#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1igb s PRO 2 N 0.00 2.55 0.94 0.03 0.02 -1.26 -5.04 135.00 132.25 1igb s PRO 2 Ca 0.00 1.56 -0.11 0.00 0.02 0.00 0.00 61.00 62.47 1igb s PRO 2 Cb 0.00 -1.90 0.16 0.00 0.02 0.00 0.00 34.50 32.78 1igb s PRO 2 CO 0.00 -1.47 1.11 -1.25 -0.33 0.00 0.00 177.00 175.06 1igb s PRO 3 N -3.97 0.80 -0.37 5.54 0.04 -1.26 -4.98 135.00 130.81 1igb s PRO 3 Ca 0.70 1.31 -0.23 0.00 0.04 0.00 0.00 61.00 62.83 1igb s PRO 3 Cb -0.24 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.59 1igb s PRO 3 CO 0.42 -2.70 0.75 0.42 0.04 0.00 0.00 177.00 175.93 1igb s ILE 4 N -2.67 4.76 0.00 0.56 1.01 -1.26 -4.91 121.20 118.69 1igb s ILE 4 Ca 0.66 0.76 0.00 0.00 0.00 0.00 0.00 60.65 62.07 1igb s ILE 4 Cb -0.22 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.06 1igb s ILE 4 CO 0.59 -0.44 0.05 0.35 0.00 0.00 0.00 174.94 175.50 1igb n THR 5 N 5.78 0.00 -0.90 2.92 -2.24 -1.26 -4.89 114.28 113.69 1igb n THR 5 Ca 0.02 -0.28 -0.19 0.00 -2.27 0.00 0.00 64.05 61.33 1igb n THR 5 Cb 0.48 1.09 0.17 0.00 -2.10 0.00 0.00 70.33 69.97 1igb n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1igb n GLN 6 N -0.45 2.25 -0.17 -0.78 1.13 -1.26 -4.80 117.38 113.30 1igb n GLN 6 Ca 0.00 -2.60 0.18 0.00 -1.94 0.00 0.00 57.00 52.64 1igb n GLN 6 Cb 0.02 -2.03 0.54 0.00 0.11 0.00 0.00 30.24 28.89 1igb n GLN 6 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1igb h GLN 7 N 1.05 0.33 -0.38 -1.09 7.50 -1.98 -0.05 115.11 120.49 1igb h GLN 7 Ca 0.51 -0.02 -0.14 0.00 0.50 0.00 0.00 58.65 59.50 1igb h GLN 7 Cb 2.56 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 30.01 1igb h GLN 7 CO 0.92 0.22 -0.32 0.00 -1.50 0.00 0.00 178.83 178.15 1igb h ALA 8 N 1.64 0.55 0.03 3.87 0.00 -1.99 -1.96 119.26 121.41 1igb h ALA 8 Ca 0.38 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1igb h ALA 8 Cb 1.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1igb h ALA 8 CO -0.11 0.61 -0.01 1.15 0.00 0.00 0.00 179.25 180.88 1igb h THR 9 N 0.70 1.42 -0.09 0.00 2.02 -1.82 -3.12 112.91 112.03 1igb h THR 9 Ca 0.07 -1.68 0.03 0.00 0.77 0.00 0.00 66.41 65.60 1igb h THR 9 Cb 0.90 2.51 -0.03 0.00 -1.74 0.00 0.00 68.15 69.79 1igb h THR 9 CO 0.08 0.41 -0.11 0.58 0.37 0.00 0.00 175.52 176.85 1igb h VAL 10 N -0.80 0.70 0.00 3.16 2.07 -1.05 -1.79 116.25 118.53 1igb h VAL 10 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1igb h VAL 10 Cb 0.71 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1igb h VAL 10 CO 0.01 0.00 -0.15 0.71 0.02 0.00 0.00 177.57 178.15 1igb h THR 11 N -0.15 0.46 0.04 2.57 1.35 -1.52 0.20 112.91 115.86 1igb h THR 11 Ca 0.07 -0.80 -0.23 0.00 -0.55 0.00 0.00 66.41 64.90 1igb h THR 11 Cb 0.25 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 1igb h THR 11 CO -0.18 0.15 -1.01 0.00 -0.25 0.00 0.00 175.52 174.24 1igb h ALA 12 N 1.85 0.35 0.00 6.62 0.00 -1.42 -3.38 119.26 123.29 1igb h ALA 12 Ca -0.00 -0.79 -0.33 0.00 0.00 0.00 0.00 54.91 53.79 1igb h ALA 12 Cb 0.55 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1igb h ALA 12 CO 0.02 0.95 -2.01 0.91 0.00 0.00 0.00 179.25 179.12 1igb n TRP 13 N -3.61 0.59 -0.33 0.00 7.02 -0.70 -4.40 117.44 116.01 1igb n TRP 13 Ca -0.05 0.21 0.08 0.00 -1.02 0.00 0.00 57.50 56.71 1igb n TRP 13 Cb 0.89 -1.11 0.27 0.00 -2.42 0.00 0.00 31.31 28.94 1igb n TRP 13 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1igb h LEU 14 N 0.00 0.86 -1.93 -0.99 5.85 -0.81 -1.41 115.31 116.89 1igb h LEU 14 Ca -0.40 0.04 0.31 0.00 0.84 0.00 0.00 57.88 58.67 1igb h LEU 14 Cb 2.11 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.96 1igb h LEU 14 CO 0.06 0.47 0.83 -0.65 -0.34 0.00 0.00 178.44 178.80 1igb h PRO 15 N 0.93 0.00 -0.00 5.25 0.11 -1.77 -2.64 132.00 133.88 1igb h PRO 15 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1igb h PRO 15 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1igb h PRO 15 CO -0.23 0.00 -0.25 1.04 -0.21 0.00 0.00 178.00 178.34 1igb n GLN 16 N -4.05 0.43 -1.85 1.05 6.02 -0.53 -4.85 117.38 113.60 1igb n GLN 16 Ca 0.23 -0.20 -0.41 0.00 -0.01 0.00 0.00 57.00 56.60 1igb n GLN 16 Cb 1.18 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.93 1igb n GLN 16 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1igb s VAL 17 N -2.71 2.26 -0.18 5.09 1.01 -1.00 -4.96 120.40 119.91 1igb s VAL 17 Ca 0.20 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1igb s VAL 17 Cb 0.19 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.47 1igb s VAL 17 CO 0.56 0.03 -0.08 -0.62 0.00 0.00 0.00 175.10 175.00 1igb s ASP 18 N 0.50 3.12 0.46 3.32 -1.08 -1.26 -5.00 116.67 116.73 1igb s ASP 18 Ca 0.63 -0.78 0.14 0.00 -0.52 0.00 0.00 52.55 52.01 1igb s ASP 18 Cb -0.46 -1.07 1.09 0.00 -1.46 0.00 0.00 42.92 41.02 1igb s ASP 18 CO 0.45 -0.17 2.05 0.00 0.52 0.00 0.00 175.17 178.02 1igb h ALA 19 N 8.05 1.99 -0.01 3.66 0.00 -1.90 -2.05 119.26 129.00 1igb h ALA 19 Ca -0.26 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1igb h ALA 19 Cb 1.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1igb h ALA 19 CO 0.44 -0.06 -0.58 0.66 0.00 0.00 0.00 179.25 179.71 1igb h SER 20 N 0.30 0.02 -0.74 0.00 4.64 -1.95 -0.41 113.55 115.41 1igb h SER 20 Ca 0.17 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 1igb h SER 20 Cb 0.30 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 1igb h SER 20 CO -0.04 0.59 0.32 1.56 -0.87 0.00 0.00 176.83 178.40 1igb h GLN 21 N 0.01 1.10 -0.13 4.77 1.08 -1.81 -1.87 115.11 118.26 1igb h GLN 21 Ca -0.01 -0.18 -0.10 0.00 -1.45 0.00 0.00 58.65 56.91 1igb h GLN 21 Cb 1.03 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1igb h GLN 21 CO 0.08 0.87 -0.33 0.82 -0.95 0.00 0.00 178.83 179.32 1igb h ILE 22 N 1.08 1.37 0.00 2.54 2.04 -1.01 -2.04 117.51 121.48 1igb h ILE 22 Ca 0.25 -1.61 -0.05 0.00 1.00 0.00 0.00 64.86 64.45 1igb h ILE 22 Cb 0.17 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1igb h ILE 22 CO -0.03 0.48 -0.24 0.71 0.00 0.00 0.00 178.15 179.07 1igb h THR 23 N 0.05 0.63 -0.04 -0.27 1.35 -1.19 -2.43 112.91 111.01 1igb h THR 23 Ca -0.00 -1.13 -0.00 0.00 -0.55 0.00 0.00 66.41 64.73 1igb h THR 23 Cb 0.93 1.74 -0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1igb h THR 23 CO 0.07 0.24 0.02 1.23 -0.25 0.00 0.00 175.52 176.83 1igb h GLY 24 N 1.90 0.05 0.82 5.82 0.00 -1.17 -2.00 103.07 108.49 1igb h GLY 24 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 1igb h GLY 24 CO 0.03 0.02 0.02 -0.84 0.00 0.00 0.00 176.54 175.77 1igb h THR 25 N 0.02 1.24 -0.89 4.70 2.02 -1.24 -2.71 112.91 116.05 1igb h THR 25 Ca 0.01 -0.79 0.02 0.00 0.77 0.00 0.00 66.41 66.43 1igb h THR 25 Cb 0.03 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 1igb h THR 25 CO -0.00 0.24 0.59 0.40 0.37 0.00 0.00 175.52 177.12 1igb h ILE 26 N 0.09 1.18 -0.20 3.11 2.04 -1.38 -1.37 117.51 120.98 1igb h ILE 26 Ca 0.05 -0.40 -0.19 0.00 1.00 0.00 0.00 64.86 65.32 1igb h ILE 26 Cb 0.35 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1igb h ILE 26 CO 0.01 0.21 -0.65 0.77 0.00 0.00 0.00 178.15 178.49 1igb h SER 27 N 1.15 0.84 -0.77 1.72 4.64 -1.41 -0.93 113.55 118.80 1igb h SER 27 Ca 0.34 -0.49 0.05 0.00 -0.47 0.00 0.00 61.79 61.22 1igb h SER 27 Cb -0.04 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 61.75 1igb h SER 27 CO -0.09 1.27 0.48 0.28 -0.87 0.00 0.00 176.83 177.89 1igb h SER 28 N 0.54 0.76 -0.17 4.97 0.02 -1.08 -3.17 113.55 115.41 1igb h SER 28 Ca -0.01 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1igb h SER 28 Cb 1.25 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.64 1igb h SER 28 CO 0.13 0.51 -0.63 -0.07 -1.14 0.00 0.00 176.83 175.63 1igb h LEU 29 N 0.90 0.86 0.00 5.07 3.38 -0.96 -3.20 115.31 121.36 1igb h LEU 29 Ca 0.33 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1igb h LEU 29 Cb 0.10 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1igb h LEU 29 CO -0.14 1.32 0.00 -1.84 0.09 0.00 0.00 178.44 177.86 1igb n GLU 30 N -4.05 0.15 0.00 1.13 0.28 -0.38 -2.15 120.64 115.63 1igb n GLU 30 Ca -0.07 0.18 0.14 0.00 -0.16 0.00 0.00 57.16 57.25 1igb n GLU 30 Cb 0.67 -1.50 0.63 0.00 1.43 0.00 0.00 31.44 32.67 1igb n GLU 30 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1igb n SER 31 N -1.34 0.00 -4.76 -1.84 3.41 -1.20 -4.71 113.62 103.18 1igb n SER 31 Ca 0.06 0.40 -0.40 0.00 -0.26 0.00 0.00 58.87 58.66 1igb n SER 31 Cb 0.13 -0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 63.57 1igb n SER 31 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1igb s PHE 32 N -2.93 3.45 0.16 7.33 0.08 -0.91 -4.95 117.98 120.21 1igb s PHE 32 Ca 0.16 1.61 -0.15 0.00 0.12 0.00 0.00 56.93 58.67 1igb s PHE 32 Cb 0.19 -3.38 0.07 0.00 -0.57 0.00 0.00 43.02 39.33 1igb s PHE 32 CO 0.51 -0.89 1.77 1.15 -0.10 0.00 0.00 175.22 177.65 1igb h THR 33 N 3.15 0.93 -3.18 0.64 2.02 -1.89 -3.45 112.91 111.13 1igb h THR 33 Ca -0.47 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 66.62 1igb h THR 33 Cb 1.21 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 68.12 1igb h THR 33 CO 0.67 0.06 0.14 0.54 0.37 0.00 0.00 175.52 177.31 1igb s ASN 34 N -5.41 -0.18 -0.29 4.18 2.20 -1.26 -1.19 114.94 112.98 1igb s ASN 34 Ca -0.13 -0.74 0.16 0.00 -0.94 0.00 0.00 52.86 51.22 1igb s ASN 34 Cb 0.12 0.70 0.48 0.00 -2.00 0.00 0.00 41.25 40.55 1igb s ASN 34 CO 0.72 -1.32 1.10 0.54 -2.94 0.00 0.00 177.10 175.20 1igb n ARG 35 N -0.45 2.26 -2.19 3.55 1.74 -1.26 -3.55 116.66 116.76 1igb n ARG 35 Ca -0.04 -3.72 -0.37 0.00 -0.77 0.00 0.00 57.85 52.95 1igb n ARG 35 Cb 0.60 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1igb n ARG 35 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1igb s PHE 36 N -3.61 2.74 0.51 -1.55 5.36 -1.24 -2.40 117.98 117.78 1igb s PHE 36 Ca 0.35 1.52 0.17 0.00 -0.96 0.00 0.00 56.93 58.01 1igb s PHE 36 Cb 0.37 -3.42 1.26 0.00 -0.34 0.00 0.00 43.02 40.90 1igb s PHE 36 CO -0.02 -1.72 2.10 0.10 -1.46 0.00 0.00 175.22 174.22 1igb h TYR 37 N 1.74 0.05 -0.45 10.12 -0.00 -1.95 -2.37 116.97 124.12 1igb h TYR 37 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.23 1igb h TYR 37 Cb 1.26 -0.02 0.00 0.00 -0.00 0.00 0.00 36.73 37.97 1igb h TYR 37 CO 0.52 0.03 0.00 0.25 -0.00 0.00 0.00 178.16 178.95 1igb n THR 38 N -4.50 0.59 -3.49 -0.90 -2.24 -1.26 -3.30 114.28 99.18 1igb n THR 38 Ca 0.01 -0.71 -0.20 0.00 -2.27 0.00 0.00 64.05 60.88 1igb n THR 38 Cb 0.22 0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 1igb n THR 38 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1igb s THR 39 N -1.41 3.31 0.17 4.28 -4.23 -0.89 -4.89 115.64 111.99 1igb s THR 39 Ca 0.39 -1.20 -0.02 0.00 -1.18 0.00 0.00 61.69 59.68 1igb s THR 39 Cb 0.21 -3.15 -0.10 0.00 1.34 0.00 0.00 72.50 70.80 1igb s THR 39 CO 0.29 -0.09 1.44 0.71 -0.54 0.00 0.00 174.62 176.43 1igb h THR 40 N 0.98 1.37 0.00 3.99 1.35 -1.94 -2.82 112.91 115.84 1igb h THR 40 Ca -0.43 -2.10 -0.09 0.00 -0.55 0.00 0.00 66.41 63.24 1igb h THR 40 Cb 1.26 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 69.74 1igb h THR 40 CO 0.54 0.63 -0.43 0.77 -0.25 0.00 0.00 175.52 176.78 1igb h SER 41 N 0.30 0.00 -0.63 5.36 4.64 -1.92 -1.22 113.55 120.08 1igb h SER 41 Ca -0.03 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.38 1igb h SER 41 Cb 1.29 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.31 1igb h SER 41 CO 0.12 0.43 0.26 1.23 -0.87 0.00 0.00 176.83 178.01 1igb h GLY 42 N 1.62 0.90 1.24 -0.77 0.00 -1.56 -1.98 103.07 102.51 1igb h GLY 42 Ca -0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 47.33 46.93 1igb h GLY 42 CO 0.06 0.01 -0.91 0.00 0.00 0.00 0.00 176.54 175.70 1igb h ALA 43 N 1.41 0.24 -0.86 3.60 0.00 -1.19 -3.31 119.26 119.15 1igb h ALA 43 Ca 0.31 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1igb h ALA 43 Cb 0.36 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1igb h ALA 43 CO -0.28 0.70 0.54 1.96 0.00 0.00 0.00 179.25 182.16 1igb h GLN 44 N 0.45 1.15 -0.71 0.00 4.20 -1.06 -2.66 115.11 116.48 1igb h GLN 44 Ca -0.09 -0.09 0.16 0.00 0.06 0.00 0.00 58.65 58.69 1igb h GLN 44 Cb 1.55 -0.25 -0.12 0.00 0.30 0.00 0.00 27.48 28.97 1igb h GLN 44 CO 0.18 0.79 0.08 0.00 -0.67 0.00 0.00 178.83 179.21 1igb h ALA 45 N 1.29 0.81 -0.80 3.87 0.00 -1.46 0.34 119.26 123.32 1igb h ALA 45 Ca 0.31 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.43 1igb h ALA 45 Cb -0.09 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1igb h ALA 45 CO -0.06 -0.39 0.53 1.03 0.00 0.00 0.00 179.25 180.36 1igb h SER 46 N 0.17 0.90 -0.19 0.00 0.87 -1.56 -2.69 113.55 111.05 1igb h SER 46 Ca 0.39 -0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.77 1igb h SER 46 Cb 0.68 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1igb h SER 46 CO -0.57 0.64 -0.49 0.44 -0.53 0.00 0.00 176.83 176.32 1igb h ASP 47 N 1.06 0.83 -0.53 6.23 3.32 -0.89 -2.66 116.42 123.79 1igb h ASP 47 Ca 0.30 -0.42 0.02 0.00 0.02 0.00 0.00 57.03 56.95 1igb h ASP 47 Cb -0.07 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 1igb h ASP 47 CO -0.07 1.18 0.32 -0.25 -1.72 0.00 0.00 179.24 178.70 1igb h TRP 48 N 0.60 0.60 -0.09 4.55 7.01 -0.91 -2.50 115.95 125.20 1igb h TRP 48 Ca 0.03 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 1igb h TRP 48 Cb 1.06 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.93 1igb h TRP 48 CO 0.06 0.35 0.03 0.82 -2.79 0.00 0.00 178.44 176.90 1igb h ILE 49 N 0.64 1.17 -0.91 2.65 2.04 -1.45 -1.89 117.51 119.75 1igb h ILE 49 Ca 0.21 -0.50 0.12 0.00 1.00 0.00 0.00 64.86 65.69 1igb h ILE 49 Cb 0.01 1.34 -0.08 0.00 -0.74 0.00 0.00 36.82 37.35 1igb h ILE 49 CO -0.09 0.14 0.54 0.00 0.00 0.00 0.00 178.15 178.75 1igb h ALA 50 N 0.84 1.36 -0.52 1.87 0.00 -1.34 -0.69 119.26 120.79 1igb h ALA 50 Ca 0.03 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1igb h ALA 50 Cb 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1igb h ALA 50 CO -0.00 0.11 0.05 1.03 0.00 0.00 0.00 179.25 180.43 1igb h SER 51 N 0.84 0.85 -0.05 0.00 0.87 -1.15 -1.71 113.55 113.21 1igb h SER 51 Ca 0.46 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1igb h SER 51 Cb 0.50 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1igb h SER 51 CO -0.28 0.92 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.59 1igb h GLU 52 N 0.76 0.10 -0.34 2.24 4.39 -0.87 -2.68 114.58 118.18 1igb h GLU 52 Ca 0.15 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1igb h GLU 52 Cb 0.46 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1igb h GLU 52 CO 0.02 0.46 0.20 -1.49 -1.16 0.00 0.00 179.01 177.04 1igb h TRP 53 N -0.27 0.43 -0.33 4.33 4.06 -1.06 -2.94 115.95 120.17 1igb h TRP 53 Ca 0.01 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.89 1igb h TRP 53 Cb 0.43 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.44 1igb h TRP 53 CO 0.06 0.29 -0.10 0.37 -3.56 0.00 0.00 178.44 175.50 1igb h GLN 54 N 0.46 0.65 0.00 0.49 5.75 -1.13 -1.73 115.11 119.60 1igb h GLN 54 Ca 0.12 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 1igb h GLN 54 Cb -0.01 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.50 1igb h GLN 54 CO -0.02 0.83 -0.09 0.00 -2.65 0.00 0.00 178.83 176.90 1igb h ALA 55 N 0.80 1.79 0.24 3.38 0.00 -1.30 -2.70 119.26 121.47 1igb h ALA 55 Ca 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1igb h ALA 55 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1igb h ALA 55 CO 0.04 0.11 -0.12 -0.07 0.00 0.00 0.00 179.25 179.21 1igb h LEU 56 N 0.00 -0.28 -2.65 0.00 4.07 -1.47 -3.29 115.31 111.69 1igb h LEU 56 Ca -0.00 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1igb h LEU 56 Cb 0.16 0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 1igb h LEU 56 CO 0.01 0.20 0.11 0.77 -1.08 0.00 0.00 178.44 178.46 1igb h SER 57 N -0.87 0.00 0.20 -0.43 4.64 -1.08 -3.10 113.55 112.91 1igb h SER 57 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1igb h SER 57 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1igb h SER 57 CO 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 1igb n ALA 58 N -2.03 1.51 -0.08 5.18 0.00 -1.04 -1.77 120.51 122.28 1igb n ALA 58 Ca -0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 1igb n ALA 58 Cb 0.18 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.39 1igb n ALA 58 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1igb h SER 59 N 0.00 0.00 -2.79 0.00 0.02 -1.80 -3.50 113.55 105.49 1igb h SER 59 Ca 0.00 -0.58 -0.59 0.00 -0.84 0.00 0.00 61.79 59.78 1igb h SER 59 Cb 0.10 0.00 0.11 0.00 0.14 0.00 0.00 62.40 62.75 1igb h SER 59 CO 0.00 1.12 0.24 -0.11 -1.14 0.00 0.00 176.83 176.94 1igb n LEU 60 N -4.56 2.39 -4.59 5.07 7.94 -0.73 -4.96 117.00 117.56 1igb n LEU 60 Ca -0.18 1.17 -0.42 0.00 -1.11 0.00 0.00 56.01 55.47 1igb n LEU 60 Cb 0.49 -1.35 -0.03 0.00 0.53 0.00 0.00 43.42 43.06 1igb n LEU 60 CO 0.21 -1.16 1.61 -2.16 -1.11 0.00 0.00 177.39 174.79 1igb s PRO 61 N -1.71 3.19 -0.96 1.96 0.04 -1.26 -3.94 135.00 132.33 1igb s PRO 61 Ca 0.58 1.46 -0.01 0.00 0.04 0.00 0.00 61.00 63.07 1igb s PRO 61 Cb -0.64 -4.26 -0.01 0.00 0.04 0.00 0.00 34.50 29.63 1igb s PRO 61 CO 0.60 -2.03 0.80 0.09 0.04 0.00 0.00 177.00 176.51 1igb n ASN 62 N 10.95 -2.87 -4.53 6.66 3.02 -1.26 -4.45 115.26 122.79 1igb n ASN 62 Ca 0.24 -0.52 -0.34 0.00 -0.03 0.00 0.00 54.58 53.93 1igb n ASN 62 Cb 0.47 -4.31 -0.12 0.00 -0.61 0.00 0.00 39.78 35.21 1igb n ASN 62 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1igb s ALA 63 N -3.30 2.98 -0.01 5.41 0.00 -1.25 -1.54 121.76 124.05 1igb s ALA 63 Ca 0.08 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 51.11 1igb s ALA 63 Cb -0.01 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.72 1igb s ALA 63 CO 0.60 0.38 0.17 -1.54 0.00 0.00 0.00 175.76 175.36 1igb s SER 64 N -0.17 -0.03 -0.12 0.00 1.04 -0.89 -4.97 113.70 108.56 1igb s SER 64 Ca 0.03 -0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.38 1igb s SER 64 Cb -0.13 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 1igb s SER 64 CO 0.03 -0.34 -0.18 -0.69 0.98 0.00 0.00 173.24 173.04 1igb s VAL 65 N -1.17 2.56 0.10 5.02 1.01 -1.26 -1.76 120.40 124.90 1igb s VAL 65 Ca -0.12 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 1igb s VAL 65 Cb -0.06 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1igb s VAL 65 CO 0.02 0.54 0.12 -1.59 0.00 0.00 0.00 175.10 174.19 1igb s LYS 66 N 0.38 0.84 -0.05 2.72 -2.85 -0.26 -5.00 119.74 115.52 1igb s LYS 66 Ca -0.14 -1.14 0.06 0.00 -1.00 0.00 0.00 55.97 53.75 1igb s LYS 66 Cb -0.17 0.30 -0.01 0.00 -2.06 0.00 0.00 37.83 35.89 1igb s LYS 66 CO 0.07 -0.25 -0.25 -0.65 0.10 0.00 0.00 175.35 174.37 1igb s GLN 67 N -3.92 2.47 -0.20 1.78 -0.21 -1.26 -0.23 119.66 118.09 1igb s GLN 67 Ca 0.10 -0.89 -0.07 0.00 0.02 0.00 0.00 55.36 54.52 1igb s GLN 67 Cb 0.06 -2.11 -0.04 0.00 1.00 0.00 0.00 33.01 31.92 1igb s GLN 67 CO -0.07 0.38 0.06 0.08 -2.12 0.00 0.00 175.29 173.62 1igb s VAL 68 N -0.18 4.56 0.43 1.09 1.01 0.17 -4.91 120.40 122.57 1igb s VAL 68 Ca -0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 1igb s VAL 68 Cb -0.13 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1igb s VAL 68 CO 0.03 0.42 0.73 -0.44 0.00 0.00 0.00 175.10 175.85 1igb s SER 69 N 0.79 6.33 0.15 3.32 0.01 -1.26 -2.05 113.70 121.00 1igb s SER 69 Ca 0.03 0.90 0.01 0.00 1.31 0.00 0.00 55.95 58.19 1igb s SER 69 Cb -0.14 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 1igb s SER 69 CO 0.02 -0.48 0.02 -1.00 0.41 0.00 0.00 173.24 172.21 1igb s HIS 70 N -2.56 1.05 -0.11 2.43 3.76 -1.26 -4.99 115.29 113.61 1igb s HIS 70 Ca 0.47 -1.09 -0.13 0.00 -0.15 0.00 0.00 55.06 54.16 1igb s HIS 70 Cb -0.10 -0.60 -0.05 0.00 1.11 0.00 0.00 32.58 32.94 1igb s HIS 70 CO 0.40 -0.32 0.30 -1.12 -0.85 0.00 0.00 174.74 173.14 1igb s SER 71 N -3.12 6.53 0.00 1.40 0.01 -1.26 -4.18 113.70 113.09 1igb s SER 71 Ca 0.23 0.63 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1igb s SER 71 Cb 0.07 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1igb s SER 71 CO 0.02 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.50 1igb n GLY 72 N 2.70 1.65 3.50 3.44 0.00 -1.26 -5.05 105.19 110.19 1igb n GLY 72 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1igb n GLY 72 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1igb s TYR 73 N -2.32 -0.43 -0.78 1.61 -0.85 -1.26 -5.00 117.35 108.32 1igb s TYR 73 Ca 0.00 0.21 0.24 0.00 -0.52 0.00 0.00 57.07 57.00 1igb s TYR 73 Cb 0.00 0.57 0.40 0.00 0.38 0.00 0.00 41.96 43.31 1igb s TYR 73 CO 0.00 -0.79 1.34 0.09 -1.52 0.00 0.00 175.55 174.67 1igb n ASN 74 N -0.35 0.60 -4.71 -0.18 4.13 -1.25 -4.47 115.26 109.02 1igb n ASN 74 Ca -0.13 -0.04 -0.42 0.00 1.68 0.00 0.00 54.58 55.67 1igb n ASN 74 Cb 0.63 0.24 -0.03 0.00 -1.54 0.00 0.00 39.78 39.08 1igb n ASN 74 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1igb s GLN 75 N -3.10 4.56 0.03 3.52 0.74 -1.21 -4.75 119.66 119.45 1igb s GLN 75 Ca 0.08 1.49 -0.01 0.00 0.05 0.00 0.00 55.36 56.97 1igb s GLN 75 Cb 0.15 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 1igb s GLN 75 CO 0.72 -0.03 0.17 0.15 -0.55 0.00 0.00 175.29 175.75 1igb s LYS 76 N 0.79 3.34 0.34 1.67 1.02 -1.26 -4.59 119.74 121.06 1igb s LYS 76 Ca 0.52 -0.42 -0.16 0.00 0.02 0.00 0.00 55.97 55.93 1igb s LYS 76 Cb -0.23 -3.01 -0.09 0.00 -0.52 0.00 0.00 37.83 33.97 1igb s LYS 76 CO 0.29 0.64 0.78 -1.12 -0.92 0.00 0.00 175.35 175.01 1igb s SER 77 N -2.18 6.81 -0.08 2.83 0.01 -0.87 -4.63 113.70 115.60 1igb s SER 77 Ca 0.30 1.37 0.01 0.00 1.31 0.00 0.00 55.95 58.93 1igb s SER 77 Cb -0.13 -2.41 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 1igb s SER 77 CO 0.22 -0.23 -0.09 -0.69 0.41 0.00 0.00 173.24 172.86 1igb s VAL 78 N -2.02 3.52 -0.04 3.43 1.01 -0.97 -0.66 120.40 124.68 1igb s VAL 78 Ca 0.56 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 1igb s VAL 78 Cb -0.10 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.86 1igb s VAL 78 CO 0.17 0.58 0.04 -0.69 0.00 0.00 0.00 175.10 175.20 1igb s VAL 79 N -0.52 -0.02 -0.10 2.92 1.01 0.69 -1.63 120.40 122.75 1igb s VAL 79 Ca 0.08 0.34 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 1igb s VAL 79 Cb -0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1igb s VAL 79 CO 0.02 0.18 -0.07 -0.32 0.00 0.00 0.00 175.10 174.91 1igb s MET 80 N 1.93 3.06 0.07 2.72 1.75 -0.78 -1.10 119.30 126.95 1igb s MET 80 Ca 0.02 -0.55 0.09 0.00 -1.25 0.00 0.00 55.69 54.00 1igb s MET 80 Cb -0.12 -2.68 -0.03 0.00 2.84 0.00 0.00 34.83 34.84 1igb s MET 80 CO -0.03 0.51 -0.23 0.95 -0.65 0.00 0.00 175.02 175.57 1igb s THR 81 N -0.39 1.90 -0.11 10.11 -4.23 -0.72 -0.93 115.64 121.26 1igb s THR 81 Ca 0.06 -1.40 0.02 0.00 -1.18 0.00 0.00 61.69 59.19 1igb s THR 81 Cb -0.12 -1.66 0.01 0.00 1.34 0.00 0.00 72.50 72.07 1igb s THR 81 CO 0.02 0.19 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.49 1igb s ILE 82 N -0.90 1.60 -0.04 2.99 1.01 -0.93 -2.10 121.20 122.83 1igb s ILE 82 Ca 0.10 -0.71 -0.27 0.00 0.00 0.00 0.00 60.65 59.77 1igb s ILE 82 Cb -0.10 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 1igb s ILE 82 CO 0.03 0.46 0.84 -0.89 0.00 0.00 0.00 174.94 175.38 1igb s THR 83 N 0.92 4.95 0.47 2.92 2.01 -0.59 -2.27 115.64 124.06 1igb s THR 83 Ca -0.07 1.74 -0.22 0.00 0.31 0.00 0.00 61.69 63.45 1igb s THR 83 Cb -0.15 -4.18 -0.08 0.00 0.01 0.00 0.00 72.50 68.10 1igb s THR 83 CO -0.01 0.19 1.09 -0.83 -0.69 0.00 0.00 174.62 174.37 1igb s GLY 84 N 0.92 2.65 0.43 4.40 0.00 -1.23 -4.77 107.32 109.71 1igb s GLY 84 Ca 0.44 0.75 0.23 0.00 0.00 0.00 0.00 44.72 46.13 1igb s GLY 84 CO 0.22 1.13 1.61 1.48 0.00 0.00 0.00 173.10 177.55 1igb h SER 85 N 1.82 0.00 0.00 1.64 4.64 -1.11 -3.36 113.55 117.19 1igb h SER 85 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1igb h SER 85 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1igb h SER 85 CO 0.60 0.07 -0.80 -0.62 -0.87 0.00 0.00 176.83 175.20 1igb n GLU 86 N -3.12 2.39 -3.21 4.77 -0.58 -0.85 -4.93 120.64 115.11 1igb n GLU 86 Ca 0.03 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.54 1igb n GLU 86 Cb 0.54 -0.90 -0.07 0.00 -0.57 0.00 0.00 31.44 30.44 1igb n GLU 86 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1igb n ALA 87 N -1.86 2.58 0.00 0.62 0.00 0.57 -5.00 120.51 117.41 1igb n ALA 87 Ca 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 53.44 49.89 1igb n ALA 87 Cb 0.40 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1igb n ALA 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1igb n PRO 88 N 1.21 0.00 -0.00 0.00 -0.04 -1.26 -2.96 135.00 131.95 1igb n PRO 88 Ca 0.22 0.32 0.10 0.00 -0.04 0.00 0.00 63.50 64.10 1igb n PRO 88 Cb 0.53 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.57 1igb n PRO 88 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1igb n ASP 89 N -1.32 2.60 -4.51 3.54 5.75 -1.26 -4.48 116.55 116.88 1igb n ASP 89 Ca 0.00 -1.80 -0.34 0.00 -0.01 0.00 0.00 54.79 52.64 1igb n ASP 89 Cb 0.00 -0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 1igb n ASP 89 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1igb s GLU 90 N -1.59 3.70 -0.01 0.11 2.02 -1.16 -3.86 118.70 117.92 1igb s GLU 90 Ca 0.22 -0.50 0.06 0.00 0.02 0.00 0.00 54.97 54.78 1igb s GLU 90 Cb 0.16 -2.98 -0.03 0.00 0.10 0.00 0.00 34.13 31.39 1igb s GLU 90 CO 0.24 0.21 -0.20 -1.58 0.02 0.00 0.00 175.26 173.95 1igb s TRP 91 N 0.46 2.52 -0.22 1.61 0.52 -0.43 -2.49 118.94 120.92 1igb s TRP 91 Ca -0.02 -0.29 -0.04 0.00 0.02 0.00 0.00 56.10 55.76 1igb s TRP 91 Cb -0.14 -1.52 -0.01 0.00 -1.15 0.00 0.00 33.47 30.65 1igb s TRP 91 CO 0.02 0.13 -0.04 0.42 0.02 0.00 0.00 176.95 177.51 1igb s ILE 92 N -0.76 3.46 -0.15 2.03 -1.09 -1.08 -1.02 121.20 122.59 1igb s ILE 92 Ca 0.12 -0.47 -0.05 0.00 -2.23 0.00 0.00 60.65 58.02 1igb s ILE 92 Cb -0.10 -2.57 -0.04 0.00 -1.58 0.00 0.00 42.46 38.17 1igb s ILE 92 CO 0.01 0.42 0.03 -0.69 -1.23 0.00 0.00 174.94 173.48 1igb s VAL 93 N 1.41 4.50 -0.07 2.92 1.01 -0.81 -1.36 120.40 128.00 1igb s VAL 93 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1igb s VAL 93 Cb -0.14 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.28 1igb s VAL 93 CO -0.02 0.51 -0.05 -0.51 0.00 0.00 0.00 175.10 175.03 1igb s ILE 94 N 0.00 0.70 0.39 2.22 2.07 -0.89 -1.82 121.20 123.88 1igb s ILE 94 Ca 0.04 -0.16 -0.14 0.00 -1.41 0.00 0.00 60.65 58.98 1igb s ILE 94 Cb -0.13 -0.74 0.05 0.00 0.13 0.00 0.00 42.46 41.78 1igb s ILE 94 CO 0.01 0.29 0.77 -0.83 -1.91 0.00 0.00 174.94 173.27 1igb s GLY 95 N 1.29 0.51 0.31 1.50 0.00 -0.73 -1.01 107.32 109.19 1igb s GLY 95 Ca -0.04 -0.86 -0.15 0.00 0.00 0.00 0.00 44.72 43.67 1igb s GLY 95 CO -0.02 -0.39 0.64 -0.32 0.00 0.00 0.00 173.10 173.01 1igb s GLY 96 N -3.10 0.42 -0.04 0.20 0.00 -0.92 -1.29 107.32 102.59 1igb s GLY 96 Ca 0.17 -0.75 -0.07 0.00 0.00 0.00 0.00 44.72 44.07 1igb s GLY 96 CO 0.13 -0.42 0.23 -2.38 0.00 0.00 0.00 173.10 170.66 1igb s HIS 97 N -3.38 3.60 -1.04 1.90 -3.43 -1.26 -1.52 115.29 110.17 1igb s HIS 97 Ca 0.18 0.59 0.24 0.00 -0.80 0.00 0.00 55.06 55.27 1igb s HIS 97 Cb -0.04 -1.99 0.41 0.00 -1.43 0.00 0.00 32.58 29.53 1igb s HIS 97 CO 0.11 0.67 1.35 1.47 -2.00 0.00 0.00 174.74 176.33 1igb n LEU 98 N 1.52 0.60 -4.92 5.38 -0.00 -0.04 -4.41 117.00 115.13 1igb n LEU 98 Ca -0.15 -0.09 -0.26 0.00 -0.00 0.00 0.00 56.01 55.51 1igb n LEU 98 Cb 0.54 -0.21 0.05 0.00 -0.00 0.00 0.00 43.42 43.79 1igb n LEU 98 CO 0.37 0.15 0.57 1.51 -0.00 0.00 0.00 177.39 179.99 1igb s ASP 99 N -2.98 5.29 0.07 1.45 -4.77 -1.25 -4.84 116.67 109.64 1igb s ASP 99 Ca 0.11 0.63 0.01 0.00 -3.30 0.00 0.00 52.55 50.00 1igb s ASP 99 Cb 0.17 -1.48 -0.04 0.00 -1.09 0.00 0.00 42.92 40.49 1igb s ASP 99 CO 0.72 -1.28 -0.05 -0.94 0.70 0.00 0.00 175.17 174.31 1igb s SER 100 N -4.39 0.86 0.11 2.11 1.04 -1.01 -4.12 113.70 108.30 1igb s SER 100 Ca 0.56 -0.92 -0.05 0.00 0.48 0.00 0.00 55.95 56.02 1igb s SER 100 Cb -0.11 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.11 1igb s SER 100 CO 0.45 -0.47 0.14 0.28 0.98 0.00 0.00 173.24 174.62 1igb s THR 101 N -3.33 0.13 -0.07 2.02 -1.32 -1.26 -3.69 115.64 108.11 1igb s THR 101 Ca 0.06 -1.55 0.17 0.00 -1.21 0.00 0.00 61.69 59.16 1igb s THR 101 Cb 0.03 -1.69 0.34 0.00 -1.51 0.00 0.00 72.50 69.67 1igb s THR 101 CO -0.06 -0.58 1.15 2.30 -2.21 0.00 0.00 174.62 175.23 1igb n ILE 102 N -0.08 0.77 0.00 5.08 -5.35 -1.26 -4.08 119.36 114.45 1igb n ILE 102 Ca -0.10 -1.54 0.00 0.00 -0.27 0.00 0.00 62.75 60.83 1igb n ILE 102 Cb 0.63 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 1igb n ILE 102 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1igb n GLY 103 N -0.21 -0.76 0.44 3.28 0.00 -1.26 -4.72 105.19 101.96 1igb n GLY 103 Ca 0.09 -2.25 0.38 0.00 0.00 0.00 0.00 46.02 44.25 1igb n GLY 103 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1igb n SER 104 N 0.00 0.24 -0.97 1.61 2.88 -1.26 -1.64 113.62 114.48 1igb n SER 104 Ca 0.00 1.45 0.04 0.00 -1.33 0.00 0.00 58.87 59.03 1igb n SER 104 Cb 0.00 -0.71 0.24 0.00 -0.75 0.00 0.00 64.21 62.99 1igb n SER 104 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1igb n HIS 105 N -4.84 1.01 -1.71 0.66 8.25 -1.26 -5.04 115.22 112.29 1igb n HIS 105 Ca 0.40 -1.10 -0.38 0.00 -0.26 0.00 0.00 57.72 56.37 1igb n HIS 105 Cb 1.50 -0.37 0.05 0.00 1.12 0.00 0.00 29.99 32.29 1igb n HIS 105 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1igb n THR 106 N -0.72 3.87 -3.14 1.59 -1.04 -0.65 -5.02 114.28 109.16 1igb n THR 106 Ca 0.25 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1igb n THR 106 Cb 0.95 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 1igb n THR 106 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1igb n ASN 107 N -0.98 0.00 -0.32 8.00 0.23 -1.26 -5.03 115.26 115.90 1igb n ASN 107 Ca 0.12 -0.94 0.19 0.00 -0.53 0.00 0.00 54.58 53.42 1igb n ASN 107 Cb 0.45 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.54 1igb n ASN 107 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1igb h GLU 108 N 0.00 0.28 0.00 -3.83 4.39 -1.95 -2.30 114.58 111.17 1igb h GLU 108 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1igb h GLU 108 Cb 0.00 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1igb h GLU 108 CO 0.00 0.18 -1.21 0.00 -1.16 0.00 0.00 179.01 176.83 1igb n GLN 109 N -5.12 0.29 -1.69 2.33 -0.00 -1.26 -4.88 117.38 107.05 1igb n GLN 109 Ca 0.27 -0.04 -0.44 0.00 -0.00 0.00 0.00 57.00 56.80 1igb n GLN 109 Cb 0.85 -1.56 -0.03 0.00 -0.00 0.00 0.00 30.24 29.50 1igb n GLN 109 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1igb n SER 110 N -1.91 3.72 -4.60 2.61 7.64 -0.87 -4.94 113.62 115.27 1igb n SER 110 Ca 0.01 1.04 -0.42 0.00 1.01 0.00 0.00 58.87 60.52 1igb n SER 110 Cb 0.44 -1.51 -0.06 0.00 -1.01 0.00 0.00 64.21 62.07 1igb n SER 110 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1igb s VAL 111 N 1.73 4.86 -0.42 0.44 1.01 -1.26 -4.26 120.40 122.49 1igb s VAL 111 Ca 0.79 1.02 0.03 0.00 0.00 0.00 0.00 61.98 63.82 1igb s VAL 111 Cb -0.56 -4.08 0.16 0.00 0.00 0.00 0.00 36.38 31.90 1igb s VAL 111 CO 0.36 -0.21 0.33 0.00 0.00 0.00 0.00 175.10 175.58 1igb s ALA 112 N 2.80 1.48 0.14 5.51 0.00 -0.33 -4.19 121.76 127.17 1igb s ALA 112 Ca 0.29 -2.44 0.30 0.00 0.00 0.00 0.00 51.96 50.11 1igb s ALA 112 Cb -0.14 -1.63 1.23 0.00 0.00 0.00 0.00 23.12 22.57 1igb s ALA 112 CO 0.12 -2.00 1.94 -1.00 0.00 0.00 0.00 175.76 174.82 1igb h PRO 113 N 5.87 0.00 -7.03 0.00 0.13 -1.77 -3.39 132.00 125.80 1igb h PRO 113 Ca 0.22 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.75 1igb h PRO 113 Cb 0.91 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.85 1igb h PRO 113 CO 0.38 0.09 -0.95 0.41 -0.23 0.00 0.00 178.00 177.69 1igb n GLY 114 N 0.02 -0.18 0.19 1.56 0.00 -1.15 -4.34 105.19 101.29 1igb n GLY 114 Ca 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 1igb n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1igb h ALA 115 N 0.90 0.22 0.00 4.61 0.00 -1.49 -0.97 119.26 122.53 1igb h ALA 115 Ca -0.65 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 53.58 1igb h ALA 115 Cb 1.37 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1igb h ALA 115 CO 0.68 0.53 -0.67 0.22 0.00 0.00 0.00 179.25 180.01 1igb h ASP 116 N 0.30 0.00 -3.45 0.00 3.58 -1.84 -0.49 116.42 114.52 1igb h ASP 116 Ca -0.06 -0.56 -0.72 0.00 0.42 0.00 0.00 57.03 56.12 1igb h ASP 116 Cb 1.33 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 42.17 1igb h ASP 116 CO 0.14 1.17 -0.33 -0.62 -2.88 0.00 0.00 179.24 176.71 1igb s ASP 117 N -6.41 6.14 -0.63 2.28 2.15 -1.25 -3.77 116.67 115.18 1igb s ASP 117 Ca -0.22 -0.96 0.01 0.00 0.43 0.00 0.00 52.55 51.82 1igb s ASP 117 Cb 0.02 -2.19 0.40 0.00 -0.30 0.00 0.00 42.92 40.85 1igb s ASP 117 CO 0.53 -0.55 1.64 -0.67 -0.17 0.00 0.00 175.17 175.95 1igb n ASP 118 N 5.32 6.35 0.25 -0.34 2.03 -1.22 -4.36 116.55 124.58 1igb n ASP 118 Ca -0.10 -3.78 0.10 0.00 0.52 0.00 0.00 54.79 51.52 1igb n ASP 118 Cb 0.46 -0.78 0.64 0.00 -0.72 0.00 0.00 41.12 40.72 1igb n ASP 118 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1igb h ALA 119 N 2.65 1.38 -0.79 -1.67 0.00 -0.87 -2.65 119.26 117.30 1igb h ALA 119 Ca 0.46 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1igb h ALA 119 Cb 0.58 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1igb h ALA 119 CO 1.19 0.20 0.48 0.66 0.00 0.00 0.00 179.25 181.78 1igb h SER 120 N 0.00 0.94 -0.13 0.00 4.64 -1.23 0.29 113.55 118.07 1igb h SER 120 Ca -0.00 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1igb h SER 120 Cb 0.37 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1igb h SER 120 CO 0.02 0.72 0.07 1.23 -0.87 0.00 0.00 176.83 178.00 1igb h GLY 121 N 1.08 0.19 0.99 -0.77 0.00 -1.71 -2.58 103.07 100.26 1igb h GLY 121 Ca 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 1igb h GLY 121 CO -0.05 0.09 0.24 -2.22 0.00 0.00 0.00 176.54 174.59 1igb h ILE 122 N 0.10 1.22 -0.75 2.60 1.08 -1.29 -2.78 117.51 117.69 1igb h ILE 122 Ca 0.04 -0.65 -0.05 0.00 -0.39 0.00 0.00 64.86 63.81 1igb h ILE 122 Cb 0.09 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 34.40 1igb h ILE 122 CO -0.01 0.25 0.27 0.00 -0.69 0.00 0.00 178.15 177.98 1igb h ALA 123 N 1.09 1.06 -0.39 1.87 0.00 -0.89 -1.53 119.26 120.47 1igb h ALA 123 Ca 0.19 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1igb h ALA 123 Cb 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1igb h ALA 123 CO -0.02 0.65 0.24 0.00 0.00 0.00 0.00 179.25 180.12 1igb h ALA 124 N 1.19 0.49 -0.58 0.00 0.00 -1.40 -2.05 119.26 116.92 1igb h ALA 124 Ca 0.25 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1igb h ALA 124 Cb 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1igb h ALA 124 CO -0.02 -0.09 0.23 0.28 0.00 0.00 0.00 179.25 179.65 1igb h VAL 125 N 0.48 1.23 -0.81 0.00 2.07 -1.20 -2.77 116.25 115.25 1igb h VAL 125 Ca 0.15 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 1igb h VAL 125 Cb -0.01 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1igb h VAL 125 CO -0.06 0.27 0.37 0.74 0.02 0.00 0.00 177.57 178.91 1igb h THR 126 N 0.80 1.26 -0.23 2.57 2.02 -0.79 -2.70 112.91 115.84 1igb h THR 126 Ca 0.19 -0.75 -0.12 0.00 0.77 0.00 0.00 66.41 66.51 1igb h THR 126 Cb 0.20 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1igb h THR 126 CO -0.02 0.31 -0.37 -0.08 0.37 0.00 0.00 175.52 175.74 1igb h GLU 127 N 1.16 0.51 -0.27 6.66 4.57 -1.33 -1.90 114.58 123.97 1igb h GLU 127 Ca 0.28 -0.24 0.05 0.00 -1.18 0.00 0.00 59.36 58.26 1igb h GLU 127 Cb 0.15 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 1igb h GLU 127 CO -0.03 0.81 -0.04 0.28 -1.18 0.00 0.00 179.01 178.85 1igb h VAL 128 N 0.43 0.76 -0.46 0.32 2.07 -1.19 -2.77 116.25 115.40 1igb h VAL 128 Ca 0.04 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1igb h VAL 128 Cb 0.85 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1igb h VAL 128 CO 0.07 0.01 0.16 0.40 0.02 0.00 0.00 177.57 178.22 1igb h ILE 129 N 0.03 0.84 -0.86 4.57 2.04 -1.22 -3.10 117.51 119.81 1igb h ILE 129 Ca 0.13 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.89 1igb h ILE 129 Cb 0.19 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1igb h ILE 129 CO -0.25 0.06 0.56 -0.09 0.00 0.00 0.00 178.15 178.43 1igb h ARG 130 N 0.32 1.11 -0.42 2.37 2.43 -1.09 -2.46 114.38 116.65 1igb h ARG 130 Ca 0.22 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 1igb h ARG 130 Cb 0.23 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1igb h ARG 130 CO -0.23 0.74 0.00 0.28 -1.51 0.00 0.00 179.97 179.25 1igb h VAL 131 N 1.14 1.26 -0.68 0.20 2.07 -1.45 -2.76 116.25 116.03 1igb h VAL 131 Ca 0.32 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1igb h VAL 131 Cb -0.11 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1igb h VAL 131 CO -0.08 0.35 0.22 -0.07 0.02 0.00 0.00 177.57 178.02 1igb h LEU 132 N 0.57 0.96 0.24 2.57 3.38 -1.47 -3.10 115.31 118.47 1igb h LEU 132 Ca 0.12 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1igb h LEU 132 Cb 0.48 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1igb h LEU 132 CO 0.02 0.89 -0.11 0.28 0.09 0.00 0.00 178.44 179.61 1igb h SER 133 N 1.00 -0.27 0.00 -0.43 0.02 -1.29 -1.34 113.55 111.24 1igb h SER 133 Ca 0.22 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1igb h SER 133 Cb 0.27 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1igb h SER 133 CO -0.01 0.04 0.31 -0.33 -1.14 0.00 0.00 176.83 175.70 1igb h GLU 134 N -0.60 0.00 -0.06 3.45 5.08 -1.52 -0.95 114.58 120.00 1igb h GLU 134 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1igb h GLU 134 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1igb h GLU 134 CO 0.05 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.15 1igb n ASN 135 N -2.78 2.21 -3.50 1.42 3.02 -1.17 -5.00 115.26 109.45 1igb n ASN 135 Ca -0.02 -1.60 -0.20 0.00 -0.03 0.00 0.00 54.58 52.73 1igb n ASN 135 Cb 0.35 -0.03 0.06 0.00 -0.61 0.00 0.00 39.78 39.56 1igb n ASN 135 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1igb n ASN 136 N 0.75 -3.18 -4.69 6.41 3.02 -0.36 -4.90 115.26 112.30 1igb n ASN 136 Ca 0.08 -0.75 -0.42 0.00 -0.03 0.00 0.00 54.58 53.46 1igb n ASN 136 Cb 0.35 -4.60 -0.03 0.00 -0.61 0.00 0.00 39.78 34.89 1igb n ASN 136 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1igb s PHE 137 N -3.48 3.12 -0.31 3.10 5.36 -0.54 -4.97 117.98 120.25 1igb s PHE 137 Ca 0.16 1.06 -0.01 0.00 -0.96 0.00 0.00 56.93 57.18 1igb s PHE 137 Cb -0.03 -3.53 0.06 0.00 -0.34 0.00 0.00 43.02 39.17 1igb s PHE 137 CO 0.77 -1.81 0.02 -1.14 -1.46 0.00 0.00 175.22 171.60 1igb s GLN 138 N 1.97 2.34 0.77 10.12 2.00 -1.26 -4.55 119.66 131.05 1igb s GLN 138 Ca 0.60 -1.35 -0.12 0.00 -2.00 0.00 0.00 55.36 52.49 1igb s GLN 138 Cb -0.29 -3.21 0.05 0.00 0.80 0.00 0.00 33.01 30.36 1igb s GLN 138 CO 0.26 -0.68 1.13 -1.25 -0.50 0.00 0.00 175.29 174.25 1igb s PRO 139 N 1.22 2.31 -0.17 1.67 0.04 -1.26 -4.89 135.00 133.92 1igb s PRO 139 Ca -0.03 0.36 -0.08 0.00 0.04 0.00 0.00 61.00 61.28 1igb s PRO 139 Cb -0.20 -1.97 -0.23 0.00 0.04 0.00 0.00 34.50 32.15 1igb s PRO 139 CO -0.02 -1.40 0.20 1.63 0.04 0.00 0.00 177.00 177.45 1igb n LYS 140 N -3.23 0.70 -2.47 4.56 5.02 0.53 -1.17 118.16 122.09 1igb n LYS 140 Ca 0.07 0.30 -0.23 0.00 -2.02 0.00 0.00 58.31 56.43 1igb n LYS 140 Cb 0.58 -1.67 0.05 0.00 -0.02 0.00 0.00 35.03 33.97 1igb n LYS 140 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1igb s ARG 141 N -2.52 2.42 0.17 1.97 0.52 -0.34 -0.32 118.95 120.86 1igb s ARG 141 Ca -0.27 -0.56 -0.13 0.00 -0.52 0.00 0.00 55.73 54.26 1igb s ARG 141 Cb 0.07 -2.36 -0.07 0.00 0.52 0.00 0.00 34.95 33.11 1igb s ARG 141 CO 0.69 -0.91 0.55 -1.12 0.02 0.00 0.00 175.30 174.52 1igb s SER 142 N -4.46 6.75 -0.04 0.23 0.01 -1.04 -3.55 113.70 111.61 1igb s SER 142 Ca 0.58 1.02 0.06 0.00 1.31 0.00 0.00 55.95 58.92 1igb s SER 142 Cb -0.10 -2.27 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 1igb s SER 142 CO 0.41 0.05 -0.23 -0.63 0.41 0.00 0.00 173.24 173.25 1igb s ILE 143 N -1.58 1.85 -0.19 1.44 1.01 -0.96 -2.65 121.20 120.11 1igb s ILE 143 Ca 0.41 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1igb s ILE 143 Cb -0.14 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.80 1igb s ILE 143 CO 0.20 0.52 -0.18 0.00 0.00 0.00 0.00 174.94 175.47 1igb s ALA 144 N -0.29 2.38 -0.11 9.38 0.00 -0.46 -2.19 121.76 130.47 1igb s ALA 144 Ca 0.02 -1.28 -0.20 0.00 0.00 0.00 0.00 51.96 50.50 1igb s ALA 144 Cb -0.11 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1igb s ALA 144 CO 0.01 -0.45 0.57 -0.06 0.00 0.00 0.00 175.76 175.83 1igb s PHE 145 N 1.28 3.51 -0.02 0.00 0.08 -0.11 -2.09 117.98 120.63 1igb s PHE 145 Ca 0.03 1.00 0.03 0.00 0.12 0.00 0.00 56.93 58.11 1igb s PHE 145 Cb -0.14 -2.66 -0.00 0.00 -0.57 0.00 0.00 43.02 39.65 1igb s PHE 145 CO -0.12 0.10 -0.09 -1.64 -0.10 0.00 0.00 175.22 173.37 1igb s MET 146 N 0.84 0.86 -0.34 0.44 -1.94 -0.18 -1.87 119.30 117.11 1igb s MET 146 Ca 0.30 -0.31 0.04 0.00 -1.71 0.00 0.00 55.69 54.01 1igb s MET 146 Cb -0.16 -0.82 0.10 0.00 2.01 0.00 0.00 34.83 35.96 1igb s MET 146 CO 0.13 0.14 0.06 0.00 -0.01 0.00 0.00 175.02 175.34 1igb s ALA 147 N 0.05 2.91 0.29 3.03 0.00 -0.65 -2.16 121.76 125.23 1igb s ALA 147 Ca -0.01 -2.55 -0.26 0.00 0.00 0.00 0.00 51.96 49.15 1igb s ALA 147 Cb -0.07 -1.99 -0.09 0.00 0.00 0.00 0.00 23.12 20.97 1igb s ALA 147 CO 0.00 -1.70 0.91 0.71 0.00 0.00 0.00 175.76 175.68 1igb s TYR 148 N 0.90 3.75 0.50 0.00 2.02 -0.58 -2.29 117.35 121.66 1igb s TYR 148 Ca 0.11 1.75 -0.04 0.00 -0.37 0.00 0.00 57.07 58.52 1igb s TYR 148 Cb -0.19 -2.88 -0.02 0.00 -0.40 0.00 0.00 41.96 38.47 1igb s TYR 148 CO -0.08 0.29 0.79 0.00 -1.57 0.00 0.00 175.55 174.98 1igb s ALA 149 N -1.50 3.44 -1.29 3.71 0.00 -1.26 -0.86 121.76 124.00 1igb s ALA 149 Ca 0.47 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1igb s ALA 149 Cb -0.20 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1igb s ALA 149 CO 0.25 -0.48 0.00 0.00 0.00 0.00 0.00 175.76 175.53 1igb n ALA 150 N -2.31 -0.37 -0.24 0.00 0.00 -1.26 -2.28 120.51 114.05 1igb n ALA 150 Ca 0.02 0.18 0.09 0.00 0.00 0.00 0.00 53.44 53.72 1igb n ALA 150 Cb 0.56 -1.42 0.35 0.00 0.00 0.00 0.00 19.45 18.94 1igb n ALA 150 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1igb h GLU 151 N 0.00 0.73 0.00 0.00 4.22 -1.90 -3.01 114.58 114.63 1igb h GLU 151 Ca -0.28 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.12 1igb h GLU 151 Cb 0.96 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1igb h GLU 151 CO 0.38 0.49 0.00 0.39 -2.18 0.00 0.00 179.01 178.09 1igb n GLU 152 N -4.52 0.64 -0.61 1.92 -0.58 -1.26 -1.92 120.64 114.30 1igb n GLU 152 Ca 0.15 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.94 1igb n GLU 152 Cb 0.35 -1.49 0.10 0.00 -0.57 0.00 0.00 31.44 29.84 1igb n GLU 152 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1igb n VAL 153 N -0.99 1.15 0.00 2.62 3.14 -1.16 -4.90 118.33 118.19 1igb n VAL 153 Ca 0.15 -1.74 0.00 0.00 -2.96 0.00 0.00 64.34 59.79 1igb n VAL 153 Cb 0.07 0.19 0.00 0.00 -1.06 0.00 0.00 33.84 33.04 1igb n VAL 153 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1igb n GLY 154 N -0.62 1.99 3.57 7.55 0.00 -1.18 -4.81 105.19 111.70 1igb n GLY 154 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1igb n GLY 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1igb n LEU 155 N 0.00 -2.86 0.02 0.99 4.77 -0.81 -4.94 117.00 114.17 1igb n LEU 155 Ca 0.00 -0.56 -0.11 0.00 -0.03 0.00 0.00 56.01 55.32 1igb n LEU 155 Cb 0.00 -2.81 0.02 0.00 -2.33 0.00 0.00 43.42 38.31 1igb n LEU 155 CO 0.00 0.48 0.39 0.03 -1.33 0.00 0.00 177.39 176.96 1igb h ARG 156 N -2.14 0.53 0.00 3.23 3.08 -1.78 -1.53 114.38 115.78 1igb h ARG 156 Ca -0.56 -0.39 -0.21 0.00 0.07 0.00 0.00 59.98 58.90 1igb h ARG 156 Cb 1.37 0.07 0.02 0.00 0.08 0.00 0.00 29.97 31.50 1igb h ARG 156 CO 0.60 1.01 -0.80 0.78 -1.07 0.00 0.00 179.97 180.48 1igb h GLY 157 N 1.08 0.60 1.63 0.04 0.00 -1.65 -2.96 103.07 101.82 1igb h GLY 157 Ca -0.02 -1.06 -0.20 0.00 0.00 0.00 0.00 47.33 46.06 1igb h GLY 157 CO 0.12 0.94 -0.82 1.48 0.00 0.00 0.00 176.54 178.25 1igb h SER 158 N 0.11 0.43 -0.45 0.19 4.64 -1.75 -2.02 113.55 114.70 1igb h SER 158 Ca -0.10 -0.31 0.03 0.00 -0.47 0.00 0.00 61.79 60.94 1igb h SER 158 Cb 1.49 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.42 1igb h SER 158 CO 0.16 1.08 0.24 -0.61 -0.87 0.00 0.00 176.83 176.83 1igb h GLN 159 N 0.21 0.47 0.33 4.77 4.15 -1.37 0.19 115.11 123.86 1igb h GLN 159 Ca -0.05 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1igb h GLN 159 Cb 1.43 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 29.01 1igb h GLN 159 CO 0.14 0.31 -0.19 -0.44 -1.93 0.00 0.00 178.83 176.72 1igb h ASP 160 N 0.49 -0.47 -0.54 -0.69 5.19 -1.50 -2.13 116.42 116.78 1igb h ASP 160 Ca 0.19 0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.56 1igb h ASP 160 Cb 0.06 0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.68 1igb h ASP 160 CO -0.11 -0.31 0.10 -0.07 -3.12 0.00 0.00 179.24 175.74 1igb h LEU 161 N -0.49 0.87 0.09 1.55 3.38 -1.22 -0.06 115.31 119.44 1igb h LEU 161 Ca -0.04 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1igb h LEU 161 Cb 0.40 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1igb h LEU 161 CO 0.04 0.87 -0.04 0.00 0.09 0.00 0.00 178.44 179.40 1igb h ALA 162 N 1.23 -0.12 0.00 1.53 0.00 -0.69 0.53 119.26 121.74 1igb h ALA 162 Ca 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1igb h ALA 162 Cb 0.37 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1igb h ALA 162 CO 0.01 -0.45 -0.08 -0.91 0.00 0.00 0.00 179.25 177.82 1igb h ASN 163 N -0.36 0.00 0.05 0.00 2.35 -1.29 -0.92 115.58 115.40 1igb h ASN 163 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1igb h ASN 163 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1igb h ASN 163 CO 0.02 0.08 -0.02 -0.61 -1.65 0.00 0.00 177.43 175.25 1igb h GLN 164 N 0.00 -0.06 -0.99 0.81 4.15 -0.40 0.72 115.11 119.34 1igb h GLN 164 Ca -0.00 0.00 0.19 0.00 0.77 0.00 0.00 58.65 59.61 1igb h GLN 164 Cb 0.30 0.01 -0.10 0.00 0.21 0.00 0.00 27.48 27.91 1igb h GLN 164 CO 0.01 0.58 0.61 1.88 -1.93 0.00 0.00 178.83 179.98 1igb h TYR 165 N -0.84 0.97 -0.06 3.99 -1.99 -0.78 0.11 116.97 118.36 1igb h TYR 165 Ca -0.01 0.03 -0.18 0.00 2.00 0.00 0.00 58.73 60.57 1igb h TYR 165 Cb 0.67 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.09 1igb h TYR 165 CO 0.16 0.24 -0.74 -0.22 -0.00 0.00 0.00 178.16 177.60 1igb h LYS 166 N 0.71 0.35 0.00 4.88 3.64 -1.07 0.16 116.57 125.24 1igb h LYS 166 Ca 0.55 -0.29 -0.07 0.00 -1.27 0.00 0.00 60.65 59.57 1igb h LYS 166 Cb 0.93 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1igb h LYS 166 CO -0.33 0.94 -0.32 0.66 -2.27 0.00 0.00 179.45 178.13 1igb h SER 167 N 0.24 0.00 -0.30 4.20 4.64 0.61 -2.10 113.55 120.83 1igb h SER 167 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1igb h SER 167 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1igb h SER 167 CO 0.12 0.32 0.00 -0.62 -0.87 0.00 0.00 176.83 175.78 1igb n GLU 168 N -3.30 1.80 -2.39 4.77 1.02 0.23 -4.92 120.64 117.84 1igb n GLU 168 Ca 0.01 -1.23 -0.15 0.00 -0.02 0.00 0.00 57.16 55.78 1igb n GLU 168 Cb 0.57 -1.31 -0.01 0.00 -0.02 0.00 0.00 31.44 30.67 1igb n GLU 168 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1igb n GLY 169 N 1.09 -0.43 3.77 0.62 0.00 -0.79 -4.93 105.19 104.51 1igb n GLY 169 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1igb n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1igb s LYS 170 N -4.97 4.24 -0.94 1.61 1.02 0.00 -4.94 119.74 115.76 1igb s LYS 170 Ca 0.00 2.02 -0.16 0.00 0.02 0.00 0.00 55.97 57.85 1igb s LYS 170 Cb 0.00 -2.91 0.18 0.00 -0.52 0.00 0.00 37.83 34.58 1igb s LYS 170 CO 0.00 -0.22 1.04 1.21 -0.92 0.00 0.00 175.35 176.46 1igb s ASN 171 N -0.80 6.78 -0.41 2.83 3.04 -1.25 -4.79 114.94 120.34 1igb s ASN 171 Ca 0.52 -2.50 -0.27 0.00 0.04 0.00 0.00 52.86 50.65 1igb s ASN 171 Cb -0.35 -2.32 0.02 0.00 -1.54 0.00 0.00 41.25 37.06 1igb s ASN 171 CO 0.46 -0.80 1.01 -0.69 -3.04 0.00 0.00 177.10 174.04 1igb s VAL 172 N 1.37 4.45 0.09 -5.21 1.01 -1.26 -1.31 120.40 119.54 1igb s VAL 172 Ca 0.29 1.18 -0.16 0.00 0.00 0.00 0.00 61.98 63.29 1igb s VAL 172 Cb -0.07 -4.44 -0.09 0.00 0.00 0.00 0.00 36.38 31.78 1igb s VAL 172 CO -0.08 -0.72 1.42 0.58 0.00 0.00 0.00 175.10 176.29 1igb h VAL 173 N 5.98 1.31 -1.93 2.92 2.07 -1.45 -3.44 116.25 121.70 1igb h VAL 173 Ca -0.23 -1.42 -0.04 0.00 0.82 0.00 0.00 66.70 65.84 1igb h VAL 173 Cb 1.07 1.61 -0.20 0.00 -1.52 0.00 0.00 31.29 32.25 1igb h VAL 173 CO 1.04 0.45 0.23 -0.94 0.02 0.00 0.00 177.57 178.37 1igb s SER 174 N -6.48 -0.63 -0.26 0.57 1.04 -1.25 -4.63 113.70 102.07 1igb s SER 174 Ca -0.13 0.78 0.01 0.00 0.48 0.00 0.00 55.95 57.10 1igb s SER 174 Cb 0.08 0.64 0.07 0.00 0.10 0.00 0.00 66.02 66.91 1igb s SER 174 CO 0.82 -0.51 -0.04 0.00 0.98 0.00 0.00 173.24 174.48 1igb s ALA 175 N -0.93 2.14 -0.11 5.32 0.00 -0.20 -1.92 121.76 126.06 1igb s ALA 175 Ca -0.08 -1.58 -0.18 0.00 0.00 0.00 0.00 51.96 50.12 1igb s ALA 175 Cb -0.01 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1igb s ALA 175 CO 0.07 -1.28 0.48 -1.17 0.00 0.00 0.00 175.76 173.86 1igb s LEU 176 N 1.30 4.28 -0.20 0.00 2.96 -0.75 -2.14 118.68 124.13 1igb s LEU 176 Ca -0.03 0.83 -0.04 0.00 -0.22 0.00 0.00 54.13 54.67 1igb s LEU 176 Cb -0.19 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 43.77 1igb s LEU 176 CO -0.08 0.00 -0.02 -1.58 -1.32 0.00 0.00 176.35 173.36 1igb s GLN 177 N 0.59 3.54 -0.33 1.98 2.00 -0.89 -1.78 119.66 124.77 1igb s GLN 177 Ca 0.26 -0.56 -0.03 0.00 -2.00 0.00 0.00 55.36 53.03 1igb s GLN 177 Cb -0.15 -3.03 0.06 0.00 0.80 0.00 0.00 33.01 30.69 1igb s GLN 177 CO 0.11 -0.03 0.06 -0.51 -0.50 0.00 0.00 175.29 174.42 1igb s LEU 178 N 1.08 4.25 -0.23 3.68 1.43 -0.41 -3.96 118.68 124.52 1igb s LEU 178 Ca 0.02 -1.40 -0.03 0.00 -1.03 0.00 0.00 54.13 51.69 1igb s LEU 178 Cb -0.14 -1.77 0.07 0.00 0.03 0.00 0.00 46.19 44.38 1igb s LEU 178 CO 0.01 -0.33 0.07 -0.62 0.23 0.00 0.00 176.35 175.71 1igb s ASP 179 N 1.39 3.11 -0.02 2.29 2.15 -1.26 -4.37 116.67 119.97 1igb s ASP 179 Ca -0.02 -1.01 -0.01 0.00 0.43 0.00 0.00 52.55 51.94 1igb s ASP 179 Cb -0.20 -0.53 0.00 0.00 -0.30 0.00 0.00 42.92 41.89 1igb s ASP 179 CO -0.01 -0.36 0.02 0.23 -0.17 0.00 0.00 175.17 174.88 1igb n MET 180 N 5.10 -0.44 0.00 4.34 2.81 -1.25 -4.67 117.12 123.01 1igb n MET 180 Ca -0.07 0.78 0.00 0.00 -1.81 0.00 0.00 57.70 56.60 1igb n MET 180 Cb 0.46 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 1igb n MET 180 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1igb n THR 181 N 0.16 0.48 -1.70 2.03 -2.24 -1.26 -2.80 114.28 108.94 1igb n THR 181 Ca -0.04 -0.54 0.05 0.00 -2.27 0.00 0.00 64.05 61.25 1igb n THR 181 Cb 0.06 0.84 0.08 0.00 -2.10 0.00 0.00 70.33 69.21 1igb n THR 181 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1igb n ASN 182 N -0.24 1.19 -3.80 3.42 5.15 -1.26 -2.88 115.26 116.84 1igb n ASN 182 Ca 0.00 -2.64 -0.29 0.00 -0.60 0.00 0.00 54.58 51.06 1igb n ASN 182 Cb 0.30 -0.34 -0.16 0.00 -0.53 0.00 0.00 39.78 39.05 1igb n ASN 182 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1igb s TYR 183 N -1.43 1.46 -0.94 1.20 5.04 -1.26 -2.00 117.35 119.42 1igb s TYR 183 Ca 0.21 -1.16 -0.22 0.00 -2.44 0.00 0.00 57.07 53.47 1igb s TYR 183 Cb 0.21 -1.22 0.08 0.00 0.35 0.00 0.00 41.96 41.38 1igb s TYR 183 CO -0.03 -0.67 1.28 0.21 -1.34 0.00 0.00 175.55 175.01 1igb s LYS 184 N 1.71 3.54 0.00 4.97 2.20 -1.26 -4.57 119.74 126.32 1igb s LYS 184 Ca -0.02 -1.29 0.25 0.00 -0.36 0.00 0.00 55.97 54.54 1igb s LYS 184 Cb -0.18 -5.04 0.37 0.00 -1.51 0.00 0.00 37.83 31.48 1igb s LYS 184 CO -0.08 -2.01 1.33 0.41 -0.36 0.00 0.00 175.35 174.64 1igb n GLY 185 N 6.15 0.09 3.50 5.54 0.00 -1.26 -4.98 105.19 114.23 1igb n GLY 185 Ca 0.25 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 1igb n GLY 185 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1igb s SER 186 N -2.31 2.82 0.18 1.61 0.01 -1.26 -4.86 113.70 109.88 1igb s SER 186 Ca 0.25 -1.76 -0.08 0.00 1.31 0.00 0.00 55.95 55.68 1igb s SER 186 Cb 0.19 0.63 0.06 0.00 0.21 0.00 0.00 66.02 67.11 1igb s SER 186 CO 0.47 -1.02 1.55 0.00 0.41 0.00 0.00 173.24 174.65 1igb h ALA 187 N 1.74 0.71 -2.79 1.44 0.00 -1.97 -3.44 119.26 114.96 1igb h ALA 187 Ca -0.33 -0.42 -0.51 0.00 0.00 0.00 0.00 54.91 53.66 1igb h ALA 187 Cb 1.27 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.96 1igb h ALA 187 CO 0.51 0.66 0.52 -0.65 0.00 0.00 0.00 179.25 180.29 1igb s GLN 188 N -4.48 4.45 0.12 0.00 1.11 -1.26 -4.94 119.66 114.66 1igb s GLN 188 Ca -0.10 1.89 -0.15 0.00 0.01 0.00 0.00 55.36 57.01 1igb s GLN 188 Cb 0.12 -3.04 -0.03 0.00 -1.01 0.00 0.00 33.01 29.05 1igb s GLN 188 CO 0.86 0.01 1.56 -0.44 0.01 0.00 0.00 175.29 177.29 1igb h ASP 189 N 3.44 0.67 -3.56 5.90 3.32 -1.63 -3.45 116.42 121.11 1igb h ASP 189 Ca -0.48 -0.32 -0.47 0.00 0.02 0.00 0.00 57.03 55.79 1igb h ASP 189 Cb 1.22 -0.18 -0.33 0.00 0.22 0.00 0.00 39.33 40.26 1igb h ASP 189 CO 0.66 0.82 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.51 1igb s VAL 190 N -4.97 0.90 -0.13 -1.35 1.01 -0.99 -4.79 120.40 110.09 1igb s VAL 190 Ca -0.13 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1igb s VAL 190 Cb 0.10 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1igb s VAL 190 CO 0.79 0.30 -0.18 -0.69 0.00 0.00 0.00 175.10 175.31 1igb s VAL 191 N 0.57 1.79 -0.12 2.92 1.01 -0.48 -0.72 120.40 125.38 1igb s VAL 191 Ca -0.10 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1igb s VAL 191 Cb -0.13 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1igb s VAL 191 CO 0.02 0.50 0.38 -0.36 0.00 0.00 0.00 175.10 175.64 1igb s PHE 192 N 0.97 3.53 0.03 5.22 0.08 -0.20 -0.03 117.98 127.58 1igb s PHE 192 Ca -0.05 0.78 -0.26 0.00 0.12 0.00 0.00 56.93 57.51 1igb s PHE 192 Cb -0.15 -2.41 -0.05 0.00 -0.57 0.00 0.00 43.02 39.85 1igb s PHE 192 CO -0.03 0.29 0.83 0.42 -0.10 0.00 0.00 175.22 176.62 1igb s ILE 193 N 0.24 4.77 -0.45 0.64 -1.09 -1.08 -1.90 121.20 122.33 1igb s ILE 193 Ca 0.21 1.75 0.17 0.00 -2.23 0.00 0.00 60.65 60.56 1igb s ILE 193 Cb -0.14 -4.18 -0.22 0.00 -1.58 0.00 0.00 42.46 36.34 1igb s ILE 193 CO 0.08 0.30 0.57 0.35 -1.23 0.00 0.00 174.94 175.01 1igb n THR 194 N 3.17 0.00 -3.61 2.92 -2.24 0.30 -4.62 114.28 110.20 1igb n THR 194 Ca 0.00 -0.24 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 1igb n THR 194 Cb 0.50 0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 1igb n THR 194 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1igb s ASP 195 N -3.25 6.55 -1.87 3.42 -4.77 -1.26 -4.11 116.67 111.38 1igb s ASP 195 Ca 0.01 0.69 0.00 0.00 -3.30 0.00 0.00 52.55 49.94 1igb s ASP 195 Cb 0.12 -2.13 0.00 0.00 -1.09 0.00 0.00 42.92 39.82 1igb s ASP 195 CO 0.71 0.08 0.00 -1.22 0.70 0.00 0.00 175.17 175.44 1igb n TYR 196 N 0.32 -0.47 -4.34 2.11 4.01 -1.26 -4.89 117.16 112.64 1igb n TYR 196 Ca -0.04 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.52 1igb n TYR 196 Cb 0.52 -3.54 -0.10 0.00 -0.31 0.00 0.00 39.34 35.91 1igb n TYR 196 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1igb s THR 197 N -2.85 0.46 -0.26 -0.72 -4.23 -1.26 -4.39 115.64 102.39 1igb s THR 197 Ca 0.00 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.42 1igb s THR 197 Cb 0.00 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 1igb s THR 197 CO 0.00 0.00 0.13 -0.62 -0.54 0.00 0.00 174.62 173.59 1igb s ASP 198 N -3.35 5.63 0.43 3.99 2.15 -0.97 -4.94 116.67 119.60 1igb s ASP 198 Ca 0.36 -0.09 0.09 0.00 0.43 0.00 0.00 52.55 53.35 1igb s ASP 198 Cb 0.06 -2.03 0.94 0.00 -0.30 0.00 0.00 42.92 41.60 1igb s ASP 198 CO 0.15 -0.03 2.06 0.77 -0.17 0.00 0.00 175.17 177.96 1igb h SER 199 N 8.21 0.34 -0.37 -0.34 4.64 -1.92 -2.44 113.55 121.67 1igb h SER 199 Ca -0.37 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 60.84 1igb h SER 199 Cb 1.18 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1igb h SER 199 CO 0.57 0.27 -0.16 0.78 -0.87 0.00 0.00 176.83 177.43 1igb h ASN 200 N 0.39 0.78 -0.30 4.97 4.21 -1.98 0.96 115.58 124.62 1igb h ASN 200 Ca 0.10 -0.39 -0.09 0.00 1.21 0.00 0.00 56.30 57.13 1igb h ASN 200 Cb 0.00 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 36.98 1igb h ASN 200 CO -0.02 1.00 -0.15 0.15 -1.29 0.00 0.00 177.43 177.12 1igb h PHE 201 N 0.56 0.72 -0.90 1.19 3.57 -1.91 -0.24 116.94 119.93 1igb h PHE 201 Ca 0.09 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1igb h PHE 201 Cb 0.69 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 1igb h PHE 201 CO 0.06 0.86 0.57 1.15 -2.23 0.00 0.00 178.31 178.72 1igb h THR 202 N 0.38 1.24 -0.32 4.41 2.02 -1.35 -2.37 112.91 116.92 1igb h THR 202 Ca 0.06 -0.48 -0.14 0.00 0.77 0.00 0.00 66.41 66.63 1igb h THR 202 Cb 0.68 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1igb h THR 202 CO 0.05 0.24 -0.37 1.56 0.37 0.00 0.00 175.52 177.37 1igb h GLN 203 N 1.23 0.73 -0.81 6.66 1.08 -0.61 -2.87 115.11 120.53 1igb h GLN 203 Ca 0.33 -0.36 0.09 0.00 -1.45 0.00 0.00 58.65 57.25 1igb h GLN 203 Cb -0.10 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.26 1igb h GLN 203 CO -0.07 0.98 0.46 -0.92 -0.95 0.00 0.00 178.83 178.33 1igb h TYR 204 N 0.60 0.84 -0.00 2.96 3.20 -0.57 -2.03 116.97 121.98 1igb h TYR 204 Ca 0.06 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 1igb h TYR 204 Cb 0.90 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1igb h TYR 204 CO 0.05 0.36 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.49 1igb h LEU 205 N 0.79 0.00 -1.11 2.82 3.38 -1.23 0.92 115.31 120.88 1igb h LEU 205 Ca 0.38 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.29 1igb h LEU 205 Cb 0.32 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1igb h LEU 205 CO -0.23 0.36 -0.31 0.71 0.09 0.00 0.00 178.44 179.06 1igb h THR 206 N 0.00 0.79 -0.02 0.22 1.35 -1.18 -2.84 112.91 111.23 1igb h THR 206 Ca -0.00 -1.29 -0.24 0.00 -0.55 0.00 0.00 66.41 64.32 1igb h THR 206 Cb 0.65 1.81 0.01 0.00 -1.73 0.00 0.00 68.15 68.88 1igb h THR 206 CO 0.05 0.30 -0.96 1.56 -0.25 0.00 0.00 175.52 176.22 1igb h GLN 207 N 0.00 0.60 -0.79 4.72 4.20 -0.44 -2.53 115.11 120.86 1igb h GLN 207 Ca -0.00 -0.61 0.07 0.00 0.06 0.00 0.00 58.65 58.17 1igb h GLN 207 Cb 0.78 0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.67 1igb h GLN 207 CO 0.04 1.22 0.52 -0.07 -0.67 0.00 0.00 178.83 179.87 1igb h LEU 208 N 0.35 0.75 0.16 1.46 3.38 -1.29 -2.33 115.31 117.78 1igb h LEU 208 Ca -0.10 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1igb h LEU 208 Cb 1.59 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 1igb h LEU 208 CO 0.18 0.48 -0.09 0.24 0.09 0.00 0.00 178.44 179.33 1igb h MET 209 N 0.85 -0.24 -0.83 1.13 2.86 -1.46 -0.32 114.93 116.92 1igb h MET 209 Ca 0.34 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 58.13 1igb h MET 209 Cb 0.26 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 31.88 1igb h MET 209 CO -0.12 -0.16 0.44 -0.44 1.06 0.00 0.00 176.91 177.69 1igb h ASP 210 N -0.24 0.55 0.01 1.22 3.32 -1.18 -0.86 116.42 119.23 1igb h ASP 210 Ca -0.02 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1igb h ASP 210 Cb 0.20 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1igb h ASP 210 CO 0.02 0.26 -0.00 -0.08 -1.72 0.00 0.00 179.24 177.72 1igb h GLU 211 N 0.66 -0.01 0.00 3.56 4.57 -1.23 -3.36 114.58 118.77 1igb h GLU 211 Ca 0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 1igb h GLU 211 Cb 0.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1igb h GLU 211 CO -0.33 0.86 -1.61 0.66 -1.18 0.00 0.00 179.01 177.41 1igb n TYR 212 N -4.66 0.00 -2.84 0.92 4.01 -0.15 -4.60 117.16 109.84 1igb n TYR 212 Ca -0.09 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.44 1igb n TYR 212 Cb 0.42 -0.32 -0.01 0.00 -0.31 0.00 0.00 39.34 39.11 1igb n TYR 212 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1igb n LEU 213 N -1.97 2.84 0.23 7.72 4.77 -0.35 -4.97 117.00 125.27 1igb n LEU 213 Ca -0.02 -4.95 0.16 0.00 -0.03 0.00 0.00 56.01 51.17 1igb n LEU 213 Cb 0.41 0.04 0.81 0.00 -2.33 0.00 0.00 43.42 42.35 1igb n LEU 213 CO 0.35 2.13 0.97 1.55 -1.33 0.00 0.00 177.39 181.06 1igb h PRO 214 N 2.90 0.00 -0.11 3.23 0.13 -1.66 -2.66 132.00 133.83 1igb h PRO 214 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1igb h PRO 214 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1igb h PRO 214 CO 0.67 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.31 1igb n SER 215 N -2.60 1.31 -4.92 1.44 3.41 -1.26 -4.91 113.62 106.09 1igb n SER 215 Ca -0.02 -1.60 -0.29 0.00 -0.26 0.00 0.00 58.87 56.71 1igb n SER 215 Cb 0.08 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 1igb n SER 215 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1igb s LEU 216 N -1.66 4.33 0.19 1.04 1.43 -1.01 -5.11 118.68 117.89 1igb s LEU 216 Ca 0.33 0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.71 1igb s LEU 216 Cb 0.18 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 1igb s LEU 216 CO 0.27 0.12 0.10 0.42 0.23 0.00 0.00 176.35 177.49 1igb s THR 217 N -1.60 4.16 0.14 5.49 -4.23 -1.26 -4.99 115.64 113.35 1igb s THR 217 Ca 0.35 -1.32 -0.06 0.00 -1.18 0.00 0.00 61.69 59.48 1igb s THR 217 Cb -0.12 -3.15 -0.02 0.00 1.34 0.00 0.00 72.50 70.55 1igb s THR 217 CO 0.28 -0.18 0.18 -0.72 -0.54 0.00 0.00 174.62 173.64 1igb s TYR 218 N -1.87 0.56 0.00 3.99 -0.85 -1.26 -1.72 117.35 116.20 1igb s TYR 218 Ca 0.30 -0.94 0.00 0.00 -0.52 0.00 0.00 57.07 55.91 1igb s TYR 218 Cb -0.09 -0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.02 1igb s TYR 218 CO 0.22 -0.62 0.00 0.41 -1.52 0.00 0.00 175.55 174.04 1igb n GLY 219 N -0.14 3.61 3.01 5.49 0.00 0.11 -4.93 105.19 112.33 1igb n GLY 219 Ca -0.07 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 1igb n GLY 219 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1igb s PHE 220 N -3.64 0.14 0.19 1.61 0.08 -1.26 -1.03 117.98 114.07 1igb s PHE 220 Ca 0.00 -0.30 -0.23 0.00 0.12 0.00 0.00 56.93 56.52 1igb s PHE 220 Cb 0.00 -0.11 0.06 0.00 -0.57 0.00 0.00 43.02 42.40 1igb s PHE 220 CO 0.00 -0.19 0.95 0.34 -0.10 0.00 0.00 175.22 176.21 1igb s ASP 221 N -1.19 -0.13 0.09 1.36 -1.08 -0.80 -4.91 116.67 110.01 1igb s ASP 221 Ca -0.13 -0.54 0.09 0.00 -0.52 0.00 0.00 52.55 51.45 1igb s ASP 221 Cb -0.08 0.54 -0.03 0.00 -1.46 0.00 0.00 42.92 41.89 1igb s ASP 221 CO -0.00 -1.02 -0.24 0.42 0.52 0.00 0.00 175.17 174.86 1igb s THR 222 N -3.02 1.95 0.03 1.71 -4.23 -1.26 -0.54 115.64 110.28 1igb s THR 222 Ca 0.14 -1.50 -0.17 0.00 -1.18 0.00 0.00 61.69 58.98 1igb s THR 222 Cb -0.02 -1.72 -0.32 0.00 1.34 0.00 0.00 72.50 71.78 1igb s THR 222 CO 0.04 0.12 1.03 0.00 -0.54 0.00 0.00 174.62 175.27 1igb n GLY 224 N 1.54 0.74 3.82 0.00 0.00 -1.26 -5.00 105.19 105.03 1igb n GLY 224 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 1igb n GLY 224 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1igb s TYR 225 N -2.63 -0.02 -0.99 1.61 1.13 -1.26 -5.09 117.35 110.10 1igb s TYR 225 Ca 0.00 -0.38 -0.22 0.00 -1.41 0.00 0.00 57.07 55.06 1igb s TYR 225 Cb 0.00 0.69 0.06 0.00 -1.10 0.00 0.00 41.96 41.62 1igb s TYR 225 CO 0.00 -0.98 1.38 0.00 -2.51 0.00 0.00 175.55 173.44 1igb s ALA 226 N -2.73 2.84 -1.82 9.51 0.00 -1.26 -4.86 121.76 123.43 1igb s ALA 226 Ca 0.16 -2.32 0.27 0.00 0.00 0.00 0.00 51.96 50.07 1igb s ALA 226 Cb -0.02 -4.42 0.85 0.00 0.00 0.00 0.00 23.12 19.52 1igb s ALA 226 CO 0.05 -3.48 1.63 0.00 0.00 0.00 0.00 175.76 173.95 1igb n SER 228 N -0.60 -1.76 0.26 0.00 2.88 -1.26 -5.06 113.62 108.08 1igb n SER 228 Ca 0.13 -2.04 0.16 0.00 -1.33 0.00 0.00 58.87 55.80 1igb n SER 228 Cb 0.34 2.89 0.89 0.00 -0.75 0.00 0.00 64.21 67.58 1igb n SER 228 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1igb h ASP 229 N 1.81 0.00 0.20 -3.46 3.32 -1.95 -1.93 116.42 114.41 1igb h ASP 229 Ca -0.27 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 1igb h ASP 229 Cb 1.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 1igb h ASP 229 CO 0.35 0.00 -0.06 1.12 -1.72 0.00 0.00 179.24 178.94 1igb h HIS 230 N 0.00 0.00 0.00 4.55 2.07 -1.92 -1.31 115.15 118.54 1igb h HIS 230 Ca 0.04 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 1igb h HIS 230 Cb 0.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.20 1igb h HIS 230 CO 0.00 0.06 0.00 0.00 -3.07 0.00 0.00 177.93 174.92 1igb n ALA 231 N -2.27 1.91 -0.01 6.11 0.00 -0.72 -1.30 120.51 124.22 1igb n ALA 231 Ca -0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 1igb n ALA 231 Cb 0.16 -1.36 -0.14 0.00 0.00 0.00 0.00 19.45 18.12 1igb n ALA 231 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1igb h SER 232 N 0.00 0.23 -0.19 0.00 0.02 -1.44 -2.04 113.55 110.13 1igb h SER 232 Ca 0.00 -0.98 -0.04 0.00 -0.84 0.00 0.00 61.79 59.94 1igb h SER 232 Cb 0.40 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1igb h SER 232 CO 0.00 1.19 -0.02 -0.50 -1.14 0.00 0.00 176.83 176.36 1igb h TRP 233 N -0.69 0.39 -0.05 3.45 4.06 -1.54 -2.18 115.95 119.39 1igb h TRP 233 Ca -0.07 -0.07 0.03 0.00 2.06 0.00 0.00 58.89 60.84 1igb h TRP 233 Cb 1.31 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 29.33 1igb h TRP 233 CO 0.24 0.57 -0.19 1.25 -3.56 0.00 0.00 178.44 176.76 1igb h HIS 234 N 0.09 -0.49 0.00 0.49 2.76 -1.27 -0.54 115.15 116.19 1igb h HIS 234 Ca 0.05 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 1igb h HIS 234 Cb 0.43 0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.62 1igb h HIS 234 CO 0.04 -0.27 -0.04 -0.91 -1.30 0.00 0.00 177.93 175.45 1igb h ASN 235 N -0.28 0.00 0.45 3.26 -0.26 -1.40 -2.25 115.58 115.10 1igb h ASN 235 Ca 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1igb h ASN 235 Cb 0.38 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 1igb h ASN 235 CO -0.21 0.04 -0.19 0.00 -1.06 0.00 0.00 177.43 176.02 1igb n ALA 236 N -2.44 2.90 0.00 -0.83 0.00 -0.82 -4.96 120.51 114.37 1igb n ALA 236 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1igb n ALA 236 Cb 0.13 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1igb n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1igb n GLY 237 N 1.36 0.67 3.91 0.00 0.00 -0.69 -5.04 105.19 105.39 1igb n GLY 237 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1igb n GLY 237 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1igb s TYR 238 N -2.00 3.48 -0.12 1.61 2.02 -0.29 -4.97 117.35 117.08 1igb s TYR 238 Ca 0.00 0.60 -0.29 0.00 -0.37 0.00 0.00 57.07 57.00 1igb s TYR 238 Cb 0.00 -2.07 -0.02 0.00 -0.40 0.00 0.00 41.96 39.46 1igb s TYR 238 CO 0.00 0.17 1.29 -2.14 -1.57 0.00 0.00 175.55 173.30 1igb s PRO 239 N -3.63 4.26 0.14 -1.71 0.02 -1.26 -3.71 135.00 129.11 1igb s PRO 239 Ca 0.43 1.72 0.09 0.00 0.02 0.00 0.00 61.00 63.26 1igb s PRO 239 Cb -0.11 -3.72 -0.04 0.00 0.02 0.00 0.00 34.50 30.66 1igb s PRO 239 CO 0.31 -0.65 -0.20 0.00 -0.33 0.00 0.00 177.00 176.12 1igb s ALA 240 N 3.17 1.99 -0.00 -1.55 0.00 -1.26 -1.03 121.76 123.07 1igb s ALA 240 Ca 0.57 -1.40 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 1igb s ALA 240 Cb -0.24 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.66 1igb s ALA 240 CO 0.18 0.33 0.21 0.00 0.00 0.00 0.00 175.76 176.48 1igb s ALA 241 N -1.57 -0.51 -0.28 0.00 0.00 -0.91 -2.29 121.76 116.20 1igb s ALA 241 Ca 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.10 1igb s ALA 241 Cb -0.08 0.11 0.09 0.00 0.00 0.00 0.00 23.12 23.24 1igb s ALA 241 CO 0.06 -0.24 0.09 1.41 0.00 0.00 0.00 175.76 177.08 1igb s MET 242 N -1.44 0.59 -0.18 0.00 1.75 -1.26 -2.09 119.30 116.68 1igb s MET 242 Ca -0.14 -0.80 -0.29 0.00 -1.25 0.00 0.00 55.69 53.21 1igb s MET 242 Cb -0.06 -1.85 -0.03 0.00 2.84 0.00 0.00 34.83 35.73 1igb s MET 242 CO 0.02 -0.91 1.49 -2.14 -0.65 0.00 0.00 175.02 172.84 1igb s PRO 243 N 1.78 4.00 0.28 4.11 0.02 -1.25 -2.64 135.00 141.30 1igb s PRO 243 Ca 0.07 1.71 0.09 0.00 0.02 0.00 0.00 61.00 62.89 1igb s PRO 243 Cb -0.17 -3.93 -0.04 0.00 0.02 0.00 0.00 34.50 30.37 1igb s PRO 243 CO -0.23 -1.03 0.07 0.12 -0.33 0.00 0.00 177.00 175.60 1igb s PHE 244 N 4.40 2.78 -0.73 6.54 5.36 0.95 -4.54 117.98 132.75 1igb s PHE 244 Ca 0.65 -0.24 0.23 0.00 -0.96 0.00 0.00 56.93 56.62 1igb s PHE 244 Cb -0.25 -1.34 0.90 0.00 -0.34 0.00 0.00 43.02 42.00 1igb s PHE 244 CO 0.25 0.54 1.72 -0.85 -1.46 0.00 0.00 175.22 175.41 1igb n GLU 245 N -1.01 0.15 -3.09 10.12 0.28 -1.12 -1.38 120.64 124.59 1igb n GLU 245 Ca -0.06 0.27 -0.02 0.00 -0.16 0.00 0.00 57.16 57.19 1igb n GLU 245 Cb 0.59 -1.73 0.01 0.00 1.43 0.00 0.00 31.44 31.75 1igb n GLU 245 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1igb n SER 246 N -2.00 -1.12 -4.82 -1.84 3.41 -1.26 -3.98 113.62 102.02 1igb n SER 246 Ca 0.04 -1.55 -0.31 0.00 -0.26 0.00 0.00 58.87 56.79 1igb n SER 246 Cb 0.29 1.81 0.04 0.00 -0.26 0.00 0.00 64.21 66.09 1igb n SER 246 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1igb s LYS 247 N -2.03 3.12 0.09 4.33 -0.14 -1.26 -4.70 119.74 119.15 1igb s LYS 247 Ca 0.16 0.97 -0.32 0.00 -1.36 0.00 0.00 55.97 55.42 1igb s LYS 247 Cb -0.02 -2.01 -0.14 0.00 -1.68 0.00 0.00 37.83 33.98 1igb s LYS 247 CO 0.03 -0.95 1.50 0.35 -0.76 0.00 0.00 175.35 175.52 1igb h PHE 248 N -0.42 -1.38 0.00 3.18 3.04 -1.95 -1.31 116.94 118.10 1igb h PHE 248 Ca -0.44 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.54 1igb h PHE 248 Cb 1.21 0.58 0.00 0.00 2.56 0.00 0.00 35.95 40.30 1igb h PHE 248 CO 0.62 -0.56 0.00 0.27 -2.02 0.00 0.00 178.31 176.62 1igb n ASN 249 N -5.20 0.08 0.00 0.41 2.04 -1.26 -3.09 115.26 108.24 1igb n ASN 249 Ca -0.08 -1.37 0.00 0.00 -0.44 0.00 0.00 54.58 52.68 1igb n ASN 249 Cb 0.38 -0.04 0.00 0.00 -2.53 0.00 0.00 39.78 37.59 1igb n ASN 249 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1igb n ASP 250 N -0.42 1.55 -4.85 0.53 8.00 -0.52 -5.07 116.55 115.77 1igb n ASP 250 Ca 0.00 -1.77 -0.31 0.00 0.71 0.00 0.00 54.79 53.42 1igb n ASP 250 Cb 0.02 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.16 1igb n ASP 250 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1igb s TYR 251 N -0.77 3.32 -0.50 1.24 -0.85 -1.03 -4.45 117.35 114.32 1igb s TYR 251 Ca 0.00 1.31 -0.36 0.00 -0.52 0.00 0.00 57.07 57.50 1igb s TYR 251 Cb 0.00 -2.85 -0.17 0.00 0.38 0.00 0.00 41.96 39.32 1igb s TYR 251 CO 0.00 -1.05 1.92 -1.71 -1.52 0.00 0.00 175.55 173.19 1igb n ASN 252 N -2.99 0.59 0.00 -0.18 4.05 -1.26 -4.81 115.26 110.66 1igb n ASN 252 Ca 0.07 0.52 0.11 0.00 0.45 0.00 0.00 54.58 55.73 1igb n ASN 252 Cb 0.54 -0.78 0.55 0.00 1.23 0.00 0.00 39.78 41.32 1igb n ASN 252 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1igb n PRO 253 N 6.60 0.24 0.00 1.20 -0.04 -1.26 -2.91 135.00 138.82 1igb n PRO 253 Ca 0.49 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 1igb n PRO 253 Cb -0.03 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.13 1igb n PRO 253 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1igb n ARG 254 N -1.34 0.58 -1.96 0.54 3.00 -1.26 -4.97 116.66 111.24 1igb n ARG 254 Ca 0.09 -0.40 -0.37 0.00 -0.01 0.00 0.00 57.85 57.17 1igb n ARG 254 Cb 0.20 -1.49 0.03 0.00 0.00 0.00 0.00 32.46 31.20 1igb n ARG 254 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1igb s ILE 255 N -2.70 2.48 -0.96 0.55 -4.36 -1.15 -2.85 121.20 112.21 1igb s ILE 255 Ca 0.17 0.33 0.00 0.00 -0.26 0.00 0.00 60.65 60.89 1igb s ILE 255 Cb 0.18 -3.15 0.00 0.00 1.25 0.00 0.00 42.46 40.74 1igb s ILE 255 CO 0.63 -0.04 0.00 1.41 0.24 0.00 0.00 174.94 177.18 1igb n HIS 256 N -1.25 -0.52 -4.17 1.37 8.25 -1.26 -5.02 115.22 112.62 1igb n HIS 256 Ca 0.12 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.43 1igb n HIS 256 Cb 0.48 -2.58 -0.07 0.00 1.12 0.00 0.00 29.99 28.93 1igb n HIS 256 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1igb s THR 257 N -2.55 0.00 -0.68 1.59 -4.23 -1.13 -4.41 115.64 104.22 1igb s THR 257 Ca 0.00 -1.82 0.17 0.00 -1.18 0.00 0.00 61.69 58.86 1igb s THR 257 Cb 0.00 -2.50 0.17 0.00 1.34 0.00 0.00 72.50 71.52 1igb s THR 257 CO 0.00 0.00 1.54 0.35 -0.54 0.00 0.00 174.62 175.97 1igb n THR 258 N -0.46 1.05 -0.65 3.99 -2.24 -1.26 -3.70 114.28 111.00 1igb n THR 258 Ca 0.03 0.33 0.07 0.00 -2.27 0.00 0.00 64.05 62.22 1igb n THR 258 Cb 0.63 -1.22 0.36 0.00 -2.10 0.00 0.00 70.33 68.01 1igb n THR 258 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1igb n GLN 259 N -1.90 4.24 -2.60 -0.78 1.13 -1.26 -4.59 117.38 111.62 1igb n GLN 259 Ca 0.02 -2.85 -0.43 0.00 -1.94 0.00 0.00 57.00 51.79 1igb n GLN 259 Cb 0.16 -2.08 0.00 0.00 0.11 0.00 0.00 30.24 28.43 1igb n GLN 259 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1igb n ASP 260 N 0.77 5.00 -4.73 1.08 -0.08 -1.24 -4.79 116.55 112.56 1igb n ASP 260 Ca 0.25 -2.99 -0.25 0.00 -1.51 0.00 0.00 54.79 50.30 1igb n ASP 260 Cb 1.03 -1.59 -0.07 0.00 2.34 0.00 0.00 41.12 42.82 1igb n ASP 260 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1igb s THR 261 N 1.90 2.39 0.20 5.18 -4.23 -1.26 -1.26 115.64 118.57 1igb s THR 261 Ca 0.44 -1.72 -0.10 0.00 -1.18 0.00 0.00 61.69 59.13 1igb s THR 261 Cb 0.03 -2.98 0.13 0.00 1.34 0.00 0.00 72.50 71.03 1igb s THR 261 CO 0.01 -0.03 1.80 0.25 -0.54 0.00 0.00 174.62 176.11 1igb h LEU 262 N 1.47 0.50 -1.74 4.79 5.85 -1.93 -2.31 115.31 121.94 1igb h LEU 262 Ca -0.43 0.03 0.19 0.00 0.84 0.00 0.00 57.88 58.51 1igb h LEU 262 Cb 1.25 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 1igb h LEU 262 CO 0.69 0.33 0.54 0.00 -0.34 0.00 0.00 178.44 179.66 1igb h ALA 263 N 1.34 2.39 -0.14 1.25 0.00 -1.96 -2.17 119.26 119.97 1igb h ALA 263 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1igb h ALA 263 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1igb h ALA 263 CO -0.18 -0.62 0.00 0.09 0.00 0.00 0.00 179.25 178.54 1igb n ASN 264 N -4.42 2.37 0.00 0.00 3.02 -0.88 -4.72 115.26 110.63 1igb n ASN 264 Ca 0.16 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.91 1igb n ASN 264 Cb 0.70 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1igb n ASN 264 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1igb n SER 265 N 0.82 0.00 -3.53 6.41 3.41 -0.83 -4.94 113.62 114.96 1igb n SER 265 Ca 0.17 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.51 1igb n SER 265 Cb 0.47 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.27 1igb n SER 265 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1igb s ASP 266 N 1.00 3.08 0.00 4.04 -1.08 -0.85 -4.79 116.67 118.08 1igb s ASP 266 Ca 0.00 -1.10 0.24 0.00 -0.52 0.00 0.00 52.55 51.17 1igb s ASP 266 Cb 0.00 -0.21 1.27 0.00 -1.46 0.00 0.00 42.92 42.52 1igb s ASP 266 CO 0.00 -0.42 1.79 -2.65 0.52 0.00 0.00 175.17 174.41 1igb n PRO 267 N 5.26 0.47 0.05 4.34 -0.02 -1.24 -2.58 135.00 141.28 1igb n PRO 267 Ca -0.06 0.05 0.12 0.00 -2.02 0.00 0.00 63.50 61.59 1igb n PRO 267 Cb 0.44 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 32.53 1igb n PRO 267 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1igb n THR 268 N -1.20 0.30 -1.00 3.45 -2.24 -1.26 -4.95 114.28 107.38 1igb n THR 268 Ca 0.13 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1igb n THR 268 Cb 0.15 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1igb n THR 268 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1igb n GLY 269 N 1.34 0.47 0.14 3.38 0.00 -1.06 -4.73 105.19 104.72 1igb n GLY 269 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1igb n GLY 269 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1igb h SER 270 N 0.00 0.36 -0.06 1.61 0.02 -1.93 -1.09 113.55 112.47 1igb h SER 270 Ca 0.00 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 1igb h SER 270 Cb 0.07 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1igb h SER 270 CO 0.00 0.46 -0.10 -0.74 -1.14 0.00 0.00 176.83 175.31 1igb h HIS 271 N 0.24 0.21 0.00 3.45 6.17 -1.89 -3.09 115.15 120.24 1igb h HIS 271 Ca 0.08 -0.07 -0.03 0.00 0.71 0.00 0.00 60.37 61.06 1igb h HIS 271 Cb 0.23 -0.04 -0.00 0.00 2.52 0.00 0.00 27.41 30.12 1igb h HIS 271 CO 0.00 0.68 -0.13 0.00 0.71 0.00 0.00 177.93 179.20 1igb h ALA 272 N 0.49 1.58 0.00 5.26 0.00 -1.58 -1.51 119.26 123.49 1igb h ALA 272 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1igb h ALA 272 Cb 0.67 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1igb h ALA 272 CO 0.02 0.16 -0.11 -0.22 0.00 0.00 0.00 179.25 179.10 1igb h LYS 273 N 0.00 0.00 0.26 0.00 3.64 -1.10 -1.16 116.57 118.21 1igb h LYS 273 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1igb h LYS 273 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1igb h LYS 273 CO 0.02 0.11 -0.13 0.87 -2.27 0.00 0.00 179.45 178.05 1igb h LYS 274 N 0.00 -0.34 0.00 1.90 1.57 -1.28 -0.42 116.57 118.00 1igb h LYS 274 Ca -0.00 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1igb h LYS 274 Cb 0.24 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1igb h LYS 274 CO 0.01 -0.12 -0.20 0.74 -0.57 0.00 0.00 179.45 179.31 1igb h PHE 275 N -0.51 0.00 -0.02 -1.35 -1.00 -1.56 -1.73 116.94 110.78 1igb h PHE 275 Ca -0.04 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.67 1igb h PHE 275 Cb 0.38 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.94 1igb h PHE 275 CO -0.02 0.20 -0.26 1.15 -1.61 0.00 0.00 178.31 177.78 1igb h THR 276 N 0.00 1.50 -0.28 -1.55 2.02 -0.92 -1.79 112.91 111.89 1igb h THR 276 Ca -0.00 -1.83 -0.05 0.00 0.77 0.00 0.00 66.41 65.30 1igb h THR 276 Cb 0.44 2.60 -0.02 0.00 -1.74 0.00 0.00 68.15 69.44 1igb h THR 276 CO 0.03 0.51 -0.03 1.56 0.37 0.00 0.00 175.52 177.96 1igb h GLN 277 N -0.40 0.42 -0.30 6.66 4.20 -0.96 0.97 115.11 125.70 1igb h GLN 277 Ca -0.03 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 1igb h GLN 277 Cb 0.97 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 1igb h GLN 277 CO 0.05 0.47 -0.05 1.25 -0.67 0.00 0.00 178.83 179.88 1igb h LEU 278 N 0.41 0.57 -1.10 1.46 5.85 -1.33 -0.71 115.31 120.46 1igb h LEU 278 Ca 0.09 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.47 1igb h LEU 278 Cb 0.31 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1igb h LEU 278 CO 0.01 0.79 0.61 1.23 -0.34 0.00 0.00 178.44 180.74 1igb h GLY 279 N 0.35 1.30 1.40 3.75 0.00 -0.88 -0.61 103.07 108.38 1igb h GLY 279 Ca 0.08 -0.48 -0.20 0.00 0.00 0.00 0.00 47.33 46.73 1igb h GLY 279 CO 0.03 0.47 -0.76 -2.00 0.00 0.00 0.00 176.54 174.28 1igb h LEU 280 N 1.24 0.70 -0.51 3.11 5.85 -0.63 -1.24 115.31 123.83 1igb h LEU 280 Ca 0.34 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 1igb h LEU 280 Cb -0.13 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 1igb h LEU 280 CO -0.08 1.23 0.10 0.00 -0.34 0.00 0.00 178.44 179.34 1igb h ALA 281 N 0.76 0.67 -0.44 1.25 0.00 -0.89 -1.84 119.26 118.78 1igb h ALA 281 Ca -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1igb h ALA 281 Cb 1.36 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1igb h ALA 281 CO 0.14 0.39 0.21 -0.92 0.00 0.00 0.00 179.25 179.08 1igb h TYR 282 N 0.71 0.63 -0.37 0.00 3.20 -1.02 -1.13 116.97 118.99 1igb h TYR 282 Ca 0.16 -0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.88 1igb h TYR 282 Cb 0.38 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1igb h TYR 282 CO 0.03 0.51 -0.23 0.00 -1.64 0.00 0.00 178.16 176.83 1igb h ALA 283 N 1.06 0.53 0.09 1.82 0.00 -1.01 -0.83 119.26 120.92 1igb h ALA 283 Ca 0.15 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1igb h ALA 283 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1igb h ALA 283 CO -0.02 0.51 -0.04 0.82 0.00 0.00 0.00 179.25 180.51 1igb h ILE 284 N 0.61 1.13 0.63 0.00 2.04 -1.29 -0.76 117.51 119.86 1igb h ILE 284 Ca 0.08 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 1igb h ILE 284 Cb 0.79 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1igb h ILE 284 CO 0.06 0.22 -0.31 -0.33 0.00 0.00 0.00 178.15 177.79 1igb h GLU 285 N -0.55 -0.83 0.00 2.37 4.39 -1.26 -0.95 114.58 117.75 1igb h GLU 285 Ca -0.01 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1igb h GLU 285 Cb 0.46 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1igb h GLU 285 CO 0.02 -0.55 0.00 0.52 -1.16 0.00 0.00 179.01 177.84 1igb h MET 286 N -0.86 0.00 0.00 2.33 2.86 -1.29 -3.04 114.93 114.93 1igb h MET 286 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1igb h MET 286 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1igb h MET 286 CO 0.13 0.00 -0.66 0.78 1.06 0.00 0.00 176.91 178.23 1igb h GLY 287 N 3.11 0.00 0.44 8.32 0.00 -1.08 -3.33 103.07 110.53 1igb h GLY 287 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1igb h GLY 287 CO 0.00 0.00 -0.40 1.44 0.00 0.00 0.00 176.54 177.58 1igb n SER 288 N -2.77 0.89 -4.81 0.19 7.64 -0.37 -0.35 113.62 114.05 1igb n SER 288 Ca 0.01 -0.69 -0.25 0.00 1.01 0.00 0.00 58.87 58.95 1igb n SER 288 Cb 0.54 0.25 -0.05 0.00 -1.01 0.00 0.00 64.21 63.93 1igb n SER 288 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1igb s ALA 289 N -2.71 3.58 0.20 -0.43 0.00 -1.15 -4.79 121.76 116.46 1igb s ALA 289 Ca 0.18 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1igb s ALA 289 Cb 0.18 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.89 1igb s ALA 289 CO 0.61 0.46 0.07 0.95 0.00 0.00 0.00 175.76 177.85 1igb s THR 290 N -1.81 0.37 0.00 0.00 -4.23 -1.26 -4.35 115.64 104.36 1igb s THR 290 Ca 0.31 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 1igb s THR 290 Cb -0.10 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1igb s THR 290 CO 0.24 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.72