#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ifu n PRO 7 N 0.00 2.29 -5.14 -0.72 -0.02 -1.26 -4.72 135.00 125.43 1ifu n PRO 7 Ca 0.00 0.80 -0.30 0.00 -2.02 0.00 0.00 63.50 61.98 1ifu n PRO 7 Cb 0.00 -2.44 -0.16 0.00 -0.02 0.00 0.00 33.50 30.88 1ifu n PRO 7 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ifu s ILE 8 N -1.11 1.88 -0.06 4.25 1.01 -1.26 -0.07 121.20 125.84 1ifu s ILE 8 Ca 0.55 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 60.29 1ifu s ILE 8 Cb -0.54 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.32 1ifu s ILE 8 CO 0.63 0.53 -0.23 -0.63 0.00 0.00 0.00 174.94 175.23 1ifu s ILE 9 N -0.02 2.22 0.05 2.92 1.09 0.42 -4.97 121.20 122.91 1ifu s ILE 9 Ca -0.06 -1.01 0.05 0.00 -1.10 0.00 0.00 60.65 58.53 1ifu s ILE 9 Cb -0.14 -1.82 -0.04 0.00 -1.06 0.00 0.00 42.46 39.41 1ifu s ILE 9 CO 0.04 0.57 -0.08 0.20 -0.10 0.00 0.00 174.94 175.57 1ifu s ASN 10 N -0.20 4.51 -0.07 3.58 0.01 -1.26 -0.27 114.94 121.25 1ifu s ASN 10 Ca -0.02 -0.25 -0.11 0.00 -0.71 0.00 0.00 52.86 51.76 1ifu s ASN 10 Cb -0.13 -0.97 0.02 0.00 0.41 0.00 0.00 41.25 40.58 1ifu s ASN 10 CO 0.03 0.24 0.28 0.12 -1.51 0.00 0.00 177.10 176.26 1ifu s PHE 11 N -1.09 -0.24 -0.05 2.20 5.36 -0.62 -4.95 117.98 118.60 1ifu s PHE 11 Ca 0.19 0.53 0.03 0.00 -0.96 0.00 0.00 56.93 56.72 1ifu s PHE 11 Cb -0.11 0.09 0.01 0.00 -0.34 0.00 0.00 43.02 42.67 1ifu s PHE 11 CO 0.10 -0.24 -0.12 -0.08 -1.46 0.00 0.00 175.22 173.43 1ifu s THR 12 N -0.45 1.04 -0.31 0.12 -1.32 -1.26 -1.40 115.64 112.06 1ifu s THR 12 Ca -0.06 -0.46 0.27 0.00 -1.21 0.00 0.00 61.69 60.23 1ifu s THR 12 Cb -0.04 -0.94 0.34 0.00 -1.51 0.00 0.00 72.50 70.36 1ifu s THR 12 CO 0.02 0.32 1.77 0.71 -2.21 0.00 0.00 174.62 175.23 1ifu h THR 13 N 5.66 0.00 -2.37 5.08 1.35 -1.56 -3.39 112.91 117.68 1ifu h THR 13 Ca -0.33 -0.69 -0.57 0.00 -0.55 0.00 0.00 66.41 64.27 1ifu h THR 13 Cb 1.18 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 1ifu h THR 13 CO 0.48 0.00 1.32 0.00 -0.25 0.00 0.00 175.52 177.07 1ifu s ALA 14 N -3.36 3.04 -1.54 6.62 0.00 -1.26 -2.61 121.76 122.64 1ifu s ALA 14 Ca 0.05 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1ifu s ALA 14 Cb 0.08 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.23 1ifu s ALA 14 CO 0.59 -2.34 0.00 0.41 0.00 0.00 0.00 175.76 174.42 1ifu n GLY 15 N 5.22 0.08 3.74 0.00 0.00 -1.26 -4.98 105.19 107.99 1ifu n GLY 15 Ca 0.24 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1ifu n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ifu s ALA 16 N -2.81 2.19 0.14 4.61 0.00 -1.07 -5.04 121.76 119.77 1ifu s ALA 16 Ca 0.00 0.67 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 1ifu s ALA 16 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1ifu s ALA 16 CO 0.00 -1.74 0.05 0.95 0.00 0.00 0.00 175.76 175.02 1ifu s THR 17 N -2.28 0.19 0.40 0.00 -4.23 -1.26 -5.00 115.64 103.47 1ifu s THR 17 Ca 0.69 -1.93 0.11 0.00 -1.18 0.00 0.00 61.69 59.39 1ifu s THR 17 Cb -0.24 -2.09 0.32 0.00 1.34 0.00 0.00 72.50 71.82 1ifu s THR 17 CO 0.46 -0.43 1.96 -0.37 -0.54 0.00 0.00 174.62 175.71 1ifu h VAL 18 N 2.82 0.93 0.03 2.29 -1.51 -1.89 0.64 116.25 119.55 1ifu h VAL 18 Ca -0.35 -0.19 -0.00 0.00 -1.23 0.00 0.00 66.70 64.93 1ifu h VAL 18 Cb 1.20 0.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1ifu h VAL 18 CO 0.59 0.10 -0.01 -0.61 -1.23 0.00 0.00 177.57 176.41 1ifu h GLN 19 N 0.54 -0.03 -0.04 5.19 5.75 -1.97 0.42 115.11 124.97 1ifu h GLN 19 Ca 0.30 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.77 1ifu h GLN 19 Cb 0.46 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 1ifu h GLN 19 CO -0.10 0.39 -0.13 0.66 -2.65 0.00 0.00 178.83 177.01 1ifu h SER 20 N -0.46 0.05 0.06 -0.69 4.64 -1.74 0.75 113.55 116.16 1ifu h SER 20 Ca -0.00 -0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.07 1ifu h SER 20 Cb 0.44 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1ifu h SER 20 CO 0.01 0.18 -0.94 0.22 -0.87 0.00 0.00 176.83 175.43 1ifu h TYR 21 N 0.05 0.92 -0.15 4.77 3.20 -0.74 -2.84 116.97 122.18 1ifu h TYR 21 Ca 0.01 -0.47 -0.01 0.00 3.14 0.00 0.00 58.73 61.39 1ifu h TYR 21 Cb 0.26 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1ifu h TYR 21 CO 0.00 1.30 0.04 1.15 -1.64 0.00 0.00 178.16 179.01 1ifu h THR 22 N 0.38 1.19 -0.92 1.81 2.02 0.76 -1.87 112.91 116.28 1ifu h THR 22 Ca -0.09 -0.60 0.06 0.00 0.77 0.00 0.00 66.41 66.54 1ifu h THR 22 Cb 1.58 1.30 -0.06 0.00 -1.74 0.00 0.00 68.15 69.23 1ifu h THR 22 CO 0.18 0.18 0.60 0.78 0.37 0.00 0.00 175.52 177.63 1ifu h ASN 23 N 0.06 0.95 0.73 4.18 2.35 -0.94 -0.95 115.58 121.96 1ifu h ASN 23 Ca 0.05 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1ifu h ASN 23 Cb 0.24 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.42 1ifu h ASN 23 CO -0.00 0.62 -0.36 0.15 -1.65 0.00 0.00 177.43 176.20 1ifu h PHE 24 N 1.09 -0.93 -0.06 1.19 3.57 -1.22 -0.64 116.94 119.94 1ifu h PHE 24 Ca 0.39 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.84 1ifu h PHE 24 Cb 0.14 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1ifu h PHE 24 CO -0.00 -0.57 -0.09 0.82 -2.23 0.00 0.00 178.31 176.24 1ifu h ILE 25 N -0.99 1.10 -0.41 1.41 1.08 -1.03 -1.26 117.51 117.41 1ifu h ILE 25 Ca -0.10 -0.45 -0.11 0.00 -0.39 0.00 0.00 64.86 63.81 1ifu h ILE 25 Cb 0.76 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.66 1ifu h ILE 25 CO 0.16 0.14 -0.18 -0.09 -0.69 0.00 0.00 178.15 177.48 1ifu h ARG 26 N 0.08 0.85 -0.46 2.37 2.43 -0.97 -2.03 114.38 116.66 1ifu h ARG 26 Ca 0.02 -0.36 -0.10 0.00 -0.81 0.00 0.00 59.98 58.72 1ifu h ARG 26 Cb 0.22 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1ifu h ARG 26 CO 0.01 1.00 -0.13 0.00 -1.51 0.00 0.00 179.97 179.35 1ifu h ALA 27 N 0.82 0.92 -0.05 2.80 0.00 -0.21 -1.76 119.26 121.78 1ifu h ALA 27 Ca 0.09 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ifu h ALA 27 Cb 0.74 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ifu h ALA 27 CO 0.06 0.63 0.02 0.28 0.00 0.00 0.00 179.25 180.23 1ifu h VAL 28 N 0.75 1.13 -0.76 0.00 2.07 -1.13 -2.28 116.25 116.04 1ifu h VAL 28 Ca 0.12 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.35 1ifu h VAL 28 Cb 0.63 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 1ifu h VAL 28 CO 0.04 0.10 0.42 0.03 0.02 0.00 0.00 177.57 178.19 1ifu h ARG 29 N -0.07 0.70 0.00 1.57 3.08 -1.21 0.05 114.38 118.50 1ifu h ARG 29 Ca 0.02 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1ifu h ARG 29 Cb 0.15 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1ifu h ARG 29 CO -0.00 0.47 -0.15 0.78 -1.07 0.00 0.00 179.97 180.00 1ifu h GLY 30 N 0.73 0.00 1.22 0.04 0.00 -1.12 -2.32 103.07 101.61 1ifu h GLY 30 Ca 0.36 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.41 1ifu h GLY 30 CO -0.23 0.00 -1.55 3.21 0.00 0.00 0.00 176.54 177.97 1ifu h ARG 31 N 0.00 0.03 -0.37 4.80 -0.00 -0.60 -3.37 114.38 114.87 1ifu h ARG 31 Ca -0.00 -0.04 -0.15 0.00 -0.50 0.00 0.00 59.98 59.29 1ifu h ARG 31 Cb 0.32 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.30 1ifu h ARG 31 CO 0.02 0.68 -0.34 -0.07 0.00 0.00 0.00 179.97 180.25 1ifu h LEU 32 N 0.01 0.94 -9.52 3.04 4.07 -0.67 -3.46 115.31 109.71 1ifu h LEU 32 Ca -0.22 -0.46 -0.65 0.00 0.08 0.00 0.00 57.88 56.62 1ifu h LEU 32 Cb 1.96 -0.26 -0.11 0.00 1.08 0.00 0.00 40.66 43.33 1ifu h LEU 32 CO 0.10 1.20 -0.63 0.28 -1.08 0.00 0.00 178.44 178.31 1ifu s THR 33 N -4.41 4.27 -0.49 0.22 -1.32 -0.91 -4.51 115.64 108.49 1ifu s THR 33 Ca -0.11 -0.80 0.23 0.00 -1.21 0.00 0.00 61.69 59.79 1ifu s THR 33 Cb 0.10 -3.01 -0.09 0.00 -1.51 0.00 0.00 72.50 67.99 1ifu s THR 33 CO 0.87 0.18 1.02 0.35 -2.21 0.00 0.00 174.62 174.83 1ifu n THR 34 N 0.72 0.27 -0.35 5.08 -2.24 -1.26 -4.83 114.28 111.67 1ifu n THR 34 Ca -0.11 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1ifu n THR 34 Cb 0.52 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1ifu n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ifu n GLY 35 N 1.32 1.83 0.22 3.38 0.00 -1.26 -4.87 105.19 105.80 1ifu n GLY 35 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 1ifu n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ifu h ALA 36 N 0.00 1.00 -3.12 4.61 0.00 -1.93 -3.42 119.26 116.40 1ifu h ALA 36 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1ifu h ALA 36 Cb 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.38 1ifu h ALA 36 CO 0.00 0.00 -0.76 0.34 0.00 0.00 0.00 179.25 178.83 1ifu s ASP 37 N -5.60 2.63 -0.07 0.00 2.15 -1.26 -5.11 116.67 109.42 1ifu s ASP 37 Ca 0.05 -0.74 0.02 0.00 0.43 0.00 0.00 52.55 52.32 1ifu s ASP 37 Cb 0.08 -0.38 0.01 0.00 -0.30 0.00 0.00 42.92 42.33 1ifu s ASP 37 CO 0.59 -0.34 -0.14 -0.69 -0.17 0.00 0.00 175.17 174.42 1ifu s VAL 38 N 2.03 1.25 -0.26 1.11 1.01 -1.26 -1.19 120.40 123.09 1ifu s VAL 38 Ca 0.01 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1ifu s VAL 38 Cb -0.16 -1.13 0.07 0.00 0.00 0.00 0.00 36.38 35.16 1ifu s VAL 38 CO -0.10 0.38 -0.01 -0.60 0.00 0.00 0.00 175.10 174.77 1ifu s ARG 39 N 0.63 1.41 -1.32 2.72 6.06 0.11 -4.76 118.95 123.81 1ifu s ARG 39 Ca -0.15 -1.09 -0.07 0.00 -2.50 0.00 0.00 55.73 51.91 1ifu s ARG 39 Cb -0.16 -2.56 0.01 0.00 0.06 0.00 0.00 34.95 32.30 1ifu s ARG 39 CO 0.04 -0.71 0.97 0.72 -2.50 0.00 0.00 175.30 173.82 1ifu n HIS 40 N 4.66 -2.48 -1.07 5.12 8.25 -1.26 -2.09 115.22 126.35 1ifu n HIS 40 Ca -0.08 0.83 -0.02 0.00 -0.26 0.00 0.00 57.72 58.18 1ifu n HIS 40 Cb 0.44 -4.65 -0.01 0.00 1.12 0.00 0.00 29.99 26.89 1ifu n HIS 40 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1ifu n GLU 41 N -4.48 -0.84 -4.27 -0.41 0.28 -1.26 -4.93 120.64 104.73 1ifu n GLU 41 Ca -0.02 0.38 -0.33 0.00 -0.16 0.00 0.00 57.16 57.03 1ifu n GLU 41 Cb 0.57 -4.11 -0.16 0.00 1.43 0.00 0.00 31.44 29.17 1ifu n GLU 41 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1ifu s ILE 42 N -1.75 2.40 0.51 3.84 1.01 -0.89 -5.09 121.20 121.23 1ifu s ILE 42 Ca 0.00 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 59.59 1ifu s ILE 42 Cb 0.00 -2.02 -0.06 0.00 0.01 0.00 0.00 42.46 40.39 1ifu s ILE 42 CO 0.00 0.52 1.27 -2.84 0.00 0.00 0.00 174.94 173.89 1ifu s PRO 43 N 1.14 3.41 -0.03 2.79 0.02 -1.26 -0.71 135.00 140.36 1ifu s PRO 43 Ca 0.01 2.04 0.04 0.00 0.02 0.00 0.00 61.00 63.10 1ifu s PRO 43 Cb -0.14 -2.32 -0.03 0.00 0.02 0.00 0.00 34.50 32.03 1ifu s PRO 43 CO -0.07 -0.91 -0.13 0.08 -0.33 0.00 0.00 177.00 175.64 1ifu s VAL 44 N -1.41 3.13 0.70 3.83 1.01 -0.33 -1.39 120.40 125.94 1ifu s VAL 44 Ca 0.68 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1ifu s VAL 44 Cb -0.35 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 33.78 1ifu s VAL 44 CO 0.42 0.53 1.07 -0.76 0.00 0.00 0.00 175.10 176.36 1ifu s LEU 45 N -0.92 3.15 0.79 3.92 1.43 0.12 -4.72 118.68 122.44 1ifu s LEU 45 Ca 0.13 1.68 -0.15 0.00 -1.03 0.00 0.00 54.13 54.76 1ifu s LEU 45 Cb -0.11 -4.50 0.01 0.00 0.03 0.00 0.00 46.19 41.62 1ifu s LEU 45 CO 0.02 -1.53 0.76 -2.65 0.23 0.00 0.00 176.35 173.17 1ifu n PRO 46 N -3.09 0.20 -3.30 1.29 -0.02 -1.26 -4.11 135.00 124.71 1ifu n PRO 46 Ca 0.08 0.12 -0.38 0.00 -2.02 0.00 0.00 63.50 61.30 1ifu n PRO 46 Cb 0.53 -2.06 -0.06 0.00 -0.02 0.00 0.00 33.50 31.89 1ifu n PRO 46 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ifu s ASN 47 N -1.76 6.98 0.32 2.55 3.04 -1.26 -4.51 114.94 120.30 1ifu s ASN 47 Ca 0.67 1.16 0.04 0.00 0.04 0.00 0.00 52.86 54.77 1ifu s ASN 47 Cb -0.31 -2.34 0.56 0.00 -1.54 0.00 0.00 41.25 37.62 1ifu s ASN 47 CO 0.56 0.22 1.84 -0.09 -3.04 0.00 0.00 177.10 176.60 1ifu h ARG 48 N 4.98 0.51 -6.39 0.43 2.43 -1.93 -3.35 114.38 111.06 1ifu h ARG 48 Ca -0.48 -0.13 -0.57 0.00 -0.81 0.00 0.00 59.98 57.99 1ifu h ARG 48 Cb 1.21 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.65 1ifu h ARG 48 CO 0.65 0.58 1.03 0.14 -1.51 0.00 0.00 179.97 180.87 1ifu s VAL 49 N -4.85 3.98 0.00 0.20 -7.23 -1.26 -2.65 120.40 108.59 1ifu s VAL 49 Ca -0.07 1.08 0.00 0.00 -1.81 0.00 0.00 61.98 61.17 1ifu s VAL 49 Cb 0.15 -4.08 0.00 0.00 0.56 0.00 0.00 36.38 33.01 1ifu s VAL 49 CO 0.77 -0.52 0.00 0.61 -0.31 0.00 0.00 175.10 175.65 1ifu n GLY 50 N 4.61 3.17 3.66 2.32 0.00 -1.26 -5.05 105.19 112.64 1ifu n GLY 50 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1ifu n GLY 50 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ifu s LEU 51 N 0.00 4.38 0.47 0.99 2.96 -1.08 -4.96 118.68 121.43 1ifu s LEU 51 Ca 0.00 2.55 -0.22 0.00 -0.22 0.00 0.00 54.13 56.23 1ifu s LEU 51 Cb 0.00 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 43.09 1ifu s LEU 51 CO 0.00 -1.05 1.15 -2.84 -1.32 0.00 0.00 176.35 172.29 1ifu s PRO 52 N 4.41 3.74 0.56 0.98 0.02 -1.26 -4.92 135.00 138.54 1ifu s PRO 52 Ca 0.85 1.72 0.25 0.00 0.02 0.00 0.00 61.00 63.85 1ifu s PRO 52 Cb -0.40 -2.36 1.62 0.00 0.02 0.00 0.00 34.50 33.38 1ifu s PRO 52 CO 0.39 -0.55 2.21 -0.84 -0.33 0.00 0.00 177.00 177.87 1ifu h ILE 53 N 1.80 0.68 0.00 2.83 -0.00 -2.00 -0.73 117.51 120.10 1ifu h ILE 53 Ca -0.49 -0.05 0.00 0.00 -0.00 0.00 0.00 64.86 64.31 1ifu h ILE 53 Cb 1.25 1.03 0.00 0.00 -0.00 0.00 0.00 36.82 39.10 1ifu h ILE 53 CO 0.60 0.01 0.00 -0.46 -0.00 0.00 0.00 178.15 178.30 1ifu n ASN 54 N -4.04 0.00 -0.44 2.16 6.94 -1.26 -1.81 115.26 116.81 1ifu n ASN 54 Ca -0.03 0.24 0.04 0.00 -0.02 0.00 0.00 54.58 54.81 1ifu n ASN 54 Cb 0.10 -0.35 0.07 0.00 -2.36 0.00 0.00 39.78 37.23 1ifu n ASN 54 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ifu n GLN 55 N -1.35 0.58 0.07 -3.83 6.02 -0.29 -4.81 117.38 113.76 1ifu n GLN 55 Ca 0.05 -1.83 -0.00 0.00 -0.01 0.00 0.00 57.00 55.21 1ifu n GLN 55 Cb 0.11 -0.90 -0.05 0.00 1.02 0.00 0.00 30.24 30.41 1ifu n GLN 55 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1ifu h ARG 56 N 0.16 0.00 -4.93 -1.09 9.65 -1.19 -3.46 114.38 113.52 1ifu h ARG 56 Ca -0.02 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.52 1ifu h ARG 56 Cb 1.27 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.71 1ifu h ARG 56 CO 0.01 0.43 -0.65 -0.06 2.80 0.00 0.00 179.97 182.50 1ifu s PHE 57 N -2.90 1.42 0.02 2.20 0.08 -1.26 -0.70 117.98 116.84 1ifu s PHE 57 Ca -0.00 -1.02 -0.02 0.00 0.12 0.00 0.00 56.93 56.01 1ifu s PHE 57 Cb 0.08 -0.82 -0.01 0.00 -0.57 0.00 0.00 43.02 41.70 1ifu s PHE 57 CO 0.79 -0.18 0.01 0.96 -0.10 0.00 0.00 175.22 176.70 1ifu s ILE 58 N -3.59 0.10 -0.04 0.64 -4.36 -1.06 -4.37 121.20 108.52 1ifu s ILE 58 Ca 0.29 -0.84 0.04 0.00 -0.26 0.00 0.00 60.65 59.87 1ifu s ILE 58 Cb 0.06 -0.30 -0.03 0.00 1.25 0.00 0.00 42.46 43.45 1ifu s ILE 58 CO 0.08 -0.46 -0.14 -0.76 0.24 0.00 0.00 174.94 173.90 1ifu s LEU 59 N -1.42 2.79 -0.25 0.37 1.43 0.89 -1.29 118.68 121.21 1ifu s LEU 59 Ca -0.15 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1ifu s LEU 59 Cb -0.09 -1.58 0.05 0.00 0.03 0.00 0.00 46.19 44.59 1ifu s LEU 59 CO -0.00 0.33 -0.11 -0.69 0.23 0.00 0.00 176.35 176.11 1ifu s VAL 60 N -0.78 2.33 -0.45 -1.59 1.01 -0.51 -0.44 120.40 119.97 1ifu s VAL 60 Ca 0.12 -1.40 -0.19 0.00 0.00 0.00 0.00 61.98 60.51 1ifu s VAL 60 Cb -0.11 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 34.03 1ifu s VAL 60 CO 0.01 0.10 0.57 -0.70 0.00 0.00 0.00 175.10 175.08 1ifu s GLU 61 N 1.18 3.17 -0.18 2.72 2.12 0.63 -0.34 118.70 128.00 1ifu s GLU 61 Ca -0.05 -0.66 -0.09 0.00 0.36 0.00 0.00 54.97 54.53 1ifu s GLU 61 Cb -0.18 -4.00 -0.05 0.00 0.26 0.00 0.00 34.13 30.16 1ifu s GLU 61 CO -0.06 -1.02 0.11 -0.51 -0.54 0.00 0.00 175.26 173.24 1ifu s LEU 62 N 2.53 4.13 0.11 2.70 1.43 0.72 -1.58 118.68 128.71 1ifu s LEU 62 Ca 0.17 0.24 0.07 0.00 -1.03 0.00 0.00 54.13 53.57 1ifu s LEU 62 Cb -0.17 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 1ifu s LEU 62 CO 0.15 0.23 -0.17 -0.44 0.23 0.00 0.00 176.35 176.35 1ifu s SER 63 N 0.05 2.19 0.24 2.29 0.01 -0.49 -1.22 113.70 116.77 1ifu s SER 63 Ca 0.08 -0.71 0.01 0.00 1.31 0.00 0.00 55.95 56.64 1ifu s SER 63 Cb -0.11 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 1ifu s SER 63 CO -0.00 -0.04 0.05 -0.46 0.41 0.00 0.00 173.24 173.20 1ifu n ASN 64 N 0.92 1.68 0.28 2.44 0.23 -0.53 -1.38 115.26 118.91 1ifu n ASN 64 Ca -0.18 -2.19 0.17 0.00 -0.53 0.00 0.00 54.58 51.84 1ifu n ASN 64 Cb 0.55 0.43 0.78 0.00 -2.08 0.00 0.00 39.78 39.46 1ifu n ASN 64 CO 0.00 0.00 0.00 -0.74 -0.93 0.00 0.00 177.26 175.59 1ifu h HIS 65 N 1.29 0.00 -0.04 -2.53 -0.00 -1.89 -1.63 115.15 110.34 1ifu h HIS 65 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.18 1ifu h HIS 65 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.08 1ifu h HIS 65 CO 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 177.93 177.99 1ifu n ALA 66 N -2.15 2.59 -2.21 5.26 0.00 -1.26 -4.87 120.51 117.87 1ifu n ALA 66 Ca -0.01 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.09 1ifu n ALA 66 Cb 0.26 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 1ifu n ALA 66 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ifu n GLU 67 N -0.54 -1.07 -4.06 0.00 -0.58 -0.61 -5.01 120.64 108.76 1ifu n GLU 67 Ca 0.14 0.67 -0.35 0.00 -0.42 0.00 0.00 57.16 57.20 1ifu n GLU 67 Cb 0.12 -4.90 -0.07 0.00 -0.57 0.00 0.00 31.44 26.02 1ifu n GLU 67 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ifu s LEU 68 N -3.82 4.05 0.15 -4.62 1.43 -1.26 -4.90 118.68 109.71 1ifu s LEU 68 Ca 0.00 0.27 0.09 0.00 -1.03 0.00 0.00 54.13 53.46 1ifu s LEU 68 Cb 0.00 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1ifu s LEU 68 CO 0.00 0.34 -0.20 -0.44 0.23 0.00 0.00 176.35 176.27 1ifu s SER 69 N -1.37 2.75 -0.11 2.29 0.01 -1.26 -1.45 113.70 114.56 1ifu s SER 69 Ca 0.19 -0.80 -0.18 0.00 1.31 0.00 0.00 55.95 56.47 1ifu s SER 69 Cb -0.12 -0.17 0.04 0.00 0.21 0.00 0.00 66.02 65.99 1ifu s SER 69 CO 0.09 0.02 0.46 0.54 0.41 0.00 0.00 173.24 174.76 1ifu s VAL 70 N -1.69 0.02 -0.23 3.43 0.11 -0.36 -4.64 120.40 117.04 1ifu s VAL 70 Ca 0.13 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 1ifu s VAL 70 Cb -0.07 -0.70 0.04 0.00 -1.53 0.00 0.00 36.38 34.12 1ifu s VAL 70 CO 0.06 -0.08 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.73 1ifu s THR 71 N -0.42 2.21 0.29 5.04 2.01 -0.36 -0.20 115.64 124.21 1ifu s THR 71 Ca -0.06 -1.27 -0.14 0.00 0.31 0.00 0.00 61.69 60.53 1ifu s THR 71 Cb -0.03 -2.13 -0.09 0.00 0.01 0.00 0.00 72.50 70.27 1ifu s THR 71 CO 0.03 0.24 0.69 -0.76 -0.69 0.00 0.00 174.62 174.13 1ifu s LEU 72 N 1.21 4.11 -0.18 4.42 1.43 0.54 -0.78 118.68 129.42 1ifu s LEU 72 Ca -0.02 1.21 -0.02 0.00 -1.03 0.00 0.00 54.13 54.27 1ifu s LEU 72 Cb -0.17 -3.95 -0.01 0.00 0.03 0.00 0.00 46.19 42.10 1ifu s LEU 72 CO -0.08 -0.16 -0.10 0.00 0.23 0.00 0.00 176.35 176.24 1ifu s ALA 73 N -1.91 2.67 -0.09 4.21 0.00 0.58 -1.43 121.76 125.78 1ifu s ALA 73 Ca 0.52 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 1ifu s ALA 73 Cb -0.11 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 1ifu s ALA 73 CO 0.18 -0.14 -0.02 -0.51 0.00 0.00 0.00 175.76 175.28 1ifu s LEU 74 N 0.98 3.43 -0.15 0.00 1.02 -0.41 -0.65 118.68 122.91 1ifu s LEU 74 Ca -0.01 0.06 -0.27 0.00 0.02 0.00 0.00 54.13 53.93 1ifu s LEU 74 Cb -0.15 -1.78 -0.01 0.00 0.02 0.00 0.00 46.19 44.27 1ifu s LEU 74 CO -0.01 0.34 0.90 -0.62 0.02 0.00 0.00 176.35 176.98 1ifu s ASP 75 N -0.65 7.07 0.50 2.29 -1.08 0.15 -2.56 116.67 122.39 1ifu s ASP 75 Ca 0.10 1.31 0.21 0.00 -0.52 0.00 0.00 52.55 53.65 1ifu s ASP 75 Cb -0.12 -2.49 1.29 0.00 -1.46 0.00 0.00 42.92 40.14 1ifu s ASP 75 CO 0.02 -0.42 2.07 0.58 0.52 0.00 0.00 175.17 177.94 1ifu h VAL 76 N 5.16 0.86 0.00 1.11 2.07 -1.24 0.19 116.25 124.38 1ifu h VAL 76 Ca -0.30 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1ifu h VAL 76 Cb 1.13 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1ifu h VAL 76 CO 0.85 0.12 0.00 0.35 0.02 0.00 0.00 177.57 178.91 1ifu n THR 77 N -4.06 0.15 -1.30 2.57 -2.24 -1.26 -4.26 114.28 103.88 1ifu n THR 77 Ca -0.02 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1ifu n THR 77 Cb 0.20 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1ifu n THR 77 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1ifu n ASN 78 N -1.26 0.00 -0.99 3.42 0.23 -1.09 -4.48 115.26 111.08 1ifu n ASN 78 Ca 0.13 -0.59 -0.13 0.00 -0.53 0.00 0.00 54.58 53.46 1ifu n ASN 78 Cb 0.20 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.84 1ifu n ASN 78 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ifu n ALA 79 N 0.00 -0.20 -1.77 -2.53 0.00 0.64 -4.98 120.51 111.67 1ifu n ALA 79 Ca 0.00 0.21 -0.40 0.00 0.00 0.00 0.00 53.44 53.25 1ifu n ALA 79 Cb 0.15 -1.54 -0.05 0.00 0.00 0.00 0.00 19.45 18.00 1ifu n ALA 79 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ifu s TYR 80 N -2.38 3.83 -0.33 0.00 6.14 -1.24 -4.59 117.35 118.79 1ifu s TYR 80 Ca 0.00 1.83 -0.27 0.00 0.64 0.00 0.00 57.07 59.28 1ifu s TYR 80 Cb 0.00 -3.10 0.01 0.00 0.42 0.00 0.00 41.96 39.30 1ifu s TYR 80 CO 0.00 0.08 0.95 0.08 0.64 0.00 0.00 175.55 177.30 1ifu s VAL 81 N -1.12 4.61 -0.12 3.14 1.01 -1.26 -0.67 120.40 125.98 1ifu s VAL 81 Ca 0.43 1.44 0.18 0.00 0.00 0.00 0.00 61.98 64.02 1ifu s VAL 81 Cb -0.28 -4.32 -0.20 0.00 0.00 0.00 0.00 36.38 31.58 1ifu s VAL 81 CO 0.35 -0.43 0.59 1.33 0.00 0.00 0.00 175.10 176.95 1ifu n VAL 82 N 5.80 1.09 -1.03 2.92 0.24 0.18 -4.92 118.33 122.62 1ifu n VAL 82 Ca 0.08 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 1ifu n VAL 82 Cb 0.48 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.25 1ifu n VAL 82 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ifu n GLY 83 N 1.47 -1.34 3.32 7.63 0.00 -1.24 -1.84 105.19 113.19 1ifu n GLY 83 Ca -0.15 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 1ifu n GLY 83 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ifu s TYR 84 N -2.32 0.31 -0.07 1.61 1.13 -0.58 -0.31 117.35 117.12 1ifu s TYR 84 Ca 0.00 -0.68 0.04 0.00 -1.41 0.00 0.00 57.07 55.02 1ifu s TYR 84 Cb 0.00 -0.03 -0.00 0.00 -1.10 0.00 0.00 41.96 40.83 1ifu s TYR 84 CO 0.00 -0.70 -0.19 0.50 -2.51 0.00 0.00 175.55 172.65 1ifu s ARG 85 N -3.94 2.23 -0.22 -3.49 3.52 0.04 -1.47 118.95 115.62 1ifu s ARG 85 Ca 0.14 -0.69 -0.04 0.00 -0.13 0.00 0.00 55.73 55.01 1ifu s ARG 85 Cb 0.03 -1.82 0.07 0.00 -1.56 0.00 0.00 34.95 31.68 1ifu s ARG 85 CO -0.02 0.20 0.10 0.00 -0.81 0.00 0.00 175.30 174.77 1ifu s ALA 86 N 0.22 0.60 0.00 6.12 0.00 -0.68 -1.22 121.76 126.79 1ifu s ALA 86 Ca -0.10 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1ifu s ALA 86 Cb -0.15 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.79 1ifu s ALA 86 CO 0.05 -1.35 0.00 0.41 0.00 0.00 0.00 175.76 174.87 1ifu n GLY 87 N 5.23 3.35 0.12 0.00 0.00 -1.26 -2.63 105.19 110.00 1ifu n GLY 87 Ca -0.07 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 45.96 1ifu n GLY 87 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ifu n ASN 88 N 8.13 0.74 -4.68 1.61 6.94 -1.26 -4.93 115.26 121.82 1ifu n ASN 88 Ca 0.00 -0.55 -0.23 0.00 -0.02 0.00 0.00 54.58 53.77 1ifu n ASN 88 Cb 0.00 0.19 -0.07 0.00 -2.36 0.00 0.00 39.78 37.55 1ifu n ASN 88 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1ifu s SER 89 N -2.76 4.75 -0.02 0.53 0.01 -1.08 -1.26 113.70 113.87 1ifu s SER 89 Ca 0.17 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.91 1ifu s SER 89 Cb 0.18 -0.97 0.01 0.00 0.21 0.00 0.00 66.02 65.46 1ifu s SER 89 CO 0.61 0.00 -0.05 0.00 0.41 0.00 0.00 173.24 174.22 1ifu s ALA 90 N -2.22 0.56 -0.02 1.44 0.00 0.17 -1.69 121.76 119.99 1ifu s ALA 90 Ca 0.31 -0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.23 1ifu s ALA 90 Cb -0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1ifu s ALA 90 CO 0.21 0.04 -0.23 0.71 0.00 0.00 0.00 175.76 176.49 1ifu s TYR 91 N 0.46 2.08 -0.02 0.00 1.51 -0.55 0.75 117.35 121.60 1ifu s TYR 91 Ca -0.06 -0.43 0.03 0.00 -1.01 0.00 0.00 57.07 55.61 1ifu s TYR 91 Cb -0.09 -1.35 -0.00 0.00 -0.11 0.00 0.00 41.96 40.40 1ifu s TYR 91 CO -0.00 -0.06 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.20 1ifu s PHE 92 N -0.47 1.10 0.88 2.71 0.08 -0.18 -1.53 117.98 120.58 1ifu s PHE 92 Ca 0.07 -0.24 -0.11 0.00 0.12 0.00 0.00 56.93 56.76 1ifu s PHE 92 Cb -0.10 -0.74 0.12 0.00 -0.57 0.00 0.00 43.02 41.74 1ifu s PHE 92 CO -0.00 -0.06 1.09 -0.06 -0.10 0.00 0.00 175.22 176.09 1ifu s PHE 93 N -0.10 2.29 -0.06 0.36 0.08 -0.76 -0.22 117.98 119.56 1ifu s PHE 93 Ca 0.01 1.35 -0.30 0.00 0.12 0.00 0.00 56.93 58.12 1ifu s PHE 93 Cb -0.07 -3.15 -0.06 0.00 -0.57 0.00 0.00 43.02 39.18 1ifu s PHE 93 CO 0.00 -2.36 1.75 -1.58 -0.10 0.00 0.00 175.22 172.94 1ifu s HIS 94 N -2.89 1.78 0.38 0.36 5.65 0.31 -4.66 115.29 116.22 1ifu s HIS 94 Ca 0.63 0.08 -0.28 0.00 0.25 0.00 0.00 55.06 55.74 1ifu s HIS 94 Cb -0.18 -4.01 -0.11 0.00 -1.18 0.00 0.00 32.58 27.10 1ifu s HIS 94 CO 0.57 -4.20 1.48 -2.14 -0.65 0.00 0.00 174.74 169.81 1ifu s PRO 95 N 4.32 4.10 -0.08 2.88 0.02 -1.26 -4.57 135.00 140.40 1ifu s PRO 95 Ca 0.78 2.57 0.14 0.00 0.02 0.00 0.00 61.00 64.51 1ifu s PRO 95 Cb -0.35 -2.96 0.55 0.00 0.02 0.00 0.00 34.50 31.76 1ifu s PRO 95 CO 0.33 -0.54 1.43 -0.40 -0.33 0.00 0.00 177.00 177.48 1ifu n ASP 96 N 0.44 3.69 -3.63 2.53 5.68 -1.26 -4.91 116.55 119.10 1ifu n ASP 96 Ca 0.01 -2.31 -0.02 0.00 -0.50 0.00 0.00 54.79 51.98 1ifu n ASP 96 Cb 0.39 -0.49 -0.00 0.00 -1.14 0.00 0.00 41.12 39.88 1ifu n ASP 96 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ifu s ASN 97 N -0.82 -0.09 0.16 -1.12 2.20 -1.26 -5.06 114.94 108.94 1ifu s ASN 97 Ca 0.39 -0.40 -0.05 0.00 -0.94 0.00 0.00 52.86 51.86 1ifu s ASN 97 Cb 0.25 0.39 0.00 0.00 -2.00 0.00 0.00 41.25 39.90 1ifu s ASN 97 CO 0.20 -0.75 1.41 -0.61 -2.94 0.00 0.00 177.10 174.41 1ifu h GLN 98 N 2.00 0.56 -0.71 3.55 -0.00 -1.98 -1.42 115.11 117.12 1ifu h GLN 98 Ca -0.26 -0.43 -0.07 0.00 -0.00 0.00 0.00 58.65 57.89 1ifu h GLN 98 Cb 1.22 0.08 -0.03 0.00 0.00 0.00 0.00 27.48 28.75 1ifu h GLN 98 CO 0.29 1.06 0.18 0.93 0.00 0.00 0.00 178.83 181.28 1ifu h GLU 99 N 0.40 1.13 -0.39 1.69 3.07 -1.98 -0.33 114.58 118.17 1ifu h GLU 99 Ca -0.03 -0.27 -0.10 0.00 -0.50 0.00 0.00 59.36 58.47 1ifu h GLU 99 Cb 1.28 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 29.03 1ifu h GLU 99 CO 0.13 0.99 -0.14 -0.44 -1.40 0.00 0.00 179.01 178.15 1ifu h ASP 100 N 1.07 0.80 0.16 1.42 3.32 -1.97 0.34 116.42 121.56 1ifu h ASP 100 Ca 0.22 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1ifu h ASP 100 Cb 0.37 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1ifu h ASP 100 CO 0.00 1.00 -0.14 0.00 -1.72 0.00 0.00 179.24 178.38 1ifu h ALA 101 N 0.82 1.70 0.15 3.45 0.00 -0.90 -2.32 119.26 122.16 1ifu h ALA 101 Ca 0.09 -0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 1ifu h ALA 101 Cb 0.68 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ifu h ALA 101 CO 0.05 0.18 -1.46 1.49 0.00 0.00 0.00 179.25 179.51 1ifu h GLU 102 N 0.00 0.33 -0.22 0.00 4.22 -0.61 -3.35 114.58 114.94 1ifu h GLU 102 Ca -0.00 -0.56 -0.01 0.00 0.08 0.00 0.00 59.36 58.87 1ifu h GLU 102 Cb 0.26 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1ifu h GLU 102 CO 0.02 1.23 0.09 0.00 -2.18 0.00 0.00 179.01 178.16 1ifu h ALA 103 N 0.42 0.29 0.00 2.92 0.00 0.08 -2.53 119.26 120.44 1ifu h ALA 103 Ca -0.22 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ifu h ALA 103 Cb 2.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1ifu h ALA 103 CO 0.20 -0.12 0.00 0.44 0.00 0.00 0.00 179.25 179.77 1ifu n ILE 104 N -4.81 1.34 1.02 0.00 -5.35 -0.91 -1.48 119.36 109.17 1ifu n ILE 104 Ca -0.03 0.33 0.12 0.00 -0.27 0.00 0.00 62.75 62.90 1ifu n ILE 104 Cb 0.13 -1.25 0.57 0.00 -1.74 0.00 0.00 39.64 37.34 1ifu n ILE 104 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1ifu n THR 105 N -1.40 0.30 1.19 7.28 -2.24 -0.95 -2.60 114.28 115.84 1ifu n THR 105 Ca 0.02 0.07 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 1ifu n THR 105 Cb 0.05 -0.68 0.25 0.00 -2.10 0.00 0.00 70.33 67.85 1ifu n THR 105 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ifu n HIS 106 N -1.35 0.00 -3.93 4.78 8.25 -0.55 -4.81 115.22 117.61 1ifu n HIS 106 Ca 0.09 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.22 1ifu n HIS 106 Cb 0.21 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.26 1ifu n HIS 106 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ifu s LEU 107 N -2.08 4.30 -1.59 2.41 1.43 -1.07 -4.51 118.68 117.57 1ifu s LEU 107 Ca 0.30 0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 53.66 1ifu s LEU 107 Cb 0.20 -2.51 0.06 0.00 0.03 0.00 0.00 46.19 43.98 1ifu s LEU 107 CO 0.35 0.28 0.32 0.49 0.23 0.00 0.00 176.35 178.02 1ifu n PHE 108 N 1.09 -1.41 0.29 0.29 3.72 -1.26 -4.77 117.46 115.40 1ifu n PHE 108 Ca -0.12 0.69 0.16 0.00 -0.05 0.00 0.00 57.45 58.12 1ifu n PHE 108 Cb 0.53 -2.91 0.90 0.00 -0.94 0.00 0.00 39.48 37.06 1ifu n PHE 108 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1ifu h THR 109 N -1.61 0.45 -0.00 4.37 1.35 -1.87 -2.59 112.91 113.01 1ifu h THR 109 Ca -0.63 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1ifu h THR 109 Cb 1.39 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1ifu h THR 109 CO 0.73 0.03 -0.31 -0.90 -0.25 0.00 0.00 175.52 174.82 1ifu n ASP 110 N -3.67 0.80 -4.77 5.36 5.75 -1.26 -4.91 116.55 113.86 1ifu n ASP 110 Ca -0.03 -0.64 -0.35 0.00 -0.01 0.00 0.00 54.79 53.76 1ifu n ASP 110 Cb 0.13 0.14 0.02 0.00 -1.03 0.00 0.00 41.12 40.38 1ifu n ASP 110 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1ifu s VAL 111 N -2.66 3.00 -0.15 2.12 -7.23 -0.98 -4.94 120.40 109.55 1ifu s VAL 111 Ca 0.20 0.59 0.17 0.00 -1.81 0.00 0.00 61.98 61.14 1ifu s VAL 111 Cb 0.19 -3.21 -0.06 0.00 0.56 0.00 0.00 36.38 33.86 1ifu s VAL 111 CO 0.57 -0.16 1.01 1.56 -0.31 0.00 0.00 175.10 177.77 1ifu h GLN 112 N 0.90 0.00 -4.30 4.82 7.50 -1.52 -3.43 115.11 119.07 1ifu h GLN 112 Ca -0.50 0.00 -0.61 0.00 0.50 0.00 0.00 58.65 58.04 1ifu h GLN 112 Cb 1.27 0.00 -0.38 0.00 0.05 0.00 0.00 27.48 28.42 1ifu h GLN 112 CO 0.56 0.29 -0.78 -0.80 -1.50 0.00 0.00 178.83 176.60 1ifu s ASN 113 N -5.89 3.91 -0.22 1.46 0.01 -0.75 -5.03 114.94 108.43 1ifu s ASN 113 Ca -0.01 -1.27 -0.06 0.00 -0.71 0.00 0.00 52.86 50.81 1ifu s ASN 113 Cb 0.08 -1.17 -0.03 0.00 0.41 0.00 0.00 41.25 40.54 1ifu s ASN 113 CO 0.79 -0.26 0.04 -0.13 -1.51 0.00 0.00 177.10 176.02 1ifu s ARG 114 N 1.39 3.67 0.07 -0.60 0.52 -1.26 0.43 118.95 123.16 1ifu s ARG 114 Ca -0.03 -0.48 0.07 0.00 -0.52 0.00 0.00 55.73 54.76 1ifu s ARG 114 Cb -0.19 -3.19 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 1ifu s ARG 114 CO -0.08 -0.04 -0.20 0.71 0.02 0.00 0.00 175.30 175.71 1ifu s TYR 115 N 1.19 1.69 -0.20 -0.53 2.02 0.23 -4.94 117.35 116.81 1ifu s TYR 115 Ca 0.04 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.36 1ifu s TYR 115 Cb -0.14 -0.97 0.04 0.00 -0.40 0.00 0.00 41.96 40.48 1ifu s TYR 115 CO 0.02 0.13 -0.13 0.99 -1.57 0.00 0.00 175.55 174.99 1ifu s THR 116 N -0.98 1.84 0.98 -0.71 2.01 -1.26 -1.01 115.64 116.50 1ifu s THR 116 Ca 0.06 -1.08 -0.11 0.00 0.31 0.00 0.00 61.69 60.87 1ifu s THR 116 Cb -0.09 -1.84 0.18 0.00 0.01 0.00 0.00 72.50 70.76 1ifu s THR 116 CO 0.03 0.24 1.08 0.49 -0.69 0.00 0.00 174.62 175.77 1ifu n PHE 117 N 4.63 0.28 1.00 4.92 3.72 0.69 -4.91 117.46 127.79 1ifu n PHE 117 Ca -0.16 0.27 0.11 0.00 -0.05 0.00 0.00 57.45 57.62 1ifu n PHE 117 Cb 0.47 -1.92 0.15 0.00 -0.94 0.00 0.00 39.48 37.23 1ifu n PHE 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ifu n ALA 118 N -4.41 3.88 -2.68 4.37 0.00 -1.26 -3.64 120.51 116.77 1ifu n ALA 118 Ca 0.10 -0.42 -0.24 0.00 0.00 0.00 0.00 53.44 52.88 1ifu n ALA 118 Cb 0.53 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.88 1ifu n ALA 118 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ifu s PHE 119 N -3.00 2.80 0.72 0.00 -0.71 -1.26 -4.81 117.98 111.71 1ifu s PHE 119 Ca 0.10 -0.18 -0.00 0.00 -1.04 0.00 0.00 56.93 55.81 1ifu s PHE 119 Cb 0.17 -1.28 0.13 0.00 -1.21 0.00 0.00 43.02 40.82 1ifu s PHE 119 CO 0.75 0.57 0.99 0.20 -1.34 0.00 0.00 175.22 176.39 1ifu s GLY 120 N -3.46 1.76 -0.19 1.99 0.00 -1.26 -0.53 107.32 105.63 1ifu s GLY 120 Ca 0.30 -1.74 0.14 0.00 0.00 0.00 0.00 44.72 43.42 1ifu s GLY 120 CO 0.20 -1.18 1.62 0.61 0.00 0.00 0.00 173.10 174.36 1ifu n GLY 121 N -2.82 2.77 3.81 0.20 0.00 -1.26 -4.64 105.19 103.25 1ifu n GLY 121 Ca 0.15 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 1ifu n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ifu s ASN 122 N -0.75 5.79 0.20 1.61 2.20 -1.26 -4.89 114.94 117.84 1ifu s ASN 122 Ca 0.49 1.73 -0.10 0.00 -0.94 0.00 0.00 52.86 54.04 1ifu s ASN 122 Cb 0.36 -2.52 0.22 0.00 -2.00 0.00 0.00 41.25 37.31 1ifu s ASN 122 CO 0.17 -1.16 1.79 1.88 -2.94 0.00 0.00 177.10 176.83 1ifu h TYR 123 N 0.17 0.58 -0.38 1.54 0.05 -1.98 -2.41 116.97 114.54 1ifu h TYR 123 Ca -0.46 0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.42 1ifu h TYR 123 Cb 1.21 -0.17 -0.06 0.00 1.01 0.00 0.00 36.73 38.72 1ifu h TYR 123 CO 0.60 0.26 -0.02 -0.44 -1.05 0.00 0.00 178.16 177.52 1ifu h ASP 124 N 0.59 -0.19 0.30 3.88 3.32 -1.98 0.11 116.42 122.45 1ifu h ASP 124 Ca 0.28 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 1ifu h ASP 124 Cb 0.21 0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1ifu h ASP 124 CO -0.20 -0.06 -0.15 -0.09 -1.72 0.00 0.00 179.24 177.03 1ifu h ARG 125 N 0.08 -0.39 -0.19 3.56 9.65 -1.83 -2.35 114.38 122.92 1ifu h ARG 125 Ca 0.19 0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 59.06 1ifu h ARG 125 Cb 0.27 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.92 1ifu h ARG 125 CO -0.32 -0.26 -0.03 -0.07 2.80 0.00 0.00 179.97 182.08 1ifu h LEU 126 N -0.41 0.26 -0.45 3.80 4.07 -1.10 -0.92 115.31 120.56 1ifu h LEU 126 Ca -0.04 -0.04 -0.18 0.00 0.08 0.00 0.00 57.88 57.71 1ifu h LEU 126 Cb 0.32 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 1ifu h LEU 126 CO 0.06 0.34 -0.72 -0.33 -1.08 0.00 0.00 178.44 176.71 1ifu h GLU 127 N 0.27 0.32 -0.17 1.13 5.08 -0.68 -1.73 114.58 118.81 1ifu h GLU 127 Ca 0.06 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1ifu h GLU 127 Cb 0.24 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1ifu h GLU 127 CO 0.01 0.91 0.02 1.96 -1.00 0.00 0.00 179.01 180.91 1ifu h GLN 128 N 0.22 0.28 0.00 2.33 4.20 -0.81 -0.98 115.11 120.35 1ifu h GLN 128 Ca -0.03 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 1ifu h GLN 128 Cb 1.29 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 1ifu h GLN 128 CO 0.12 0.47 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.41 1ifu h LEU 129 N 0.05 0.00 0.00 1.46 4.07 -1.18 -3.03 115.31 116.69 1ifu h LEU 129 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1ifu h LEU 129 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1ifu h LEU 129 CO 0.01 0.27 -0.85 0.00 -1.08 0.00 0.00 178.44 176.78 1ifu h ALA 130 N 1.73 0.56 -0.26 1.53 0.00 -1.17 -3.33 119.26 118.31 1ifu h ALA 130 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1ifu h ALA 130 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1ifu h ALA 130 CO 0.04 0.00 -0.10 0.41 0.00 0.00 0.00 179.25 179.59 1ifu n GLY 131 N 1.20 0.80 3.28 0.00 0.00 -0.39 -4.89 105.19 105.19 1ifu n GLY 131 Ca 0.01 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 1ifu n GLY 131 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ifu s ASN 132 N -2.85 -0.20 0.46 1.61 0.01 -1.15 -5.06 114.94 107.77 1ifu s ASN 132 Ca 0.00 -0.07 0.01 0.00 -0.71 0.00 0.00 52.86 52.09 1ifu s ASN 132 Cb 0.00 0.38 0.00 0.00 0.41 0.00 0.00 41.25 42.04 1ifu s ASN 132 CO 0.00 -0.61 0.67 -0.76 -1.51 0.00 0.00 177.10 174.90 1ifu s LEU 133 N -1.91 3.60 0.30 0.60 1.43 -1.26 -4.55 118.68 116.90 1ifu s LEU 133 Ca -0.06 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1ifu s LEU 133 Cb -0.01 -3.07 0.59 0.00 0.03 0.00 0.00 46.19 43.73 1ifu s LEU 133 CO -0.02 -0.76 1.87 0.03 0.23 0.00 0.00 176.35 177.70 1ifu h ARG 134 N 0.38 0.93 0.00 1.70 3.08 -1.96 -0.01 114.38 118.49 1ifu h ARG 134 Ca -0.45 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1ifu h ARG 134 Cb 1.26 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1ifu h ARG 134 CO 0.56 0.61 0.00 -0.85 -1.07 0.00 0.00 179.97 179.22 1ifu n GLU 135 N -4.56 0.14 -0.00 0.04 0.00 -1.26 -2.45 120.64 112.54 1ifu n GLU 135 Ca 0.17 0.60 0.04 0.00 0.00 0.00 0.00 57.16 57.97 1ifu n GLU 135 Cb 0.32 -1.91 -0.06 0.00 0.00 0.00 0.00 31.44 29.79 1ifu n GLU 135 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1ifu n ASN 136 N -2.19 1.31 -4.62 -1.84 5.03 -0.04 -4.61 115.26 108.30 1ifu n ASN 136 Ca -0.01 -0.46 -0.40 0.00 0.87 0.00 0.00 54.58 54.59 1ifu n ASN 136 Cb 0.06 1.15 -0.08 0.00 -1.02 0.00 0.00 39.78 39.89 1ifu n ASN 136 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ifu s ILE 137 N -2.13 5.07 0.40 2.41 1.01 -1.02 -4.91 121.20 122.02 1ifu s ILE 137 Ca 0.01 0.87 -0.25 0.00 0.00 0.00 0.00 60.65 61.28 1ifu s ILE 137 Cb 0.06 -3.83 -0.08 0.00 0.01 0.00 0.00 42.46 38.62 1ifu s ILE 137 CO 0.37 0.08 1.18 -1.61 0.00 0.00 0.00 174.94 174.96 1ifu s GLU 138 N 2.32 4.06 0.09 2.79 2.02 -1.26 -4.35 118.70 124.36 1ifu s GLU 138 Ca 0.21 1.86 0.09 0.00 0.02 0.00 0.00 54.97 57.15 1ifu s GLU 138 Cb -0.16 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.35 1ifu s GLU 138 CO 0.09 -0.33 -0.19 -0.51 0.02 0.00 0.00 175.26 174.34 1ifu s LEU 139 N -2.47 2.61 0.00 1.80 1.43 0.63 -4.81 118.68 117.87 1ifu s LEU 139 Ca 0.57 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1ifu s LEU 139 Cb -0.31 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.42 1ifu s LEU 139 CO 0.39 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.79 1ifu n GLY 140 N 1.09 -2.56 0.24 -3.19 0.00 -1.26 -0.72 105.19 98.79 1ifu n GLY 140 Ca -0.16 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 1ifu n GLY 140 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ifu h ASN 141 N 0.00 0.88 -0.20 1.61 -0.00 -1.90 -2.64 115.58 113.34 1ifu h ASN 141 Ca 0.00 -0.47 0.03 0.00 -0.00 0.00 0.00 56.30 55.85 1ifu h ASN 141 Cb 0.00 -0.25 -0.03 0.00 -0.00 0.00 0.00 38.32 38.04 1ifu h ASN 141 CO 0.00 1.25 0.04 1.23 -0.00 0.00 0.00 177.43 179.95 1ifu h GLY 142 N 0.79 0.23 1.38 1.57 0.00 -1.93 0.84 103.07 105.95 1ifu h GLY 142 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1ifu h GLY 142 CO 0.12 0.00 0.24 -2.55 0.00 0.00 0.00 176.54 174.35 1ifu h PRO 143 N 0.13 0.80 -0.37 4.80 0.11 -1.87 -1.97 132.00 133.64 1ifu h PRO 143 Ca 0.09 -0.11 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 1ifu h PRO 143 Cb 0.08 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1ifu h PRO 143 CO -0.12 0.65 -0.23 1.25 -0.21 0.00 0.00 178.00 179.34 1ifu h LEU 144 N 0.79 0.84 -0.58 2.35 5.85 -1.04 -1.19 115.31 122.33 1ifu h LEU 144 Ca 0.19 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.55 1ifu h LEU 144 Cb 0.13 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 1ifu h LEU 144 CO -0.02 1.08 0.29 -0.08 -0.34 0.00 0.00 178.44 179.37 1ifu h GLU 145 N 0.60 0.52 -0.25 1.25 4.57 -0.59 -1.71 114.58 118.97 1ifu h GLU 145 Ca 0.07 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.10 1ifu h GLU 145 Cb 0.79 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1ifu h GLU 145 CO 0.06 0.34 -0.36 0.93 -1.18 0.00 0.00 179.01 178.80 1ifu h GLU 146 N 0.53 0.55 -0.29 1.92 5.08 -1.22 -3.08 114.58 118.07 1ifu h GLU 146 Ca 0.27 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1ifu h GLU 146 Cb 0.21 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1ifu h GLU 146 CO -0.20 0.83 -0.14 0.00 -1.00 0.00 0.00 179.01 178.50 1ifu h ALA 147 N 1.15 1.22 -0.46 3.43 0.00 -0.42 -0.84 119.26 123.33 1ifu h ALA 147 Ca 0.05 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1ifu h ALA 147 Cb 0.85 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1ifu h ALA 147 CO 0.07 0.50 0.05 0.82 0.00 0.00 0.00 179.25 180.69 1ifu h ILE 148 N 0.46 1.22 -0.01 0.00 2.04 -1.25 -0.33 117.51 119.65 1ifu h ILE 148 Ca 0.08 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 1ifu h ILE 148 Cb 0.51 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1ifu h ILE 148 CO 0.03 0.31 -0.06 0.28 0.00 0.00 0.00 178.15 178.72 1ifu h SER 149 N 0.70 0.07 -0.50 1.72 0.02 -1.47 -0.61 113.55 113.48 1ifu h SER 149 Ca 0.15 -0.68 0.06 0.00 -0.84 0.00 0.00 61.79 60.48 1ifu h SER 149 Cb 0.36 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.83 1ifu h SER 149 CO 0.01 0.73 0.20 0.00 -1.14 0.00 0.00 176.83 176.64 1ifu h ALA 150 N 0.34 0.62 -0.71 3.77 0.00 -1.05 0.21 119.26 122.44 1ifu h ALA 150 Ca -0.00 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1ifu h ALA 150 Cb 0.73 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1ifu h ALA 150 CO 0.01 -0.18 0.18 -0.07 0.00 0.00 0.00 179.25 179.19 1ifu h LEU 151 N 0.40 1.06 -0.23 0.00 4.07 -1.09 -2.36 115.31 117.15 1ifu h LEU 151 Ca 0.23 -0.22 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 1ifu h LEU 151 Cb 0.22 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 1ifu h LEU 151 CO -0.21 1.01 0.04 0.22 -1.08 0.00 0.00 178.44 178.42 1ifu h TYR 152 N 1.07 0.41 0.00 1.13 5.03 -0.13 -3.12 116.97 121.36 1ifu h TYR 152 Ca 0.22 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.48 1ifu h TYR 152 Cb 0.36 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.53 1ifu h TYR 152 CO 0.03 0.51 0.00 0.66 -1.32 0.00 0.00 178.16 178.03 1ifu n TYR 153 N -4.71 0.00 -0.16 -3.82 4.01 0.64 -2.73 117.16 110.39 1ifu n TYR 153 Ca -0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.62 1ifu n TYR 153 Cb 0.19 -0.21 0.06 0.00 -0.31 0.00 0.00 39.34 39.07 1ifu n TYR 153 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1ifu h TYR 154 N 0.00 1.06 0.00 -0.72 3.20 -1.35 0.12 116.97 119.28 1ifu h TYR 154 Ca 0.00 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1ifu h TYR 154 Cb 0.18 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.18 1ifu h TYR 154 CO 0.00 0.98 0.00 0.66 -1.64 0.00 0.00 178.16 178.16 1ifu h SER 155 N 0.87 0.00 -0.06 -2.11 4.64 -1.67 -2.30 113.55 112.92 1ifu h SER 155 Ca 0.14 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.44 1ifu h SER 155 Cb 0.61 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1ifu h SER 155 CO 0.04 0.00 -0.33 0.35 -0.87 0.00 0.00 176.83 176.02 1ifu n THR 156 N -2.35 2.20 -0.37 2.95 -2.24 -1.06 -4.96 114.28 108.46 1ifu n THR 156 Ca -0.01 -2.95 0.00 0.00 -2.27 0.00 0.00 64.05 58.82 1ifu n THR 156 Cb 0.07 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1ifu n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ifu n GLY 157 N -1.16 1.10 0.18 3.38 0.00 -0.86 -4.86 105.19 102.96 1ifu n GLY 157 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.27 1ifu n GLY 157 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ifu h GLY 158 N 0.00 0.00 -5.20 -0.02 0.00 -0.98 -3.46 103.07 93.42 1ifu h GLY 158 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 1ifu h GLY 158 CO 0.00 0.00 -0.63 -1.59 0.00 0.00 0.00 176.54 174.32 1ifu s THR 159 N -3.53 4.22 0.41 4.70 2.01 -0.88 -4.90 115.64 117.67 1ifu s THR 159 Ca 0.00 -0.33 -0.14 0.00 0.31 0.00 0.00 61.69 61.53 1ifu s THR 159 Cb 0.11 -2.79 -0.08 0.00 0.01 0.00 0.00 72.50 69.75 1ifu s THR 159 CO 0.70 0.56 0.83 -1.10 -0.69 0.00 0.00 174.62 174.93 1ifu s GLN 160 N -1.00 3.93 0.20 4.92 -1.52 -1.26 -4.78 119.66 120.15 1ifu s GLN 160 Ca 0.14 0.71 -0.14 0.00 -1.95 0.00 0.00 55.36 54.12 1ifu s GLN 160 Cb -0.11 -2.32 0.20 0.00 -0.22 0.00 0.00 33.01 30.56 1ifu s GLN 160 CO 0.04 -0.03 1.63 1.25 -0.25 0.00 0.00 175.29 177.93 1ifu h LEU 161 N 1.53 -0.55 -2.25 2.90 7.12 -1.99 -0.56 115.31 121.50 1ifu h LEU 161 Ca -0.47 0.18 -0.01 0.00 0.13 0.00 0.00 57.88 57.70 1ifu h LEU 161 Cb 1.18 0.37 -0.00 0.00 -0.53 0.00 0.00 40.66 41.68 1ifu h LEU 161 CO 0.63 -0.20 -0.05 -0.65 -0.13 0.00 0.00 178.44 178.05 1ifu h PRO 162 N -0.01 0.00 0.02 5.25 0.11 -1.92 -1.60 132.00 133.85 1ifu h PRO 162 Ca 0.28 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.14 1ifu h PRO 162 Cb 0.43 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 1ifu h PRO 162 CO -0.60 0.05 -1.27 1.15 -0.21 0.00 0.00 178.00 177.12 1ifu h THR 163 N 0.00 1.40 0.01 -1.15 2.02 -1.46 -2.34 112.91 111.39 1ifu h THR 163 Ca -0.00 -3.14 -0.00 0.00 0.77 0.00 0.00 66.41 64.04 1ifu h THR 163 Cb 0.16 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1ifu h THR 163 CO 0.01 0.82 -0.00 0.25 0.37 0.00 0.00 175.52 176.96 1ifu h LEU 164 N 0.01 -0.01 -0.50 2.58 7.12 -0.40 -1.67 115.31 122.45 1ifu h LEU 164 Ca -0.12 -0.21 -0.01 0.00 0.13 0.00 0.00 57.88 57.67 1ifu h LEU 164 Cb 1.88 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.98 1ifu h LEU 164 CO 0.12 0.20 0.27 0.00 -0.13 0.00 0.00 178.44 178.90 1ifu h ALA 165 N 0.77 0.64 -0.72 1.25 0.00 -1.42 -1.75 119.26 118.02 1ifu h ALA 165 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ifu h ALA 165 Cb 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1ifu h ALA 165 CO 0.00 0.16 0.37 -0.09 0.00 0.00 0.00 179.25 179.69 1ifu h ARG 166 N 0.66 1.01 -0.17 0.00 2.43 -1.39 -2.36 114.38 114.57 1ifu h ARG 166 Ca 0.17 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 1ifu h ARG 166 Cb 0.06 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1ifu h ARG 166 CO -0.03 0.77 -0.37 0.77 -1.51 0.00 0.00 179.97 179.60 1ifu h SER 167 N 1.01 0.38 -0.14 -3.80 0.02 -0.70 -2.67 113.55 107.65 1ifu h SER 167 Ca 0.25 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 1ifu h SER 167 Cb 0.07 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 1ifu h SER 167 CO -0.04 0.72 -0.21 -0.26 -1.14 0.00 0.00 176.83 175.90 1ifu h PHE 168 N 0.31 0.49 -0.93 3.45 0.04 -1.13 -2.33 116.94 116.84 1ifu h PHE 168 Ca 0.03 -0.16 0.17 0.00 2.80 0.00 0.00 57.97 60.81 1ifu h PHE 168 Cb 0.80 -0.09 -0.08 0.00 2.20 0.00 0.00 35.95 38.78 1ifu h PHE 168 CO 0.02 0.83 0.59 0.82 -0.60 0.00 0.00 178.31 179.98 1ifu h ILE 169 N 0.00 0.77 0.02 -0.55 2.04 -1.27 0.15 117.51 118.68 1ifu h ILE 169 Ca 0.01 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1ifu h ILE 169 Cb 0.78 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1ifu h ILE 169 CO 0.05 0.12 -0.01 0.40 0.00 0.00 0.00 178.15 178.71 1ifu h ILE 170 N 0.65 1.40 -0.89 -0.67 2.04 -1.44 -2.93 117.51 115.68 1ifu h ILE 170 Ca 0.49 -1.39 0.01 0.00 1.00 0.00 0.00 64.86 64.97 1ifu h ILE 170 Cb 0.87 2.32 -0.04 0.00 -0.74 0.00 0.00 36.82 39.22 1ifu h ILE 170 CO -0.24 0.35 0.59 0.00 0.00 0.00 0.00 178.15 178.85 1ifu h ILE 172 N 1.21 1.27 -0.03 0.00 2.04 -0.79 -2.00 117.51 119.21 1ifu h ILE 172 Ca 0.33 -1.20 -0.18 0.00 1.00 0.00 0.00 64.86 64.80 1ifu h ILE 172 Cb -0.13 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1ifu h ILE 172 CO -0.07 0.43 -0.78 1.56 0.00 0.00 0.00 178.15 179.29 1ifu h GLN 173 N 0.92 0.26 0.00 2.37 4.20 -1.31 -0.71 115.11 120.83 1ifu h GLN 173 Ca 0.15 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1ifu h GLN 173 Cb 0.61 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1ifu h GLN 173 CO 0.04 0.91 -0.18 -1.33 -0.67 0.00 0.00 178.83 177.60 1ifu n MET 174 N -3.76 0.20 0.02 1.46 2.81 -0.73 -2.74 117.12 114.39 1ifu n MET 174 Ca -0.04 0.13 -0.01 0.00 -1.81 0.00 0.00 57.70 55.98 1ifu n MET 174 Cb 0.74 -1.70 -0.00 0.00 -0.71 0.00 0.00 33.22 31.54 1ifu n MET 174 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1ifu n ILE 175 N -2.04 0.75 -0.04 2.02 5.41 -0.76 -4.55 119.36 120.16 1ifu n ILE 175 Ca 0.05 0.25 -0.12 0.00 1.00 0.00 0.00 62.75 63.93 1ifu n ILE 175 Cb 0.41 -1.44 -0.07 0.00 -0.71 0.00 0.00 39.64 37.83 1ifu n ILE 175 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1ifu h SER 176 N -0.09 0.25 0.14 4.38 0.02 -1.43 -2.22 113.55 114.60 1ifu h SER 176 Ca 0.00 -0.40 -0.09 0.00 -0.84 0.00 0.00 61.79 60.46 1ifu h SER 176 Cb 0.09 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1ifu h SER 176 CO 0.00 0.59 -0.32 -0.33 -1.14 0.00 0.00 176.83 175.64 1ifu h GLU 177 N -0.10 0.28 0.00 3.45 4.39 -1.28 -2.08 114.58 119.24 1ifu h GLU 177 Ca 0.03 -0.11 -0.12 0.00 0.34 0.00 0.00 59.36 59.49 1ifu h GLU 177 Cb 0.50 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1ifu h GLU 177 CO 0.02 0.57 -0.59 0.00 -1.16 0.00 0.00 179.01 177.85 1ifu h ALA 178 N 1.43 0.82 -0.00 3.43 0.00 -1.52 -2.22 119.26 121.20 1ifu h ALA 178 Ca 0.03 -0.53 -0.17 0.00 0.00 0.00 0.00 54.91 54.24 1ifu h ALA 178 Cb 0.69 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1ifu h ALA 178 CO 0.05 0.73 -0.79 0.00 0.00 0.00 0.00 179.25 179.24 1ifu h ALA 179 N 1.41 0.68 0.20 0.00 0.00 -1.04 -3.33 119.26 117.18 1ifu h ALA 179 Ca -0.01 -0.71 -0.32 0.00 0.00 0.00 0.00 54.91 53.88 1ifu h ALA 179 Cb 1.20 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.90 1ifu h ALA 179 CO 0.08 0.95 -1.44 0.00 0.00 0.00 0.00 179.25 178.84 1ifu h ARG 180 N 0.03 0.42 -5.16 0.00 3.08 -1.22 -3.40 114.38 108.13 1ifu h ARG 180 Ca -0.02 -0.71 -0.67 0.00 0.07 0.00 0.00 59.98 58.65 1ifu h ARG 180 Cb 1.40 0.26 -0.34 0.00 0.08 0.00 0.00 29.97 31.37 1ifu h ARG 180 CO 0.11 1.33 -0.86 -0.06 -1.07 0.00 0.00 179.97 179.42 1ifu s PHE 181 N -2.62 2.71 0.40 3.04 0.08 -0.85 0.83 117.98 121.58 1ifu s PHE 181 Ca -0.08 -1.40 0.10 0.00 0.12 0.00 0.00 56.93 55.67 1ifu s PHE 181 Cb 0.05 -1.85 0.82 0.00 -0.57 0.00 0.00 43.02 41.47 1ifu s PHE 181 CO 0.91 -0.66 1.94 1.96 -0.10 0.00 0.00 175.22 179.27 1ifu h GLN 182 N 7.50 0.25 -0.06 0.44 4.20 -0.94 -1.47 115.11 125.03 1ifu h GLN 182 Ca -0.36 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.31 1ifu h GLN 182 Cb 1.18 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 1ifu h GLN 182 CO 0.58 0.35 -0.04 -0.92 -0.67 0.00 0.00 178.83 178.13 1ifu h TYR 183 N 0.24 -0.10 -0.30 2.96 3.20 -1.69 -0.57 116.97 120.71 1ifu h TYR 183 Ca 0.05 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.79 1ifu h TYR 183 Cb 0.32 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1ifu h TYR 183 CO 0.01 -0.07 -0.36 0.82 -1.64 0.00 0.00 178.16 176.91 1ifu h ILE 184 N -0.05 1.29 -0.19 1.81 2.04 -1.72 -2.27 117.51 118.42 1ifu h ILE 184 Ca 0.04 -1.52 -0.05 0.00 1.00 0.00 0.00 64.86 64.34 1ifu h ILE 184 Cb 0.11 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1ifu h ILE 184 CO -0.09 0.49 -0.09 -0.08 0.00 0.00 0.00 178.15 178.38 1ifu h GLU 185 N 0.57 0.29 -0.47 2.37 4.81 -1.11 -1.96 114.58 119.08 1ifu h GLU 185 Ca 0.06 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1ifu h GLU 185 Cb 0.88 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1ifu h GLU 185 CO 0.08 0.40 -0.01 0.78 -0.73 0.00 0.00 179.01 179.52 1ifu h GLY 186 N 0.73 0.84 1.71 1.92 0.00 -0.55 -1.69 103.07 106.02 1ifu h GLY 186 Ca 0.06 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 1ifu h GLY 186 CO 0.02 0.52 -0.33 0.83 0.00 0.00 0.00 176.54 177.58 1ifu h GLU 187 N 0.72 0.33 -0.09 4.80 5.08 -0.90 -2.77 114.58 121.75 1ifu h GLU 187 Ca 0.14 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1ifu h GLU 187 Cb 0.46 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1ifu h GLU 187 CO 0.02 0.63 -0.24 0.52 -1.00 0.00 0.00 179.01 178.94 1ifu h MET 188 N 0.29 0.31 -0.79 2.33 2.86 -1.11 -2.66 114.93 116.15 1ifu h MET 188 Ca 0.04 -0.22 0.15 0.00 -2.06 0.00 0.00 59.70 57.60 1ifu h MET 188 Cb 0.73 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.37 1ifu h MET 188 CO 0.06 0.84 0.52 0.00 1.06 0.00 0.00 176.91 179.38 1ifu h ARG 189 N -0.16 0.47 -0.22 1.72 3.08 -1.24 -0.15 114.38 117.89 1ifu h ARG 189 Ca -0.01 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 1ifu h ARG 189 Cb 0.85 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1ifu h ARG 189 CO 0.05 0.31 -0.43 1.15 -1.07 0.00 0.00 179.97 179.98 1ifu h THR 190 N 0.49 1.32 -0.44 2.04 2.02 -1.46 -1.07 112.91 115.80 1ifu h THR 190 Ca 0.39 -1.65 0.01 0.00 0.77 0.00 0.00 66.41 65.93 1ifu h THR 190 Cb 0.81 1.82 -0.03 0.00 -1.74 0.00 0.00 68.15 69.02 1ifu h THR 190 CO -0.14 0.52 0.28 0.03 0.37 0.00 0.00 175.52 176.58 1ifu h ARG 191 N 0.38 0.55 -0.26 6.66 3.08 -0.73 -2.43 114.38 121.64 1ifu h ARG 191 Ca 0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1ifu h ARG 191 Cb 1.03 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1ifu h ARG 191 CO 0.10 0.36 0.12 0.82 -1.07 0.00 0.00 179.97 180.30 1ifu h ILE 192 N 0.57 1.15 -0.64 2.04 2.04 -1.14 0.13 117.51 121.65 1ifu h ILE 192 Ca 0.17 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.67 1ifu h ILE 192 Cb -0.03 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 1ifu h ILE 192 CO -0.06 0.15 0.33 -0.09 0.00 0.00 0.00 178.15 178.48 1ifu h ARG 193 N 0.29 0.59 -0.41 2.37 2.43 -0.95 -2.52 114.38 116.18 1ifu h ARG 193 Ca 0.09 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1ifu h ARG 193 Cb 0.12 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1ifu h ARG 193 CO -0.01 0.39 0.00 0.66 -1.51 0.00 0.00 179.97 179.50 1ifu n TYR 194 N -4.84 0.53 -3.02 2.20 4.01 -0.93 -4.94 117.16 110.17 1ifu n TYR 194 Ca 0.08 -0.26 -0.22 0.00 -0.16 0.00 0.00 57.90 57.34 1ifu n TYR 194 Cb 0.19 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.24 1ifu n TYR 194 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1ifu n ASN 195 N 1.35 -5.17 -4.91 7.72 5.15 0.24 -4.96 115.26 114.67 1ifu n ASN 195 Ca 0.19 -0.25 -0.28 0.00 -0.60 0.00 0.00 54.58 53.65 1ifu n ASN 195 Cb 0.57 -4.23 0.07 0.00 -0.53 0.00 0.00 39.78 35.66 1ifu n ASN 195 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1ifu s ARG 196 N -5.68 2.25 -0.22 1.20 3.00 -0.01 -5.01 118.95 114.48 1ifu s ARG 196 Ca 0.28 0.01 -0.04 0.00 0.00 0.00 0.00 55.73 55.99 1ifu s ARG 196 Cb -0.13 -2.07 0.11 0.00 0.00 0.00 0.00 34.95 32.86 1ifu s ARG 196 CO 0.34 -1.31 0.33 0.50 0.00 0.00 0.00 175.30 175.16 1ifu s ARG 197 N -5.38 0.29 0.03 3.54 3.52 -1.26 -4.52 118.95 115.17 1ifu s ARG 197 Ca 0.60 0.51 -0.16 0.00 -0.13 0.00 0.00 55.73 56.55 1ifu s ARG 197 Cb -0.11 -0.56 0.03 0.00 -1.56 0.00 0.00 34.95 32.75 1ifu s ARG 197 CO 0.47 -0.58 0.36 -1.54 -0.81 0.00 0.00 175.30 173.20 1ifu s SER 198 N 2.49 -0.22 0.56 -2.12 1.04 0.11 -4.81 113.70 110.73 1ifu s SER 198 Ca 0.09 -0.02 -0.18 0.00 0.48 0.00 0.00 55.95 56.32 1ifu s SER 198 Cb -0.15 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 1ifu s SER 198 CO -0.14 -0.59 1.09 0.00 0.98 0.00 0.00 173.24 174.58 1ifu s ALA 199 N -2.18 2.71 0.35 5.32 0.00 -1.26 -0.27 121.76 126.43 1ifu s ALA 199 Ca -0.07 0.65 -0.27 0.00 0.00 0.00 0.00 51.96 52.26 1ifu s ALA 199 Cb -0.02 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 1ifu s ALA 199 CO -0.01 -0.74 1.14 -1.25 0.00 0.00 0.00 175.76 174.90 1ifu s PRO 200 N -3.54 4.31 0.92 0.00 0.04 -1.26 -4.88 135.00 130.58 1ifu s PRO 200 Ca 0.69 1.81 -0.13 0.00 0.04 0.00 0.00 61.00 63.41 1ifu s PRO 200 Cb -0.20 -2.88 0.19 0.00 0.04 0.00 0.00 34.50 31.66 1ifu s PRO 200 CO 0.29 -0.09 1.26 0.16 0.04 0.00 0.00 177.00 178.67 1ifu s ASP 201 N -1.05 3.31 0.47 6.66 1.47 -1.26 -4.65 116.67 121.62 1ifu s ASP 201 Ca 0.52 0.11 0.16 0.00 1.18 0.00 0.00 52.55 54.51 1ifu s ASP 201 Cb -0.31 -0.20 1.12 0.00 -0.34 0.00 0.00 42.92 43.20 1ifu s ASP 201 CO 0.39 -2.59 2.03 -0.65 0.68 0.00 0.00 175.17 175.03 1ifu h PRO 202 N -1.44 0.27 -0.17 2.11 0.11 -1.83 -2.78 132.00 128.27 1ifu h PRO 202 Ca -0.43 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1ifu h PRO 202 Cb 1.24 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1ifu h PRO 202 CO 0.37 0.18 0.07 0.66 -0.21 0.00 0.00 178.00 179.07 1ifu h SER 203 N 0.27 0.24 0.10 -2.05 4.64 -1.69 -0.21 113.55 114.85 1ifu h SER 203 Ca 0.20 -0.17 0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1ifu h SER 203 Cb 0.45 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1ifu h SER 203 CO -0.04 0.34 -0.13 0.58 -0.87 0.00 0.00 176.83 176.70 1ifu h VAL 204 N 0.12 0.69 -0.74 0.95 2.07 -1.83 -2.08 116.25 115.44 1ifu h VAL 204 Ca 0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1ifu h VAL 204 Cb 0.18 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1ifu h VAL 204 CO -0.00 0.00 0.45 0.40 0.02 0.00 0.00 177.57 178.44 1ifu h ILE 205 N -0.28 1.21 -0.48 4.57 2.04 -1.40 -1.42 117.51 121.75 1ifu h ILE 205 Ca 0.02 -0.46 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 1ifu h ILE 205 Cb 0.28 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1ifu h ILE 205 CO -0.06 0.22 0.10 0.74 0.00 0.00 0.00 178.15 179.14 1ifu h THR 206 N 1.01 1.24 -0.90 -0.27 2.02 -0.93 -0.49 112.91 114.60 1ifu h THR 206 Ca 0.27 -0.88 0.03 0.00 0.77 0.00 0.00 66.41 66.60 1ifu h THR 206 Cb -0.04 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 1ifu h THR 206 CO -0.05 0.31 0.59 -0.07 0.37 0.00 0.00 175.52 176.67 1ifu h LEU 207 N 0.66 0.99 -0.50 2.58 3.38 -1.05 0.12 115.31 121.49 1ifu h LEU 207 Ca 0.15 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1ifu h LEU 207 Cb 0.36 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1ifu h LEU 207 CO 0.01 0.69 0.25 -0.33 0.09 0.00 0.00 178.44 179.15 1ifu h GLU 208 N 1.15 0.71 -0.13 1.13 5.08 -0.89 -2.15 114.58 119.49 1ifu h GLU 208 Ca 0.35 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.53 1ifu h GLU 208 Cb -0.03 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1ifu h GLU 208 CO -0.11 0.58 -0.31 -0.91 -1.00 0.00 0.00 179.01 177.27 1ifu h ASN 209 N 0.67 0.24 -0.02 1.42 2.35 -0.26 -3.27 115.58 116.71 1ifu h ASN 209 Ca 0.17 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1ifu h ASN 209 Cb 0.09 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1ifu h ASN 209 CO -0.02 0.55 -0.01 -1.20 -1.65 0.00 0.00 177.43 175.10 1ifu n SER 210 N -4.11 2.14 -0.29 5.81 7.64 0.33 -4.63 113.62 120.50 1ifu n SER 210 Ca -0.01 -1.70 0.11 0.00 1.01 0.00 0.00 58.87 58.28 1ifu n SER 210 Cb 0.40 0.01 0.27 0.00 -1.01 0.00 0.00 64.21 63.88 1ifu n SER 210 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1ifu h TRP 211 N 3.34 0.51 -0.08 1.43 7.01 -1.46 -0.34 115.95 126.37 1ifu h TRP 211 Ca 0.00 0.04 -0.18 0.00 2.11 0.00 0.00 58.89 60.86 1ifu h TRP 211 Cb 0.72 -0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 27.68 1ifu h TRP 211 CO 0.00 -0.08 -0.72 0.78 -2.79 0.00 0.00 178.44 175.63 1ifu h GLY 212 N 0.34 0.45 0.89 2.65 0.00 -1.88 -1.71 103.07 103.82 1ifu h GLY 212 Ca 0.52 -0.64 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 1ifu h GLY 212 CO -0.54 0.57 -0.34 -0.09 0.00 0.00 0.00 176.54 176.14 1ifu h ARG 213 N 0.28 0.56 -0.84 4.80 1.12 -1.66 -2.38 114.38 116.27 1ifu h ARG 213 Ca -0.03 -0.35 -0.04 0.00 -1.11 0.00 0.00 59.98 58.45 1ifu h ARG 213 Cb 1.30 0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 31.26 1ifu h ARG 213 CO 0.12 0.96 0.38 -0.07 -3.11 0.00 0.00 179.97 178.26 1ifu h LEU 214 N 0.23 1.12 -1.38 3.80 3.38 -1.14 0.13 115.31 121.45 1ifu h LEU 214 Ca 0.01 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1ifu h LEU 214 Cb 0.93 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1ifu h LEU 214 CO 0.08 0.96 -0.23 0.28 0.09 0.00 0.00 178.44 179.61 1ifu h SER 215 N 1.21 0.11 0.14 -0.43 0.02 -1.25 -1.64 113.55 111.69 1ifu h SER 215 Ca 0.29 -0.03 -0.21 0.00 -0.84 0.00 0.00 61.79 61.00 1ifu h SER 215 Cb 0.15 -0.03 0.02 0.00 0.14 0.00 0.00 62.40 62.68 1ifu h SER 215 CO -0.03 0.35 -0.96 0.74 -1.14 0.00 0.00 176.83 175.79 1ifu h THR 216 N 0.11 1.40 -0.72 -2.27 2.02 -0.85 -2.93 112.91 109.66 1ifu h THR 216 Ca 0.02 -2.51 0.04 0.00 0.77 0.00 0.00 66.41 64.73 1ifu h THR 216 Cb 0.48 3.09 -0.05 0.00 -1.74 0.00 0.00 68.15 69.92 1ifu h THR 216 CO 0.03 0.71 0.44 0.00 0.37 0.00 0.00 175.52 177.07 1ifu h ALA 217 N 0.05 0.95 -0.14 6.16 0.00 -0.67 -0.12 119.26 125.48 1ifu h ALA 217 Ca -0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1ifu h ALA 217 Cb 1.67 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1ifu h ALA 217 CO 0.13 0.19 -0.02 0.82 0.00 0.00 0.00 179.25 180.36 1ifu h ILE 218 N 0.83 1.28 0.00 0.00 2.04 -1.43 -2.10 117.51 118.14 1ifu h ILE 218 Ca 0.30 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1ifu h ILE 218 Cb 0.08 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1ifu h ILE 218 CO -0.14 0.27 0.00 1.56 0.00 0.00 0.00 178.15 179.85 1ifu h GLN 219 N -0.02 0.00 -0.00 2.37 4.20 -1.25 -2.76 115.11 117.65 1ifu h GLN 219 Ca 0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1ifu h GLN 219 Cb 0.43 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1ifu h GLN 219 CO 0.01 0.00 -0.22 0.39 -0.67 0.00 0.00 178.83 178.34 1ifu n GLU 220 N -2.70 1.42 -2.11 1.46 1.02 -0.10 -4.93 120.64 114.71 1ifu n GLU 220 Ca 0.01 -2.91 -0.31 0.00 -0.02 0.00 0.00 57.16 53.93 1ifu n GLU 220 Cb 0.23 -1.56 -0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1ifu n GLU 220 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1ifu s SER 221 N -3.04 6.34 -0.60 1.62 1.04 -0.80 -4.84 113.70 113.42 1ifu s SER 221 Ca 0.35 1.39 -0.20 0.00 0.48 0.00 0.00 55.95 57.97 1ifu s SER 221 Cb 0.32 -2.45 0.10 0.00 0.10 0.00 0.00 66.02 64.09 1ifu s SER 221 CO -0.01 -0.76 0.76 0.20 0.98 0.00 0.00 173.24 174.41 1ifu s ASN 222 N -3.87 6.18 -1.81 7.02 -0.87 0.54 -4.27 114.94 117.86 1ifu s ASN 222 Ca 0.55 -1.33 0.00 0.00 -1.57 0.00 0.00 52.86 50.51 1ifu s ASN 222 Cb -0.11 -2.33 0.00 0.00 -0.02 0.00 0.00 41.25 38.80 1ifu s ASN 222 CO 0.47 -1.18 0.00 0.00 -2.57 0.00 0.00 177.10 173.82 1ifu n GLN 223 N 6.62 -1.60 0.00 -0.60 6.02 -1.26 -0.78 117.38 125.79 1ifu n GLN 223 Ca -0.08 1.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.92 1ifu n GLN 223 Cb 0.43 -5.50 0.00 0.00 1.02 0.00 0.00 30.24 26.19 1ifu n GLN 223 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ifu n GLY 224 N -0.63 0.34 3.75 1.08 0.00 -1.26 -5.04 105.19 103.43 1ifu n GLY 224 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1ifu n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ifu s ALA 225 N -2.00 3.58 0.13 4.61 0.00 0.04 -2.14 121.76 125.97 1ifu s ALA 225 Ca 0.00 -0.32 -0.26 0.00 0.00 0.00 0.00 51.96 51.38 1ifu s ALA 225 Cb 0.00 -2.47 -0.07 0.00 0.00 0.00 0.00 23.12 20.58 1ifu s ALA 225 CO 0.00 0.14 0.81 -0.06 0.00 0.00 0.00 175.76 176.65 1ifu s PHE 226 N 0.21 3.85 0.34 0.00 0.08 -0.48 -0.34 117.98 121.64 1ifu s PHE 226 Ca 0.21 1.62 0.04 0.00 0.12 0.00 0.00 56.93 58.92 1ifu s PHE 226 Cb -0.14 -2.83 0.61 0.00 -0.57 0.00 0.00 43.02 40.08 1ifu s PHE 226 CO 0.08 0.40 1.89 0.00 -0.10 0.00 0.00 175.22 177.48 1ifu h ALA 227 N 4.89 1.39 -3.50 5.36 0.00 -1.89 -3.42 119.26 122.09 1ifu h ALA 227 Ca -0.45 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.02 1ifu h ALA 227 Cb 1.21 -0.16 -0.31 0.00 0.00 0.00 0.00 17.79 18.53 1ifu h ALA 227 CO 0.68 0.43 -0.67 -1.54 0.00 0.00 0.00 179.25 178.16 1ifu s SER 228 N -6.72 -0.03 0.68 0.00 1.04 -1.26 -5.16 113.70 102.25 1ifu s SER 228 Ca -0.08 0.13 -0.16 0.00 0.48 0.00 0.00 55.95 56.32 1ifu s SER 228 Cb 0.16 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1ifu s SER 228 CO 0.76 -0.08 1.17 -2.16 0.98 0.00 0.00 173.24 173.91 1ifu s PRO 229 N 0.63 2.53 -0.17 4.02 0.04 -1.26 -4.98 135.00 135.80 1ifu s PRO 229 Ca -0.05 1.63 -0.03 0.00 0.04 0.00 0.00 61.00 62.59 1ifu s PRO 229 Cb -0.07 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1ifu s PRO 229 CO -0.02 -1.51 -0.04 0.42 0.04 0.00 0.00 177.00 175.88 1ifu s ILE 230 N -2.05 3.70 -0.17 0.56 1.01 -0.50 -4.91 121.20 118.84 1ifu s ILE 230 Ca 0.72 -0.41 -0.18 0.00 0.00 0.00 0.00 60.65 60.78 1ifu s ILE 230 Cb -0.26 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 1ifu s ILE 230 CO 0.41 0.47 0.47 -1.58 0.00 0.00 0.00 174.94 174.72 1ifu s GLN 231 N 0.68 4.24 0.23 2.79 0.74 -1.26 -0.33 119.66 126.75 1ifu s GLN 231 Ca -0.02 0.37 0.00 0.00 0.05 0.00 0.00 55.36 55.76 1ifu s GLN 231 Cb -0.15 -3.51 0.00 0.00 1.10 0.00 0.00 33.01 30.45 1ifu s GLN 231 CO 0.02 -0.01 0.01 1.28 -0.55 0.00 0.00 175.29 176.04 1ifu n LEU 232 N 4.32 0.00 -4.19 3.68 4.77 0.70 -4.91 117.00 121.37 1ifu n LEU 232 Ca -0.06 -1.44 -0.21 0.00 -0.03 0.00 0.00 56.01 54.27 1ifu n LEU 232 Cb 0.51 0.15 -0.13 0.00 -2.33 0.00 0.00 43.42 41.63 1ifu n LEU 232 CO 0.42 -0.21 -0.48 -1.10 -1.33 0.00 0.00 177.39 174.69 1ifu s GLN 233 N -2.84 0.98 0.53 3.23 -0.21 -1.26 -0.50 119.66 119.59 1ifu s GLN 233 Ca 0.01 -0.93 -0.03 0.00 0.02 0.00 0.00 55.36 54.42 1ifu s GLN 233 Cb -0.00 -1.05 0.00 0.00 1.00 0.00 0.00 33.01 32.97 1ifu s GLN 233 CO 0.00 0.25 0.81 1.03 -2.12 0.00 0.00 175.29 175.26 1ifu s ARG 234 N -1.51 2.98 0.53 2.91 0.52 0.13 -3.96 118.95 120.56 1ifu s ARG 234 Ca 0.02 -0.20 0.32 0.00 -0.52 0.00 0.00 55.73 55.35 1ifu s ARG 234 Cb -0.09 -2.39 1.48 0.00 0.52 0.00 0.00 34.95 34.47 1ifu s ARG 234 CO 0.02 -0.52 1.87 0.00 0.02 0.00 0.00 175.30 176.69 1ifu h ARG 235 N 0.06 0.02 -0.66 3.54 3.08 -1.93 0.26 114.38 118.74 1ifu h ARG 235 Ca -0.46 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1ifu h ARG 235 Cb 1.25 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1ifu h ARG 235 CO 0.59 0.01 0.00 0.27 -1.07 0.00 0.00 179.97 179.78 1ifu n ASN 236 N -4.27 2.53 0.00 7.04 6.94 -1.26 -4.39 115.26 121.85 1ifu n ASN 236 Ca 0.20 -2.26 0.00 0.00 -0.02 0.00 0.00 54.58 52.50 1ifu n ASN 236 Cb 1.00 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.97 1ifu n ASN 236 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ifu n GLY 237 N 0.50 2.28 3.75 4.83 0.00 0.90 -5.01 105.19 112.43 1ifu n GLY 237 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1ifu n GLY 237 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ifu s SER 238 N -3.61 7.60 0.62 1.61 1.04 -1.26 -4.67 113.70 115.03 1ifu s SER 238 Ca 0.00 1.89 -0.18 0.00 0.48 0.00 0.00 55.95 58.14 1ifu s SER 238 Cb 0.00 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.50 1ifu s SER 238 CO 0.00 0.12 1.25 -0.54 0.98 0.00 0.00 173.24 175.05 1ifu s LYS 239 N -0.94 2.76 -0.25 4.02 -0.14 -1.26 0.20 119.74 124.13 1ifu s LYS 239 Ca 0.42 1.95 -0.06 0.00 -1.36 0.00 0.00 55.97 56.92 1ifu s LYS 239 Cb -0.25 -1.89 0.12 0.00 -1.68 0.00 0.00 37.83 34.14 1ifu s LYS 239 CO 0.31 -1.41 0.50 0.12 -0.76 0.00 0.00 175.35 174.12 1ifu s PHE 240 N -1.49 -1.08 0.22 3.18 2.19 0.35 -4.83 117.98 116.52 1ifu s PHE 240 Ca 0.80 1.66 -0.29 0.00 0.33 0.00 0.00 56.93 59.43 1ifu s PHE 240 Cb -0.34 0.43 -0.09 0.00 -1.31 0.00 0.00 43.02 41.72 1ifu s PHE 240 CO 0.36 -0.64 0.91 -1.12 1.83 0.00 0.00 175.22 176.57 1ifu s SER 241 N 2.72 7.60 -0.17 6.13 0.01 -1.26 -0.21 113.70 128.51 1ifu s SER 241 Ca 0.03 1.89 -0.03 0.00 1.31 0.00 0.00 55.95 59.15 1ifu s SER 241 Cb -0.13 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 1ifu s SER 241 CO -0.16 0.16 -0.06 -0.69 0.41 0.00 0.00 173.24 172.90 1ifu s VAL 242 N -1.14 3.46 -0.02 3.43 1.01 0.55 -4.96 120.40 122.74 1ifu s VAL 242 Ca 0.40 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1ifu s VAL 242 Cb -0.25 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 1ifu s VAL 242 CO 0.31 0.47 0.04 -1.22 0.00 0.00 0.00 175.10 174.70 1ifu n TYR 243 N 4.01 0.00 -4.01 5.22 4.01 -1.26 -1.41 117.16 123.72 1ifu n TYR 243 Ca -0.18 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.46 1ifu n TYR 243 Cb 0.52 -0.02 -0.11 0.00 -0.31 0.00 0.00 39.34 39.42 1ifu n TYR 243 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ifu s ASP 244 N -1.88 0.45 0.10 7.72 2.15 -1.26 -1.38 116.67 122.57 1ifu s ASP 244 Ca -0.00 -0.56 0.18 0.00 0.43 0.00 0.00 52.55 52.60 1ifu s ASP 244 Cb 0.01 0.09 0.76 0.00 -0.30 0.00 0.00 42.92 43.48 1ifu s ASP 244 CO 0.06 -0.30 1.56 0.55 -0.17 0.00 0.00 175.17 176.87 1ifu n VAL 245 N 1.43 0.93 -0.02 1.11 3.14 -0.91 -3.51 118.33 120.50 1ifu n VAL 245 Ca -0.23 0.24 -0.11 0.00 -2.96 0.00 0.00 64.34 61.28 1ifu n VAL 245 Cb 0.55 -1.05 -0.05 0.00 -1.06 0.00 0.00 33.84 32.23 1ifu n VAL 245 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1ifu h SER 246 N 0.00 0.14 0.48 6.55 4.64 -1.96 -2.11 113.55 121.30 1ifu h SER 246 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1ifu h SER 246 Cb 0.30 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1ifu h SER 246 CO 0.00 0.18 0.00 0.16 -0.87 0.00 0.00 176.83 176.30 1ifu h ILE 247 N 0.10 0.00 0.00 0.95 3.07 -2.00 -2.63 117.51 117.00 1ifu h ILE 247 Ca 0.04 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 66.24 1ifu h ILE 247 Cb 0.07 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 37.68 1ifu h ILE 247 CO -0.01 0.00 -0.92 0.18 -1.05 0.00 0.00 178.15 176.35 1ifu n LEU 248 N -2.76 0.66 -0.31 0.16 4.77 -0.83 -4.37 117.00 114.31 1ifu n LEU 248 Ca -0.01 0.13 0.12 0.00 -0.03 0.00 0.00 56.01 56.22 1ifu n LEU 248 Cb 0.17 -0.12 0.29 0.00 -2.33 0.00 0.00 43.42 41.44 1ifu n LEU 248 CO 0.20 -0.03 1.10 0.40 -1.33 0.00 0.00 177.39 177.73 1ifu h ILE 249 N 0.00 0.60 -0.21 -0.08 2.04 -1.06 0.28 117.51 119.07 1ifu h ILE 249 Ca 0.00 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1ifu h ILE 249 Cb 0.79 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1ifu h ILE 249 CO 0.00 0.10 0.00 -0.81 0.00 0.00 0.00 178.15 177.44 1ifu n PRO 250 N -4.93 1.72 -0.07 2.37 -0.04 -1.26 -4.27 135.00 128.51 1ifu n PRO 250 Ca 0.21 -1.09 -0.13 0.00 -0.04 0.00 0.00 63.50 62.45 1ifu n PRO 250 Cb 0.59 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.64 1ifu n PRO 250 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1ifu n ILE 251 N 0.33 0.83 -3.94 0.52 5.41 0.86 -4.42 119.36 118.95 1ifu n ILE 251 Ca 0.15 -0.27 -0.35 0.00 1.00 0.00 0.00 62.75 63.28 1ifu n ILE 251 Cb 0.30 -1.34 -0.09 0.00 -0.71 0.00 0.00 39.64 37.80 1ifu n ILE 251 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1ifu s ILE 252 N -2.28 4.95 -0.16 1.39 2.07 -0.49 -0.37 121.20 126.30 1ifu s ILE 252 Ca -0.20 0.02 0.13 0.00 -1.41 0.00 0.00 60.65 59.19 1ifu s ILE 252 Cb 0.07 -3.24 -0.23 0.00 0.13 0.00 0.00 42.46 39.18 1ifu s ILE 252 CO 0.30 0.46 0.20 0.00 -1.91 0.00 0.00 174.94 173.99 1ifu n ALA 253 N 3.48 1.45 -2.95 1.50 0.00 0.24 -4.74 120.51 119.49 1ifu n ALA 253 Ca -0.16 -1.11 -0.10 0.00 0.00 0.00 0.00 53.44 52.06 1ifu n ALA 253 Cb 0.52 -0.38 -0.10 0.00 0.00 0.00 0.00 19.45 19.50 1ifu n ALA 253 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ifu s LEU 254 N -5.90 1.70 0.05 0.00 1.43 -0.82 -4.11 118.68 111.03 1ifu s LEU 254 Ca -0.13 -0.36 0.07 0.00 -1.03 0.00 0.00 54.13 52.67 1ifu s LEU 254 Cb 0.07 0.60 -0.02 0.00 0.03 0.00 0.00 46.19 46.87 1ifu s LEU 254 CO 0.79 -0.42 -0.19 -0.04 0.23 0.00 0.00 176.35 176.72 1ifu s MET 255 N -1.88 1.22 0.30 1.70 -1.94 -0.49 -4.87 119.30 113.34 1ifu s MET 255 Ca -0.11 -0.90 -0.28 0.00 -1.71 0.00 0.00 55.69 52.69 1ifu s MET 255 Cb -0.05 -1.32 -0.09 0.00 2.01 0.00 0.00 34.83 35.38 1ifu s MET 255 CO -0.01 0.33 1.00 0.54 -0.01 0.00 0.00 175.02 176.87 1ifu s VAL 256 N -0.85 3.92 -0.19 -6.03 0.11 -1.26 0.11 120.40 116.22 1ifu s VAL 256 Ca 0.05 1.75 -0.29 0.00 -2.93 0.00 0.00 61.98 60.57 1ifu s VAL 256 Cb -0.09 -4.05 -0.04 0.00 -1.53 0.00 0.00 36.38 30.67 1ifu s VAL 256 CO 0.02 0.29 1.87 -0.47 -3.33 0.00 0.00 175.10 173.47 1ifu s TYR 257 N -1.38 1.66 -0.19 1.54 6.14 -1.26 -4.78 117.35 119.08 1ifu s TYR 257 Ca 0.47 0.36 0.02 0.00 0.64 0.00 0.00 57.07 58.56 1ifu s TYR 257 Cb -0.25 -4.04 -0.13 0.00 0.42 0.00 0.00 41.96 37.97 1ifu s TYR 257 CO 0.31 -3.75 -0.16 0.54 0.64 0.00 0.00 175.55 173.14 1ifu n ARG 258 N 8.04 0.53 -3.57 4.97 5.12 -1.26 -4.96 116.66 125.52 1ifu n ARG 258 Ca 0.22 0.10 -0.10 0.00 -1.93 0.00 0.00 57.85 56.15 1ifu n ARG 258 Cb 0.45 -1.38 -0.02 0.00 -1.16 0.00 0.00 32.46 30.34 1ifu n ARG 258 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ifu s ALA 260 N -3.79 2.79 0.27 0.00 0.00 -1.26 -5.00 121.76 114.77 1ifu s ALA 260 Ca 0.04 0.87 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 1ifu s ALA 260 Cb -0.03 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 1ifu s ALA 260 CO -0.06 -0.74 0.98 -1.25 0.00 0.00 0.00 175.76 174.68 1ifu s PRO 261 N -3.07 4.74 0.89 0.00 0.04 -1.26 -5.03 135.00 131.29 1ifu s PRO 261 Ca 0.70 1.52 -0.12 0.00 0.04 0.00 0.00 61.00 63.14 1ifu s PRO 261 Cb -0.26 -3.14 0.12 0.00 0.04 0.00 0.00 34.50 31.26 1ifu s PRO 261 CO 0.30 0.39 1.10 -1.25 0.04 0.00 0.00 177.00 177.57 1ifu s PRO 262 N -1.45 1.34 0.00 0.56 0.04 -1.26 -5.27 135.00 128.96 1ifu s PRO 262 Ca 0.44 0.68 0.06 0.00 0.04 0.00 0.00 61.00 62.23 1ifu s PRO 262 Cb -0.26 -1.83 0.38 0.00 0.04 0.00 0.00 34.50 32.83 1ifu s PRO 262 CO 0.32 -2.15 0.84 -2.30 0.04 0.00 0.00 177.00 173.75