#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iga s ILE 2 N 0.00 2.21 -0.20 0.53 -1.09 -1.26 -4.98 121.20 116.41 3iga s ILE 2 Ca 0.00 0.19 -0.06 0.00 -2.23 0.00 0.00 60.65 58.54 3iga s ILE 2 Cb 0.00 -3.12 -0.03 0.00 -1.58 0.00 0.00 42.46 37.73 3iga s ILE 2 CO 0.00 0.03 0.04 -0.22 -1.23 0.00 0.00 174.94 173.57 3iga s LEU 3 N -0.84 3.53 -0.26 2.97 2.96 -1.26 -4.82 118.68 120.95 3iga s LEU 3 Ca 0.60 -0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 54.35 3iga s LEU 3 Cb -0.46 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 3iga s LEU 3 CO 0.50 0.09 0.07 -0.76 -1.32 0.00 0.00 176.35 174.93 3iga s LEU 4 N 0.89 3.54 -0.35 -0.68 1.43 -1.26 -0.94 118.68 121.31 3iga s LEU 4 Ca 0.03 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 3iga s LEU 4 Cb -0.14 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.17 3iga s LEU 4 CO 0.02 -0.07 0.21 -0.89 0.23 0.00 0.00 176.35 175.85 3iga s THR 5 N 1.59 4.86 -0.25 5.49 2.01 0.05 -4.02 115.64 125.38 3iga s THR 5 Ca 0.06 -0.53 -0.09 0.00 0.31 0.00 0.00 61.69 61.43 3iga s THR 5 Cb -0.16 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 3iga s THR 5 CO 0.03 -0.10 0.12 -1.10 -0.69 0.00 0.00 174.62 172.88 3iga s GLN 6 N 1.63 3.86 -0.25 4.92 -0.21 -1.26 -1.65 119.66 126.70 3iga s GLN 6 Ca 0.04 -0.38 -0.22 0.00 0.02 0.00 0.00 55.36 54.83 3iga s GLN 6 Cb -0.18 -3.44 0.07 0.00 1.00 0.00 0.00 33.01 30.46 3iga s GLN 6 CO 0.08 -0.07 0.65 0.45 -2.12 0.00 0.00 175.29 174.28 3iga s SER 7 N 1.37 -0.71 0.88 5.90 0.15 -1.22 -4.39 113.70 115.68 3iga s SER 7 Ca 0.06 1.33 -0.11 0.00 0.70 0.00 0.00 55.95 57.93 3iga s SER 7 Cb -0.15 1.33 0.12 0.00 -1.71 0.00 0.00 66.02 65.62 3iga s SER 7 CO 0.05 -0.23 1.09 -2.16 1.20 0.00 0.00 173.24 173.20 3iga s PRO 8 N 0.50 1.35 0.12 5.44 0.04 -1.26 -4.35 135.00 136.83 3iga s PRO 8 Ca -0.01 0.91 -0.07 0.00 0.04 0.00 0.00 61.00 61.87 3iga s PRO 8 Cb -0.05 -1.81 -0.12 0.00 0.04 0.00 0.00 34.50 32.56 3iga s PRO 8 CO -0.01 -2.20 1.29 0.00 0.04 0.00 0.00 177.00 176.11 3iga h ALA 9 N -1.53 0.32 -4.47 8.56 0.00 -1.84 -3.44 119.26 116.87 3iga h ALA 9 Ca -0.49 -0.69 -0.66 0.00 0.00 0.00 0.00 54.91 53.07 3iga h ALA 9 Cb 1.28 -0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.76 3iga h ALA 9 CO 0.53 0.77 -0.87 0.42 0.00 0.00 0.00 179.25 180.10 3iga s ILE 10 N -3.34 1.87 -0.08 0.00 1.01 -1.26 0.43 121.20 119.84 3iga s ILE 10 Ca -0.07 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.59 3iga s ILE 10 Cb 0.08 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 41.01 3iga s ILE 10 CO 0.88 0.53 -0.14 -0.22 0.00 0.00 0.00 174.94 175.99 3iga s LEU 11 N -0.51 1.70 -0.17 2.97 2.96 -0.00 -4.93 118.68 120.69 3iga s LEU 11 Ca 0.08 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3iga s LEU 11 Cb -0.10 -0.95 -0.00 0.00 0.50 0.00 0.00 46.19 45.64 3iga s LEU 11 CO -0.00 0.04 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.51 3iga s SER 12 N 0.71 3.89 0.09 3.68 0.01 -1.25 0.41 113.70 121.25 3iga s SER 12 Ca -0.13 -0.43 -0.00 0.00 1.31 0.00 0.00 55.95 56.70 3iga s SER 12 Cb -0.16 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.41 3iga s SER 12 CO 0.03 0.07 -0.02 0.54 0.41 0.00 0.00 173.24 174.27 3iga s VAL 13 N 0.94 0.35 -0.02 3.43 0.11 0.71 -4.99 120.40 120.93 3iga s VAL 13 Ca -0.02 -1.87 -0.13 0.00 -2.93 0.00 0.00 61.98 57.03 3iga s VAL 13 Cb -0.15 -1.70 -0.05 0.00 -1.53 0.00 0.00 36.38 32.95 3iga s VAL 13 CO -0.01 -0.83 0.36 -0.44 -3.33 0.00 0.00 175.10 170.85 3iga s SER 14 N -2.99 6.73 0.25 3.54 0.01 -1.26 -0.13 113.70 119.84 3iga s SER 14 Ca 0.13 0.87 -0.27 0.00 1.31 0.00 0.00 55.95 57.98 3iga s SER 14 Cb 0.07 -2.21 -0.16 0.00 0.21 0.00 0.00 66.02 63.92 3iga s SER 14 CO -0.06 0.34 0.54 -2.65 0.41 0.00 0.00 173.24 171.81 3iga n PRO 15 N 1.81 0.21 0.00 12.44 -0.02 -1.26 -1.47 135.00 146.71 3iga n PRO 15 Ca -0.15 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3iga n PRO 15 Cb 0.53 -1.14 0.00 0.00 -0.02 0.00 0.00 33.50 32.87 3iga n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iga n GLY 16 N 1.92 2.90 3.80 -1.23 0.00 0.57 -4.88 105.19 108.28 3iga n GLY 16 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3iga n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iga s GLU 17 N -0.08 2.89 0.03 1.61 2.56 -0.54 -2.64 118.70 122.52 3iga s GLU 17 Ca 0.00 1.13 -0.22 0.00 0.00 0.00 0.00 54.97 55.88 3iga s GLU 17 Cb 0.00 -1.98 -0.06 0.00 2.00 0.00 0.00 34.13 34.10 3iga s GLU 17 CO 0.00 -1.15 0.67 0.50 -0.56 0.00 0.00 175.26 174.72 3iga s ARG 18 N -4.60 4.39 0.06 4.30 3.52 -1.26 -1.36 118.95 124.00 3iga s ARG 18 Ca 0.61 0.88 0.07 0.00 -0.13 0.00 0.00 55.73 57.16 3iga s ARG 18 Cb -0.16 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 3iga s ARG 18 CO 0.48 0.36 -0.18 0.54 -0.81 0.00 0.00 175.30 175.69 3iga s VAL 19 N -0.23 1.46 -0.17 7.11 0.11 -0.64 -4.97 120.40 123.08 3iga s VAL 19 Ca 0.34 -1.24 -0.00 0.00 -2.93 0.00 0.00 61.98 58.15 3iga s VAL 19 Cb -0.19 -1.31 0.04 0.00 -1.53 0.00 0.00 36.38 33.38 3iga s VAL 19 CO 0.20 0.04 -0.08 -0.44 -3.33 0.00 0.00 175.10 171.49 3iga s SER 20 N -1.41 2.89 0.10 3.54 0.01 -1.26 -1.12 113.70 116.45 3iga s SER 20 Ca 0.05 -0.67 -0.15 0.00 1.31 0.00 0.00 55.95 56.48 3iga s SER 20 Cb -0.09 -1.01 -0.07 0.00 0.21 0.00 0.00 66.02 65.06 3iga s SER 20 CO 0.02 -0.16 0.53 -0.36 0.41 0.00 0.00 173.24 173.69 3iga s PHE 21 N 1.57 3.68 -0.03 2.43 0.40 0.14 -4.91 117.98 121.26 3iga s PHE 21 Ca 0.01 1.10 0.06 0.00 -0.60 0.00 0.00 56.93 57.50 3iga s PHE 21 Cb -0.15 -2.38 -0.02 0.00 0.51 0.00 0.00 43.02 40.97 3iga s PHE 21 CO -0.08 0.51 -0.19 0.45 0.70 0.00 0.00 175.22 176.60 3iga s SER 22 N -1.47 3.63 -0.07 1.36 0.15 -1.26 -0.90 113.70 115.14 3iga s SER 22 Ca 0.33 -0.33 -0.02 0.00 0.70 0.00 0.00 55.95 56.63 3iga s SER 22 Cb -0.16 -0.62 0.04 0.00 -1.71 0.00 0.00 66.02 63.56 3iga s SER 22 CO 0.18 0.33 0.06 0.00 1.20 0.00 0.00 173.24 175.01 3iga s ARG 24 N 2.14 3.18 0.17 0.00 1.70 -0.66 -1.50 118.95 123.98 3iga s ARG 24 Ca 0.04 -0.77 -0.18 0.00 -0.47 0.00 0.00 55.73 54.35 3iga s ARG 24 Cb -0.13 -2.58 -0.08 0.00 -0.57 0.00 0.00 34.95 31.60 3iga s ARG 24 CO -0.04 0.03 0.65 0.00 -1.08 0.00 0.00 175.30 174.86 3iga s ALA 25 N 0.76 3.50 -2.00 7.88 0.00 -0.55 -0.77 121.76 130.58 3iga s ALA 25 Ca -0.07 0.07 0.10 0.00 0.00 0.00 0.00 51.96 52.06 3iga s ALA 25 Cb -0.16 -2.71 0.60 0.00 0.00 0.00 0.00 23.12 20.85 3iga s ALA 25 CO 0.00 0.38 1.04 -1.13 0.00 0.00 0.00 175.76 176.05 3iga n SER 26 N 1.00 0.00 -3.58 0.00 3.41 -0.11 -4.68 113.62 109.66 3iga n SER 26 Ca -0.05 -0.33 -0.09 0.00 -0.26 0.00 0.00 58.87 58.15 3iga n SER 26 Cb 0.51 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 3iga n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iga s GLN 27 N -2.00 0.54 -0.07 4.33 -2.07 -1.26 -4.95 119.66 114.17 3iga s GLN 27 Ca 0.15 0.04 -0.36 0.00 -1.82 0.00 0.00 55.36 53.37 3iga s GLN 27 Cb 0.07 0.25 -0.14 0.00 -1.09 0.00 0.00 33.01 32.10 3iga s GLN 27 CO 0.12 -0.19 1.71 0.45 -1.32 0.00 0.00 175.29 176.05 3iga n SER 28 N 0.49 2.80 -0.54 12.60 2.88 -1.25 -4.67 113.62 125.93 3iga n SER 28 Ca -0.08 1.04 0.06 0.00 -1.33 0.00 0.00 58.87 58.56 3iga n SER 28 Cb 0.59 -1.29 0.10 0.00 -0.75 0.00 0.00 64.21 62.87 3iga n SER 28 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3iga n ILE 29 N 4.28 1.21 0.00 2.46 -5.35 0.25 -4.97 119.36 117.24 3iga n ILE 29 Ca 0.22 -1.77 0.00 0.00 -0.27 0.00 0.00 62.75 60.93 3iga n ILE 29 Cb 0.23 0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.27 3iga n ILE 29 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iga n GLY 30 N -0.70 3.03 0.38 3.28 0.00 -1.26 -2.24 105.19 107.68 3iga n GLY 30 Ca 0.11 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.00 3iga n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iga n THR 31 N 0.00 1.32 -0.95 2.61 -2.24 -1.26 0.64 114.28 114.40 3iga n THR 31 Ca 0.00 -1.76 -0.11 0.00 -2.27 0.00 0.00 64.05 59.91 3iga n THR 31 Cb 0.00 0.04 -0.16 0.00 -2.10 0.00 0.00 70.33 68.12 3iga n THR 31 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3iga n ASP 32 N -0.87 5.11 -4.43 3.42 10.43 -0.95 -3.00 116.55 126.26 3iga n ASP 32 Ca 0.12 -2.45 -0.28 0.00 2.57 0.00 0.00 54.79 54.75 3iga n ASP 32 Cb 0.70 -1.37 -0.12 0.00 1.84 0.00 0.00 41.12 42.18 3iga n ASP 32 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 3iga s ILE 33 N 1.00 2.42 -0.01 0.53 1.10 -1.26 -1.02 121.20 123.97 3iga s ILE 33 Ca 0.62 -1.87 -0.06 0.00 -0.51 0.00 0.00 60.65 58.82 3iga s ILE 33 Cb 0.30 -2.13 0.00 0.00 0.15 0.00 0.00 42.46 40.78 3iga s ILE 33 CO 0.00 -0.03 0.14 -1.00 -2.11 0.00 0.00 174.94 171.94 3iga s HIS 34 N -1.43 -0.01 -0.01 3.50 3.76 0.50 -0.45 115.29 121.14 3iga s HIS 34 Ca 0.19 0.01 0.04 0.00 -0.15 0.00 0.00 55.06 55.15 3iga s HIS 34 Cb -0.09 -0.02 -0.03 0.00 1.11 0.00 0.00 32.58 33.55 3iga s HIS 34 CO 0.09 -0.22 -0.11 -1.58 -0.85 0.00 0.00 174.74 172.07 3iga s TRP 35 N -0.95 2.78 0.07 1.40 0.52 0.48 -1.21 118.94 122.03 3iga s TRP 35 Ca -0.10 -0.11 0.06 0.00 0.02 0.00 0.00 56.10 55.97 3iga s TRP 35 Cb -0.06 -1.60 -0.03 0.00 -1.15 0.00 0.00 33.47 30.63 3iga s TRP 35 CO 0.01 0.29 -0.16 0.71 0.02 0.00 0.00 176.95 177.82 3iga s TYR 36 N -0.88 1.39 -0.05 -1.98 1.51 -0.63 0.36 117.35 117.07 3iga s TYR 36 Ca 0.14 -0.42 0.05 0.00 -1.01 0.00 0.00 57.07 55.83 3iga s TYR 36 Cb -0.11 -0.79 -0.02 0.00 -0.11 0.00 0.00 41.96 40.93 3iga s TYR 36 CO 0.04 0.09 -0.17 -1.14 -1.11 0.00 0.00 175.55 173.26 3iga s GLN 37 N -1.62 2.44 -0.11 -0.62 0.74 0.05 -1.96 119.66 118.59 3iga s GLN 37 Ca 0.01 -0.76 -0.03 0.00 0.05 0.00 0.00 55.36 54.63 3iga s GLN 37 Cb -0.09 -2.30 0.04 0.00 1.10 0.00 0.00 33.01 31.76 3iga s GLN 37 CO 0.02 0.59 0.06 -1.14 -0.55 0.00 0.00 175.29 174.27 3iga s GLN 38 N -0.65 0.11 0.49 1.67 0.74 0.39 -0.03 119.66 122.39 3iga s GLN 38 Ca 0.10 0.11 -0.02 0.00 0.05 0.00 0.00 55.36 55.59 3iga s GLN 38 Cb -0.11 -1.20 -0.01 0.00 1.10 0.00 0.00 33.01 32.79 3iga s GLN 38 CO 0.00 -0.48 0.75 1.03 -0.55 0.00 0.00 175.29 176.04 3iga s ARG 39 N 2.11 3.14 0.14 1.67 0.52 -1.26 0.13 118.95 125.40 3iga s ARG 39 Ca 0.03 -0.22 -0.34 0.00 -0.52 0.00 0.00 55.73 54.68 3iga s ARG 39 Cb -0.14 -2.45 -0.16 0.00 0.52 0.00 0.00 34.95 32.72 3iga s ARG 39 CO -0.06 -0.35 1.29 2.41 0.02 0.00 0.00 175.30 178.60 3iga n THR 40 N -2.23 0.48 -0.74 0.02 -1.04 -1.26 -1.03 114.28 108.47 3iga n THR 40 Ca 0.02 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 3iga n THR 40 Cb 0.57 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 3iga n THR 40 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3iga n ASN 41 N 2.34 -1.93 -4.85 8.00 3.02 -1.26 -4.96 115.26 115.61 3iga n ASN 41 Ca 0.16 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.50 3iga n ASN 41 Cb 0.23 -2.34 -0.04 0.00 -0.61 0.00 0.00 39.78 37.02 3iga n ASN 41 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3iga s GLY 42 N -2.00 2.04 0.49 7.41 0.00 -0.20 -5.13 107.32 109.93 3iga s GLY 42 Ca 0.00 -1.83 0.03 0.00 0.00 0.00 0.00 44.72 42.91 3iga s GLY 42 CO 0.00 -1.68 0.70 -1.35 0.00 0.00 0.00 173.10 170.76 3iga s SER 43 N -4.07 5.51 0.61 1.64 1.04 -1.26 -4.55 113.70 112.62 3iga s SER 43 Ca 0.45 -0.04 -0.19 0.00 0.48 0.00 0.00 55.95 56.65 3iga s SER 43 Cb -0.03 -0.99 -0.03 0.00 0.10 0.00 0.00 66.02 65.07 3iga s SER 43 CO 0.27 -0.93 1.28 -2.84 0.98 0.00 0.00 173.24 171.99 3iga s PRO 44 N -4.60 2.79 -0.11 4.02 0.02 -1.26 -4.57 135.00 131.29 3iga s PRO 44 Ca 0.54 2.02 -0.02 0.00 0.02 0.00 0.00 61.00 63.57 3iga s PRO 44 Cb -0.10 -1.95 0.04 0.00 0.02 0.00 0.00 34.50 32.51 3iga s PRO 44 CO 0.37 -1.40 0.01 0.50 -0.33 0.00 0.00 177.00 176.15 3iga s ARG 45 N -3.27 0.67 -0.07 5.54 3.52 0.96 -4.89 118.95 121.41 3iga s ARG 45 Ca 0.79 -0.06 -0.35 0.00 -0.13 0.00 0.00 55.73 55.98 3iga s ARG 45 Cb -0.36 -1.33 -0.12 0.00 -1.56 0.00 0.00 34.95 31.57 3iga s ARG 45 CO 0.39 -0.40 1.82 -0.11 -0.81 0.00 0.00 175.30 176.19 3iga n LEU 46 N 5.11 3.27 -0.07 -0.88 0.00 -1.26 -0.77 117.00 122.41 3iga n LEU 46 Ca -0.08 1.00 -0.09 0.00 0.00 0.00 0.00 56.01 56.84 3iga n LEU 46 Cb 0.49 -1.35 -0.06 0.00 0.00 0.00 0.00 43.42 42.49 3iga n LEU 46 CO 0.12 -0.14 -0.93 0.18 0.00 0.00 0.00 177.39 176.62 3iga n LEU 47 N 5.99 2.66 -3.74 -1.96 4.77 0.16 -4.91 117.00 119.96 3iga n LEU 47 Ca 0.22 -0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 3iga n LEU 47 Cb 0.28 -0.39 -0.13 0.00 -2.33 0.00 0.00 43.42 40.85 3iga n LEU 47 CO 0.72 0.68 -0.11 -0.63 -1.33 0.00 0.00 177.39 176.72 3iga s ILE 48 N -2.27 -0.03 0.10 -0.08 -1.09 -1.18 -4.07 121.20 112.58 3iga s ILE 48 Ca -0.17 0.11 0.07 0.00 -2.23 0.00 0.00 60.65 58.43 3iga s ILE 48 Cb 0.04 -0.37 -0.04 0.00 -1.58 0.00 0.00 42.46 40.51 3iga s ILE 48 CO 0.32 0.04 -0.13 -1.59 -1.23 0.00 0.00 174.94 172.36 3iga s LYS 49 N 0.96 2.04 -1.55 2.79 -2.85 -0.64 -0.38 119.74 120.10 3iga s LYS 49 Ca -0.07 -1.06 -0.14 0.00 -1.00 0.00 0.00 55.97 53.71 3iga s LYS 49 Cb -0.08 -2.25 0.09 0.00 -2.06 0.00 0.00 37.83 33.53 3iga s LYS 49 CO -0.06 0.51 0.94 0.66 0.10 0.00 0.00 175.35 177.49 3iga n TYR 50 N 0.82 -2.19 0.00 1.78 4.01 -0.79 -1.69 117.16 119.10 3iga n TYR 50 Ca -0.14 0.89 0.00 0.00 -0.16 0.00 0.00 57.90 58.48 3iga n TYR 50 Cb 0.52 -3.83 0.00 0.00 -0.31 0.00 0.00 39.34 35.72 3iga n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3iga n ALA 51 N -4.62 0.00 0.14 -0.72 0.00 0.41 -4.28 120.51 111.44 3iga n ALA 51 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.49 3iga n ALA 51 Cb 0.53 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.04 3iga n ALA 51 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3iga h SER 52 N 0.00 0.00 -2.15 0.00 4.64 -1.72 -3.40 113.55 110.92 3iga h SER 52 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 3iga h SER 52 Cb 0.00 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.14 3iga h SER 52 CO 0.00 0.50 0.77 -0.62 -0.87 0.00 0.00 176.83 176.61 3iga n GLU 53 N -3.27 1.98 -1.97 4.77 1.02 -0.68 -4.47 120.64 118.02 3iga n GLU 53 Ca 0.02 0.72 -0.30 0.00 -0.02 0.00 0.00 57.16 57.57 3iga n GLU 53 Cb 0.71 -2.47 0.03 0.00 -0.02 0.00 0.00 31.44 29.69 3iga n GLU 53 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3iga s SER 54 N 1.13 5.76 -0.07 1.62 1.04 -1.26 -1.62 113.70 120.30 3iga s SER 54 Ca 0.81 1.17 0.04 0.00 0.48 0.00 0.00 55.95 58.45 3iga s SER 54 Cb -0.73 -2.10 -0.01 0.00 0.10 0.00 0.00 66.02 63.28 3iga s SER 54 CO 0.41 -1.12 -0.20 -0.63 0.98 0.00 0.00 173.24 172.68 3iga s ILE 55 N -3.23 2.49 0.36 -1.02 -1.09 -1.26 -4.83 121.20 112.63 3iga s ILE 55 Ca 0.56 -0.90 -0.28 0.00 -2.23 0.00 0.00 60.65 57.79 3iga s ILE 55 Cb -0.11 -1.96 -0.11 0.00 -1.58 0.00 0.00 42.46 38.71 3iga s ILE 55 CO 0.51 0.57 1.46 -0.94 -1.23 0.00 0.00 174.94 175.31 3iga s SER 56 N -0.17 6.41 0.00 3.58 1.04 -1.26 -1.74 113.70 121.56 3iga s SER 56 Ca -0.02 2.99 0.00 0.00 0.48 0.00 0.00 55.95 59.40 3iga s SER 56 Cb -0.14 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.32 3iga s SER 56 CO 0.04 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.04 3iga n GLY 57 N 0.61 0.62 3.51 7.32 0.00 -1.26 -5.05 105.19 110.94 3iga n GLY 57 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3iga n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iga s ILE 58 N -2.35 4.45 0.04 -0.61 -1.09 -0.71 -5.05 121.20 115.88 3iga s ILE 58 Ca 0.00 -0.13 -0.38 0.00 -2.23 0.00 0.00 60.65 57.91 3iga s ILE 58 Cb 0.00 -3.05 -0.19 0.00 -1.58 0.00 0.00 42.46 37.63 3iga s ILE 58 CO 0.00 0.38 0.96 -2.65 -1.23 0.00 0.00 174.94 172.40 3iga n PRO 59 N 4.43 0.00 0.11 2.79 -0.02 -1.26 -4.79 135.00 136.26 3iga n PRO 59 Ca -0.16 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.39 3iga n PRO 59 Cb 0.52 -1.40 0.40 0.00 -0.02 0.00 0.00 33.50 33.01 3iga n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3iga n SER 60 N 1.60 0.38 0.18 2.55 3.41 -1.26 -1.94 113.62 118.54 3iga n SER 60 Ca 0.20 0.68 0.14 0.00 -0.26 0.00 0.00 58.87 59.62 3iga n SER 60 Cb 0.11 -0.73 0.52 0.00 -0.26 0.00 0.00 64.21 63.86 3iga n SER 60 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3iga h ARG 61 N 0.00 0.00 -5.86 4.33 0.11 -1.89 -3.43 114.38 107.64 3iga h ARG 61 Ca 0.00 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.49 3iga h ARG 61 Cb 0.01 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.01 3iga h ARG 61 CO 0.00 0.00 0.39 -0.06 0.10 0.00 0.00 179.97 180.40 3iga s PHE 62 N -3.39 3.38 0.04 4.08 0.08 -0.82 -2.07 117.98 119.29 3iga s PHE 62 Ca 0.04 1.18 -0.04 0.00 0.12 0.00 0.00 56.93 58.24 3iga s PHE 62 Cb 0.09 -3.01 -0.02 0.00 -0.57 0.00 0.00 43.02 39.52 3iga s PHE 62 CO 0.48 -0.29 0.06 -1.54 -0.10 0.00 0.00 175.22 173.83 3iga s SER 63 N 1.22 0.26 0.11 1.36 1.04 -0.45 -4.98 113.70 112.26 3iga s SER 63 Ca 0.36 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 56.16 3iga s SER 63 Cb -0.16 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 3iga s SER 63 CO 0.10 -0.53 -0.08 -0.83 0.98 0.00 0.00 173.24 172.88 3iga s GLY 64 N -2.32 0.86 0.24 7.32 0.00 -1.26 0.32 107.32 112.48 3iga s GLY 64 Ca -0.02 -1.33 -0.17 0.00 0.00 0.00 0.00 44.72 43.20 3iga s GLY 64 CO -0.06 -1.42 0.58 -1.35 0.00 0.00 0.00 173.10 170.84 3iga s SER 65 N -2.88 -0.21 0.00 1.64 1.04 -0.15 -4.14 113.70 109.00 3iga s SER 65 Ca 0.11 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.87 3iga s SER 65 Cb 0.02 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.77 3iga s SER 65 CO -0.02 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.63 3iga n GLY 66 N -0.40 2.67 3.56 7.32 0.00 -1.26 -0.33 105.19 116.76 3iga n GLY 66 Ca -0.05 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 3iga n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iga s SER 67 N 0.00 -0.34 0.00 1.61 1.04 -0.76 -4.86 113.70 110.40 3iga s SER 67 Ca 0.00 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.68 3iga s SER 67 Cb 0.00 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.42 3iga s SER 67 CO 0.00 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.44 3iga n GLY 68 N 0.39 2.08 0.00 7.32 0.00 0.21 -3.49 105.19 111.70 3iga n GLY 68 Ca -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3iga n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iga n THR 69 N 0.00 0.00 -5.07 2.61 -2.24 -1.26 0.86 114.28 109.19 3iga n THR 69 Ca 0.00 -0.21 -0.32 0.00 -2.27 0.00 0.00 64.05 61.25 3iga n THR 69 Cb 0.00 1.05 -0.17 0.00 -2.10 0.00 0.00 70.33 69.11 3iga n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3iga s ASP 70 N -0.38 3.06 0.03 3.42 1.01 -1.23 -1.48 116.67 121.10 3iga s ASP 70 Ca 0.00 -0.56 0.02 0.00 0.71 0.00 0.00 52.55 52.71 3iga s ASP 70 Cb 0.00 -1.40 -0.02 0.00 1.01 0.00 0.00 42.92 42.51 3iga s ASP 70 CO 0.00 0.14 -0.06 -0.36 0.21 0.00 0.00 175.17 175.10 3iga s PHE 71 N 0.47 0.52 -0.03 4.23 0.40 -0.56 -1.82 117.98 121.19 3iga s PHE 71 Ca -0.16 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.79 3iga s PHE 71 Cb -0.17 -0.32 0.02 0.00 0.51 0.00 0.00 43.02 43.06 3iga s PHE 71 CO 0.06 -0.08 -0.02 0.99 0.70 0.00 0.00 175.22 176.88 3iga s THR 72 N -1.04 0.30 -0.20 0.64 2.01 0.56 -1.32 115.64 116.59 3iga s THR 72 Ca -0.08 -0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.84 3iga s THR 72 Cb -0.08 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 3iga s THR 72 CO 0.00 0.16 0.08 -0.22 -0.69 0.00 0.00 174.62 173.95 3iga s LEU 73 N 0.88 3.81 0.13 4.42 2.96 -0.07 -0.98 118.68 129.84 3iga s LEU 73 Ca -0.10 0.05 0.10 0.00 -0.22 0.00 0.00 54.13 53.96 3iga s LEU 73 Cb -0.13 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 3iga s LEU 73 CO -0.01 0.14 -0.23 -0.44 -1.32 0.00 0.00 176.35 174.48 3iga s SER 74 N 0.60 2.97 -0.09 3.68 0.01 0.15 0.26 113.70 121.28 3iga s SER 74 Ca 0.04 -0.76 -0.03 0.00 1.31 0.00 0.00 55.95 56.51 3iga s SER 74 Cb -0.13 -0.19 0.04 0.00 0.21 0.00 0.00 66.02 65.96 3iga s SER 74 CO 0.01 0.10 0.07 -0.63 0.41 0.00 0.00 173.24 173.20 3iga s ILE 75 N -1.31 -0.09 0.38 1.44 1.01 -0.28 -1.35 121.20 121.00 3iga s ILE 75 Ca 0.12 0.19 -0.21 0.00 0.00 0.00 0.00 60.65 60.75 3iga s ILE 75 Cb -0.09 -0.33 -0.10 0.00 0.01 0.00 0.00 42.46 41.95 3iga s ILE 75 CO 0.06 -0.00 0.91 0.20 0.00 0.00 0.00 174.94 176.11 3iga s ASN 76 N 2.15 7.01 -0.83 3.58 -0.87 -0.88 -1.61 114.94 123.48 3iga s ASN 76 Ca 0.04 1.65 -0.01 0.00 -1.57 0.00 0.00 52.86 52.97 3iga s ASN 76 Cb -0.14 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.58 3iga s ASN 76 CO -0.05 -0.26 0.61 -0.24 -2.57 0.00 0.00 177.10 174.59 3iga n SER 77 N -0.28 -5.06 -4.77 -1.22 2.88 -1.08 -4.82 113.62 99.27 3iga n SER 77 Ca 0.05 -0.91 -0.41 0.00 -1.33 0.00 0.00 58.87 56.27 3iga n SER 77 Cb 0.53 -1.96 -0.00 0.00 -0.75 0.00 0.00 64.21 62.03 3iga n SER 77 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3iga s VAL 78 N -3.01 2.04 0.08 2.46 1.01 -0.46 -4.54 120.40 117.98 3iga s VAL 78 Ca 0.02 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3iga s VAL 78 Cb -0.01 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3iga s VAL 78 CO 0.89 0.01 -0.08 -1.83 0.00 0.00 0.00 175.10 174.09 3iga s GLU 79 N -1.72 0.76 0.60 2.72 -1.05 -1.26 -0.31 118.70 118.43 3iga s GLU 79 Ca 0.55 -1.14 0.30 0.00 -0.15 0.00 0.00 54.97 54.53 3iga s GLU 79 Cb -0.47 -0.32 1.08 0.00 -0.44 0.00 0.00 34.13 33.98 3iga s GLU 79 CO 0.60 0.03 1.41 0.77 0.95 0.00 0.00 175.26 179.01 3iga h SER 80 N 3.53 0.00 0.42 0.83 0.02 -1.86 0.92 113.55 117.41 3iga h SER 80 Ca -0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3iga h SER 80 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3iga h SER 80 CO 0.55 0.00 -0.05 -1.84 -1.14 0.00 0.00 176.83 174.35 3iga n GLU 81 N -3.38 0.60 0.00 3.45 0.28 -0.41 -2.64 120.64 118.54 3iga n GLU 81 Ca 0.24 -0.10 0.13 0.00 -0.16 0.00 0.00 57.16 57.27 3iga n GLU 81 Cb 1.49 -1.50 0.45 0.00 1.43 0.00 0.00 31.44 33.31 3iga n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3iga n ASP 82 N -1.11 1.24 -4.57 -1.84 8.00 0.32 -4.83 116.55 113.76 3iga n ASP 82 Ca 0.15 -1.17 -0.41 0.00 0.71 0.00 0.00 54.79 54.07 3iga n ASP 82 Cb 0.24 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 3iga n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3iga s ILE 83 N -2.26 3.68 0.00 0.53 1.01 -1.08 -4.83 121.20 118.24 3iga s ILE 83 Ca 0.31 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.50 3iga s ILE 83 Cb 0.20 -4.35 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3iga s ILE 83 CO 0.43 -1.15 0.00 0.00 0.00 0.00 0.00 174.94 174.22 3iga n ALA 84 N 10.21 0.00 -2.75 9.38 0.00 -1.25 -4.75 120.51 131.34 3iga n ALA 84 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 3iga n ALA 84 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 3iga n ALA 84 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3iga s ASN 85 N -0.69 6.40 0.08 0.00 0.02 0.12 -1.29 114.94 119.58 3iga s ASN 85 Ca 0.00 0.47 0.04 0.00 -1.02 0.00 0.00 52.86 52.34 3iga s ASN 85 Cb 0.00 -2.13 -0.04 0.00 0.02 0.00 0.00 41.25 39.11 3iga s ASN 85 CO 0.00 0.25 0.03 -0.31 0.02 0.00 0.00 177.10 177.10 3iga s TYR 86 N -0.24 3.09 -0.01 2.20 1.51 0.12 -0.46 117.35 123.54 3iga s TYR 86 Ca 0.14 0.03 -0.14 0.00 -1.01 0.00 0.00 57.07 56.09 3iga s TYR 86 Cb -0.12 -1.59 0.02 0.00 -0.11 0.00 0.00 41.96 40.16 3iga s TYR 86 CO 0.03 0.50 0.29 0.71 -1.11 0.00 0.00 175.55 175.97 3iga s TYR 87 N -1.32 -0.16 0.18 2.71 1.51 -0.83 -0.41 117.35 119.04 3iga s TYR 87 Ca 0.27 0.22 0.10 0.00 -1.01 0.00 0.00 57.07 56.64 3iga s TYR 87 Cb -0.12 0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.77 3iga s TYR 87 CO 0.19 -0.38 -0.14 0.00 -1.11 0.00 0.00 175.55 174.11 3iga s GLN 89 N -2.78 0.24 -0.02 0.00 -0.44 -0.35 0.17 119.66 116.48 3iga s GLN 89 Ca 0.24 0.48 0.02 0.00 -2.50 0.00 0.00 55.36 53.60 3iga s GLN 89 Cb -0.09 -0.04 -0.03 0.00 -1.64 0.00 0.00 33.01 31.22 3iga s GLN 89 CO 0.14 -0.12 -0.06 1.14 0.50 0.00 0.00 175.29 176.89 3iga s GLN 90 N 0.91 2.65 -0.15 1.67 1.03 -0.71 -0.37 119.66 124.69 3iga s GLN 90 Ca -0.06 -0.65 0.15 0.00 0.04 0.00 0.00 55.36 54.84 3iga s GLN 90 Cb -0.08 -2.56 0.34 0.00 0.03 0.00 0.00 33.01 30.74 3iga s GLN 90 CO -0.06 0.63 1.17 -1.13 -2.54 0.00 0.00 175.29 173.36 3iga n SER 91 N 1.73 1.84 0.07 12.60 3.41 -0.18 -3.00 113.62 130.09 3iga n SER 91 Ca -0.16 -3.30 -0.20 0.00 -0.26 0.00 0.00 58.87 54.95 3iga n SER 91 Cb 0.53 -0.45 -0.11 0.00 -0.26 0.00 0.00 64.21 63.92 3iga n SER 91 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3iga h ASN 92 N 0.49 0.80 -4.76 4.04 -1.24 -1.85 -3.47 115.58 109.60 3iga h ASN 92 Ca -0.01 -0.70 -0.17 0.00 0.71 0.00 0.00 56.30 56.12 3iga h ASN 92 Cb 1.08 -0.25 -0.22 0.00 0.73 0.00 0.00 38.32 39.66 3iga h ASN 92 CO 0.01 1.51 -0.64 -0.13 -1.29 0.00 0.00 177.43 176.88 3iga s ARG 93 N -3.11 0.31 0.25 6.67 0.52 -1.26 -5.13 118.95 117.19 3iga s ARG 93 Ca -0.09 -0.44 -0.30 0.00 -0.52 0.00 0.00 55.73 54.39 3iga s ARG 93 Cb 0.07 0.12 -0.09 0.00 0.52 0.00 0.00 34.95 35.56 3iga s ARG 93 CO 0.92 -0.06 1.18 -0.46 0.02 0.00 0.00 175.30 176.90 3iga s TRP 94 N -1.17 3.42 0.45 -0.53 -0.00 -1.26 -3.97 118.94 115.88 3iga s TRP 94 Ca -0.13 1.53 -0.02 0.00 -0.00 0.00 0.00 56.10 57.49 3iga s TRP 94 Cb -0.08 -3.42 -0.01 0.00 -0.00 0.00 0.00 33.47 29.96 3iga s TRP 94 CO -0.00 -1.06 0.70 -1.25 -0.00 0.00 0.00 176.95 175.34 3iga s PRO 95 N -0.98 3.21 0.73 5.86 0.04 -1.26 -4.74 135.00 137.86 3iga s PRO 95 Ca 0.49 -0.26 -0.16 0.00 0.04 0.00 0.00 61.00 61.11 3iga s PRO 95 Cb -0.34 -2.51 0.03 0.00 0.04 0.00 0.00 34.50 31.73 3iga s PRO 95 CO 0.41 -0.23 1.21 1.19 0.04 0.00 0.00 177.00 179.61 3iga n PHE 96 N -2.12 1.47 -4.03 0.56 0.99 -1.25 -4.70 117.46 108.37 3iga n PHE 96 Ca 0.00 0.41 -0.09 0.00 -0.00 0.00 0.00 57.45 57.78 3iga n PHE 96 Cb 0.57 -2.17 -0.09 0.00 -1.00 0.00 0.00 39.48 36.79 3iga n PHE 96 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3iga s THR 97 N -1.77 0.14 0.24 4.37 -4.23 -1.16 -4.98 115.64 108.25 3iga s THR 97 Ca 0.77 -1.61 0.11 0.00 -1.18 0.00 0.00 61.69 59.79 3iga s THR 97 Cb -0.34 -1.67 -0.05 0.00 1.34 0.00 0.00 72.50 71.79 3iga s THR 97 CO 0.46 -0.65 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.33 3iga s PHE 98 N -3.95 2.34 0.80 3.99 0.08 -1.26 -1.74 117.98 118.25 3iga s PHE 98 Ca 0.13 -0.33 -0.12 0.00 0.12 0.00 0.00 56.93 56.73 3iga s PHE 98 Cb 0.06 -1.08 0.08 0.00 -0.57 0.00 0.00 43.02 41.51 3iga s PHE 98 CO -0.05 0.62 1.15 0.20 -0.10 0.00 0.00 175.22 177.04 3iga s GLY 99 N -3.18 1.60 0.00 4.36 0.00 0.13 -4.51 107.32 105.71 3iga s GLY 99 Ca 0.26 -0.55 0.31 0.00 0.00 0.00 0.00 44.72 44.74 3iga s GLY 99 CO 0.13 -0.08 2.11 -1.14 0.00 0.00 0.00 173.10 174.12 3iga n SER 100 N -3.33 0.09 0.00 1.64 3.41 -1.26 -4.71 113.62 109.46 3iga n SER 100 Ca 0.08 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 3iga n SER 100 Cb 0.60 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3iga n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iga n GLY 101 N 1.15 -1.04 2.81 5.00 0.00 -1.26 -5.04 105.19 106.83 3iga n GLY 101 Ca 0.19 -1.59 -0.16 0.00 0.00 0.00 0.00 46.02 44.46 3iga n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iga s THR 102 N -3.01 -0.10 -0.18 2.61 2.01 0.46 -4.70 115.64 112.73 3iga s THR 102 Ca 0.00 0.26 -0.20 0.00 0.31 0.00 0.00 61.69 62.06 3iga s THR 102 Cb 0.00 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.30 3iga s THR 102 CO 0.00 0.11 0.61 -0.75 -0.69 0.00 0.00 174.62 173.90 3iga s LYS 103 N 1.48 4.24 0.01 4.92 2.20 0.17 0.11 119.74 132.86 3iga s LYS 103 Ca -0.05 0.60 -0.21 0.00 -0.36 0.00 0.00 55.97 55.95 3iga s LYS 103 Cb -0.12 -3.55 -0.06 0.00 -1.51 0.00 0.00 37.83 32.59 3iga s LYS 103 CO -0.04 -0.17 0.62 -1.17 -0.36 0.00 0.00 175.35 174.23 3iga s LEU 104 N 1.67 4.44 -0.03 5.43 2.96 -0.41 -0.82 118.68 131.91 3iga s LEU 104 Ca 0.29 1.22 -0.01 0.00 -0.22 0.00 0.00 54.13 55.41 3iga s LEU 104 Cb -0.16 -2.97 0.03 0.00 0.50 0.00 0.00 46.19 43.59 3iga s LEU 104 CO 0.11 0.11 0.03 -0.70 -1.32 0.00 0.00 176.35 174.58 3iga s GLU 105 N -0.29 0.05 0.28 1.98 2.12 0.17 -3.97 118.70 119.04 3iga s GLU 105 Ca 0.32 0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.90 3iga s GLU 105 Cb -0.19 -0.41 -0.03 0.00 0.26 0.00 0.00 34.13 33.76 3iga s GLU 105 CO 0.18 -0.22 0.45 0.42 -0.54 0.00 0.00 175.26 175.55 3iga s ILE 106 N 1.45 5.18 -0.22 -3.70 1.01 -1.26 -0.21 121.20 123.45 3iga s ILE 106 Ca -0.04 -0.68 -0.00 0.00 0.00 0.00 0.00 60.65 59.93 3iga s ILE 106 Cb -0.13 -3.85 0.06 0.00 0.01 0.00 0.00 42.46 38.56 3iga s ILE 106 CO -0.03 -0.42 -0.03 -0.54 0.00 0.00 0.00 174.94 173.92 3iga s LYS 107 N -4.06 1.40 0.39 2.79 1.02 0.82 -4.81 119.74 117.29 3iga s LYS 107 Ca 0.37 -0.85 0.03 0.00 0.02 0.00 0.00 55.97 55.54 3iga s LYS 107 Cb -0.09 -2.47 0.03 0.00 -0.52 0.00 0.00 37.83 34.78 3iga s LYS 107 CO 0.32 -0.60 0.27 2.89 -0.92 0.00 0.00 175.35 177.30 3iga n ARG 108 N 4.76 0.93 -1.43 1.68 1.85 -1.26 -4.05 116.66 119.14 3iga n ARG 108 Ca -0.11 -2.49 -0.33 0.00 -1.00 0.00 0.00 57.85 53.92 3iga n ARG 108 Cb 0.45 0.31 0.09 0.00 -1.05 0.00 0.00 32.46 32.25 3iga n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3iga s ALA 109 N -2.57 2.18 0.52 2.89 0.00 -1.26 -4.95 121.76 118.56 3iga s ALA 109 Ca 0.20 0.64 -0.22 0.00 0.00 0.00 0.00 51.96 52.58 3iga s ALA 109 Cb -0.02 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 3iga s ALA 109 CO 0.13 -1.76 1.28 -0.51 0.00 0.00 0.00 175.76 174.90 3iga s ASP 110 N -2.50 5.58 -0.04 0.00 -0.00 -1.26 -4.83 116.67 113.62 3iga s ASP 110 Ca 0.69 2.59 0.01 0.00 -0.00 0.00 0.00 52.55 55.84 3iga s ASP 110 Cb -0.24 -2.62 0.02 0.00 -0.00 0.00 0.00 42.92 40.08 3iga s ASP 110 CO 0.47 -1.35 -0.03 0.00 -0.00 0.00 0.00 175.17 174.26 3iga s ALA 111 N -1.40 0.56 0.28 5.23 0.00 0.94 -4.91 121.76 122.46 3iga s ALA 111 Ca 0.69 0.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.38 3iga s ALA 111 Cb -0.36 -0.37 -0.09 0.00 0.00 0.00 0.00 23.12 22.29 3iga s ALA 111 CO 0.43 -0.02 0.96 0.00 0.00 0.00 0.00 175.76 177.13 3iga s ALA 112 N 0.89 3.28 0.55 0.00 0.00 -1.26 -1.55 121.76 123.67 3iga s ALA 112 Ca -0.11 0.61 -0.18 0.00 0.00 0.00 0.00 51.96 52.28 3iga s ALA 112 Cb -0.14 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 3iga s ALA 112 CO -0.00 0.14 1.07 -1.25 0.00 0.00 0.00 175.76 175.72 3iga s PRO 113 N -1.62 3.44 -0.42 0.00 0.04 -1.26 -4.57 135.00 130.62 3iga s PRO 113 Ca 0.46 1.34 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 3iga s PRO 113 Cb -0.23 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.29 3iga s PRO 113 CO 0.29 -0.73 0.30 0.99 0.04 0.00 0.00 177.00 177.90 3iga s THR 114 N -2.16 5.17 0.24 1.26 2.01 -0.34 -4.87 115.64 116.94 3iga s THR 114 Ca 0.67 -0.75 -0.07 0.00 0.31 0.00 0.00 61.69 61.85 3iga s THR 114 Cb -0.18 -3.92 -0.06 0.00 0.01 0.00 0.00 72.50 68.36 3iga s THR 114 CO 0.30 -0.34 0.52 -0.69 -0.69 0.00 0.00 174.62 173.71 3iga s VAL 115 N 1.66 5.01 -0.20 3.82 1.01 -1.25 -1.63 120.40 128.81 3iga s VAL 115 Ca 0.05 0.23 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 3iga s VAL 115 Cb -0.20 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.58 3iga s VAL 115 CO 0.09 -0.15 0.51 -0.44 0.00 0.00 0.00 175.10 175.10 3iga s SER 116 N -2.70 -0.61 0.09 3.32 0.01 -0.37 -4.96 113.70 108.48 3iga s SER 116 Ca 0.45 1.08 0.07 0.00 1.31 0.00 0.00 55.95 58.86 3iga s SER 116 Cb -0.11 1.01 -0.04 0.00 0.21 0.00 0.00 66.02 67.09 3iga s SER 116 CO 0.25 -0.20 -0.14 -0.51 0.41 0.00 0.00 173.24 173.06 3iga s ILE 117 N 0.99 3.11 -0.08 1.44 2.07 -1.26 -0.01 121.20 127.47 3iga s ILE 117 Ca -0.06 -1.30 -0.01 0.00 -1.41 0.00 0.00 60.65 57.87 3iga s ILE 117 Cb -0.06 -2.41 0.03 0.00 0.13 0.00 0.00 42.46 40.15 3iga s ILE 117 CO -0.09 0.17 -0.02 -0.36 -1.91 0.00 0.00 174.94 172.73 3iga s PHE 118 N -1.12 0.83 0.45 3.50 0.40 0.36 -4.96 117.98 117.44 3iga s PHE 118 Ca 0.19 -0.28 -0.24 0.00 -0.60 0.00 0.00 56.93 56.00 3iga s PHE 118 Cb -0.11 -0.87 -0.07 0.00 0.51 0.00 0.00 43.02 42.47 3iga s PHE 118 CO 0.11 -0.35 1.23 -2.14 0.70 0.00 0.00 175.22 174.76 3iga s PRO 119 N 1.84 3.76 0.74 0.24 0.02 -1.26 -1.74 135.00 138.60 3iga s PRO 119 Ca 0.04 1.95 -0.16 0.00 0.02 0.00 0.00 61.00 62.85 3iga s PRO 119 Cb -0.12 -2.51 0.02 0.00 0.02 0.00 0.00 34.50 31.91 3iga s PRO 119 CO -0.05 -0.60 1.04 -0.35 -0.33 0.00 0.00 177.00 176.70 3iga n PRO 120 N -0.34 0.49 -2.12 5.54 -0.04 -1.23 -4.87 135.00 132.43 3iga n PRO 120 Ca 0.06 0.23 -0.32 0.00 -0.04 0.00 0.00 63.50 63.44 3iga n PRO 120 Cb 0.46 -2.29 -0.01 0.00 -0.04 0.00 0.00 33.50 31.62 3iga n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3iga s SER 121 N -1.72 6.38 0.09 3.54 1.04 -1.26 -4.91 113.70 116.86 3iga s SER 121 Ca 0.74 1.51 -0.34 0.00 0.48 0.00 0.00 55.95 58.34 3iga s SER 121 Cb -0.34 -2.49 -0.16 0.00 0.10 0.00 0.00 66.02 63.14 3iga s SER 121 CO 0.50 -0.76 1.58 0.28 0.98 0.00 0.00 173.24 175.82 3iga h SER 122 N 0.29 -1.28 -0.85 7.02 0.02 -1.98 -0.41 113.55 116.36 3iga h SER 122 Ca -0.45 0.11 0.18 0.00 -0.84 0.00 0.00 61.79 60.78 3iga h SER 122 Cb 1.19 0.43 -0.11 0.00 0.14 0.00 0.00 62.40 64.05 3iga h SER 122 CO 0.61 -0.61 0.38 -0.33 -1.14 0.00 0.00 176.83 175.74 3iga h GLU 123 N -0.91 0.46 0.08 3.45 3.07 -1.99 -1.64 114.58 117.11 3iga h GLU 123 Ca -0.04 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3iga h GLU 123 Cb 0.81 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 3iga h GLU 123 CO -0.08 0.31 -0.04 0.37 -1.40 0.00 0.00 179.01 178.16 3iga h GLN 124 N 0.48 -0.11 -1.01 2.33 4.15 -1.75 -2.73 115.11 116.47 3iga h GLN 124 Ca 0.49 0.01 0.24 0.00 0.77 0.00 0.00 58.65 60.16 3iga h GLN 124 Cb 0.82 0.02 -0.11 0.00 0.21 0.00 0.00 27.48 28.43 3iga h GLN 124 CO -0.45 0.17 0.62 -0.07 -1.93 0.00 0.00 178.83 177.18 3iga h LEU 125 N -0.38 0.61 -2.16 -2.39 3.38 -0.40 1.42 115.31 115.39 3iga h LEU 125 Ca -0.01 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3iga h LEU 125 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3iga h LEU 125 CO 0.02 0.15 0.28 0.74 0.09 0.00 0.00 178.44 179.71 3iga h THR 126 N 0.56 0.38 -0.30 0.22 2.02 -1.00 0.72 112.91 115.51 3iga h THR 126 Ca 0.60 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.78 3iga h THR 126 Cb 1.23 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3iga h THR 126 CO -0.38 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 174.31 3iga n SER 127 N -3.67 2.20 -1.06 4.18 7.64 0.49 -4.89 113.62 118.50 3iga n SER 127 Ca 0.03 -1.86 -0.10 0.00 1.01 0.00 0.00 58.87 57.95 3iga n SER 127 Cb 0.41 -0.19 -0.01 0.00 -1.01 0.00 0.00 64.21 63.40 3iga n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iga n GLY 128 N 1.21 0.26 3.08 0.23 0.00 0.25 -5.01 105.19 105.21 3iga n GLY 128 Ca 0.16 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 3iga n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iga s GLY 129 N -2.63 0.58 -0.11 -0.02 0.00 -1.18 -3.07 107.32 100.89 3iga s GLY 129 Ca 0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 44.72 43.97 3iga s GLY 129 CO 0.00 -0.73 0.09 0.00 0.00 0.00 0.00 173.10 172.46 3iga s ALA 130 N -1.01 0.27 -0.26 3.20 0.00 -0.15 -2.53 121.76 121.27 3iga s ALA 130 Ca -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 3iga s ALA 130 Cb -0.08 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.23 3iga s ALA 130 CO 0.01 -0.82 -0.05 -1.12 0.00 0.00 0.00 175.76 173.77 3iga s SER 131 N 2.17 4.40 -0.33 0.00 0.01 -1.26 -0.32 113.70 118.37 3iga s SER 131 Ca 0.04 -0.96 -0.18 0.00 1.31 0.00 0.00 55.95 56.16 3iga s SER 131 Cb -0.14 -1.67 -0.01 0.00 0.21 0.00 0.00 66.02 64.42 3iga s SER 131 CO -0.06 -0.15 0.52 -0.69 0.41 0.00 0.00 173.24 173.27 3iga s VAL 132 N 1.30 5.02 -0.05 3.43 1.01 0.17 -3.51 120.40 127.77 3iga s VAL 132 Ca -0.01 0.47 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 3iga s VAL 132 Cb -0.17 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3iga s VAL 132 CO -0.04 -0.16 0.16 -0.69 0.00 0.00 0.00 175.10 174.37 3iga s VAL 133 N 2.40 5.42 -0.06 2.92 1.01 -0.71 -0.93 120.40 130.45 3iga s VAL 133 Ca 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 3iga s VAL 133 Cb -0.15 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.79 3iga s VAL 133 CO 0.13 0.44 0.03 0.00 0.00 0.00 0.00 175.10 175.69 3iga s PHE 135 N 2.06 3.33 -0.28 0.00 0.08 0.99 -1.46 117.98 122.71 3iga s PHE 135 Ca 0.05 0.23 0.03 0.00 0.12 0.00 0.00 56.93 57.36 3iga s PHE 135 Cb -0.12 -1.98 0.07 0.00 -0.57 0.00 0.00 43.02 40.42 3iga s PHE 135 CO -0.04 0.38 -0.07 -0.51 -0.10 0.00 0.00 175.22 174.88 3iga s LEU 136 N -0.28 3.77 0.23 -0.37 2.01 -0.41 -1.23 118.68 122.40 3iga s LEU 136 Ca 0.09 -1.57 0.11 0.00 0.01 0.00 0.00 54.13 52.76 3iga s LEU 136 Cb -0.12 -1.57 -0.05 0.00 0.01 0.00 0.00 46.19 44.46 3iga s LEU 136 CO 0.01 -0.24 -0.16 0.20 1.01 0.00 0.00 176.35 177.18 3iga s ASN 137 N 1.06 3.85 -1.54 2.29 0.02 -0.65 0.04 114.94 120.02 3iga s ASN 137 Ca -0.04 -0.82 -0.03 0.00 -1.02 0.00 0.00 52.86 50.95 3iga s ASN 137 Cb -0.20 -0.47 0.03 0.00 0.02 0.00 0.00 41.25 40.63 3iga s ASN 137 CO -0.06 0.07 0.21 0.59 0.02 0.00 0.00 177.10 177.94 3iga n ASN 138 N -0.25 0.14 -4.42 -1.22 3.02 -0.91 -1.20 115.26 110.42 3iga n ASN 138 Ca -0.09 -1.18 -0.30 0.00 -0.03 0.00 0.00 54.58 52.98 3iga n ASN 138 Cb 0.58 -2.09 -0.13 0.00 -0.61 0.00 0.00 39.78 37.53 3iga n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3iga s PHE 139 N -4.12 2.42 -0.07 3.10 -0.12 0.72 -4.66 117.98 115.26 3iga s PHE 139 Ca 0.11 -0.33 -0.13 0.00 -0.05 0.00 0.00 56.93 56.52 3iga s PHE 139 Cb -0.06 -1.36 0.03 0.00 -0.63 0.00 0.00 43.02 41.00 3iga s PHE 139 CO 0.97 0.27 0.32 -0.47 -0.05 0.00 0.00 175.22 176.26 3iga s TYR 140 N -0.98 -0.27 1.18 3.49 6.14 -0.59 -1.63 117.35 124.69 3iga s TYR 140 Ca 0.14 0.57 -0.17 0.00 0.64 0.00 0.00 57.07 58.25 3iga s TYR 140 Cb -0.10 0.11 0.25 0.00 0.42 0.00 0.00 41.96 42.63 3iga s TYR 140 CO 0.06 -0.29 0.53 -0.35 0.64 0.00 0.00 175.55 176.13 3iga n PRO 141 N 2.04 -3.12 0.00 4.97 -0.04 -1.26 -0.04 135.00 137.54 3iga n PRO 141 Ca -0.18 -0.92 0.14 0.00 -0.04 0.00 0.00 63.50 62.50 3iga n PRO 141 Cb 0.57 -1.67 0.63 0.00 -0.04 0.00 0.00 33.50 32.99 3iga n PRO 141 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3iga n LYS 142 N -3.31 0.05 -2.76 0.54 2.85 -1.26 -4.80 118.16 109.48 3iga n LYS 142 Ca 0.08 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.92 3iga n LYS 142 Cb 0.46 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.31 3iga n LYS 142 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3iga s ASP 143 N -2.95 6.82 0.05 -5.58 1.01 -1.26 -5.01 116.67 109.76 3iga s ASP 143 Ca 0.16 0.88 -0.12 0.00 0.71 0.00 0.00 52.55 54.18 3iga s ASP 143 Cb 0.19 -2.49 0.01 0.00 1.01 0.00 0.00 42.92 41.64 3iga s ASP 143 CO 0.52 -0.78 0.26 -0.51 0.21 0.00 0.00 175.17 174.87 3iga s ILE 144 N 3.39 0.10 -0.06 0.77 2.07 -1.26 -4.61 121.20 121.59 3iga s ILE 144 Ca 0.40 -0.81 0.03 0.00 -1.41 0.00 0.00 60.65 58.87 3iga s ILE 144 Cb -0.13 -1.01 0.01 0.00 0.13 0.00 0.00 42.46 41.46 3iga s ILE 144 CO 0.14 -0.45 -0.16 0.20 -1.91 0.00 0.00 174.94 172.77 3iga s ASN 145 N -2.25 2.09 -0.10 4.50 0.01 -0.80 -4.98 114.94 113.42 3iga s ASN 145 Ca -0.03 -0.35 0.01 0.00 -0.71 0.00 0.00 52.86 51.78 3iga s ASN 145 Cb 0.00 -0.84 -0.02 0.00 0.41 0.00 0.00 41.25 40.80 3iga s ASN 145 CO -0.05 0.09 -0.12 0.54 -1.51 0.00 0.00 177.10 176.05 3iga s VAL 146 N 0.40 3.21 0.04 1.60 0.11 -1.26 0.26 120.40 124.76 3iga s VAL 146 Ca -0.12 -0.63 0.06 0.00 -2.93 0.00 0.00 61.98 58.36 3iga s VAL 146 Cb -0.15 -2.32 -0.02 0.00 -1.53 0.00 0.00 36.38 32.36 3iga s VAL 146 CO 0.04 0.55 -0.18 -0.75 -3.33 0.00 0.00 175.10 171.43 3iga s LYS 147 N -0.16 1.23 0.01 1.54 2.20 0.40 -4.95 119.74 120.01 3iga s LYS 147 Ca 0.00 -0.85 0.07 0.00 -0.36 0.00 0.00 55.97 54.83 3iga s LYS 147 Cb -0.13 -1.29 -0.03 0.00 -1.51 0.00 0.00 37.83 34.86 3iga s LYS 147 CO 0.03 0.33 -0.21 -1.58 -0.36 0.00 0.00 175.35 173.56 3iga s TRP 148 N -0.78 2.48 -0.00 4.03 0.52 -1.26 -0.67 118.94 123.26 3iga s TRP 148 Ca 0.05 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 55.87 3iga s TRP 148 Cb -0.08 -1.49 0.00 0.00 -1.15 0.00 0.00 33.47 30.75 3iga s TRP 148 CO 0.01 0.14 -0.02 0.15 0.02 0.00 0.00 176.95 177.26 3iga s LYS 149 N -1.06 0.19 -0.23 4.98 1.02 -1.04 0.59 119.74 124.19 3iga s LYS 149 Ca 0.12 -0.06 0.02 0.00 0.02 0.00 0.00 55.97 56.07 3iga s LYS 149 Cb -0.10 -0.21 0.05 0.00 -0.52 0.00 0.00 37.83 37.04 3iga s LYS 149 CO 0.02 0.03 -0.12 0.42 -0.92 0.00 0.00 175.35 174.78 3iga s ILE 150 N 0.07 2.03 -1.23 2.17 1.01 0.22 -1.41 121.20 124.07 3iga s ILE 150 Ca -0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 60.65 59.24 3iga s ILE 150 Cb -0.02 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 3iga s ILE 150 CO -0.00 0.10 0.85 0.47 0.00 0.00 0.00 174.94 176.36 3iga n ASP 151 N 4.52 -2.30 0.00 3.58 8.00 0.93 -1.64 116.55 129.64 3iga n ASP 151 Ca -0.15 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.61 3iga n ASP 151 Cb 0.44 -4.59 0.00 0.00 -0.02 0.00 0.00 41.12 36.96 3iga n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iga n GLY 152 N -1.36 2.48 3.56 0.44 0.00 -1.26 -4.98 105.19 104.07 3iga n GLY 152 Ca -0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 3iga n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iga s SER 153 N -2.37 6.14 0.17 1.61 0.01 -0.65 -4.98 113.70 113.62 3iga s SER 153 Ca 0.00 -0.14 -0.34 0.00 1.31 0.00 0.00 55.95 56.78 3iga s SER 153 Cb 0.00 -2.17 -0.14 0.00 0.21 0.00 0.00 66.02 63.91 3iga s SER 153 CO 0.00 -0.24 1.47 1.21 0.41 0.00 0.00 173.24 176.09 3iga n GLU 154 N 5.26 1.91 -3.96 12.44 2.13 -1.26 0.71 120.64 137.87 3iga n GLU 154 Ca -0.11 0.69 -0.29 0.00 0.66 0.00 0.00 57.16 58.11 3iga n GLU 154 Cb 0.50 -2.39 -0.16 0.00 0.27 0.00 0.00 31.44 29.66 3iga n GLU 154 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3iga s ARG 155 N 0.42 1.88 0.00 5.31 6.06 0.20 -4.82 118.95 127.99 3iga s ARG 155 Ca 0.76 -0.53 0.17 0.00 -2.50 0.00 0.00 55.73 53.64 3iga s ARG 155 Cb -0.72 -2.01 -0.12 0.00 0.06 0.00 0.00 34.95 32.16 3iga s ARG 155 CO 0.43 -0.32 0.79 1.04 -2.50 0.00 0.00 175.30 174.74 3iga n GLN 156 N 4.82 1.48 -3.09 5.12 6.02 -1.26 -4.40 117.38 126.07 3iga n GLN 156 Ca -0.14 -0.32 -0.39 0.00 -0.01 0.00 0.00 57.00 56.13 3iga n GLN 156 Cb 0.49 -1.31 -0.05 0.00 1.02 0.00 0.00 30.24 30.39 3iga n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3iga s ASN 157 N -2.39 7.14 -0.23 1.08 -0.87 -1.26 -4.04 114.94 114.38 3iga s ASN 157 Ca 0.09 1.36 -0.00 0.00 -1.57 0.00 0.00 52.86 52.74 3iga s ASN 157 Cb 0.13 -2.42 0.00 0.00 -0.02 0.00 0.00 41.25 38.94 3iga s ASN 157 CO 0.60 0.11 0.03 0.61 -2.57 0.00 0.00 177.10 175.88 3iga n GLY 158 N 2.20 0.35 3.06 0.66 0.00 -1.26 -4.85 105.19 105.35 3iga n GLY 158 Ca -0.05 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 3iga n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iga s VAL 159 N -2.31 2.18 -0.14 1.61 1.01 -1.26 -1.54 120.40 119.96 3iga s VAL 159 Ca 0.01 -1.74 -0.02 0.00 0.00 0.00 0.00 61.98 60.23 3iga s VAL 159 Cb -0.01 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 3iga s VAL 159 CO 0.02 -0.12 -0.07 -0.76 0.00 0.00 0.00 175.10 174.17 3iga s LEU 160 N 1.07 3.07 0.20 3.92 1.43 -0.68 -4.94 118.68 122.75 3iga s LEU 160 Ca -0.06 -0.18 0.10 0.00 -1.03 0.00 0.00 54.13 52.97 3iga s LEU 160 Cb -0.20 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3iga s LEU 160 CO -0.05 0.19 -0.16 0.20 0.23 0.00 0.00 176.35 176.76 3iga s ASN 161 N 0.20 3.86 -0.06 2.29 0.01 -1.26 -1.10 114.94 118.88 3iga s ASN 161 Ca -0.04 -0.75 -0.03 0.00 -0.71 0.00 0.00 52.86 51.33 3iga s ASN 161 Cb -0.14 -0.49 0.03 0.00 0.41 0.00 0.00 41.25 41.05 3iga s ASN 161 CO 0.04 0.10 0.13 -0.55 -1.51 0.00 0.00 177.10 175.31 3iga s SER 162 N -2.88 -0.11 0.03 -1.22 0.15 0.31 -4.97 113.70 105.01 3iga s SER 162 Ca 0.24 0.27 0.04 0.00 0.70 0.00 0.00 55.95 57.20 3iga s SER 162 Cb -0.08 0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.40 3iga s SER 162 CO 0.13 -0.11 -0.06 0.26 1.20 0.00 0.00 173.24 174.67 3iga s TRP 163 N 0.74 2.89 0.37 3.44 0.51 -1.26 -0.16 118.94 125.47 3iga s TRP 163 Ca -0.06 -0.04 0.02 0.00 -2.12 0.00 0.00 56.10 53.90 3iga s TRP 163 Cb -0.07 -1.58 -0.02 0.00 -0.81 0.00 0.00 33.47 30.98 3iga s TRP 163 CO -0.03 0.40 0.56 0.95 -0.51 0.00 0.00 176.95 178.31 3iga s THR 164 N -1.07 4.62 0.72 2.01 -4.23 -0.62 -5.00 115.64 112.07 3iga s THR 164 Ca 0.19 -0.61 -0.12 0.00 -1.18 0.00 0.00 61.69 59.97 3iga s THR 164 Cb -0.11 -3.67 0.17 0.00 1.34 0.00 0.00 72.50 70.22 3iga s THR 164 CO 0.10 -0.40 0.89 0.47 -0.54 0.00 0.00 174.62 175.14 3iga n ASP 165 N -1.82 -0.31 -4.70 3.99 9.92 -1.26 -4.55 116.55 117.82 3iga n ASP 165 Ca -0.03 -1.26 -0.42 0.00 -0.53 0.00 0.00 54.79 52.56 3iga n ASP 165 Cb 0.57 -0.71 -0.03 0.00 -0.64 0.00 0.00 41.12 40.31 3iga n ASP 165 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 3iga s GLN 166 N -4.96 4.26 0.29 -1.24 0.74 -1.26 -4.68 119.66 112.80 3iga s GLN 166 Ca 0.52 2.15 -0.30 0.00 0.05 0.00 0.00 55.36 57.78 3iga s GLN 166 Cb -0.02 -3.44 -0.11 0.00 1.10 0.00 0.00 33.01 30.54 3iga s GLN 166 CO 0.37 -0.59 1.52 0.34 -0.55 0.00 0.00 175.29 176.38 3iga s ASP 167 N 1.73 6.48 0.00 6.67 2.15 -0.17 -4.90 116.67 128.64 3iga s ASP 167 Ca 0.68 2.86 0.29 0.00 0.43 0.00 0.00 52.55 56.81 3iga s ASP 167 Cb -0.37 -2.64 1.27 0.00 -0.30 0.00 0.00 42.92 40.89 3iga s ASP 167 CO 0.30 -0.82 1.94 -1.54 -0.17 0.00 0.00 175.17 174.88 3iga n SER 168 N 1.94 0.00 -0.06 -0.34 3.41 -1.26 -1.28 113.62 116.04 3iga n SER 168 Ca 0.06 0.41 -0.20 0.00 -0.26 0.00 0.00 58.87 58.89 3iga n SER 168 Cb 0.39 -0.47 -0.13 0.00 -0.26 0.00 0.00 64.21 63.74 3iga n SER 168 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3iga h LYS 169 N 0.00 0.07 0.00 4.33 1.57 -1.91 -1.07 116.57 119.56 3iga h LYS 169 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3iga h LYS 169 Cb 0.47 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3iga h LYS 169 CO 0.00 1.06 -0.02 -0.40 -0.57 0.00 0.00 179.45 179.52 3iga n ASP 170 N -4.33 1.11 -2.27 0.86 5.68 -1.25 -4.77 116.55 111.58 3iga n ASP 170 Ca -0.24 -1.64 -0.20 0.00 -0.50 0.00 0.00 54.79 52.21 3iga n ASP 170 Cb 0.69 -0.03 -0.01 0.00 -1.14 0.00 0.00 41.12 40.63 3iga n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3iga n SER 171 N -0.32 -5.70 -2.69 -1.12 7.64 -0.40 -4.98 113.62 106.05 3iga n SER 171 Ca 0.01 -0.02 -0.06 0.00 1.01 0.00 0.00 58.87 59.81 3iga n SER 171 Cb 0.39 -4.72 0.00 0.00 -1.01 0.00 0.00 64.21 58.87 3iga n SER 171 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3iga n THR 172 N -4.01 0.00 -4.25 0.44 -2.24 -1.26 -4.75 114.28 98.21 3iga n THR 172 Ca -0.24 -0.51 -0.15 0.00 -2.27 0.00 0.00 64.05 60.88 3iga n THR 172 Cb 0.68 -0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 68.33 3iga n THR 172 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3iga s TYR 173 N -0.51 1.32 0.10 4.78 1.51 -0.65 -1.00 117.35 122.91 3iga s TYR 173 Ca 0.09 -0.70 -0.05 0.00 -1.01 0.00 0.00 57.07 55.40 3iga s TYR 173 Cb -0.01 -0.67 -0.02 0.00 -0.11 0.00 0.00 41.96 41.16 3iga s TYR 173 CO 0.06 0.12 0.13 -1.12 -1.11 0.00 0.00 175.55 173.62 3iga s SER 174 N -3.02 0.23 -0.04 2.29 0.01 -1.26 -0.20 113.70 111.71 3iga s SER 174 Ca 0.15 -0.91 -0.22 0.00 1.31 0.00 0.00 55.95 56.29 3iga s SER 174 Cb 0.01 0.32 0.04 0.00 0.21 0.00 0.00 66.02 66.60 3iga s SER 174 CO 0.02 -0.73 0.48 -0.32 0.41 0.00 0.00 173.24 173.09 3iga s MET 175 N -3.94 0.83 -0.05 12.44 0.00 0.11 -1.59 119.30 127.10 3iga s MET 175 Ca 0.12 0.04 0.05 0.00 0.00 0.00 0.00 55.69 55.90 3iga s MET 175 Cb 0.06 0.38 -0.00 0.00 0.00 0.00 0.00 34.83 35.27 3iga s MET 175 CO -0.06 -0.24 -0.20 -1.54 0.00 0.00 0.00 175.02 172.98 3iga s SER 176 N -1.20 2.50 -0.16 1.11 1.04 0.78 -1.28 113.70 116.48 3iga s SER 176 Ca -0.12 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 55.90 3iga s SER 176 Cb -0.03 -0.77 0.02 0.00 0.10 0.00 0.00 66.02 65.34 3iga s SER 176 CO 0.07 0.17 -0.16 -0.55 0.98 0.00 0.00 173.24 173.75 3iga s SER 177 N 0.05 2.83 -0.13 7.02 0.15 -0.53 -0.53 113.70 122.56 3iga s SER 177 Ca -0.06 -0.54 0.03 0.00 0.70 0.00 0.00 55.95 56.07 3iga s SER 177 Cb -0.13 -1.27 0.01 0.00 -1.71 0.00 0.00 66.02 62.91 3iga s SER 177 CO 0.03 -0.04 -0.22 -0.89 1.20 0.00 0.00 173.24 173.33 3iga s THR 178 N 1.43 2.13 -0.28 6.45 2.01 -0.26 -1.09 115.64 126.02 3iga s THR 178 Ca 0.05 -0.96 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 3iga s THR 178 Cb -0.13 -1.85 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 3iga s THR 178 CO -0.11 0.55 0.10 -0.22 -0.69 0.00 0.00 174.62 174.24 3iga s LEU 179 N 0.70 3.76 -0.16 4.42 2.96 -0.11 -1.68 118.68 128.57 3iga s LEU 179 Ca -0.10 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.34 3iga s LEU 179 Cb -0.16 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 3iga s LEU 179 CO 0.01 -0.13 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.92 3iga s THR 180 N 1.58 3.23 0.26 3.68 2.01 -0.59 0.42 115.64 126.23 3iga s THR 180 Ca 0.05 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.49 3iga s THR 180 Cb -0.16 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.89 3iga s THR 180 CO 0.04 0.49 0.08 -0.76 -0.69 0.00 0.00 174.62 173.78 3iga s LEU 181 N 0.73 1.79 0.58 4.42 1.43 0.56 -4.77 118.68 123.43 3iga s LEU 181 Ca -0.04 -1.36 -0.09 0.00 -1.03 0.00 0.00 54.13 51.60 3iga s LEU 181 Cb -0.15 -0.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 3iga s LEU 181 CO 0.02 -0.69 0.96 0.42 0.23 0.00 0.00 176.35 177.29 3iga s THR 182 N -3.65 4.75 0.20 5.49 -4.23 -1.26 -0.98 115.64 115.96 3iga s THR 182 Ca 0.36 0.69 -0.11 0.00 -1.18 0.00 0.00 61.69 61.45 3iga s THR 182 Cb 0.08 -3.86 0.13 0.00 1.34 0.00 0.00 72.50 70.19 3iga s THR 182 CO 0.13 -1.06 1.72 0.50 -0.54 0.00 0.00 174.62 175.37 3iga h LYS 183 N -0.18 0.29 -0.05 3.99 3.64 -1.82 0.82 116.57 123.27 3iga h LYS 183 Ca -0.45 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3iga h LYS 183 Cb 1.19 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3iga h LYS 183 CO 0.62 0.19 0.03 -0.44 -2.27 0.00 0.00 179.45 177.58 3iga h ASP 184 N 0.30 0.06 -0.38 4.20 5.19 -1.92 1.19 116.42 125.05 3iga h ASP 184 Ca 0.28 -0.05 0.02 0.00 -0.62 0.00 0.00 57.03 56.67 3iga h ASP 184 Cb 0.38 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 3iga h ASP 184 CO -0.34 0.09 0.25 -0.08 -3.12 0.00 0.00 179.24 176.04 3iga h GLU 185 N 0.02 0.42 0.14 3.56 4.57 -1.79 -1.04 114.58 120.47 3iga h GLU 185 Ca 0.02 -0.03 -0.29 0.00 -1.18 0.00 0.00 59.36 57.88 3iga h GLU 185 Cb 0.04 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 28.54 3iga h GLU 185 CO -0.00 0.28 -1.34 -0.92 -1.18 0.00 0.00 179.01 175.84 3iga h TYR 186 N 0.44 0.55 -0.09 0.92 3.20 -0.35 -3.33 116.97 118.31 3iga h TYR 186 Ca 0.15 -0.40 0.02 0.00 3.14 0.00 0.00 58.73 61.63 3iga h TYR 186 Cb 0.06 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 3iga h TYR 186 CO -0.00 1.34 -0.01 0.93 -1.64 0.00 0.00 178.16 178.79 3iga h GLU 187 N 0.08 0.02 -2.77 1.82 4.39 0.25 -3.22 114.58 115.16 3iga h GLU 187 Ca -0.18 -0.00 -0.70 0.00 0.34 0.00 0.00 59.36 58.82 3iga h GLU 187 Cb 2.01 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.60 3iga h GLU 187 CO 0.20 0.01 3.00 2.89 -1.16 0.00 0.00 179.01 183.95 3iga n ARG 188 N -5.12 4.13 -3.56 2.33 1.85 -0.50 -4.79 116.66 111.00 3iga n ARG 188 Ca -0.05 -2.85 -0.15 0.00 -1.00 0.00 0.00 57.85 53.81 3iga n ARG 188 Cb 0.07 -2.69 -0.06 0.00 -1.05 0.00 0.00 32.46 28.73 3iga n ARG 188 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3iga s HIS 189 N 0.35 -0.57 -0.12 2.89 3.76 -1.22 -5.01 115.29 115.37 3iga s HIS 189 Ca 0.61 1.08 0.13 0.00 -0.15 0.00 0.00 55.06 56.73 3iga s HIS 189 Cb 0.19 0.40 -0.18 0.00 1.11 0.00 0.00 32.58 34.10 3iga s HIS 189 CO -0.08 -0.47 0.10 -1.71 -0.85 0.00 0.00 174.74 171.73 3iga n ASN 190 N 1.17 1.54 -3.79 1.40 5.15 -1.26 -4.62 115.26 114.85 3iga n ASN 190 Ca -0.15 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.69 3iga n ASN 190 Cb 0.57 1.00 -0.15 0.00 -0.53 0.00 0.00 39.78 40.67 3iga n ASN 190 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3iga s SER 191 N -4.55 0.01 -0.15 1.20 1.04 -1.26 -0.61 113.70 109.38 3iga s SER 191 Ca -0.07 0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.48 3iga s SER 191 Cb 0.05 0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.20 3iga s SER 191 CO 0.59 -0.10 -0.20 -0.31 0.98 0.00 0.00 173.24 174.19 3iga s TYR 192 N 0.83 2.72 0.12 5.02 1.51 -0.33 -0.05 117.35 127.18 3iga s TYR 192 Ca -0.07 -1.39 0.10 0.00 -1.01 0.00 0.00 57.07 54.70 3iga s TYR 192 Cb -0.10 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 3iga s TYR 192 CO -0.03 -0.65 -0.24 -0.08 -1.11 0.00 0.00 175.55 173.44 3iga s THR 193 N 0.96 2.02 -0.11 -0.71 -1.32 -0.50 -1.52 115.64 114.47 3iga s THR 193 Ca -0.03 -1.69 0.01 0.00 -1.21 0.00 0.00 61.69 58.77 3iga s THR 193 Cb -0.15 -1.82 0.02 0.00 -1.51 0.00 0.00 72.50 69.04 3iga s THR 193 CO -0.05 0.00 -0.11 0.00 -2.21 0.00 0.00 174.62 172.25 3iga s GLU 195 N 1.31 3.03 -0.21 0.00 2.02 0.16 -1.67 118.70 123.33 3iga s GLU 195 Ca -0.01 -0.81 -0.09 0.00 0.02 0.00 0.00 54.97 54.07 3iga s GLU 195 Cb -0.14 -2.67 -0.05 0.00 0.10 0.00 0.00 34.13 31.38 3iga s GLU 195 CO -0.05 -0.22 0.12 0.00 0.02 0.00 0.00 175.26 175.12 3iga s ALA 196 N 1.32 3.54 -0.26 5.21 0.00 0.11 -0.45 121.76 131.22 3iga s ALA 196 Ca 0.05 -0.81 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 3iga s ALA 196 Cb -0.14 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 3iga s ALA 196 CO -0.11 -0.02 0.05 0.99 0.00 0.00 0.00 175.76 176.68 3iga s THR 197 N 0.72 4.02 -0.05 0.00 2.01 0.14 -0.63 115.64 121.84 3iga s THR 197 Ca 0.06 -0.39 -0.08 0.00 0.31 0.00 0.00 61.69 61.59 3iga s THR 197 Cb -0.13 -2.93 0.01 0.00 0.01 0.00 0.00 72.50 69.47 3iga s THR 197 CO 0.02 0.28 0.19 -2.28 -0.69 0.00 0.00 174.62 172.14 3iga s HIS 198 N 1.55 -0.15 0.60 4.92 5.04 -1.26 -1.90 115.29 124.09 3iga s HIS 198 Ca 0.05 0.34 0.28 0.00 -1.54 0.00 0.00 55.06 54.19 3iga s HIS 198 Cb -0.16 0.04 0.98 0.00 0.04 0.00 0.00 32.58 33.48 3iga s HIS 198 CO 0.02 -0.17 1.30 1.17 -2.34 0.00 0.00 174.74 174.72 3iga n LYS 199 N 2.45 0.01 0.20 2.88 4.81 -1.26 -0.95 118.16 126.30 3iga n LYS 199 Ca -0.16 1.02 0.06 0.00 -0.87 0.00 0.00 58.31 58.36 3iga n LYS 199 Cb 0.58 -2.51 0.39 0.00 0.02 0.00 0.00 35.03 33.51 3iga n LYS 199 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 3iga h THR 200 N 0.00 0.86 -3.72 3.15 1.35 -1.91 -3.44 112.91 109.21 3iga h THR 200 Ca 0.53 -1.36 -0.26 0.00 -0.55 0.00 0.00 66.41 64.77 3iga h THR 200 Cb 2.99 1.83 -0.29 0.00 -1.73 0.00 0.00 68.15 70.95 3iga h THR 200 CO -0.01 0.33 -0.73 -0.55 -0.25 0.00 0.00 175.52 174.32 3iga s SER 201 N -6.44 0.13 0.24 5.36 0.15 -0.12 -5.03 113.70 108.00 3iga s SER 201 Ca -0.00 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.66 3iga s SER 201 Cb 0.11 -0.03 0.28 0.00 -1.71 0.00 0.00 66.02 64.68 3iga s SER 201 CO 0.68 -0.01 1.60 0.71 1.20 0.00 0.00 173.24 177.41 3iga h THR 202 N 5.34 1.34 -3.31 6.45 1.35 -1.86 -3.39 112.91 118.82 3iga h THR 202 Ca -0.28 -1.73 -0.57 0.00 -0.55 0.00 0.00 66.41 63.28 3iga h THR 202 Cb 1.19 1.78 -0.06 0.00 -1.73 0.00 0.00 68.15 69.33 3iga h THR 202 CO 0.50 0.52 -0.06 -0.44 -0.25 0.00 0.00 175.52 175.80 3iga s SER 203 N -6.89 6.85 0.46 5.36 0.01 -1.26 -4.99 113.70 113.25 3iga s SER 203 Ca -0.05 1.01 -0.23 0.00 1.31 0.00 0.00 55.95 57.99 3iga s SER 203 Cb 0.12 -2.33 -0.07 0.00 0.21 0.00 0.00 66.02 63.95 3iga s SER 203 CO 0.80 0.04 1.22 -2.16 0.41 0.00 0.00 173.24 173.55 3iga s PRO 204 N 0.25 3.69 -0.09 12.44 0.04 -1.26 -4.87 135.00 145.20 3iga s PRO 204 Ca 0.30 1.93 -0.25 0.00 0.04 0.00 0.00 61.00 63.02 3iga s PRO 204 Cb -0.17 -2.45 -0.03 0.00 0.04 0.00 0.00 34.50 31.89 3iga s PRO 204 CO 0.14 -0.65 0.79 0.42 0.04 0.00 0.00 177.00 177.74 3iga s ILE 205 N -1.44 4.96 0.23 0.56 1.01 0.19 -4.85 121.20 121.86 3iga s ILE 205 Ca 0.64 1.60 0.11 0.00 0.00 0.00 0.00 60.65 63.00 3iga s ILE 205 Cb -0.33 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 3iga s ILE 205 CO 0.40 0.16 -0.21 0.68 0.00 0.00 0.00 174.94 175.97 3iga s VAL 206 N 1.31 2.50 -0.24 2.92 -7.23 -1.26 0.05 120.40 118.44 3iga s VAL 206 Ca 0.40 -2.16 -0.19 0.00 -1.81 0.00 0.00 61.98 58.22 3iga s VAL 206 Cb -0.18 -2.26 0.07 0.00 0.56 0.00 0.00 36.38 34.57 3iga s VAL 206 CO 0.18 -0.25 0.62 -0.54 -0.31 0.00 0.00 175.10 174.80 3iga s LYS 207 N -3.07 0.69 0.35 4.82 -0.14 -0.67 -5.01 119.74 116.70 3iga s LYS 207 Ca 0.25 0.95 -0.13 0.00 -1.36 0.00 0.00 55.97 55.68 3iga s LYS 207 Cb -0.07 0.26 0.04 0.00 -1.68 0.00 0.00 37.83 36.38 3iga s LYS 207 CO 0.13 -0.11 0.70 -1.54 -0.76 0.00 0.00 175.35 173.76 3iga s SER 208 N 0.79 0.15 0.00 2.83 1.04 -1.26 0.09 113.70 117.35 3iga s SER 208 Ca -0.04 -1.13 -0.29 0.00 0.48 0.00 0.00 55.95 54.97 3iga s SER 208 Cb -0.05 0.78 0.07 0.00 0.10 0.00 0.00 66.02 66.93 3iga s SER 208 CO -0.06 -1.53 0.69 0.72 0.98 0.00 0.00 173.24 174.03 3iga s PHE 209 N -2.78 -0.60 -0.09 5.02 -0.12 -0.57 -4.99 117.98 113.85 3iga s PHE 209 Ca 0.18 0.85 -0.08 0.00 -0.05 0.00 0.00 56.93 57.83 3iga s PHE 209 Cb -0.04 0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 3iga s PHE 209 CO 0.13 -0.66 0.19 -0.80 -0.05 0.00 0.00 175.22 174.03 3iga s ASN 210 N -1.66 6.46 0.65 1.98 0.01 -1.26 -1.18 114.94 119.94 3iga s ASN 210 Ca -0.07 0.54 0.34 0.00 -0.71 0.00 0.00 52.86 52.97 3iga s ASN 210 Cb -0.00 -2.09 1.88 0.00 0.41 0.00 0.00 41.25 41.45 3iga s ASN 210 CO 0.02 0.38 2.09 -0.09 -1.51 0.00 0.00 177.10 177.99 3iga h ARG 211 N 4.80 0.00 -0.03 -0.60 2.43 -1.12 -3.48 114.38 116.39 3iga h ARG 211 Ca -0.54 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3iga h ARG 211 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3iga h ARG 211 CO 0.60 0.00 0.00 0.27 -1.51 0.00 0.00 179.97 179.33