 N -4.17 2.68 -4.75 4.04 3.02 -1.26 -4.63 115.26 110.18 1i4a n ASN 163 Ca 0.14 -2.79 -0.41 0.00 -0.03 0.00 0.00 54.58 51.48 1i4a n ASN 163 Cb 0.50 -0.36 -0.02 0.00 -0.61 0.00 0.00 39.78 39.28 1i4a n ASN 163 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1i4a s TYR 164 N -2.38 2.97 -0.33 3.10 5.04 -1.26 -4.79 117.35 119.70 1i4a s TYR 164 Ca 0.28 1.02 -0.04 0.00 -2.44 0.00 0.00 57.07 55.89 1i4a s TYR 164 Cb 0.23 -3.85 0.05 0.00 0.35 0.00 0.00 41.96 38.74 1i4a s TYR 164 CO 0.05 -2.76 0.06 -1.17 -1.34 0.00 0.00 175.55 170.39 1i4a s LEU 165 N -0.50 4.19 -0.64 6.97 0.20 -1.26 -4.47 118.68 123.17 1i4a s LEU 165 Ca 0.59 -1.29 -0.19 0.00 0.69 0.00 0.00 54.13 53.93 1i4a s LEU 165 Cb -0.43 -1.78 0.11 0.00 -0.43 0.00 0.00 46.19 43.66 1i4a s LEU 165 CO 0.45 -0.31 0.75 -0.62 -0.29 0.00 0.00 176.35 176.33 1i4a s ASP 166 N 1.37 6.26 0.15 3.68 -1.08 -1.26 -4.95 116.67 120.84 1i4a s ASP 166 Ca -0.03 -1.55 -0.27 0.00 -0.52 0.00 0.00 52.55 50.18 1i4a s ASP 166 Cb -0.20 -2.31 -0.01 0.00 -1.46 0.00 0.00 42.92 38.94 1i4a s ASP 166 CO 0.00 -1.09 1.57 -0.78 0.52 0.00 0.00 175.17 175.39 1i4a h ASP 167 N 9.08 -1.46 -0.08 -0.34 1.82 -1.98 0.35 116.42 123.81 1i4a h ASP 167 Ca -0.23 0.22 0.02 0.00 -0.39 0.00 0.00 57.03 56.65 1i4a h ASP 167 Cb 1.08 0.64 -0.02 0.00 0.68 0.00 0.00 39.33 41.70 1i4a h ASP 167 CO 1.08 -0.37 -0.07 0.00 -1.61 0.00 0.00 179.24 178.28 1i4a h ALA 168 N 0.39 0.00 -0.65 -0.78 0.00 -2.00 -1.22 119.26 115.00 1i4a h ALA 168 Ca 0.13 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1i4a h ALA 168 Cb 0.59 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1i4a h ALA 168 CO -0.58 -0.53 0.22 1.25 0.00 0.00 0.00 179.25 179.61 1i4a h LEU 169 N -0.08 0.91 -0.65 0.00 5.85 -1.89 -1.63 115.31 117.83 1i4a h LEU 169 Ca 0.05 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1i4a h LEU 169 Cb 0.16 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1i4a h LEU 169 CO -0.13 0.85 0.39 -0.03 -0.34 0.00 0.00 178.44 179.18 1i4a h MET 170 N 0.96 0.88 -0.35 1.25 4.05 0.07 0.12 114.93 121.91 1i4a h MET 170 Ca 0.22 -0.08 -0.12 0.00 -0.28 0.00 0.00 59.70 59.43 1i4a h MET 170 Cb 0.25 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 1i4a h MET 170 CO -0.01 0.63 -0.27 0.00 0.23 0.00 0.00 176.91 177.49 1i4a h ARG 171 N 0.88 0.73 -0.41 0.39 3.08 -0.87 -2.59 114.38 115.59 1i4a h ARG 171 Ca 0.23 -0.31 -0.14 0.00 0.07 0.00 0.00 59.98 59.82 1i4a h ARG 171 Cb -0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1i4a h ARG 171 CO -0.04 0.92 -0.32 0.37 -1.07 0.00 0.00 179.97 179.83 1i4a h GLN 172 N 0.63 0.92 -0.14 0.04 5.75 -0.83 -2.42 115.11 119.05 1i4a h GLN 172 Ca 0.08 -0.44 0.01 0.00 -0.15 0.00 0.00 58.65 58.15 1i4a h GLN 172 Cb 0.78 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.31 1i4a h GLN 172 CO 0.06 1.10 0.04 -0.44 -2.65 0.00 0.00 178.83 176.94 1i4a h ASP 173 N 0.77 0.04 -0.54 -0.69 3.32 -0.66 0.12 116.42 118.77 1i4a h ASP 173 Ca 0.08 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.21 1i4a h ASP 173 Cb 0.89 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.40 1i4a h ASP 173 CO 0.08 0.05 0.24 0.00 -1.72 0.00 0.00 179.24 177.89 1i4a h ALA 174 N 1.09 0.69 -0.09 3.45 0.00 -1.39 -0.70 119.26 122.31 1i4a h ALA 174 Ca 0.06 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1i4a h ALA 174 Cb 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1i4a h ALA 174 CO -0.07 -0.13 0.05 1.96 0.00 0.00 0.00 179.25 181.06 1i4a h GLN 175 N 0.46 0.13 -0.75 0.00 1.08 -0.92 -0.72 115.11 114.38 1i4a h GLN 175 Ca 0.25 -0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.53 1i4a h GLN 175 Cb 0.23 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.56 1i4a h GLN 175 CO -0.22 0.15 0.41 -0.44 -0.95 0.00 0.00 178.83 177.79 1i4a h ASP 176 N 0.07 0.57 -0.45 1.46 3.32 -0.31 0.28 116.42 121.36 1i4a h ASP 176 Ca 0.03 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1i4a h ASP 176 Cb 0.06 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1i4a h ASP 176 CO -0.01 0.34 0.21 -0.07 -1.72 0.00 0.00 179.24 177.99 1i4a h LEU 177 N 0.70 0.59 0.52 1.55 4.07 -0.81 0.20 115.31 122.14 1i4a h LEU 177 Ca 0.36 -0.13 -0.03 0.00 0.08 0.00 0.00 57.88 58.16 1i4a h LEU 177 Cb 0.33 -0.15 0.01 0.00 1.08 0.00 0.00 40.66 41.92 1i4a h LEU 177 CO -0.24 0.56 -0.25 0.22 -1.08 0.00 0.00 178.44 177.65 1i4a h TYR 178 N 0.59 -0.65 -0.18 1.13 3.20 -0.16 -2.77 116.97 118.13 1i4a h TYR 178 Ca 0.15 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.06 1i4a h TYR 178 Cb 0.13 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1i4a h TYR 178 CO -0.01 -0.35 0.16 0.93 -1.64 0.00 0.00 178.16 177.25 1i4a h GLU 179 N -0.82 0.00 0.00 1.82 5.08 -0.40 -0.38 114.58 119.88 1i4a h GLU 179 Ca -0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1i4a h GLU 179 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1i4a h GLU 179 CO 0.12 0.00 -0.11 0.00 -1.00 0.00 0.00 179.01 178.02 1i4a h ALA 180 N 1.84 1.52 -0.64 3.43 0.00 -0.65 -1.19 119.26 123.58 1i4a h ALA 180 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1i4a h ALA 180 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1i4a h ALA 180 CO -0.00 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.79 1i4a n GLY 181 N -0.99 2.58 0.07 0.00 0.00 -0.15 -1.90 105.19 104.79 1i4a n GLY 181 Ca -0.02 -0.82 0.01 0.00 0.00 0.00 0.00 46.02 45.19 1i4a n GLY 181 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i4a n GLU 182 N 1.14 2.22 -2.27 1.61 -0.58 -0.46 -5.00 120.64 117.30 1i4a n GLU 182 Ca 0.25 -0.40 -0.41 0.00 -0.42 0.00 0.00 57.16 56.18 1i4a n GLU 182 Cb 0.84 -0.88 -0.03 0.00 -0.57 0.00 0.00 31.44 30.81 1i4a n GLU 182 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1i4a s LYS 183 N -0.67 4.45 0.07 3.49 -0.14 -1.16 -4.97 119.74 120.80 1i4a s LYS 183 Ca 0.02 2.01 -0.31 0.00 -1.36 0.00 0.00 55.97 56.33 1i4a s LYS 183 Cb 0.02 -3.18 -0.18 0.00 -1.68 0.00 0.00 37.83 32.81 1i4a s LYS 183 CO 0.07 -0.13 1.63 0.87 -0.76 0.00 0.00 175.35 177.03 1i4a h LYS 184 N 4.71 -0.73 -0.93 1.68 1.57 -1.96 -3.12 116.57 117.80 1i4a h LYS 184 Ca -0.46 0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.49 1i4a h LYS 184 Cb 1.22 0.17 -0.07 0.00 0.08 0.00 0.00 32.23 33.62 1i4a h LYS 184 CO 0.73 -0.48 0.60 0.11 -0.57 0.00 0.00 179.45 179.83 1i4a h TRP 185 N -0.77 0.99 0.00 -1.35 5.08 -2.01 -3.47 115.95 114.42 1i4a h TRP 185 Ca -0.08 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.92 1i4a h TRP 185 Cb 0.59 -0.32 0.00 0.00 -3.00 0.00 0.00 29.16 26.43 1i4a h TRP 185 CO -0.03 0.42 0.00 0.41 -1.28 0.00 0.00 178.44 177.96 1i4a n GLY 186 N -1.39 -2.73 3.71 11.11 0.00 -1.18 -5.11 105.19 109.60 1i4a n GLY 186 Ca 0.17 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1i4a n GLY 186 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i4a s THR 187 N -2.06 2.68 -1.41 2.61 2.01 -1.26 -4.43 115.64 113.77 1i4a s THR 187 Ca 0.00 0.41 -0.14 0.00 0.31 0.00 0.00 61.69 62.27 1i4a s THR 187 Cb 0.00 -3.26 0.06 0.00 0.01 0.00 0.00 72.50 69.31 1i4a s THR 187 CO 0.00 0.02 2.11 -0.67 -0.69 0.00 0.00 174.62 175.39 1i4a n ASP 188 N 4.47 4.19 -0.31 3.53 4.64 -0.80 -4.80 116.55 127.47 1i4a n ASP 188 Ca 0.15 -2.89 0.30 0.00 -1.38 0.00 0.00 54.79 50.96 1i4a n ASP 188 Cb 0.39 -1.64 0.65 0.00 -1.04 0.00 0.00 41.12 39.47 1i4a n ASP 188 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1i4a h GLU 189 N 6.16 0.15 -0.22 -0.67 5.08 -1.89 -1.71 114.58 121.49 1i4a h GLU 189 Ca 0.53 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.88 1i4a h GLU 189 Cb 0.67 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1i4a h GLU 189 CO 1.79 0.10 0.14 -0.24 -1.00 0.00 0.00 179.01 179.81 1i4a h VAL 190 N 0.16 1.04 -0.51 3.13 3.04 -2.00 -1.99 116.25 119.12 1i4a h VAL 190 Ca 0.57 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 66.17 1i4a h VAL 190 Cb 1.92 0.75 -0.03 0.00 -2.01 0.00 0.00 31.29 31.93 1i4a h VAL 190 CO -0.13 0.05 0.33 0.11 -1.01 0.00 0.00 177.57 176.92 1i4a h LYS 191 N 0.27 0.67 -0.37 4.17 1.79 -1.70 0.37 116.57 121.79 1i4a h LYS 191 Ca 0.08 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1i4a h LYS 191 Cb -0.00 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.48 1i4a h LYS 191 CO -0.02 0.45 0.22 0.74 -1.08 0.00 0.00 179.45 179.76 1i4a h PHE 192 N 0.69 0.49 0.29 -1.35 0.04 -1.52 -1.71 116.94 113.87 1i4a h PHE 192 Ca 0.19 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 1i4a h PHE 192 Cb -0.07 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 1i4a h PHE 192 CO -0.04 0.36 -0.26 1.25 -0.60 0.00 0.00 178.31 179.02 1i4a h LEU 193 N 0.48 -0.69 0.03 1.54 5.85 -1.02 -0.69 115.31 120.80 1i4a h LEU 193 Ca 0.13 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1i4a h LEU 193 Cb 0.02 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1i4a h LEU 193 CO -0.02 -0.39 -0.30 0.74 -0.34 0.00 0.00 178.44 178.13 1i4a h THR 194 N -0.57 0.35 -0.10 1.05 2.02 -0.79 -1.24 112.91 113.63 1i4a h THR 194 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1i4a h THR 194 Cb 0.52 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1i4a h THR 194 CO -0.04 0.00 -0.01 0.58 0.37 0.00 0.00 175.52 176.42 1i4a h VAL 195 N -0.46 1.27 0.00 3.16 2.07 -1.27 -2.47 116.25 118.54 1i4a h VAL 195 Ca 0.05 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1i4a h VAL 195 Cb 0.53 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1i4a h VAL 195 CO -0.23 0.25 -0.15 -0.07 0.02 0.00 0.00 177.57 177.39 1i4a h LEU 196 N -0.12 0.00 0.00 2.57 4.07 -1.10 -3.07 115.31 117.66 1i4a h LEU 196 Ca 0.03 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 1i4a h LEU 196 Cb 0.39 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1i4a h LEU 196 CO 0.01 0.15 -1.74 0.00 -1.08 0.00 0.00 178.44 175.77 1i4a n SER 198 N -2.43 1.60 -4.79 0.00 7.64 -0.93 -4.47 113.62 110.23 1i4a n SER 198 Ca -0.05 -0.11 -0.34 0.00 1.01 0.00 0.00 58.87 59.38 1i4a n SER 198 Cb 0.62 -0.14 -0.01 0.00 -1.01 0.00 0.00 64.21 63.66 1i4a n SER 198 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1i4a s ARG 199 N -2.51 3.55 0.71 1.43 1.81 -1.16 -1.88 118.95 120.89 1i4a s ARG 199 Ca -0.30 1.37 -0.11 0.00 -1.72 0.00 0.00 55.73 54.97 1i4a s ARG 199 Cb 0.08 -2.06 0.02 0.00 -0.45 0.00 0.00 34.95 32.54 1i4a s ARG 199 CO 0.64 -0.64 1.06 0.54 -0.68 0.00 0.00 175.30 176.23 1i4a s ASN 200 N -2.17 5.25 0.15 0.23 2.20 -1.26 -4.61 114.94 114.74 1i4a s ASN 200 Ca 0.67 1.64 -0.23 0.00 -0.94 0.00 0.00 52.86 54.00 1i4a s ASN 200 Cb -0.18 -2.49 0.03 0.00 -2.00 0.00 0.00 41.25 36.62 1i4a s ASN 200 CO 0.26 -1.53 1.61 -0.09 -2.94 0.00 0.00 177.10 174.42 1i4a h ARG 201 N -0.78 -0.27 -0.75 3.55 2.43 -1.82 0.51 114.38 117.26 1i4a h ARG 201 Ca -0.44 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 58.81 1i4a h ARG 201 Cb 1.21 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.77 1i4a h ARG 201 CO 0.56 -0.18 0.44 -0.97 -1.51 0.00 0.00 179.97 178.32 1i4a h ASN 202 N -0.28 0.68 0.03 -3.80 -1.24 -1.89 0.11 115.58 109.20 1i4a h ASN 202 Ca 0.15 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.18 1i4a h ASN 202 Cb 0.51 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.44 1i4a h ASN 202 CO -0.44 0.44 -0.01 -0.74 -1.29 0.00 0.00 177.43 175.38 1i4a h HIS 203 N 0.82 -0.04 -0.54 0.67 2.76 -1.62 -2.14 115.15 115.06 1i4a h HIS 203 Ca 0.33 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.54 1i4a h HIS 203 Cb 0.17 0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.10 1i4a h HIS 203 CO -0.06 0.16 0.28 -0.07 -1.30 0.00 0.00 177.93 176.95 1i4a h LEU 204 N -0.23 0.41 -1.20 0.26 3.38 -0.49 0.12 115.31 117.55 1i4a h LEU 204 Ca -0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1i4a h LEU 204 Cb 0.22 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1i4a h LEU 204 CO 0.01 0.28 0.35 -0.07 0.09 0.00 0.00 178.44 179.10 1i4a h LEU 205 N 0.55 0.80 -0.52 1.67 3.38 -0.71 0.25 115.31 120.74 1i4a h LEU 205 Ca 0.24 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 1i4a h LEU 205 Cb 0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1i4a h LEU 205 CO -0.16 0.65 -0.42 0.45 0.09 0.00 0.00 178.44 179.05 1i4a h HIS 206 N 0.91 0.88 -0.76 1.13 3.86 -0.68 -2.67 115.15 117.83 1i4a h HIS 206 Ca 0.23 -0.27 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 1i4a h HIS 206 Cb 0.03 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.28 1i4a h HIS 206 CO 0.01 1.03 0.32 0.28 0.86 0.00 0.00 177.93 180.42 1i4a h VAL 207 N 0.59 1.25 -0.66 2.45 2.07 0.27 -1.47 116.25 120.75 1i4a h VAL 207 Ca 0.04 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1i4a h VAL 207 Cb 0.97 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1i4a h VAL 207 CO 0.09 0.31 0.42 -0.26 0.02 0.00 0.00 177.57 178.15 1i4a h PHE 208 N 1.09 0.85 -0.13 1.57 0.04 -0.72 0.17 116.94 119.80 1i4a h PHE 208 Ca 0.26 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.03 1i4a h PHE 208 Cb 0.18 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 1i4a h PHE 208 CO 0.02 0.56 0.08 -0.44 -0.60 0.00 0.00 178.31 177.92 1i4a h ASP 209 N 0.90 0.16 -0.91 2.17 3.32 -1.10 -1.03 116.42 119.93 1i4a h ASP 209 Ca 0.24 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.27 1i4a h ASP 209 Cb -0.07 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 1i4a h ASP 209 CO -0.05 0.16 0.59 -0.08 -1.72 0.00 0.00 179.24 178.15 1i4a h GLU 210 N 0.15 1.12 -0.34 3.56 4.57 -0.92 -1.42 114.58 121.30 1i4a h GLU 210 Ca 0.05 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1i4a h GLU 210 Cb 0.03 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 28.34 1i4a h GLU 210 CO -0.01 0.74 0.17 -0.92 -1.18 0.00 0.00 179.01 177.81 1i4a h TYR 211 N 1.16 0.31 -0.90 0.92 3.20 -0.27 -1.65 116.97 119.72 1i4a h TYR 211 Ca 0.36 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.31 1i4a h TYR 211 Cb -0.01 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.11 1i4a h TYR 211 CO -0.01 0.17 0.56 -0.22 -1.64 0.00 0.00 178.16 177.02 1i4a h LYS 212 N 0.35 0.98 0.09 1.82 1.63 -0.39 0.16 116.57 121.21 1i4a h LYS 212 Ca 0.14 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1i4a h LYS 212 Cb 0.05 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.46 1i4a h LYS 212 CO -0.10 0.65 -0.05 -0.09 -3.45 0.00 0.00 179.45 176.42 1i4a h ARG 213 N 1.01 -0.12 0.00 1.90 2.43 -0.59 0.24 114.38 119.25 1i4a h ARG 213 Ca 0.40 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.42 1i4a h ARG 213 Cb 0.20 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1i4a h ARG 213 CO -0.18 0.07 -0.72 -0.84 -1.51 0.00 0.00 179.97 176.78 1i4a h ILE 214 N -0.29 1.39 0.00 1.20 3.07 -1.07 -3.34 117.51 118.47 1i4a h ILE 214 Ca -0.01 -2.59 0.00 0.00 1.55 0.00 0.00 64.86 63.81 1i4a h ILE 214 Cb 0.25 2.45 0.00 0.00 -0.27 0.00 0.00 36.82 39.24 1i4a h ILE 214 CO 0.02 0.71 -1.80 0.00 -1.05 0.00 0.00 178.15 176.03 1i4a n ALA 215 N -2.34 3.11 -2.29 0.16 0.00 0.54 -4.98 120.51 114.70 1i4a n ALA 215 Ca -0.00 -0.52 -0.19 0.00 0.00 0.00 0.00 53.44 52.73 1i4a n ALA 215 Cb 0.75 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 1i4a n ALA 215 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1i4a n GLN 216 N -2.11 -1.53 -3.74 0.00 6.02 0.83 -4.97 117.38 111.89 1i4a n GLN 216 Ca -0.03 0.97 -0.14 0.00 -0.01 0.00 0.00 57.00 57.79 1i4a n GLN 216 Cb 0.51 -5.52 -0.09 0.00 1.02 0.00 0.00 30.24 26.17 1i4a n GLN 216 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1i4a s LYS 217 N -4.84 0.68 0.42 -1.09 1.02 -1.25 -5.07 119.74 109.62 1i4a s LYS 217 Ca 0.00 -0.09 -0.23 0.00 0.02 0.00 0.00 55.97 55.68 1i4a s LYS 217 Cb 0.00 0.30 -0.09 0.00 -0.52 0.00 0.00 37.83 37.52 1i4a s LYS 217 CO 0.00 -0.18 1.03 0.34 -0.92 0.00 0.00 175.35 175.62 1i4a s ASP 218 N -1.17 6.68 0.33 2.83 2.15 -1.26 -4.07 116.67 122.16 1i4a s ASP 218 Ca -0.12 1.96 0.05 0.00 0.43 0.00 0.00 52.55 54.86 1i4a s ASP 218 Cb -0.05 -2.57 0.67 0.00 -0.30 0.00 0.00 42.92 40.67 1i4a s ASP 218 CO 0.04 -0.55 1.89 -0.29 -0.17 0.00 0.00 175.17 176.09 1i4a h ILE 219 N 1.99 0.94 -0.73 4.11 6.09 -1.94 -1.88 117.51 126.09 1i4a h ILE 219 Ca -0.49 -0.29 -0.04 0.00 -1.37 0.00 0.00 64.86 62.67 1i4a h ILE 219 Cb 1.21 0.01 -0.03 0.00 0.47 0.00 0.00 36.82 38.48 1i4a h ILE 219 CO 0.61 0.16 0.29 -0.33 -3.07 0.00 0.00 178.15 175.81 1i4a h GLU 220 N 0.86 1.08 -0.07 2.19 5.08 -1.99 -0.12 114.58 121.60 1i4a h GLU 220 Ca 0.42 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 1i4a h GLU 220 Cb 0.46 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1i4a h GLU 220 CO -0.19 0.88 -0.56 -0.56 -1.00 0.00 0.00 179.01 177.58 1i4a h GLN 221 N 1.06 0.22 -0.30 2.33 3.07 -1.74 -1.87 115.11 117.88 1i4a h GLN 221 Ca 0.25 -0.14 -0.18 0.00 0.09 0.00 0.00 58.65 58.66 1i4a h GLN 221 Cb 0.20 0.02 -0.00 0.00 0.08 0.00 0.00 27.48 27.77 1i4a h GLN 221 CO -0.02 0.72 -0.52 0.77 0.09 0.00 0.00 178.83 179.87 1i4a h SER 222 N 0.17 0.97 -0.75 0.06 0.02 -1.04 -2.55 113.55 110.44 1i4a h SER 222 Ca 0.00 -0.51 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 1i4a h SER 222 Cb 1.03 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 1i4a h SER 222 CO 0.09 1.30 0.36 0.40 -1.14 0.00 0.00 176.83 177.84 1i4a h ILE 223 N 0.68 1.24 -0.10 3.27 2.04 -0.89 0.73 117.51 124.49 1i4a h ILE 223 Ca 0.02 -0.68 -0.07 0.00 1.00 0.00 0.00 64.86 65.13 1i4a h ILE 223 Cb 1.12 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1i4a h ILE 223 CO 0.12 0.29 -0.26 0.11 0.00 0.00 0.00 178.15 178.40 1i4a h LYS 224 N 1.05 0.17 0.00 2.37 1.57 -1.24 -1.54 116.57 118.96 1i4a h LYS 224 Ca 0.26 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1i4a h LYS 224 Cb 0.12 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1i4a h LYS 224 CO -0.03 0.43 -1.61 -1.13 -0.57 0.00 0.00 179.45 176.53 1i4a n SER 225 N -4.17 0.34 0.00 0.86 3.41 -0.97 -4.42 113.62 108.67 1i4a n SER 225 Ca -0.01 0.13 0.11 0.00 -0.26 0.00 0.00 58.87 58.84 1i4a n SER 225 Cb 0.35 1.35 -0.14 0.00 -0.26 0.00 0.00 64.21 65.51 1i4a n SER 225 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i4a n GLU 226 N -2.44 0.49 -4.33 4.33 1.02 0.23 -5.00 120.64 114.93 1i4a n GLU 226 Ca -0.03 -0.13 -0.17 0.00 -0.02 0.00 0.00 57.16 56.81 1i4a n GLU 226 Cb 0.58 -1.54 -0.10 0.00 -0.02 0.00 0.00 31.44 30.36 1i4a n GLU 226 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1i4a s THR 227 N -3.38 0.74 0.33 2.62 -4.23 -0.58 -4.73 115.64 106.41 1i4a s THR 227 Ca -0.03 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.43 1i4a s THR 227 Cb 0.14 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 71.44 1i4a s THR 227 CO 0.89 -0.10 0.51 -1.54 -0.54 0.00 0.00 174.62 173.83 1i4a n SER 228 N -0.47 -1.43 -0.22 3.99 3.41 -1.26 -4.69 113.62 112.95 1i4a n SER 228 Ca -0.02 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.88 1i4a n SER 228 Cb 0.66 2.59 0.00 0.00 -0.26 0.00 0.00 64.21 67.20 1i4a n SER 228 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i4a n GLY 229 N -0.53 0.26 0.27 5.00 0.00 -1.26 -1.68 105.19 107.24 1i4a n GLY 229 Ca -0.01 -0.92 0.10 0.00 0.00 0.00 0.00 46.02 45.19 1i4a n GLY 229 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1i4a h SER 230 N 0.00 0.00 -0.30 1.61 0.02 -2.01 -1.00 113.55 111.88 1i4a h SER 230 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1i4a h SER 230 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1i4a h SER 230 CO 0.00 0.03 0.17 0.15 -1.14 0.00 0.00 176.83 176.04 1i4a h PHE 231 N 0.00 0.41 -0.40 3.45 3.57 -1.93 0.00 116.94 122.04 1i4a h PHE 231 Ca -0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1i4a h PHE 231 Cb 0.06 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1i4a h PHE 231 CO 0.00 0.32 0.24 1.49 -2.23 0.00 0.00 178.31 178.14 1i4a h GLU 232 N 0.37 0.47 -0.97 1.11 4.81 -0.30 -1.99 114.58 118.09 1i4a h GLU 232 Ca 0.11 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1i4a h GLU 232 Cb 0.05 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.27 1i4a h GLU 232 CO -0.02 0.31 0.63 -0.44 -0.73 0.00 0.00 179.01 178.77 1i4a h ASP 233 N 0.49 1.12 -0.17 1.04 3.32 -0.91 -1.44 116.42 119.87 1i4a h ASP 233 Ca 0.16 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1i4a h ASP 233 Cb -0.01 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1i4a h ASP 233 CO -0.07 0.82 0.03 0.00 -1.72 0.00 0.00 179.24 178.30 1i4a h ALA 234 N 1.38 0.23 -0.31 3.45 0.00 -0.61 0.01 119.26 123.41 1i4a h ALA 234 Ca 0.35 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1i4a h ALA 234 Cb -0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1i4a h ALA 234 CO -0.07 -0.11 0.18 -0.07 0.00 0.00 0.00 179.25 179.18 1i4a h LEU 235 N 0.08 0.30 -0.53 0.00 4.07 -1.12 -0.98 115.31 117.14 1i4a h LEU 235 Ca 0.05 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.03 1i4a h LEU 235 Cb 0.29 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.94 1i4a h LEU 235 CO 0.00 0.22 0.35 -0.07 -1.08 0.00 0.00 178.44 177.86 1i4a h LEU 236 N 0.38 0.59 -0.52 1.67 4.07 -1.18 -0.99 115.31 119.34 1i4a h LEU 236 Ca 0.12 -0.01 0.03 0.00 0.08 0.00 0.00 57.88 58.10 1i4a h LEU 236 Cb -0.00 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.56 1i4a h LEU 236 CO -0.05 0.42 0.29 0.00 -1.08 0.00 0.00 178.44 178.02 1i4a h ALA 237 N 1.21 0.66 -0.08 1.53 0.00 -0.58 0.13 119.26 122.12 1i4a h ALA 237 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1i4a h ALA 237 Cb -0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1i4a h ALA 237 CO -0.06 -0.02 0.05 0.82 0.00 0.00 0.00 179.25 180.04 1i4a h ILE 238 N 0.58 1.04 0.15 0.00 2.04 -0.74 0.94 117.51 121.51 1i4a h ILE 238 Ca 0.21 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 1i4a h ILE 238 Cb 0.06 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1i4a h ILE 238 CO -0.12 0.04 -0.08 0.58 0.00 0.00 0.00 178.15 178.57 1i4a h VAL 239 N 0.09 0.83 -0.94 1.67 2.07 -0.76 -1.19 116.25 118.02 1i4a h VAL 239 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1i4a h VAL 239 Cb 0.02 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1i4a h VAL 239 CO -0.01 0.00 0.60 0.11 0.02 0.00 0.00 177.57 178.29 1i4a h LYS 240 N -0.21 1.26 0.00 1.57 1.57 -0.64 -1.39 116.57 118.73 1i4a h LYS 240 Ca -0.02 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1i4a h LYS 240 Cb 0.17 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1i4a h LYS 240 CO 0.02 0.86 -0.38 0.00 -0.57 0.00 0.00 179.45 179.38 1i4a h MET 242 N 0.00 0.78 0.02 0.00 2.86 -0.54 -3.27 114.93 114.78 1i4a h MET 242 Ca -0.00 -0.62 -0.07 0.00 -2.06 0.00 0.00 59.70 56.95 1i4a h MET 242 Cb 0.70 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.49 1i4a h MET 242 CO 0.05 1.23 -0.35 0.00 1.06 0.00 0.00 176.91 178.90 1i4a h ARG 243 N 0.54 0.05 -1.14 1.72 3.08 -1.08 -3.45 114.38 114.09 1i4a h ARG 243 Ca -0.04 -0.08 -0.19 0.00 0.07 0.00 0.00 59.98 59.74 1i4a h ARG 243 Cb 1.38 0.03 -0.19 0.00 0.08 0.00 0.00 29.97 31.27 1i4a h ARG 243 CO 0.15 1.04 -0.54 1.21 -1.07 0.00 0.00 179.97 180.77 1i4a s ASN 244 N -6.44 -1.15 0.29 7.04 3.84 0.21 -5.03 114.94 113.70 1i4a s ASN 244 Ca -0.20 -1.77 0.03 0.00 0.21 0.00 0.00 52.86 51.13 1i4a s ASN 244 Cb -0.01 1.67 0.63 0.00 -0.55 0.00 0.00 41.25 42.98 1i4a s ASN 244 CO 0.69 -0.08 1.80 0.50 -2.79 0.00 0.00 177.10 177.23 1i4a h LYS 245 N 5.28 0.81 -0.36 0.43 3.64 -1.59 -0.92 116.57 123.87 1i4a h LYS 245 Ca 0.08 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1i4a h LYS 245 Cb 1.10 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1i4a h LYS 245 CO 0.05 0.54 0.18 0.77 -2.27 0.00 0.00 179.45 178.72 1i4a h SER 246 N 0.84 0.43 0.07 4.20 0.02 -1.92 -1.36 113.55 115.84 1i4a h SER 246 Ca 0.53 -0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 61.27 1i4a h SER 246 Cb 0.69 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 1i4a h SER 246 CO -0.33 0.36 -0.62 0.00 -1.14 0.00 0.00 176.83 175.10 1i4a h ALA 247 N 1.71 0.63 -0.39 3.77 0.00 -1.49 -1.38 119.26 122.12 1i4a h ALA 247 Ca 0.13 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.51 1i4a h ALA 247 Cb 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1i4a h ALA 247 CO -0.02 0.71 0.22 -0.92 0.00 0.00 0.00 179.25 179.24 1i4a h TYR 248 N 0.40 0.40 -0.02 0.00 3.20 -0.86 -1.04 116.97 119.05 1i4a h TYR 248 Ca -0.01 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 1i4a h TYR 248 Cb 1.19 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 1i4a h TYR 248 CO 0.05 0.23 -0.49 0.74 -1.64 0.00 0.00 178.16 177.04 1i4a h PHE 249 N 0.44 0.07 -0.54 -3.82 0.04 -1.25 -0.96 116.94 110.91 1i4a h PHE 249 Ca 0.16 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 1i4a h PHE 249 Cb 0.03 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 1i4a h PHE 249 CO -0.08 0.54 0.26 0.00 -0.60 0.00 0.00 178.31 178.43 1i4a h ALA 250 N 1.46 0.70 -0.42 2.45 0.00 -0.69 -0.48 119.26 122.28 1i4a h ALA 250 Ca -0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1i4a h ALA 250 Cb 0.89 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1i4a h ALA 250 CO 0.07 0.26 0.01 1.49 0.00 0.00 0.00 179.25 181.08 1i4a h GLU 251 N 0.73 0.74 -0.45 0.00 4.81 -0.91 -0.61 114.58 118.90 1i4a h GLU 251 Ca 0.19 -0.23 0.07 0.00 -0.13 0.00 0.00 59.36 59.26 1i4a h GLU 251 Cb 0.12 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 1i4a h GLU 251 CO -0.02 0.81 0.07 -0.09 -0.73 0.00 0.00 179.01 179.05 1i4a h ARG 252 N 0.58 0.20 -0.59 1.92 9.65 -0.82 -0.35 114.38 124.96 1i4a h ARG 252 Ca 0.12 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.93 1i4a h ARG 252 Cb 0.47 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 1i4a h ARG 252 CO 0.02 0.13 0.16 -0.07 2.80 0.00 0.00 179.97 183.01 1i4a h LEU 253 N 0.20 0.89 -0.03 3.80 3.38 -0.83 -2.48 115.31 120.24 1i4a h LEU 253 Ca 0.22 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1i4a h LEU 253 Cb 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1i4a h LEU 253 CO -0.30 0.88 -0.01 0.22 0.09 0.00 0.00 178.44 179.32 1i4a h TYR 254 N 0.85 -0.01 0.00 1.13 3.20 -0.46 -2.60 116.97 119.08 1i4a h TYR 254 Ca 0.19 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1i4a h TYR 254 Cb 0.33 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 1i4a h TYR 254 CO 0.02 -0.01 -0.04 0.87 -1.64 0.00 0.00 178.16 177.36 1i4a h LYS 255 N 0.00 0.00 0.00 1.82 6.56 -0.99 -0.67 116.57 123.29 1i4a h LYS 255 Ca 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1i4a h LYS 255 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 1i4a h LYS 255 CO -0.03 0.04 0.00 0.66 -2.06 0.00 0.00 179.45 178.06 1i4a h SER 256 N 0.00 0.00 0.00 0.86 4.64 -1.05 -3.35 113.55 114.64 1i4a h SER 256 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i4a h SER 256 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1i4a h SER 256 CO 0.00 0.00 -0.53 0.23 -0.87 0.00 0.00 176.83 175.66 1i4a n MET 257 N -2.67 3.67 -2.91 4.77 2.81 -0.79 -0.30 117.12 121.71 1i4a n MET 257 Ca 0.04 -0.01 -0.41 0.00 -1.81 0.00 0.00 57.70 55.51 1i4a n MET 257 Cb 0.42 -0.80 -0.04 0.00 -0.71 0.00 0.00 33.22 32.09 1i4a n MET 257 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1i4a s LYS 258 N -1.63 4.45 0.05 0.03 2.47 -0.33 -4.83 119.74 119.95 1i4a s LYS 258 Ca 0.00 1.08 0.00 0.00 -1.56 0.00 0.00 55.97 55.49 1i4a s LYS 258 Cb 0.02 -3.48 0.00 0.00 -1.46 0.00 0.00 37.83 32.91 1i4a s LYS 258 CO 0.11 -0.05 0.00 0.41 0.16 0.00 0.00 175.35 175.98 1i4a n GLY 259 N 3.11 -3.97 0.09 5.54 0.00 -1.26 -4.94 105.19 103.76 1i4a n GLY 259 Ca 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1i4a n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i4a n LEU 260 N 0.29 -0.08 0.00 0.99 4.77 -1.26 -4.73 117.00 116.97 1i4a n LEU 260 Ca 0.00 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1i4a n LEU 260 Cb 0.00 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1i4a n LEU 260 CO 0.00 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1i4a n GLY 261 N 1.29 -1.83 3.44 -0.72 0.00 -1.26 -5.02 105.19 101.09 1i4a n GLY 261 Ca 0.00 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 1i4a n GLY 261 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i4a s THR 262 N 0.00 -0.00 -1.20 2.61 2.01 -1.26 -4.73 115.64 113.06 1i4a s THR 262 Ca 0.00 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 61.89 1i4a s THR 262 Cb 0.00 -0.76 0.19 0.00 0.01 0.00 0.00 72.50 71.94 1i4a s THR 262 CO 0.00 0.00 1.45 -0.67 -0.69 0.00 0.00 174.62 174.71 1i4a n ASP 263 N 3.01 5.28 -0.29 3.53 -0.08 0.59 -4.85 116.55 123.74 1i4a n ASP 263 Ca -0.15 -3.02 0.09 0.00 -1.51 0.00 0.00 54.79 50.21 1i4a n ASP 263 Cb 0.56 -1.52 0.32 0.00 2.34 0.00 0.00 41.12 42.82 1i4a n ASP 263 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1i4a h ASP 264 N 6.84 0.76 -0.61 1.67 3.32 -1.98 -1.07 116.42 125.35 1i4a h ASP 264 Ca 0.31 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.41 1i4a h ASP 264 Cb 0.83 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 1i4a h ASP 264 CO 1.26 0.41 0.39 0.44 -1.72 0.00 0.00 179.24 180.02 1i4a h ASP 265 N 0.82 0.64 -0.10 6.45 3.32 -1.99 0.12 116.42 125.69 1i4a h ASP 265 Ca 0.45 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.39 1i4a h ASP 265 Cb 0.56 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1i4a h ASP 265 CO -0.21 0.45 -0.33 0.74 -1.72 0.00 0.00 179.24 178.17 1i4a h THR 266 N 0.77 1.40 -0.32 0.35 2.02 -1.86 -1.84 112.91 113.43 1i4a h THR 266 Ca 0.24 -1.68 0.05 0.00 0.77 0.00 0.00 66.41 65.79 1i4a h THR 266 Cb -0.01 2.21 -0.04 0.00 -1.74 0.00 0.00 68.15 68.56 1i4a h THR 266 CO -0.09 0.49 0.06 0.25 0.37 0.00 0.00 175.52 176.61 1i4a h LEU 267 N -0.05 0.01 -0.07 2.58 5.85 -0.98 -0.68 115.31 121.96 1i4a h LEU 267 Ca -0.01 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1i4a h LEU 267 Cb 0.96 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 1i4a h LEU 267 CO 0.07 0.04 0.02 0.40 -0.34 0.00 0.00 178.44 178.63 1i4a h ILE 268 N 0.17 1.18 -0.62 4.05 2.04 -0.81 -2.02 117.51 121.51 1i4a h ILE 268 Ca 0.15 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1i4a h ILE 268 Cb 0.17 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1i4a h ILE 268 CO -0.20 0.15 0.40 -0.09 0.00 0.00 0.00 178.15 178.41 1i4a h ARG 269 N -0.10 0.82 -0.25 2.37 2.43 -1.11 -0.08 114.38 118.46 1i4a h ARG 269 Ca 0.02 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1i4a h ARG 269 Cb 0.23 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1i4a h ARG 269 CO -0.00 0.55 -0.02 0.28 -1.51 0.00 0.00 179.97 179.27 1i4a h VAL 270 N 0.84 1.27 -0.77 0.20 2.07 -1.13 0.12 116.25 118.84 1i4a h VAL 270 Ca 0.23 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1i4a h VAL 270 Cb -0.08 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1i4a h VAL 270 CO -0.05 0.31 0.39 0.24 0.02 0.00 0.00 177.57 178.48 1i4a h MET 271 N 0.23 1.09 0.05 1.57 2.86 -1.16 -1.15 114.93 118.42 1i4a h MET 271 Ca 0.07 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1i4a h MET 271 Cb 0.46 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1i4a h MET 271 CO 0.02 0.83 -0.02 0.28 1.06 0.00 0.00 176.91 179.08 1i4a h VAL 272 N 1.07 1.30 0.00 -2.22 2.07 -0.97 -1.97 116.25 115.54 1i4a h VAL 272 Ca 0.27 -1.31 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 1i4a h VAL 272 Cb 0.09 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1i4a h VAL 272 CO -0.04 0.32 -0.28 0.77 0.02 0.00 0.00 177.57 178.37 1i4a h SER 273 N -0.66 0.00 -0.01 0.57 4.64 -0.74 -3.18 113.55 114.17 1i4a h SER 273 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1i4a h SER 273 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1i4a h SER 273 CO 0.01 0.28 -0.45 0.54 -0.87 0.00 0.00 176.83 176.34 1i4a n ARG 274 N -4.13 1.57 -0.31 4.77 5.12 -0.44 -4.63 116.66 118.61 1i4a n ARG 274 Ca -0.02 -0.68 0.15 0.00 -1.93 0.00 0.00 57.85 55.36 1i4a n ARG 274 Cb 0.33 -1.31 0.33 0.00 -1.16 0.00 0.00 32.46 30.65 1i4a n ARG 274 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i4a h ALA 275 N 2.90 1.51 -0.56 7.54 0.00 -1.33 -0.50 119.26 128.82 1i4a h ALA 275 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1i4a h ALA 275 Cb 0.55 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1i4a h ALA 275 CO 0.00 -0.36 0.00 0.39 0.00 0.00 0.00 179.25 179.28 1i4a n GLU 276 N -5.04 2.61 -0.02 0.00 1.02 -1.26 -4.40 120.64 113.54 1i4a n GLU 276 Ca 0.23 -2.46 -0.03 0.00 -0.02 0.00 0.00 57.16 54.88 1i4a n GLU 276 Cb 0.69 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 30.58 1i4a n GLU 276 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1i4a n ILE 277 N 1.52 0.69 -2.63 -3.67 5.41 -0.21 -4.95 119.36 115.51 1i4a n ILE 277 Ca 0.21 0.29 0.00 0.00 1.00 0.00 0.00 62.75 64.26 1i4a n ILE 277 Cb 0.60 -1.73 0.04 0.00 -0.71 0.00 0.00 39.64 37.84 1i4a n ILE 277 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1i4a n ASP 278 N -3.31 0.71 -0.33 4.38 5.75 -1.09 -4.94 116.55 117.71 1i4a n ASP 278 Ca -0.05 -2.04 0.02 0.00 -0.01 0.00 0.00 54.79 52.71 1i4a n ASP 278 Cb 0.18 -0.18 0.20 0.00 -1.03 0.00 0.00 41.12 40.29 1i4a n ASP 278 CO 0.00 0.00 0.00 -0.03 -0.11 0.00 0.00 177.20 177.06 1i4a h MET 279 N 1.64 1.10 -0.35 0.11 4.05 -1.75 0.07 114.93 119.80 1i4a h MET 279 Ca -0.25 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.10 1i4a h MET 279 Cb 1.48 -0.25 -0.02 0.00 -0.80 0.00 0.00 31.60 32.01 1i4a h MET 279 CO 0.06 0.73 0.23 -0.07 0.23 0.00 0.00 176.91 178.09 1i4a h LEU 280 N 1.14 0.41 -0.90 3.39 -0.00 -1.91 -0.55 115.31 116.89 1i4a h LEU 280 Ca 0.39 -0.02 -0.11 0.00 -0.00 0.00 0.00 57.88 58.14 1i4a h LEU 280 Cb 0.11 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1i4a h LEU 280 CO -0.14 0.31 -0.49 -0.78 -0.00 0.00 0.00 178.44 177.34 1i4a h ASP 281 N 0.47 0.15 -0.65 -0.43 3.58 -1.81 -1.84 116.42 115.90 1i4a h ASP 281 Ca 0.13 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 1i4a h ASP 281 Cb -0.04 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 1i4a h ASP 281 CO -0.03 0.62 0.20 0.40 -2.88 0.00 0.00 179.24 177.55 1i4a h ILE 282 N 0.12 1.25 -0.42 2.25 2.04 -0.54 -1.40 117.51 120.81 1i4a h ILE 282 Ca 0.00 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 1i4a h ILE 282 Cb 0.91 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1i4a h ILE 282 CO 0.07 0.33 0.16 0.03 0.00 0.00 0.00 178.15 178.75 1i4a h ARG 283 N 0.94 0.62 -0.12 2.37 3.08 -0.81 0.64 114.38 121.09 1i4a h ARG 283 Ca 0.21 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.16 1i4a h ARG 283 Cb 0.30 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1i4a h ARG 283 CO -0.01 0.58 0.04 0.00 -1.07 0.00 0.00 179.97 179.52 1i4a h ALA 284 N 1.01 0.13 -0.66 0.04 0.00 -1.09 -1.80 119.26 116.89 1i4a h ALA 284 Ca 0.14 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1i4a h ALA 284 Cb 0.19 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1i4a h ALA 284 CO -0.01 -0.41 0.19 -0.91 0.00 0.00 0.00 179.25 178.10 1i4a h ASN 285 N 0.10 0.95 0.12 0.00 2.35 -1.12 -1.87 115.58 116.10 1i4a h ASN 285 Ca 0.05 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1i4a h ASN 285 Cb 0.03 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 1i4a h ASN 285 CO -0.06 0.90 -0.08 0.15 -1.65 0.00 0.00 177.43 176.69 1i4a h PHE 286 N 0.97 -0.21 -0.87 1.19 3.04 -0.49 0.33 116.94 120.91 1i4a h PHE 286 Ca 0.21 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.14 1i4a h PHE 286 Cb 0.30 0.08 -0.04 0.00 2.56 0.00 0.00 35.95 38.85 1i4a h PHE 286 CO 0.02 -0.13 0.47 -0.22 -2.02 0.00 0.00 178.31 176.43 1i4a h LYS 287 N -0.20 1.21 -0.30 1.11 3.64 -1.22 0.13 116.57 120.94 1i4a h LYS 287 Ca -0.01 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1i4a h LYS 287 Cb 0.17 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1i4a h LYS 287 CO 0.00 0.89 0.18 -0.09 -2.27 0.00 0.00 179.45 178.16 1i4a h ARG 288 N 1.22 0.41 -0.20 1.90 2.43 -1.00 0.41 114.38 119.53 1i4a h ARG 288 Ca 0.30 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.25 1i4a h ARG 288 Cb 0.04 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1i4a h ARG 288 CO -0.05 0.32 -0.62 -0.07 -1.51 0.00 0.00 179.97 178.04 1i4a h LEU 289 N 0.38 0.80 -0.99 3.80 3.38 -0.57 -3.38 115.31 118.73 1i4a h LEU 289 Ca 0.11 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1i4a h LEU 289 Cb 0.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1i4a h LEU 289 CO -0.02 1.22 -0.05 -1.22 0.09 0.00 0.00 178.44 178.46 1i4a n TYR 290 N -3.96 0.00 0.00 1.13 4.01 0.42 -5.00 117.16 113.76 1i4a n TYR 290 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1i4a n TYR 290 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 1i4a n TYR 290 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i4a n GLY 291 N 0.49 2.55 3.63 2.72 0.00 0.14 -4.96 105.19 109.76 1i4a n GLY 291 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1i4a n GLY 291 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i4a s LYS 292 N 0.00 2.18 0.31 1.61 -0.14 -1.26 -4.99 119.74 117.45 1i4a s LYS 292 Ca 0.00 -1.54 -0.14 0.00 -1.36 0.00 0.00 55.97 52.93 1i4a s LYS 292 Cb 0.00 -2.07 -0.09 0.00 -1.68 0.00 0.00 37.83 34.00 1i4a s LYS 292 CO 0.00 0.29 0.70 -1.54 -0.76 0.00 0.00 175.35 174.04 1i4a s SER 293 N -3.68 6.74 0.22 2.83 1.04 -1.26 -3.30 113.70 116.29 1i4a s SER 293 Ca 0.32 1.20 -0.08 0.00 0.48 0.00 0.00 55.95 57.87 1i4a s SER 293 Cb -0.05 -2.34 0.25 0.00 0.10 0.00 0.00 66.02 63.98 1i4a s SER 293 CO 0.19 -0.18 1.83 0.25 0.98 0.00 0.00 173.24 176.31 1i4a h LEU 294 N 2.29 0.67 -0.31 2.42 5.85 -1.92 -2.30 115.31 122.01 1i4a h LEU 294 Ca -0.48 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.33 1i4a h LEU 294 Cb 1.17 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 42.01 1i4a h LEU 294 CO 0.66 0.44 -0.16 0.22 -0.34 0.00 0.00 178.44 179.26 1i4a h TYR 295 N 0.80 -0.40 -0.39 1.25 5.03 -1.93 0.08 116.97 121.42 1i4a h TYR 295 Ca 0.31 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.64 1i4a h TYR 295 Cb 0.14 0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.62 1i4a h TYR 295 CO -0.06 -0.24 0.17 0.66 -1.32 0.00 0.00 178.16 177.38 1i4a h SER 296 N -0.12 0.48 -0.20 -2.11 4.64 -1.82 -0.09 113.55 114.34 1i4a h SER 296 Ca 0.16 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 1i4a h SER 296 Cb 0.36 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1i4a h SER 296 CO -0.39 0.42 -0.18 -0.26 -0.87 0.00 0.00 176.83 175.56 1i4a h PHE 297 N 0.54 0.57 -0.31 4.77 0.04 -0.75 -2.54 116.94 119.26 1i4a h PHE 297 Ca 0.14 -0.17 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 1i4a h PHE 297 Cb 0.08 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1i4a h PHE 297 CO 0.00 0.82 0.05 0.82 -0.60 0.00 0.00 178.31 179.41 1i4a h ILE 298 N 0.15 1.23 -0.97 -0.55 2.04 -0.68 -2.42 117.51 116.31 1i4a h ILE 298 Ca 0.03 -0.80 0.08 0.00 1.00 0.00 0.00 64.86 65.17 1i4a h ILE 298 Cb 0.72 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.90 1i4a h ILE 298 CO 0.05 0.26 0.62 0.50 0.00 0.00 0.00 178.15 179.58 1i4a h LYS 299 N 0.33 1.05 -0.01 2.37 3.64 -1.03 -1.90 116.57 121.01 1i4a h LYS 299 Ca 0.09 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1i4a h LYS 299 Cb 0.34 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1i4a h LYS 299 CO 0.01 0.69 -0.24 0.41 -2.27 0.00 0.00 179.45 178.05 1i4a n GLY 300 N -1.37 -0.57 0.13 5.01 0.00 -0.96 -4.02 105.19 103.41 1i4a n GLY 300 Ca 0.16 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 45.82 1i4a n GLY 300 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i4a n ASP 301 N -0.59 0.90 -3.64 1.61 2.03 -0.90 -5.04 116.55 110.92 1i4a n ASP 301 Ca 0.13 -0.95 -0.19 0.00 0.52 0.00 0.00 54.79 54.29 1i4a n ASP 301 Cb 0.35 0.73 -0.08 0.00 -0.72 0.00 0.00 41.12 41.40 1i4a n ASP 301 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1i4a s THR 302 N -1.74 0.12 0.39 5.18 -4.23 -0.77 -4.91 115.64 109.69 1i4a s THR 302 Ca 0.07 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.44 1i4a s THR 302 Cb 0.09 -2.48 0.05 0.00 1.34 0.00 0.00 72.50 71.50 1i4a s THR 302 CO 0.36 0.00 0.76 -0.94 -0.54 0.00 0.00 174.62 174.27 1i4a s SER 303 N -3.38 0.16 0.55 3.99 1.04 -1.26 -4.83 113.70 109.97 1i4a s SER 303 Ca 0.37 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1i4a s SER 303 Cb 0.03 0.85 0.00 0.00 0.10 0.00 0.00 66.02 67.00 1i4a s SER 303 CO 0.23 -1.69 0.00 0.61 0.98 0.00 0.00 173.24 173.37 1i4a n GLY 304 N -0.55 -0.78 0.26 7.32 0.00 -1.26 -1.81 105.19 108.37 1i4a n GLY 304 Ca -0.08 -1.11 0.12 0.00 0.00 0.00 0.00 46.02 44.95 1i4a n GLY 304 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1i4a h ASP 305 N 0.00 0.00 0.07 1.61 3.32 -2.01 -2.07 116.42 117.34 1i4a h ASP 305 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1i4a h ASP 305 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1i4a h ASP 305 CO 0.00 0.12 -0.14 0.22 -1.72 0.00 0.00 179.24 177.71 1i4a h TYR 306 N 0.00 -0.37 -0.75 4.55 3.20 -1.94 -1.50 116.97 120.16 1i4a h TYR 306 Ca -0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1i4a h TYR 306 Cb 0.30 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 1i4a h TYR 306 CO 0.00 -0.22 0.48 -0.09 -1.64 0.00 0.00 178.16 176.70 1i4a h ARG 307 N -0.28 0.99 -0.25 1.82 2.43 -0.67 -2.26 114.38 116.17 1i4a h ARG 307 Ca 0.03 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1i4a h ARG 307 Cb 0.30 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 1i4a h ARG 307 CO -0.09 0.67 -0.05 0.87 -1.51 0.00 0.00 179.97 179.86 1i4a h LYS 308 N 1.01 0.02 -0.48 0.20 6.56 -1.01 0.48 116.57 123.34 1i4a h LYS 308 Ca 0.27 -0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.77 1i4a h LYS 308 Cb -0.10 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.54 1i4a h LYS 308 CO -0.06 0.01 -0.06 -0.24 -2.06 0.00 0.00 179.45 177.05 1i4a h VAL 309 N 0.02 1.26 -0.32 0.50 3.04 -1.14 -2.53 116.25 117.07 1i4a h VAL 309 Ca 0.12 -1.12 -0.01 0.00 -1.01 0.00 0.00 66.70 64.68 1i4a h VAL 309 Cb 0.17 0.94 -0.02 0.00 -2.01 0.00 0.00 31.29 30.38 1i4a h VAL 309 CO -0.24 0.39 0.17 -0.07 -1.01 0.00 0.00 177.57 176.81 1i4a h LEU 310 N 0.77 0.41 -1.37 3.16 4.07 -0.85 -0.89 115.31 120.62 1i4a h LEU 310 Ca 0.14 -0.10 -0.04 0.00 0.08 0.00 0.00 57.88 57.96 1i4a h LEU 310 Cb 0.54 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1i4a h LEU 310 CO 0.03 0.39 -0.02 -0.07 -1.08 0.00 0.00 178.44 177.69 1i4a h LEU 311 N 0.40 0.37 -0.33 1.67 3.38 -0.81 -1.18 115.31 118.81 1i4a h LEU 311 Ca 0.11 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 1i4a h LEU 311 Cb 0.07 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1i4a h LEU 311 CO -0.02 0.45 -0.53 0.40 0.09 0.00 0.00 178.44 178.82 1i4a h ILE 312 N 0.38 1.28 -0.02 1.22 2.04 -1.09 -1.52 117.51 119.81 1i4a h ILE 312 Ca 0.09 -1.72 -0.05 0.00 1.00 0.00 0.00 64.86 64.17 1i4a h ILE 312 Cb 0.29 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1i4a h ILE 312 CO 0.01 0.56 -0.25 -0.07 0.00 0.00 0.00 178.15 178.40 1i4a h LEU 313 N 0.66 0.03 -0.13 1.44 3.38 -0.66 -2.28 115.31 117.75 1i4a h LEU 313 Ca 0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1i4a h LEU 313 Cb 1.13 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1i4a h LEU 313 CO 0.12 0.28 0.01 0.00 0.09 0.00 0.00 178.44 178.94 1i4a n GLY 315 N -0.37 1.43 0.00 0.00 0.00 -0.61 -4.82 105.19 100.83 1i4a n GLY 315 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1i4a n GLY 315 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i4a n GLY 316 N -1.23 3.64 3.85 -0.02 0.00 -1.26 -5.04 105.19 105.13 1i4a n GLY 316 Ca 0.00 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 1i4a n GLY 316 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i4a s ASP 317 N 0.00 6.62 0.00 1.61 2.15 -1.26 -4.64 116.67 121.14 1i4a s ASP 317 Ca 0.00 1.43 0.02 0.00 0.43 0.00 0.00 52.55 54.42 1i4a s ASP 317 Cb 0.00 -2.45 0.01 0.00 -0.30 0.00 0.00 42.92 40.19 1i4a s ASP 317 CO 0.00 -0.50 0.55 0.47 -0.17 0.00 0.00 175.17 175.52