#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibr s VAL 7 N 0.00 1.32 0.36 -1.45 -7.23 -1.26 -4.99 120.40 107.15 3ibr s VAL 7 Ca 0.00 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 3ibr s VAL 7 Cb 0.00 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 35.03 3ibr s VAL 7 CO 0.00 -0.53 0.03 0.35 -0.31 0.00 0.00 175.10 174.63 3ibr n THR 8 N 4.68 0.00 0.28 5.32 -2.24 -1.26 -4.95 114.28 116.11 3ibr n THR 8 Ca -0.03 -1.65 0.17 0.00 -2.27 0.00 0.00 64.05 60.27 3ibr n THR 8 Cb 0.43 0.29 0.82 0.00 -2.10 0.00 0.00 70.33 69.77 3ibr n THR 8 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3ibr h LEU 9 N 0.00 0.00 0.00 3.22 -0.00 -2.00 -0.42 115.31 116.11 3ibr h LEU 9 Ca -0.29 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.44 3ibr h LEU 9 Cb 0.88 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.52 3ibr h LEU 9 CO 0.48 0.06 -0.74 0.00 -0.00 0.00 0.00 178.44 178.24 3ibr h ALA 10 N 1.94 0.56 -0.03 1.53 0.00 -2.02 -3.34 119.26 117.91 3ibr h ALA 10 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3ibr h ALA 10 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ibr h ALA 10 CO 0.01 0.87 -0.07 -1.71 0.00 0.00 0.00 179.25 178.35 3ibr n ASN 11 N -3.25 2.77 0.12 0.00 5.15 -0.30 -4.24 115.26 115.51 3ibr n ASN 11 Ca 0.00 -1.88 -0.02 0.00 -0.60 0.00 0.00 54.58 52.08 3ibr n ASN 11 Cb 0.82 0.07 0.15 0.00 -0.53 0.00 0.00 39.78 40.29 3ibr n ASN 11 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ibr h GLU 13 N 0.04 1.03 -0.30 0.00 4.11 -1.81 -3.27 114.58 114.38 3ibr h GLU 13 Ca -0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.36 3ibr h GLU 13 Cb 1.13 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3ibr h GLU 13 CO 0.09 0.68 0.00 -0.25 0.07 0.00 0.00 179.01 179.60 3ibr n ASP 14 N -4.46 3.67 -4.74 3.06 10.43 -1.24 -4.62 116.55 118.64 3ibr n ASP 14 Ca 0.12 -2.72 -0.41 0.00 2.57 0.00 0.00 54.79 54.35 3ibr n ASP 14 Cb 0.14 -0.46 -0.03 0.00 1.84 0.00 0.00 41.12 42.61 3ibr n ASP 14 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 3ibr s GLU 15 N -2.29 4.33 -1.21 -1.24 2.12 -1.24 -4.94 118.70 114.22 3ibr s GLU 15 Ca 0.37 2.17 -0.14 0.00 0.36 0.00 0.00 54.97 57.73 3ibr s GLU 15 Cb 0.28 -3.16 0.17 0.00 0.26 0.00 0.00 34.13 31.68 3ibr s GLU 15 CO 0.11 -0.35 1.43 -1.25 -0.54 0.00 0.00 175.26 174.66 3ibr s PRO 16 N -0.08 4.10 0.00 4.30 0.05 -1.26 -4.80 135.00 137.31 3ibr s PRO 16 Ca 0.59 -2.61 0.26 0.00 0.05 0.00 0.00 61.00 59.29 3ibr s PRO 16 Cb -0.39 -5.05 1.34 0.00 0.05 0.00 0.00 34.50 30.45 3ibr s PRO 16 CO 0.39 -1.75 1.89 0.44 0.05 0.00 0.00 177.00 178.02 3ibr n ILE 17 N 4.54 0.14 0.08 0.56 -5.35 -1.26 -2.58 119.36 115.50 3ibr n ILE 17 Ca 0.36 0.04 -0.02 0.00 -0.27 0.00 0.00 62.75 62.86 3ibr n ILE 17 Cb 0.43 -0.60 -0.05 0.00 -1.74 0.00 0.00 39.64 37.67 3ibr n ILE 17 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 3ibr h HIS 18 N 0.00 0.00 -3.00 4.28 2.07 -1.94 -3.40 115.15 113.15 3ibr h HIS 18 Ca 0.00 0.00 -0.62 0.00 -2.85 0.00 0.00 60.37 56.90 3ibr h HIS 18 Cb 0.23 0.00 -0.41 0.00 2.57 0.00 0.00 27.41 29.80 3ibr h HIS 18 CO 0.00 0.70 -0.67 0.14 -3.07 0.00 0.00 177.93 175.03 3ibr s VAL 19 N -2.85 2.22 -0.06 6.12 -7.23 -1.07 -1.46 120.40 116.07 3ibr s VAL 19 Ca 0.01 -3.61 -0.01 0.00 -1.81 0.00 0.00 61.98 56.56 3ibr s VAL 19 Cb 0.08 -2.49 -0.26 0.00 0.56 0.00 0.00 36.38 34.28 3ibr s VAL 19 CO 0.79 -0.99 0.61 -0.65 -0.31 0.00 0.00 175.10 174.54 3ibr h PRO 20 N 5.81 0.20 -0.04 4.82 0.11 -1.78 -3.47 132.00 137.64 3ibr h PRO 20 Ca 0.11 -0.34 -0.02 0.00 0.11 0.00 0.00 66.00 65.86 3ibr h PRO 20 Cb 0.83 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3ibr h PRO 20 CO 0.62 1.00 -0.02 0.41 -0.21 0.00 0.00 178.00 179.81 3ibr n GLY 21 N 1.77 0.44 3.42 -0.55 0.00 -1.26 -5.01 105.19 104.00 3ibr n GLY 21 Ca -0.23 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.59 3ibr n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibr s ALA 22 N -2.03 -1.35 0.12 4.61 0.00 -1.26 -0.32 121.76 121.52 3ibr s ALA 22 Ca 0.00 1.18 0.01 0.00 0.00 0.00 0.00 51.96 53.14 3ibr s ALA 22 Cb 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.76 3ibr s ALA 22 CO 0.00 -0.30 0.06 0.44 0.00 0.00 0.00 175.76 175.96 3ibr n ILE 23 N 1.80 0.00 -3.19 0.00 -5.35 -1.26 -1.91 119.36 109.45 3ibr n ILE 23 Ca -0.17 -0.51 -0.26 0.00 -0.27 0.00 0.00 62.75 61.54 3ibr n ILE 23 Cb 0.56 -0.20 -0.01 0.00 -1.74 0.00 0.00 39.64 38.25 3ibr n ILE 23 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3ibr s GLN 24 N -2.47 3.53 0.00 6.28 -0.21 0.22 -4.58 119.66 122.42 3ibr s GLN 24 Ca 0.04 -0.14 0.28 0.00 0.02 0.00 0.00 55.36 55.57 3ibr s GLN 24 Cb -0.00 -2.59 1.12 0.00 1.00 0.00 0.00 33.01 32.54 3ibr s GLN 24 CO 0.03 0.07 1.84 -2.30 -2.12 0.00 0.00 175.29 172.81 3ibr n PRO 25 N -1.74 0.03 -0.05 2.91 -0.02 -1.26 -3.81 135.00 131.06 3ibr n PRO 25 Ca -0.03 -0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.46 3ibr n PRO 25 Cb 0.55 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.58 3ibr n PRO 25 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3ibr n HIS 26 N -1.48 0.13 -3.25 6.00 1.44 -1.26 -4.79 115.22 112.01 3ibr n HIS 26 Ca 0.07 -0.06 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 3ibr n HIS 26 Cb 0.33 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.44 3ibr n HIS 26 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3ibr n GLY 27 N 0.62 3.05 3.25 -1.39 0.00 -1.25 -3.10 105.19 106.36 3ibr n GLY 27 Ca 0.03 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 3ibr n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibr s ALA 28 N -1.43 -0.64 -0.04 4.61 0.00 -1.11 -4.94 121.76 118.21 3ibr s ALA 28 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.90 3ibr s ALA 28 Cb 0.00 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.50 3ibr s ALA 28 CO 0.00 -0.44 -0.12 -1.17 0.00 0.00 0.00 175.76 174.03 3ibr s LEU 29 N -2.23 1.76 -0.13 0.00 2.96 -1.26 -0.92 118.68 118.86 3ibr s LEU 29 Ca -0.03 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3ibr s LEU 29 Cb 0.00 -0.73 0.02 0.00 0.50 0.00 0.00 46.19 45.98 3ibr s LEU 29 CO -0.05 0.07 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.22 3ibr s VAL 30 N 0.32 1.55 0.06 1.68 1.01 -0.90 -0.49 120.40 123.63 3ibr s VAL 30 Ca -0.07 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 3ibr s VAL 30 Cb -0.12 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 3ibr s VAL 30 CO 0.02 0.45 0.35 0.42 0.00 0.00 0.00 175.10 176.34 3ibr s THR 31 N 1.30 5.17 -0.04 3.92 -4.23 -0.44 -0.02 115.64 121.29 3ibr s THR 31 Ca 0.01 0.30 -0.04 0.00 -1.18 0.00 0.00 61.69 60.78 3ibr s THR 31 Cb -0.14 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.09 3ibr s THR 31 CO -0.07 0.28 0.11 -0.76 -0.54 0.00 0.00 174.62 173.64 3ibr s LEU 32 N -1.96 1.60 0.00 4.79 1.02 0.15 -1.71 118.68 122.57 3ibr s LEU 32 Ca 0.32 0.17 -0.15 0.00 0.02 0.00 0.00 54.13 54.49 3ibr s LEU 32 Cb -0.13 0.39 0.21 0.00 0.02 0.00 0.00 46.19 46.68 3ibr s LEU 32 CO 0.18 -0.07 1.08 -2.11 0.02 0.00 0.00 176.35 175.45 3ibr n ARG 33 N 2.85 -1.50 0.22 1.70 1.85 -1.26 -0.36 116.66 120.16 3ibr n ARG 33 Ca -0.13 -1.67 0.15 0.00 -1.00 0.00 0.00 57.85 55.19 3ibr n ARG 33 Cb 0.59 -1.21 0.76 0.00 -1.05 0.00 0.00 32.46 31.55 3ibr n ARG 33 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3ibr h ALA 34 N -2.01 1.00 -0.67 2.89 0.00 -1.97 0.48 119.26 118.97 3ibr h ALA 34 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3ibr h ALA 34 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3ibr h ALA 34 CO 0.25 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.10 3ibr n ASP 35 N -2.56 3.89 -1.42 0.00 5.75 -1.26 -4.88 116.55 116.07 3ibr n ASP 35 Ca -0.01 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 3ibr n ASP 35 Cb 0.10 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 3ibr n ASP 35 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ibr n GLY 36 N 1.43 -2.75 3.12 6.12 0.00 0.17 -5.09 105.19 108.18 3ibr n GLY 36 Ca 0.23 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 3ibr n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ibr s VAL 38 N 0.00 1.92 -0.16 1.61 1.01 0.48 -4.49 120.40 120.77 3ibr s VAL 38 Ca 0.00 -0.87 0.16 0.00 0.00 0.00 0.00 61.98 61.26 3ibr s VAL 38 Cb 0.00 -1.73 -0.22 0.00 0.00 0.00 0.00 36.38 34.43 3ibr s VAL 38 CO 0.00 0.52 0.09 0.18 0.00 0.00 0.00 175.10 175.89 3ibr n LEU 39 N 4.38 0.00 -3.48 3.92 4.77 -0.69 -0.72 117.00 125.18 3ibr n LEU 39 Ca -0.20 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.67 3ibr n LEU 39 Cb 0.51 0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.96 3ibr n LEU 39 CO 0.25 0.39 0.39 0.00 -1.33 0.00 0.00 177.39 177.09 3ibr s ALA 40 N -2.49 -1.51 -0.05 -1.18 0.00 -1.20 -4.24 121.76 111.09 3ibr s ALA 40 Ca -0.08 0.37 -0.21 0.00 0.00 0.00 0.00 51.96 52.04 3ibr s ALA 40 Cb 0.06 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.09 3ibr s ALA 40 CO 0.71 -0.79 0.46 0.00 0.00 0.00 0.00 175.76 176.15 3ibr s ALA 41 N -3.77 -1.19 1.01 0.00 0.00 -1.06 -1.33 121.76 115.42 3ibr s ALA 41 Ca 0.02 0.81 -0.12 0.00 0.00 0.00 0.00 51.96 52.67 3ibr s ALA 41 Cb -0.01 -0.06 0.16 0.00 0.00 0.00 0.00 23.12 23.20 3ibr s ALA 41 CO -0.11 -0.30 0.84 -1.13 0.00 0.00 0.00 175.76 175.06 3ibr n SER 42 N 1.34 -0.97 -0.07 0.00 3.41 0.36 -2.93 113.62 114.76 3ibr n SER 42 Ca -0.20 0.20 0.13 0.00 -0.26 0.00 0.00 58.87 58.75 3ibr n SER 42 Cb 0.56 -1.31 0.48 0.00 -0.26 0.00 0.00 64.21 63.68 3ibr n SER 42 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3ibr n GLU 43 N -3.66 0.35 -0.23 4.33 0.28 -0.29 -3.52 120.64 117.90 3ibr n GLU 43 Ca 0.08 -0.14 0.12 0.00 -0.16 0.00 0.00 57.16 57.05 3ibr n GLU 43 Cb 0.54 -1.50 0.24 0.00 1.43 0.00 0.00 31.44 32.15 3ibr n GLU 43 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3ibr n ASN 44 N -1.20 3.57 -0.34 -1.84 6.94 -1.26 -4.48 115.26 116.64 3ibr n ASN 44 Ca 0.10 -1.99 0.13 0.00 -0.02 0.00 0.00 54.58 52.80 3ibr n ASN 44 Cb 0.32 -0.30 0.33 0.00 -2.36 0.00 0.00 39.78 37.77 3ibr n ASN 44 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 3ibr h ILE 45 N 4.42 0.74 -0.22 1.53 -0.00 -1.90 1.09 117.51 123.17 3ibr h ILE 45 Ca 0.00 -0.26 -0.16 0.00 -0.00 0.00 0.00 64.86 64.44 3ibr h ILE 45 Cb 0.99 -0.09 0.00 0.00 -0.00 0.00 0.00 36.82 37.72 3ibr h ILE 45 CO 0.00 0.14 -0.48 -0.61 -0.00 0.00 0.00 178.15 177.20 3ibr h GLN 46 N 0.76 0.72 -0.34 0.16 4.15 -1.63 0.23 115.11 119.15 3ibr h GLN 46 Ca 0.55 -0.48 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 3ibr h GLN 46 Cb 0.87 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.61 3ibr h GLN 46 CO -0.34 1.10 0.16 0.00 -1.93 0.00 0.00 178.83 177.82 3ibr h ALA 47 N 0.61 0.44 0.08 3.38 0.00 -1.22 -3.19 119.26 119.37 3ibr h ALA 47 Ca 0.00 -0.11 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 3ibr h ALA 47 Cb 1.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3ibr h ALA 47 CO 0.11 0.02 -1.12 -0.07 0.00 0.00 0.00 179.25 178.18 3ibr h LEU 48 N 0.41 0.45 -8.55 0.00 4.07 0.11 -3.48 115.31 108.32 3ibr h LEU 48 Ca 0.12 -0.43 -0.22 0.00 0.08 0.00 0.00 57.88 57.42 3ibr h LEU 48 Cb 0.14 -0.14 -0.15 0.00 1.08 0.00 0.00 40.66 41.59 3ibr h LEU 48 CO -0.01 1.29 -0.60 -0.76 -1.08 0.00 0.00 178.44 177.28 3ibr s LEU 49 N -7.36 1.19 0.13 1.67 1.43 0.80 -4.80 118.68 111.74 3ibr s LEU 49 Ca -0.04 -1.34 -0.19 0.00 -1.03 0.00 0.00 54.13 51.52 3ibr s LEU 49 Cb 0.08 0.43 -0.05 0.00 0.03 0.00 0.00 46.19 46.68 3ibr s LEU 49 CO 0.87 -0.84 1.77 1.23 0.23 0.00 0.00 176.35 179.62 3ibr h GLY 50 N 2.64 0.29 -1.24 -3.19 0.00 -1.76 -3.29 103.07 96.51 3ibr h GLY 50 Ca -0.35 -0.09 -0.50 0.00 0.00 0.00 0.00 47.33 46.38 3ibr h GLY 50 CO 0.53 0.09 0.19 -0.11 0.00 0.00 0.00 176.54 177.24 3ibr s PHE 51 N -6.18 1.62 -0.53 5.60 -0.12 -1.26 -4.75 117.98 112.36 3ibr s PHE 51 Ca -0.13 1.67 0.02 0.00 -0.05 0.00 0.00 56.93 58.44 3ibr s PHE 51 Cb 0.09 -3.28 0.14 0.00 -0.63 0.00 0.00 43.02 39.33 3ibr s PHE 51 CO 0.69 -2.96 0.29 0.08 -0.05 0.00 0.00 175.22 173.27 3ibr s VAL 52 N -2.63 2.90 -0.25 -2.49 1.01 -1.26 -3.54 120.40 114.14 3ibr s VAL 52 Ca 0.67 -3.10 -0.29 0.00 0.00 0.00 0.00 61.98 59.26 3ibr s VAL 52 Cb -0.23 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 3ibr s VAL 52 CO 0.59 -0.80 1.86 0.00 0.00 0.00 0.00 175.10 176.75 3ibr s ALA 53 N -0.08 3.00 -0.12 5.51 0.00 -1.26 -4.96 121.76 123.85 3ibr s ALA 53 Ca 0.16 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.64 3ibr s ALA 53 Cb -0.24 -3.97 -0.02 0.00 0.00 0.00 0.00 23.12 18.89 3ibr s ALA 53 CO -0.02 -2.40 -0.12 -1.54 0.00 0.00 0.00 175.76 171.68 3ibr s SER 54 N 5.96 4.12 0.09 0.00 1.04 -1.26 -4.70 113.70 118.94 3ibr s SER 54 Ca 0.83 -0.27 -0.37 0.00 0.48 0.00 0.00 55.95 56.62 3ibr s SER 54 Cb -0.27 -1.49 -0.17 0.00 0.10 0.00 0.00 66.02 64.19 3ibr s SER 54 CO 0.33 0.20 1.26 -2.65 0.98 0.00 0.00 173.24 173.37 3ibr n PRO 55 N 3.28 0.96 0.00 4.02 -0.02 -1.26 -0.59 135.00 141.39 3ibr n PRO 55 Ca -0.18 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3ibr n PRO 55 Cb 0.53 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3ibr n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ibr n GLY 56 N 2.29 3.11 3.58 -1.23 0.00 0.11 -5.00 105.19 108.05 3ibr n GLY 56 Ca 0.18 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 3ibr n GLY 56 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ibr n SER 57 N 0.88 0.64 -4.74 1.61 2.88 0.24 -4.56 113.62 110.57 3ibr n SER 57 Ca 0.00 0.90 -0.31 0.00 -1.33 0.00 0.00 58.87 58.13 3ibr n SER 57 Cb 0.00 -1.33 -0.07 0.00 -0.75 0.00 0.00 64.21 62.06 3ibr n SER 57 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3ibr s TYR 58 N -1.44 3.11 0.54 0.66 2.02 -1.26 -0.39 117.35 120.58 3ibr s TYR 58 Ca 0.69 0.04 -0.20 0.00 -0.37 0.00 0.00 57.07 57.23 3ibr s TYR 58 Cb -0.49 -1.60 -0.06 0.00 -0.40 0.00 0.00 41.96 39.42 3ibr s TYR 58 CO 0.53 0.50 1.14 -0.51 -1.57 0.00 0.00 175.55 175.65 3ibr s LEU 59 N -2.28 3.78 0.07 -1.29 2.01 -1.26 -5.00 118.68 114.71 3ibr s LEU 59 Ca 0.27 2.22 0.06 0.00 0.01 0.00 0.00 54.13 56.69 3ibr s LEU 59 Cb -0.12 -4.54 -0.03 0.00 0.01 0.00 0.00 46.19 41.51 3ibr s LEU 59 CO 0.19 -1.22 -0.16 0.42 1.01 0.00 0.00 176.35 176.59 3ibr s THR 60 N -1.72 1.30 0.50 5.49 -4.23 -1.26 -5.03 115.64 110.69 3ibr s THR 60 Ca 0.72 -1.32 0.32 0.00 -1.18 0.00 0.00 61.69 60.22 3ibr s THR 60 Cb -0.25 -1.21 0.51 0.00 1.34 0.00 0.00 72.50 72.88 3ibr s THR 60 CO 0.29 -0.13 1.80 1.56 -0.54 0.00 0.00 174.62 177.60 3ibr h GLN 61 N 4.34 0.10 -0.05 3.99 4.20 -1.96 0.12 115.11 125.84 3ibr h GLN 61 Ca -0.42 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.28 3ibr h GLN 61 Cb 1.19 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3ibr h GLN 61 CO 0.41 0.06 0.00 0.39 -0.67 0.00 0.00 178.83 179.02 3ibr n GLU 62 N -4.31 1.24 -0.07 1.46 4.71 -1.26 -0.50 120.64 121.91 3ibr n GLU 62 Ca 0.25 -0.36 -0.10 0.00 -0.01 0.00 0.00 57.16 56.94 3ibr n GLU 62 Cb 1.13 -1.33 -0.08 0.00 -1.01 0.00 0.00 31.44 30.16 3ibr n GLU 62 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3ibr n GLN 63 N -0.43 0.74 0.00 3.49 6.02 0.40 -4.87 117.38 122.73 3ibr n GLN 63 Ca 0.15 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 3ibr n GLN 63 Cb 0.15 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.10 3ibr n GLN 63 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 3ibr n VAL 64 N -2.85 0.00 0.00 5.09 3.14 -1.12 -4.77 118.33 117.82 3ibr n VAL 64 Ca -0.26 -0.21 0.00 0.00 -2.96 0.00 0.00 64.34 60.91 3ibr n VAL 64 Cb 0.82 1.33 0.00 0.00 -1.06 0.00 0.00 33.84 34.93 3ibr n VAL 64 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ibr n GLY 65 N 0.18 -1.67 0.09 7.55 0.00 0.34 -4.29 105.19 107.39 3ibr n GLY 65 Ca 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 46.02 44.43 3ibr n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ibr h PRO 66 N 0.00 0.00 -0.11 1.61 0.14 -1.94 -3.14 132.00 128.56 3ibr h PRO 66 Ca 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 66.00 66.14 3ibr h PRO 66 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.13 3ibr h PRO 66 CO 0.00 0.42 0.07 0.93 0.14 0.00 0.00 178.00 179.56 3ibr h GLU 67 N 0.00 0.15 0.27 0.86 5.08 -1.97 0.77 114.58 119.74 3ibr h GLU 67 Ca -0.21 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3ibr h GLU 67 Cb 1.80 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.02 3ibr h GLU 67 CO 0.07 0.16 -0.13 0.28 -1.00 0.00 0.00 179.01 178.39 3ibr h VAL 68 N 0.10 0.77 -0.87 3.13 2.07 -1.75 -3.05 116.25 116.66 3ibr h VAL 68 Ca 0.04 -0.25 0.11 0.00 0.82 0.00 0.00 66.70 67.42 3ibr h VAL 68 Cb 0.05 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 3ibr h VAL 68 CO -0.01 0.05 0.56 -0.07 0.02 0.00 0.00 177.57 178.13 3ibr h LEU 69 N -0.49 0.73 -1.03 2.57 3.38 -1.45 0.25 115.31 119.27 3ibr h LEU 69 Ca -0.04 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ibr h LEU 69 Cb 0.37 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3ibr h LEU 69 CO 0.06 0.41 0.00 -1.14 0.09 0.00 0.00 178.44 177.86 3ibr n ARG 70 N -4.54 0.36 0.00 1.13 0.63 0.27 -2.13 116.66 112.38 3ibr n ARG 70 Ca 0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 3ibr n ARG 70 Cb 0.36 -1.19 0.00 0.00 0.45 0.00 0.00 32.46 32.09 3ibr n ARG 70 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3ibr n LEU 72 N 0.33 0.00 -0.12 6.15 7.94 0.89 -2.42 117.00 129.78 3ibr n LEU 72 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 3ibr n LEU 72 Cb 0.09 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.02 3ibr n LEU 72 CO 0.00 0.00 0.75 -0.33 -1.11 0.00 0.00 177.39 176.70 3ibr h GLU 73 N 0.00 0.64 -0.63 1.96 4.39 -1.65 0.46 114.58 119.75 3ibr h GLU 73 Ca 0.00 -0.22 0.13 0.00 0.34 0.00 0.00 59.36 59.61 3ibr h GLU 73 Cb 0.00 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 3ibr h GLU 73 CO 0.00 0.78 0.43 1.49 -1.16 0.00 0.00 179.01 180.55 3ibr h GLU 74 N 0.44 0.27 0.02 2.33 4.81 -1.77 -2.49 114.58 118.19 3ibr h GLU 74 Ca 0.09 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 3ibr h GLU 74 Cb 0.51 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.84 3ibr h GLU 74 CO 0.02 0.18 -0.50 0.78 -0.73 0.00 0.00 179.01 178.76 3ibr h GLY 75 N 0.28 0.34 2.00 1.92 0.00 -1.59 -1.23 103.07 104.80 3ibr h GLY 75 Ca 0.30 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 3ibr h GLY 75 CO -0.07 0.57 -0.14 1.41 0.00 0.00 0.00 176.54 178.31 3ibr h LEU 76 N -0.29 0.00 0.00 3.11 4.07 -0.58 -3.07 115.31 118.55 3ibr h LEU 76 Ca -0.07 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.86 3ibr h LEU 76 Cb 1.26 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 3ibr h LEU 76 CO 0.10 0.14 -1.78 0.35 -1.08 0.00 0.00 178.44 176.17 3ibr n THR 77 N -3.69 0.12 -0.69 0.22 -2.24 -0.97 -4.97 114.28 102.06 3ibr n THR 77 Ca -0.02 -0.40 -0.29 0.00 -2.27 0.00 0.00 64.05 61.07 3ibr n THR 77 Cb 0.26 0.05 0.22 0.00 -2.10 0.00 0.00 70.33 68.75 3ibr n THR 77 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3ibr s GLY 78 N -3.98 1.59 -0.25 3.38 0.00 -0.46 -5.02 107.32 102.58 3ibr s GLY 78 Ca -0.06 0.05 -0.15 0.00 0.00 0.00 0.00 44.72 44.55 3ibr s GLY 78 CO 0.67 0.66 -0.33 0.70 0.00 0.00 0.00 173.10 174.81 3ibr n ASN 79 N -4.61 1.95 -1.09 1.64 3.02 -1.26 -4.97 115.26 109.93 3ibr n ASN 79 Ca 0.06 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 3ibr n ASN 79 Cb 0.54 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 3ibr n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ibr n GLY 80 N 1.31 1.02 3.63 7.41 0.00 -1.26 -4.97 105.19 112.33 3ibr n GLY 80 Ca -0.44 -1.91 -0.55 0.00 0.00 0.00 0.00 46.02 43.12 3ibr n GLY 80 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ibr n PRO 81 N -0.10 1.03 -4.06 1.61 -0.02 -1.26 -4.93 135.00 127.27 3ibr n PRO 81 Ca 0.00 0.38 -0.36 0.00 -2.02 0.00 0.00 63.50 61.50 3ibr n PRO 81 Cb 0.00 -2.02 -0.08 0.00 -0.02 0.00 0.00 33.50 31.38 3ibr n PRO 81 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3ibr s TRP 82 N 1.59 3.39 -0.12 6.00 -0.00 -1.26 -4.99 118.94 123.55 3ibr s TRP 82 Ca 0.90 0.34 -0.09 0.00 -0.00 0.00 0.00 56.10 57.25 3ibr s TRP 82 Cb -1.03 -1.92 0.04 0.00 -0.00 0.00 0.00 33.47 30.56 3ibr s TRP 82 CO 0.55 0.55 0.31 0.45 -0.00 0.00 0.00 176.95 178.81 3ibr s SER 83 N -0.73 -0.34 0.00 5.86 0.15 -1.26 -2.50 113.70 114.88 3ibr s SER 83 Ca 0.12 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.41 3ibr s SER 83 Cb -0.12 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 3ibr s SER 83 CO 0.03 -0.13 0.00 -3.20 1.20 0.00 0.00 173.24 171.13 3ibr n ASN 84 N 3.39 0.00 -4.05 5.45 2.85 -0.92 -5.00 115.26 116.97 3ibr n ASN 84 Ca -0.17 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.20 3ibr n ASN 84 Cb 0.56 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.51 3ibr n ASN 84 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3ibr s SER 85 N 0.00 0.03 -0.01 1.20 1.04 -1.26 -0.63 113.70 114.07 3ibr s SER 85 Ca 0.00 -1.06 -0.13 0.00 0.48 0.00 0.00 55.95 55.24 3ibr s SER 85 Cb 0.00 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.61 3ibr s SER 85 CO 0.00 -0.97 0.26 -0.69 0.98 0.00 0.00 173.24 172.82 3ibr s VAL 86 N -4.05 0.07 -0.52 5.02 1.01 -1.03 -5.01 120.40 115.89 3ibr s VAL 86 Ca 0.26 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 3ibr s VAL 86 Cb 0.03 -0.59 0.13 0.00 0.00 0.00 0.00 36.38 35.95 3ibr s VAL 86 CO 0.07 -0.30 0.41 -0.70 0.00 0.00 0.00 175.10 174.58 3ibr s GLU 87 N -1.42 2.64 0.04 2.72 2.12 -1.26 -1.92 118.70 121.61 3ibr s GLU 87 Ca -0.13 -1.87 0.06 0.00 0.36 0.00 0.00 54.97 53.39 3ibr s GLU 87 Cb -0.06 -4.00 -0.03 0.00 0.26 0.00 0.00 34.13 30.30 3ibr s GLU 87 CO 0.03 -1.22 -0.16 -0.08 -0.54 0.00 0.00 175.26 173.29 3ibr s THR 88 N 1.20 2.97 -0.11 -1.70 -1.32 -1.12 -4.93 115.64 110.63 3ibr s THR 88 Ca 0.07 -1.12 -0.23 0.00 -1.21 0.00 0.00 61.69 59.20 3ibr s THR 88 Cb -0.25 -2.27 -0.03 0.00 -1.51 0.00 0.00 72.50 68.44 3ibr s THR 88 CO -0.01 0.34 0.70 -0.60 -2.21 0.00 0.00 174.62 172.83 3ibr s ARG 89 N -1.47 4.36 0.15 7.08 3.52 -1.26 -1.04 118.95 130.28 3ibr s ARG 89 Ca 0.15 0.82 0.01 0.00 -0.13 0.00 0.00 55.73 56.59 3ibr s ARG 89 Cb -0.11 -3.50 0.01 0.00 -1.56 0.00 0.00 34.95 29.80 3ibr s ARG 89 CO 0.06 -0.06 0.11 -0.89 -0.81 0.00 0.00 175.30 173.71 3ibr n ILE 90 N 4.13 0.00 -0.21 4.11 5.41 0.43 -4.89 119.36 128.34 3ibr n ILE 90 Ca -0.01 -0.57 -0.10 0.00 1.00 0.00 0.00 62.75 63.07 3ibr n ILE 90 Cb 0.51 -0.40 -0.06 0.00 -0.71 0.00 0.00 39.64 38.97 3ibr n ILE 90 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3ibr h GLY 91 N 0.17 -0.68 0.23 7.39 0.00 -1.93 -3.26 103.07 104.98 3ibr h GLY 91 Ca -0.09 0.65 -0.38 0.00 0.00 0.00 0.00 47.33 47.51 3ibr h GLY 91 CO 0.14 -0.12 -2.20 1.18 0.00 0.00 0.00 176.54 175.54 3ibr n GLU 92 N -5.38 0.68 -4.49 4.80 -0.58 -1.26 -5.03 120.64 109.38 3ibr n GLU 92 Ca 0.00 0.24 -0.24 0.00 -0.42 0.00 0.00 57.16 56.74 3ibr n GLU 92 Cb 0.34 -1.61 -0.08 0.00 -0.57 0.00 0.00 31.44 29.51 3ibr n GLU 92 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3ibr s HIS 93 N -2.52 1.79 -0.13 -0.32 3.76 -1.23 -5.14 115.29 111.50 3ibr s HIS 93 Ca -0.30 -1.26 -0.07 0.00 -0.15 0.00 0.00 55.06 53.28 3ibr s HIS 93 Cb 0.08 -1.14 -0.04 0.00 1.11 0.00 0.00 32.58 32.60 3ibr s HIS 93 CO 0.65 -0.29 0.14 -1.17 -0.85 0.00 0.00 174.74 173.21 3ibr s LEU 94 N -3.57 4.35 0.16 0.89 0.20 -1.26 -0.43 118.68 119.02 3ibr s LEU 94 Ca 0.27 0.43 0.07 0.00 0.69 0.00 0.00 54.13 55.59 3ibr s LEU 94 Cb 0.03 -2.07 -0.04 0.00 -0.43 0.00 0.00 46.19 43.69 3ibr s LEU 94 CO 0.15 0.38 -0.15 -0.36 -0.29 0.00 0.00 176.35 176.09 3ibr s PHE 95 N -0.87 1.58 -0.54 5.38 0.40 -0.21 -1.19 117.98 122.54 3ibr s PHE 95 Ca 0.14 -0.56 -0.08 0.00 -0.60 0.00 0.00 56.93 55.83 3ibr s PHE 95 Cb -0.12 -0.78 0.14 0.00 0.51 0.00 0.00 43.02 42.77 3ibr s PHE 95 CO 0.03 0.25 0.41 -0.51 0.70 0.00 0.00 175.22 176.10 3ibr s ASP 96 N -2.84 5.71 -0.60 1.36 1.01 0.10 -2.81 116.67 118.60 3ibr s ASP 96 Ca 0.15 -2.21 -0.26 0.00 0.71 0.00 0.00 52.55 50.94 3ibr s ASP 96 Cb -0.03 -1.99 0.04 0.00 1.01 0.00 0.00 42.92 41.95 3ibr s ASP 96 CO 0.05 -0.60 1.09 -0.69 0.21 0.00 0.00 175.17 175.22 3ibr s VAL 97 N 0.91 4.14 -0.21 -1.27 1.01 -0.81 -1.70 120.40 122.47 3ibr s VAL 97 Ca 0.10 0.45 -0.07 0.00 0.00 0.00 0.00 61.98 62.46 3ibr s VAL 97 Cb -0.23 -4.68 -0.03 0.00 0.00 0.00 0.00 36.38 31.44 3ibr s VAL 97 CO -0.03 -1.35 0.06 0.27 0.00 0.00 0.00 175.10 174.05 3ibr s ILE 98 N 4.60 4.51 0.20 2.22 -4.36 0.13 -2.45 121.20 126.06 3ibr s ILE 98 Ca 0.35 -0.12 0.09 0.00 -0.26 0.00 0.00 60.65 60.70 3ibr s ILE 98 Cb -0.10 -3.07 -0.05 0.00 1.25 0.00 0.00 42.46 40.49 3ibr s ILE 98 CO 0.20 0.40 -0.16 -0.83 0.24 0.00 0.00 174.94 174.79 3ibr s GLY 99 N 0.97 1.48 0.02 6.27 0.00 0.19 -0.08 107.32 116.17 3ibr s GLY 99 Ca 0.04 -1.64 -0.28 0.00 0.00 0.00 0.00 44.72 42.83 3ibr s GLY 99 CO 0.03 -1.73 0.91 -2.38 0.00 0.00 0.00 173.10 169.92 3ibr s HIS 100 N -2.65 -0.31 -0.08 1.90 -3.43 -0.85 -2.17 115.29 107.71 3ibr s HIS 100 Ca 0.22 0.14 0.03 0.00 -0.80 0.00 0.00 55.06 54.65 3ibr s HIS 100 Cb -0.03 0.56 -0.02 0.00 -1.43 0.00 0.00 32.58 31.66 3ibr s HIS 100 CO 0.08 -0.59 -0.16 -1.54 -2.00 0.00 0.00 174.74 170.53 3ibr s SER 101 N -2.56 3.81 0.01 7.38 1.04 -1.04 -0.28 113.70 122.06 3ibr s SER 101 Ca 0.06 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.19 3ibr s SER 101 Cb -0.01 -1.09 -0.01 0.00 0.10 0.00 0.00 66.02 65.01 3ibr s SER 101 CO -0.07 0.26 -0.03 -0.47 0.98 0.00 0.00 173.24 173.91 3ibr s TYR 102 N -0.25 0.29 0.00 5.02 5.04 -0.26 -4.52 117.35 122.67 3ibr s TYR 102 Ca 0.01 -0.30 0.00 0.00 -2.44 0.00 0.00 57.07 54.34 3ibr s TYR 102 Cb -0.13 -0.19 0.00 0.00 0.35 0.00 0.00 41.96 41.99 3ibr s TYR 102 CO 0.03 -0.09 0.00 1.63 -1.34 0.00 0.00 175.55 175.78 3ibr n LYS 103 N 2.21 0.00 -1.22 4.97 4.76 -1.26 -1.06 118.16 126.57 3ibr n LYS 103 Ca -0.19 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.14 3ibr n LYS 103 Cb 0.57 0.00 0.13 0.00 -1.84 0.00 0.00 35.03 33.89 3ibr n LYS 103 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3ibr n GLU 104 N 14.00 2.45 -4.73 1.97 1.02 -1.26 -5.01 120.64 129.09 3ibr n GLU 104 Ca 0.00 -3.56 -0.29 0.00 -0.02 0.00 0.00 57.16 53.30 3ibr n GLU 104 Cb 0.00 -1.97 -0.14 0.00 -0.02 0.00 0.00 31.44 29.31 3ibr n GLU 104 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ibr s VAL 105 N -3.85 2.03 -0.23 2.62 1.01 -0.22 -4.25 120.40 117.51 3ibr s VAL 105 Ca 0.47 -1.42 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 3ibr s VAL 105 Cb 0.41 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 3ibr s VAL 105 CO -0.01 0.26 -0.03 -0.36 0.00 0.00 0.00 175.10 174.97 3ibr s PHE 106 N -0.86 2.98 -0.11 5.22 0.40 0.52 -1.10 117.98 125.02 3ibr s PHE 106 Ca 0.11 -0.89 -0.06 0.00 -0.60 0.00 0.00 56.93 55.49 3ibr s PHE 106 Cb -0.10 -2.12 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 3ibr s PHE 106 CO 0.03 -0.53 0.12 0.71 0.70 0.00 0.00 175.22 176.25 3ibr s TYR 107 N 1.49 3.54 -0.39 0.36 2.02 0.62 0.32 117.35 125.30 3ibr s TYR 107 Ca 0.06 0.47 0.02 0.00 -0.37 0.00 0.00 57.07 57.25 3ibr s TYR 107 Cb -0.14 -1.91 0.11 0.00 -0.40 0.00 0.00 41.96 39.62 3ibr s TYR 107 CO -0.02 0.70 0.15 -0.51 -1.57 0.00 0.00 175.55 174.29 3ibr s LEU 108 N -1.08 3.63 -0.08 -1.29 1.43 0.96 -2.00 118.68 120.26 3ibr s LEU 108 Ca 0.16 -2.33 -0.19 0.00 -1.03 0.00 0.00 54.13 50.73 3ibr s LEU 108 Cb -0.12 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 3ibr s LEU 108 CO 0.05 -0.33 0.54 -1.61 0.23 0.00 0.00 176.35 175.23 3ibr s GLU 109 N 0.69 4.33 -0.75 1.70 2.02 0.88 -2.12 118.70 125.44 3ibr s GLU 109 Ca 0.13 0.58 -0.03 0.00 0.02 0.00 0.00 54.97 55.68 3ibr s GLU 109 Cb -0.21 -3.41 0.19 0.00 0.10 0.00 0.00 34.13 30.80 3ibr s GLU 109 CO -0.08 0.21 0.60 -0.06 0.02 0.00 0.00 175.26 175.95 3ibr s PHE 110 N 0.40 3.63 -0.02 1.61 0.40 -0.09 0.21 117.98 124.12 3ibr s PHE 110 Ca 0.29 -2.83 -0.17 0.00 -0.60 0.00 0.00 56.93 53.61 3ibr s PHE 110 Cb -0.16 -3.23 -0.05 0.00 0.51 0.00 0.00 43.02 40.08 3ibr s PHE 110 CO 0.13 -0.79 0.49 -2.00 0.70 0.00 0.00 175.22 173.74 3ibr s GLU 111 N -0.65 4.15 -0.34 0.44 2.12 -0.69 -2.74 118.70 121.00 3ibr s GLU 111 Ca 0.22 0.53 -0.29 0.00 0.36 0.00 0.00 54.97 55.79 3ibr s GLU 111 Cb -0.14 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 30.94 3ibr s GLU 111 CO -0.08 0.49 1.70 0.42 -0.54 0.00 0.00 175.26 177.25 3ibr s ILE 112 N -0.48 3.59 0.01 -3.70 -1.09 -1.18 0.01 121.20 118.35 3ibr s ILE 112 Ca 0.26 0.60 -0.30 0.00 -2.23 0.00 0.00 60.65 58.98 3ibr s ILE 112 Cb -0.17 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 3ibr s ILE 112 CO 0.14 -0.48 1.04 -0.60 -1.23 0.00 0.00 174.94 173.81 3ibr s ARG 113 N 5.41 4.52 -0.45 2.79 3.52 -0.33 -4.85 118.95 129.55 3ibr s ARG 113 Ca 0.75 1.51 0.06 0.00 -0.13 0.00 0.00 55.73 57.92 3ibr s ARG 113 Cb -0.21 -3.44 0.21 0.00 -1.56 0.00 0.00 34.95 29.95 3ibr s ARG 113 CO 0.33 -0.13 0.47 2.41 -0.81 0.00 0.00 175.30 177.58 3ibr n THR 114 N 3.97 -0.37 -3.85 4.11 -1.04 -1.26 -4.54 114.28 111.30 3ibr n THR 114 Ca 0.07 -3.99 0.00 0.00 -2.04 0.00 0.00 64.05 58.09 3ibr n THR 114 Cb 0.50 -1.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 3ibr n THR 114 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ibr n ALA 115 N 1.93 -0.61 -1.95 2.41 0.00 -1.26 -5.07 120.51 115.96 3ibr n ALA 115 Ca 0.25 -0.14 -0.23 0.00 0.00 0.00 0.00 53.44 53.32 3ibr n ALA 115 Cb 0.48 0.03 0.05 0.00 0.00 0.00 0.00 19.45 20.02 3ibr n ALA 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ibr s ASP 116 N -1.48 5.04 0.16 0.00 1.01 -1.26 -5.03 116.67 115.10 3ibr s ASP 116 Ca 0.05 0.18 -0.31 0.00 0.71 0.00 0.00 52.55 53.18 3ibr s ASP 116 Cb -0.00 -0.94 -0.09 0.00 1.01 0.00 0.00 42.92 42.90 3ibr s ASP 116 CO -0.00 -1.37 1.44 -0.89 0.21 0.00 0.00 175.17 174.56 3ibr s THR 117 N -2.99 3.00 -0.13 -1.27 2.01 -1.26 -4.97 115.64 110.04 3ibr s THR 117 Ca 0.59 0.74 -0.29 0.00 0.31 0.00 0.00 61.69 63.04 3ibr s THR 117 Cb -0.10 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 3ibr s THR 117 CO 0.41 0.07 1.14 -0.22 -0.69 0.00 0.00 174.62 175.33 3ibr s LEU 118 N 0.79 4.21 0.85 4.42 2.96 -1.26 -5.02 118.68 125.63 3ibr s LEU 118 Ca 0.65 1.63 -0.11 0.00 -0.22 0.00 0.00 54.13 56.08 3ibr s LEU 118 Cb -0.40 -3.55 0.10 0.00 0.50 0.00 0.00 46.19 42.85 3ibr s LEU 118 CO 0.33 -0.62 1.10 -0.44 -1.32 0.00 0.00 176.35 175.40 3ibr s SER 119 N 1.46 3.77 0.23 3.68 0.01 -1.26 -4.82 113.70 116.78 3ibr s SER 119 Ca 0.51 1.73 -0.03 0.00 1.31 0.00 0.00 55.95 59.47 3ibr s SER 119 Cb -0.20 -2.38 0.25 0.00 0.21 0.00 0.00 66.02 63.90 3ibr s SER 119 CO 0.16 -2.48 1.67 0.40 0.41 0.00 0.00 173.24 173.39 3ibr h ILE 120 N -1.44 1.26 0.11 1.44 1.08 -1.98 0.35 117.51 118.33 3ibr h ILE 120 Ca -0.46 -1.26 -0.01 0.00 -0.39 0.00 0.00 64.86 62.74 3ibr h ILE 120 Cb 1.26 1.17 0.00 0.00 -3.07 0.00 0.00 36.82 36.18 3ibr h ILE 120 CO 0.51 0.42 -0.05 0.74 -0.69 0.00 0.00 178.15 179.08 3ibr h THR 121 N 0.64 1.01 -0.54 -0.27 2.02 -1.99 0.10 112.91 113.89 3ibr h THR 121 Ca 0.10 -0.49 0.05 0.00 0.77 0.00 0.00 66.41 66.83 3ibr h THR 121 Cb 0.67 1.32 -0.05 0.00 -1.74 0.00 0.00 68.15 68.36 3ibr h THR 121 CO 0.05 0.12 0.28 0.28 0.37 0.00 0.00 175.52 176.62 3ibr h SER 122 N -0.38 0.41 -1.01 4.18 0.02 -1.87 0.34 113.55 115.24 3ibr h SER 122 Ca -0.02 0.03 0.15 0.00 -0.84 0.00 0.00 61.79 61.12 3ibr h SER 122 Cb 0.31 -0.05 -0.10 0.00 0.14 0.00 0.00 62.40 62.70 3ibr h SER 122 CO 0.03 0.28 0.62 0.15 -1.14 0.00 0.00 176.83 176.77 3ibr h PHE 123 N 0.54 1.11 -0.30 3.45 3.57 -0.72 -2.16 116.94 122.43 3ibr h PHE 123 Ca 0.24 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.65 3ibr h PHE 123 Cb 0.13 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 3ibr h PHE 123 CO -0.10 0.35 -0.32 1.15 -2.23 0.00 0.00 178.31 177.17 3ibr h THR 124 N 0.89 1.28 0.00 4.41 2.02 0.17 -2.79 112.91 118.89 3ibr h THR 124 Ca 0.54 -1.44 -0.11 0.00 0.77 0.00 0.00 66.41 66.17 3ibr h THR 124 Cb 0.69 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 3ibr h THR 124 CO -0.32 0.47 -0.87 0.25 0.37 0.00 0.00 175.52 175.42 3ibr h LEU 125 N 0.55 0.00 -0.21 2.58 6.46 -0.79 -0.57 115.31 123.32 3ibr h LEU 125 Ca 0.06 0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.88 3ibr h LEU 125 Cb 0.81 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.68 3ibr h LEU 125 CO 0.07 0.43 -0.24 0.78 -0.62 0.00 0.00 178.44 178.86 3ibr h ASN 126 N 0.00 -0.76 0.11 1.25 4.21 -1.43 0.90 115.58 119.86 3ibr h ASN 126 Ca -0.06 0.13 0.01 0.00 1.21 0.00 0.00 56.30 57.59 3ibr h ASN 126 Cb 1.38 0.35 -0.03 0.00 -1.12 0.00 0.00 38.32 38.90 3ibr h ASN 126 CO 0.04 -0.28 -0.40 0.00 -1.29 0.00 0.00 177.43 175.51 3ibr h ALA 127 N 0.76 -0.90 -0.14 -0.83 0.00 -1.40 -2.70 119.26 114.04 3ibr h ALA 127 Ca 0.13 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3ibr h ALA 127 Cb 0.45 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3ibr h ALA 127 CO -0.36 -1.00 -0.24 1.96 0.00 0.00 0.00 179.25 179.61 3ibr h GLN 128 N -0.59 0.25 -0.51 0.00 4.20 -0.81 -0.46 115.11 117.19 3ibr h GLN 128 Ca -0.01 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.65 3ibr h GLN 128 Cb 0.58 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 3ibr h GLN 128 CO -0.21 0.48 0.29 -0.09 -0.67 0.00 0.00 178.83 178.63 3ibr h ARG 129 N 0.23 0.55 0.21 1.46 2.43 0.92 0.52 114.38 120.70 3ibr h ARG 129 Ca 0.04 -0.03 -0.30 0.00 -0.81 0.00 0.00 59.98 58.88 3ibr h ARG 129 Cb 0.55 -0.12 0.03 0.00 -0.42 0.00 0.00 29.97 30.01 3ibr h ARG 129 CO 0.04 0.36 -1.35 0.97 -1.51 0.00 0.00 179.97 178.49 3ibr h ILE 130 N 0.57 1.27 -0.51 1.20 -0.00 -1.06 -3.10 117.51 115.89 3ibr h ILE 130 Ca 0.21 -2.61 0.08 0.00 -0.00 0.00 0.00 64.86 62.55 3ibr h ILE 130 Cb 0.06 3.02 -0.07 0.00 -0.00 0.00 0.00 36.82 39.84 3ibr h ILE 130 CO -0.11 0.78 0.12 0.40 -0.00 0.00 0.00 178.15 179.34 3ibr h ILE 131 N -0.03 0.73 -1.01 2.19 2.04 -1.10 -0.08 117.51 120.25 3ibr h ILE 131 Ca -0.25 -0.09 0.25 0.00 1.00 0.00 0.00 64.86 65.78 3ibr h ILE 131 Cb 2.00 0.45 -0.08 0.00 -0.74 0.00 0.00 36.82 38.44 3ibr h ILE 131 CO 0.22 0.05 0.66 0.00 0.00 0.00 0.00 178.15 179.07 3ibr h ALA 132 N 1.39 2.26 0.00 1.87 0.00 -0.82 1.02 119.26 124.98 3ibr h ALA 132 Ca 0.26 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 3ibr h ALA 132 Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3ibr h ALA 132 CO -0.32 -0.63 -0.17 1.96 0.00 0.00 0.00 179.25 180.09 3ibr h GLN 133 N 0.39 0.00 -0.00 0.00 1.08 -0.94 -2.95 115.11 112.68 3ibr h GLN 133 Ca 0.56 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.76 3ibr h GLN 133 Cb 1.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.87 3ibr h GLN 133 CO -0.25 0.17 -0.07 0.28 -0.95 0.00 0.00 178.83 178.01 3ibr n VAL 134 N -3.33 0.00 -1.81 -0.54 0.31 0.35 -4.05 118.33 109.26 3ibr n VAL 134 Ca 0.00 -0.01 0.06 0.00 -0.01 0.00 0.00 64.34 64.38 3ibr n VAL 134 Cb 0.40 -0.37 0.15 0.00 -0.91 0.00 0.00 33.84 33.12 3ibr n VAL 134 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ibr n GLN 135 N -1.35 1.11 -0.04 5.55 6.02 -1.11 -4.60 117.38 122.95 3ibr n GLN 135 Ca 0.10 -2.86 -0.05 0.00 -0.01 0.00 0.00 57.00 54.19 3ibr n GLN 135 Cb 0.30 -1.16 -0.14 0.00 1.02 0.00 0.00 30.24 30.26 3ibr n GLN 135 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3ibr n LEU 136 N -0.69 0.42 -4.52 1.08 4.77 -1.25 -5.03 117.00 111.78 3ibr n LEU 136 Ca 0.15 0.19 -0.24 0.00 -0.03 0.00 0.00 56.01 56.08 3ibr n LEU 136 Cb 0.81 0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 42.06 3ibr n LEU 136 CO -0.04 0.32 -0.44 -1.00 -1.33 0.00 0.00 177.39 174.91 3ibr s HIS 137 N -2.75 2.41 -0.24 -1.77 0.09 -1.26 -5.05 115.29 106.72 3ibr s HIS 137 Ca -0.07 -0.30 -0.01 0.00 -0.00 0.00 0.00 55.06 54.68 3ibr s HIS 137 Cb 0.08 -1.05 -0.14 0.00 -0.00 0.00 0.00 32.58 31.46 3ibr s HIS 137 CO 0.83 0.69 -0.23 0.09 -0.00 0.00 0.00 174.74 176.12 3ibr n ASN 138 N -0.68 2.10 -4.70 1.40 4.13 -1.26 -4.92 115.26 111.33 3ibr n ASN 138 Ca -0.06 -0.04 -0.43 0.00 1.68 0.00 0.00 54.58 55.74 3ibr n ASN 138 Cb 0.60 -0.44 -0.03 0.00 -1.54 0.00 0.00 39.78 38.36 3ibr n ASN 138 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3ibr n ASP 139 N -3.37 3.92 -0.30 6.41 2.03 -1.26 -4.85 116.55 119.14 3ibr n ASP 139 Ca -0.43 1.02 0.11 0.00 0.52 0.00 0.00 54.79 56.01 3ibr n ASP 139 Cb 0.92 -1.54 0.35 0.00 -0.72 0.00 0.00 41.12 40.13 3ibr n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ibr h THR 140 N 4.32 0.83 -0.24 5.18 1.03 -1.93 -2.62 112.91 119.48 3ibr h THR 140 Ca -0.45 -0.26 -0.11 0.00 -0.01 0.00 0.00 66.41 65.59 3ibr h THR 140 Cb 1.22 0.02 -0.00 0.00 -1.07 0.00 0.00 68.15 68.32 3ibr h THR 140 CO 0.95 0.14 -0.26 0.00 -0.01 0.00 0.00 175.52 176.33 3ibr h ALA 141 N 1.59 0.36 0.05 0.00 0.00 -1.99 -2.92 119.26 116.34 3ibr h ALA 141 Ca 0.47 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ibr h ALA 141 Cb 0.71 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ibr h ALA 141 CO -0.23 0.35 -0.02 0.77 0.00 0.00 0.00 179.25 180.11 3ibr h SER 142 N 0.31 -0.05 -0.22 0.00 0.02 -1.91 -1.60 113.55 110.10 3ibr h SER 142 Ca 0.04 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3ibr h SER 142 Cb 0.83 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 3ibr h SER 142 CO 0.06 0.14 -0.15 0.25 -1.14 0.00 0.00 176.83 176.00 3ibr h LEU 143 N -0.25 -0.55 -0.70 5.07 7.12 -1.52 -0.41 115.31 124.08 3ibr h LEU 143 Ca -0.01 0.08 0.15 0.00 0.13 0.00 0.00 57.88 58.24 3ibr h LEU 143 Cb 0.23 0.24 -0.12 0.00 -0.53 0.00 0.00 40.66 40.48 3ibr h LEU 143 CO 0.01 -0.07 0.02 -0.07 -0.13 0.00 0.00 178.44 178.20 3ibr h LEU 144 N -0.03 -0.28 -1.58 2.25 3.38 -1.51 -0.67 115.31 116.88 3ibr h LEU 144 Ca 0.04 0.17 0.15 0.00 0.09 0.00 0.00 57.88 58.33 3ibr h LEU 144 Cb 0.12 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3ibr h LEU 144 CO -0.22 -0.14 0.50 -1.28 0.09 0.00 0.00 178.44 177.39 3ibr h SER 145 N 0.13 0.39 0.00 -0.43 0.87 -0.09 -0.60 113.55 113.82 3ibr h SER 145 Ca 0.38 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.91 3ibr h SER 145 Cb 0.64 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 3ibr h SER 145 CO -0.59 0.20 -0.32 0.78 -0.53 0.00 0.00 176.83 176.37 3ibr h ASN 146 N 0.42 0.00 -0.92 6.23 -0.26 0.27 -3.13 115.58 118.19 3ibr h ASN 146 Ca 0.37 -0.47 0.08 0.00 -0.56 0.00 0.00 56.30 55.72 3ibr h ASN 146 Cb 0.84 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 38.03 3ibr h ASN 146 CO -0.12 0.92 0.60 1.62 -1.06 0.00 0.00 177.43 179.38 3ibr h VAL 147 N -1.00 1.01 -0.27 2.81 3.04 -1.29 0.15 116.25 120.69 3ibr h VAL 147 Ca -0.07 -0.34 0.06 0.00 -1.01 0.00 0.00 66.70 65.34 3ibr h VAL 147 Cb 0.70 -0.06 -0.08 0.00 -2.01 0.00 0.00 31.29 29.84 3ibr h VAL 147 CO -0.04 0.18 -0.40 0.74 -1.01 0.00 0.00 177.57 177.03 3ibr h THR 148 N 0.98 0.15 0.19 3.17 2.02 -1.23 0.33 112.91 118.52 3ibr h THR 148 Ca 0.42 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.61 3ibr h THR 148 Cb 0.32 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.84 3ibr h THR 148 CO -0.18 0.00 -0.43 0.44 0.37 0.00 0.00 175.52 175.72 3ibr h ASP 149 N -0.39 -1.25 -0.86 4.18 3.45 -0.87 -3.13 116.42 117.56 3ibr h ASP 149 Ca 0.11 0.13 0.07 0.00 0.43 0.00 0.00 57.03 57.78 3ibr h ASP 149 Cb 0.59 0.46 -0.06 0.00 -0.56 0.00 0.00 39.33 39.76 3ibr h ASP 149 CO -0.48 -0.52 0.56 -0.08 -1.57 0.00 0.00 179.24 177.15 3ibr h GLU 150 N -0.71 0.90 -0.51 3.56 4.57 -0.29 -1.26 114.58 120.84 3ibr h GLU 150 Ca 0.00 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3ibr h GLU 150 Cb 0.71 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 3ibr h GLU 150 CO -0.20 0.60 0.28 -0.07 -1.18 0.00 0.00 179.01 178.43 3ibr h LEU 151 N 0.93 0.62 -0.65 1.64 3.38 -0.89 -2.02 115.31 118.31 3ibr h LEU 151 Ca 0.38 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.21 3ibr h LEU 151 Cb 0.27 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3ibr h LEU 151 CO -0.14 0.51 -0.00 -0.09 0.09 0.00 0.00 178.44 178.80 3ibr h ARG 152 N 0.71 1.05 -0.62 1.13 2.43 -1.20 -0.11 114.38 117.78 3ibr h ARG 152 Ca 0.18 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3ibr h ARG 152 Cb 0.02 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3ibr h ARG 152 CO -0.03 1.02 0.00 0.54 -1.51 0.00 0.00 179.97 179.99 3ibr n ARG 153 N -4.18 0.31 0.00 0.20 1.74 -0.76 -1.26 116.66 112.71 3ibr n ARG 153 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3ibr n ARG 153 Cb 0.35 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 3ibr n ARG 153 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3ibr n THR 155 N 0.45 0.00 -0.20 0.55 -2.24 -0.05 -5.11 114.28 107.68 3ibr n THR 155 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3ibr n THR 155 Cb 0.10 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3ibr n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ibr n GLY 156 N -0.35 0.66 3.55 3.38 0.00 -0.39 -5.03 105.19 107.01 3ibr n GLY 156 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.45 3ibr n GLY 156 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ibr n TYR 157 N -2.00 1.06 0.23 1.61 4.02 -1.26 -4.76 117.16 116.06 3ibr n TYR 157 Ca 0.00 0.90 0.18 0.00 -0.01 0.00 0.00 57.90 58.97 3ibr n TYR 157 Cb 0.00 -2.19 0.85 0.00 -0.02 0.00 0.00 39.34 37.97 3ibr n TYR 157 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 3ibr h ASP 158 N 3.81 0.00 -3.96 7.72 3.32 -1.72 -3.40 116.42 122.19 3ibr h ASP 158 Ca -0.49 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.35 3ibr h ASP 158 Cb 1.39 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.68 3ibr h ASP 158 CO 0.73 0.00 -0.68 -0.60 -1.72 0.00 0.00 179.24 176.97 3ibr s ARG 159 N -4.43 0.09 0.05 3.56 3.52 0.14 -1.46 118.95 120.43 3ibr s ARG 159 Ca -0.04 -0.06 0.01 0.00 -0.13 0.00 0.00 55.73 55.50 3ibr s ARG 159 Cb 0.13 0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 33.53 3ibr s ARG 159 CO 0.46 -0.01 -0.05 0.54 -0.81 0.00 0.00 175.30 175.42 3ibr s VAL 160 N -0.24 0.36 -0.08 7.11 0.11 -0.25 -1.37 120.40 126.05 3ibr s VAL 160 Ca -0.03 -1.47 -0.05 0.00 -2.93 0.00 0.00 61.98 57.50 3ibr s VAL 160 Cb -0.02 -1.07 0.03 0.00 -1.53 0.00 0.00 36.38 33.79 3ibr s VAL 160 CO -0.00 -0.73 0.19 0.00 -3.33 0.00 0.00 175.10 171.23 3ibr s ALA 162 N -2.74 -0.43 -0.11 1.54 0.00 -0.69 -1.68 121.76 117.65 3ibr s ALA 162 Ca -0.01 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.64 3ibr s ALA 162 Cb -0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 3ibr s ALA 162 CO -0.05 -0.13 -0.20 -0.47 0.00 0.00 0.00 175.76 174.92 3ibr s TYR 163 N 0.62 2.66 -0.08 0.00 5.04 0.24 -1.53 117.35 124.31 3ibr s TYR 163 Ca -0.04 -0.91 -0.00 0.00 -2.44 0.00 0.00 57.07 53.67 3ibr s TYR 163 Cb -0.06 -1.77 -0.03 0.00 0.35 0.00 0.00 41.96 40.45 3ibr s TYR 163 CO -0.03 -0.35 -0.05 1.03 -1.34 0.00 0.00 175.55 174.81 3ibr s ARG 164 N 0.37 2.86 -0.13 4.97 0.52 0.27 -1.47 118.95 126.34 3ibr s ARG 164 Ca -0.15 -0.50 -0.02 0.00 -0.52 0.00 0.00 55.73 54.53 3ibr s ARG 164 Cb -0.17 -2.67 -0.02 0.00 0.52 0.00 0.00 34.95 32.61 3ibr s ARG 164 CO 0.07 0.66 -0.06 -0.06 0.02 0.00 0.00 175.30 175.93 3ibr s PHE 165 N -0.78 2.96 0.19 -0.53 0.40 -0.98 -1.05 117.98 118.19 3ibr s PHE 165 Ca 0.12 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.14 3ibr s PHE 165 Cb -0.11 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.49 3ibr s PHE 165 CO 0.02 -0.01 0.35 1.03 0.70 0.00 0.00 175.22 177.30 3ibr s ARG 166 N 0.16 3.47 0.52 0.44 0.52 0.02 -4.91 118.95 119.16 3ibr s ARG 166 Ca -0.03 -0.51 0.15 0.00 -0.52 0.00 0.00 55.73 54.82 3ibr s ARG 166 Cb -0.14 -2.89 0.82 0.00 0.52 0.00 0.00 34.95 33.26 3ibr s ARG 166 CO 0.03 0.44 1.40 1.25 0.02 0.00 0.00 175.30 178.45 3ibr h HIS 167 N 1.89 0.00 -0.54 -0.53 -0.00 -2.00 0.77 115.15 114.74 3ibr h HIS 167 Ca -0.49 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 59.63 3ibr h HIS 167 Cb 1.20 0.00 -0.15 0.00 -0.00 0.00 0.00 27.41 28.46 3ibr h HIS 167 CO 0.53 0.00 0.32 -0.40 -0.00 0.00 0.00 177.93 178.37 3ibr n ASP 168 N -2.41 3.49 -1.56 3.26 5.75 -1.26 -4.87 116.55 118.96 3ibr n ASP 168 Ca -0.01 -2.86 -0.12 0.00 -0.01 0.00 0.00 54.79 51.78 3ibr n ASP 168 Cb 0.53 -0.68 -0.04 0.00 -1.03 0.00 0.00 41.12 39.89 3ibr n ASP 168 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3ibr n ASP 169 N -0.31 -3.39 -4.97 -1.12 8.00 0.27 -4.63 116.55 110.39 3ibr n ASP 169 Ca 0.31 0.29 -0.18 0.00 0.71 0.00 0.00 54.79 55.92 3ibr n ASP 169 Cb 1.12 -3.13 -0.00 0.00 -0.02 0.00 0.00 41.12 39.08 3ibr n ASP 169 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3ibr s SER 170 N -2.05 5.59 -0.00 -2.24 1.04 -1.13 -3.40 113.70 111.51 3ibr s SER 170 Ca 0.00 -0.44 0.02 0.00 0.48 0.00 0.00 55.95 56.01 3ibr s SER 170 Cb 0.00 -0.76 -0.01 0.00 0.10 0.00 0.00 66.02 65.35 3ibr s SER 170 CO 0.00 -0.66 -0.06 -0.83 0.98 0.00 0.00 173.24 172.67 3ibr s GLY 171 N -4.26 0.31 0.01 7.32 0.00 -0.53 -0.80 107.32 109.37 3ibr s GLY 171 Ca 0.51 -0.28 0.04 0.00 0.00 0.00 0.00 44.72 44.99 3ibr s GLY 171 CO 0.31 -0.23 -0.13 1.85 0.00 0.00 0.00 173.10 174.90 3ibr s GLU 172 N -0.16 0.99 -0.42 2.90 2.12 -0.21 -1.44 118.70 122.48 3ibr s GLU 172 Ca 0.02 -0.58 -0.16 0.00 0.36 0.00 0.00 54.97 54.61 3ibr s GLU 172 Cb -0.03 -0.98 0.02 0.00 0.26 0.00 0.00 34.13 33.41 3ibr s GLU 172 CO -0.00 0.26 0.36 0.08 -0.54 0.00 0.00 175.26 175.41 3ibr s VAL 173 N -0.53 5.19 -0.15 3.70 1.01 -0.95 -0.57 120.40 128.10 3ibr s VAL 173 Ca 0.03 -0.54 0.18 0.00 0.00 0.00 0.00 61.98 61.65 3ibr s VAL 173 Cb -0.06 -3.98 0.37 0.00 0.00 0.00 0.00 36.38 32.71 3ibr s VAL 173 CO 0.00 -0.36 1.24 1.33 0.00 0.00 0.00 175.10 177.31 3ibr n VAL 174 N 5.27 2.03 -3.65 2.92 0.24 -0.58 -1.27 118.33 123.30 3ibr n VAL 174 Ca -0.10 -2.17 -0.03 0.00 -2.04 0.00 0.00 64.34 60.01 3ibr n VAL 174 Cb 0.47 -0.25 -0.07 0.00 -1.47 0.00 0.00 33.84 32.53 3ibr n VAL 174 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ibr s ALA 175 N -2.87 -2.26 -0.01 2.33 0.00 -1.25 -4.80 121.76 112.90 3ibr s ALA 175 Ca 0.35 1.88 -0.18 0.00 0.00 0.00 0.00 51.96 54.02 3ibr s ALA 175 Cb 0.30 -1.73 0.03 0.00 0.00 0.00 0.00 23.12 21.73 3ibr s ALA 175 CO 0.05 -0.22 0.38 -2.00 0.00 0.00 0.00 175.76 173.97 3ibr s GLU 176 N 0.50 0.76 -0.24 0.00 2.12 -1.26 -1.70 118.70 118.88 3ibr s GLU 176 Ca 0.00 -0.15 -0.05 0.00 0.36 0.00 0.00 54.97 55.14 3ibr s GLU 176 Cb -0.04 0.34 0.13 0.00 0.26 0.00 0.00 34.13 34.81 3ibr s GLU 176 CO -0.12 -0.22 0.46 0.45 -0.54 0.00 0.00 175.26 175.28 3ibr s SER 177 N -1.40 -0.34 0.14 -1.70 0.15 -0.68 -4.78 113.70 105.10 3ibr s SER 177 Ca -0.12 0.76 0.01 0.00 0.70 0.00 0.00 55.95 57.29 3ibr s SER 177 Cb -0.04 1.49 -0.04 0.00 -1.71 0.00 0.00 66.02 65.72 3ibr s SER 177 CO 0.04 -0.26 0.02 0.00 1.20 0.00 0.00 173.24 174.24 3ibr s ARG 178 N 2.66 0.99 -0.04 5.44 1.70 -1.26 -1.09 118.95 127.34 3ibr s ARG 178 Ca 0.07 -1.47 -0.30 0.00 -0.47 0.00 0.00 55.73 53.56 3ibr s ARG 178 Cb -0.14 -0.04 -0.04 0.00 -0.57 0.00 0.00 34.95 34.17 3ibr s ARG 178 CO -0.16 -0.17 1.21 0.50 -1.08 0.00 0.00 175.30 175.60 3ibr s ARG 179 N -3.96 4.36 0.53 3.89 3.52 -0.54 -4.93 118.95 121.83 3ibr s ARG 179 Ca 0.22 1.69 0.20 0.00 -0.13 0.00 0.00 55.73 57.71 3ibr s ARG 179 Cb 0.07 -3.54 1.40 0.00 -1.56 0.00 0.00 34.95 31.32 3ibr s ARG 179 CO 0.02 -0.43 2.16 0.93 -0.81 0.00 0.00 175.30 177.16 3ibr h GLU 180 N 7.40 0.00 0.00 5.12 5.08 -2.00 -2.15 114.58 128.04 3ibr h GLU 180 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3ibr h GLU 180 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3ibr h GLU 180 CO 0.87 0.03 0.24 -0.25 -1.00 0.00 0.00 179.01 178.90 3ibr n ASP 181 N -4.28 0.26 -4.78 1.42 8.00 -1.26 -4.56 116.55 111.35 3ibr n ASP 181 Ca -0.03 0.51 -0.34 0.00 0.71 0.00 0.00 54.79 55.63 3ibr n ASP 181 Cb 0.11 -0.48 -0.07 0.00 -0.02 0.00 0.00 41.12 40.66 3ibr n ASP 181 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ibr s LEU 182 N -3.72 3.92 0.50 0.64 1.43 -0.81 -5.08 118.68 115.57 3ibr s LEU 182 Ca -0.01 0.22 -0.22 0.00 -1.03 0.00 0.00 54.13 53.08 3ibr s LEU 182 Cb 0.03 -2.12 -0.07 0.00 0.03 0.00 0.00 46.19 44.06 3ibr s LEU 182 CO 0.09 0.33 1.17 -1.84 0.23 0.00 0.00 176.35 176.33 3ibr n GLU 183 N 1.59 1.50 -3.42 1.70 0.28 -1.26 -4.97 120.64 116.06 3ibr n GLU 183 Ca -0.16 0.55 -0.37 0.00 -0.16 0.00 0.00 57.16 57.02 3ibr n GLU 183 Cb 0.53 -2.32 -0.06 0.00 1.43 0.00 0.00 31.44 31.02 3ibr n GLU 183 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3ibr s SER 184 N -0.85 6.86 0.00 -1.84 0.15 -1.26 -5.00 113.70 111.75 3ibr s SER 184 Ca 0.68 1.05 0.13 0.00 0.70 0.00 0.00 55.95 58.51 3ibr s SER 184 Cb -0.47 -2.28 -0.13 0.00 -1.71 0.00 0.00 66.02 61.43 3ibr s SER 184 CO 0.53 0.25 0.56 -1.22 1.20 0.00 0.00 173.24 174.56 3ibr n TYR 185 N 1.49 0.00 -1.48 3.44 4.01 -1.26 -5.01 117.16 118.35 3ibr n TYR 185 Ca -0.11 0.00 -0.55 0.00 -0.16 0.00 0.00 57.90 57.08 3ibr n TYR 185 Cb 0.52 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.48 3ibr n TYR 185 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3ibr n LEU 186 N -1.24 -0.15 0.00 7.72 0.00 -1.26 -1.88 117.00 120.20 3ibr n LEU 186 Ca 0.03 1.15 0.00 0.00 0.00 0.00 0.00 56.01 57.19 3ibr n LEU 186 Cb 0.20 -0.96 0.00 0.00 0.00 0.00 0.00 43.42 42.67 3ibr n LEU 186 CO 0.26 -2.10 0.00 0.61 0.00 0.00 0.00 177.39 176.15 3ibr n GLY 187 N 1.70 0.49 3.91 -3.96 0.00 -0.39 -5.00 105.19 101.94 3ibr n GLY 187 Ca 0.19 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 3ibr n GLY 187 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ibr s LEU 188 N 0.00 3.53 -0.10 0.99 0.20 -0.78 -4.86 118.68 117.65 3ibr s LEU 188 Ca 0.00 0.82 -0.05 0.00 0.69 0.00 0.00 54.13 55.59 3ibr s LEU 188 Cb 0.00 -3.73 0.05 0.00 -0.43 0.00 0.00 46.19 42.08 3ibr s LEU 188 CO 0.00 -0.71 0.22 -0.13 -0.29 0.00 0.00 176.35 175.44 3ibr s ARG 189 N -4.79 0.15 0.08 1.98 0.52 -1.26 -2.24 118.95 113.40 3ibr s ARG 189 Ca 0.49 0.56 0.05 0.00 -0.52 0.00 0.00 55.73 56.31 3ibr s ARG 189 Cb -0.10 -0.13 -0.03 0.00 0.52 0.00 0.00 34.95 35.21 3ibr s ARG 189 CO 0.44 -0.21 -0.13 0.71 0.02 0.00 0.00 175.30 176.13 3ibr s TYR 190 N 1.65 1.19 1.20 -0.53 4.12 -0.52 -3.87 117.35 120.60 3ibr s TYR 190 Ca -0.05 -0.51 -0.17 0.00 0.02 0.00 0.00 57.07 56.35 3ibr s TYR 190 Cb -0.11 -0.66 0.28 0.00 -1.52 0.00 0.00 41.96 39.95 3ibr s TYR 190 CO -0.08 0.06 1.05 -2.14 0.02 0.00 0.00 175.55 174.46 3ibr s PRO 191 N -2.08 -1.22 0.45 -1.71 0.02 -1.26 -1.45 135.00 127.74 3ibr s PRO 191 Ca 0.01 0.26 0.21 0.00 0.02 0.00 0.00 61.00 61.50 3ibr s PRO 191 Cb -0.08 -1.57 1.07 0.00 0.02 0.00 0.00 34.50 33.95 3ibr s PRO 191 CO 0.02 -3.78 1.93 0.00 -0.33 0.00 0.00 177.00 174.84 3ibr h ALA 192 N -2.64 1.27 0.00 -1.55 0.00 -1.82 -3.02 119.26 111.50 3ibr h ALA 192 Ca -0.50 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3ibr h ALA 192 Cb 1.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3ibr h ALA 192 CO 0.41 0.29 0.00 -1.13 0.00 0.00 0.00 179.25 178.83 3ibr n SER 193 N -3.76 0.33 0.20 0.00 3.41 -1.26 -1.96 113.62 110.59 3ibr n SER 193 Ca -0.01 0.59 0.10 0.00 -0.26 0.00 0.00 58.87 59.28 3ibr n SER 193 Cb 0.34 -0.66 0.24 0.00 -0.26 0.00 0.00 64.21 63.87 3ibr n SER 193 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3ibr h ASP 194 N 0.00 0.00 -3.42 4.04 5.19 -1.88 -3.39 116.42 116.96 3ibr h ASP 194 Ca 0.00 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.79 3ibr h ASP 194 Cb 0.26 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.37 3ibr h ASP 194 CO 0.00 0.18 -0.74 -0.63 -3.12 0.00 0.00 179.24 174.93 3ibr s ILE 195 N -3.27 1.56 1.01 0.35 1.01 -0.83 -5.10 121.20 115.93 3ibr s ILE 195 Ca 0.04 -1.84 -0.12 0.00 0.00 0.00 0.00 60.65 58.73 3ibr s ILE 195 Cb 0.07 -2.15 0.17 0.00 0.01 0.00 0.00 42.46 40.56 3ibr s ILE 195 CO 0.67 -0.62 0.94 -2.65 0.00 0.00 0.00 174.94 173.27 3ibr n PRO 196 N 4.56 -1.07 -0.35 2.79 -0.02 -1.26 -4.60 135.00 135.05 3ibr n PRO 196 Ca 0.01 -0.26 0.10 0.00 -2.02 0.00 0.00 63.50 61.33 3ibr n PRO 196 Cb 0.42 -2.21 0.29 0.00 -0.02 0.00 0.00 33.50 31.98 3ibr n PRO 196 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ibr h ALA 197 N -2.09 1.61 -0.17 3.55 0.00 -1.90 -1.42 119.26 118.84 3ibr h ALA 197 Ca -0.49 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.28 3ibr h ALA 197 Cb 1.29 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.95 3ibr h ALA 197 CO 0.42 0.08 -0.62 1.96 0.00 0.00 0.00 179.25 181.09 3ibr h GLN 198 N 0.87 0.72 -0.01 0.00 4.20 -1.90 0.32 115.11 119.32 3ibr h GLN 198 Ca 0.54 -0.55 0.01 0.00 0.06 0.00 0.00 58.65 58.71 3ibr h GLN 198 Cb 0.70 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 3ibr h GLN 198 CO -0.32 1.17 -0.31 0.00 -0.67 0.00 0.00 178.83 178.70 3ibr h ALA 199 N 0.56 -0.75 -0.11 3.87 0.00 -1.74 0.41 119.26 121.49 3ibr h ALA 199 Ca -0.03 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ibr h ALA 199 Cb 1.25 0.77 -0.06 0.00 0.00 0.00 0.00 17.79 19.75 3ibr h ALA 199 CO 0.13 -0.85 -0.42 -0.09 0.00 0.00 0.00 179.25 178.02 3ibr h ARG 200 N -0.38 -0.48 -0.96 0.00 2.43 -1.25 0.66 114.38 114.40 3ibr h ARG 200 Ca 0.01 0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.35 3ibr h ARG 200 Cb 0.41 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 29.99 3ibr h ARG 200 CO -0.21 -0.32 0.61 0.00 -1.51 0.00 0.00 179.97 178.53 3ibr h ARG 201 N -0.50 0.81 -0.03 0.20 2.47 -0.20 -1.23 114.38 115.89 3ibr h ARG 201 Ca 0.07 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 3ibr h ARG 201 Cb 0.63 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.76 3ibr h ARG 201 CO -0.39 0.54 -0.03 -0.07 0.56 0.00 0.00 179.97 180.59 3ibr h LEU 202 N 0.84 0.08 -1.30 3.04 3.38 0.12 -2.62 115.31 118.84 3ibr h LEU 202 Ca 0.49 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ibr h LEU 202 Cb 0.64 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3ibr h LEU 202 CO -0.25 0.52 0.18 1.88 0.09 0.00 0.00 178.44 180.86 3ibr h TYR 203 N -0.37 0.00 0.06 1.13 0.05 0.14 0.46 116.97 118.45 3ibr h TYR 203 Ca 0.01 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.61 3ibr h TYR 203 Cb 0.50 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 3ibr h TYR 203 CO 0.08 0.00 -0.92 0.82 -1.05 0.00 0.00 178.16 177.09 3ibr h ILE 204 N 0.00 1.27 0.28 -2.88 2.04 -0.98 -3.40 117.51 113.84 3ibr h ILE 204 Ca 0.00 -2.36 -0.01 0.00 1.00 0.00 0.00 64.86 63.49 3ibr h ILE 204 Cb 0.36 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 3ibr h ILE 204 CO 0.00 0.59 -0.14 1.56 0.00 0.00 0.00 178.15 180.17 3ibr h GLN 205 N -0.65 -0.37 -6.27 2.37 4.20 0.16 -3.40 115.11 111.15 3ibr h GLN 205 Ca -0.21 0.02 -0.57 0.00 0.06 0.00 0.00 58.65 57.95 3ibr h GLN 205 Cb 1.44 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 29.25 3ibr h GLN 205 CO -0.01 -0.24 0.90 -0.80 -0.67 0.00 0.00 178.83 178.01 3ibr s ASN 206 N -2.97 6.86 0.39 1.46 0.01 0.11 -4.92 114.94 115.87 3ibr s ASN 206 Ca -0.06 1.26 0.09 0.00 -0.71 0.00 0.00 52.86 53.44 3ibr s ASN 206 Cb 0.01 -2.54 0.78 0.00 0.41 0.00 0.00 41.25 39.91 3ibr s ASN 206 CO 0.17 -0.91 1.93 -0.65 -1.51 0.00 0.00 177.10 176.13 3ibr h PRO 207 N 8.48 0.31 -5.93 -0.60 0.11 -1.79 -3.40 132.00 129.19 3ibr h PRO 207 Ca -0.23 -0.06 -0.57 0.00 0.11 0.00 0.00 66.00 65.24 3ibr h PRO 207 Cb 1.08 -0.05 -0.28 0.00 0.11 0.00 0.00 31.00 31.87 3ibr h PRO 207 CO 1.02 0.39 -0.84 0.42 -0.21 0.00 0.00 178.00 178.77 3ibr s ILE 208 N -4.87 1.56 0.04 4.15 1.01 -1.25 0.45 121.20 122.28 3ibr s ILE 208 Ca -0.06 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.64 3ibr s ILE 208 Cb 0.16 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 3ibr s ILE 208 CO 0.73 0.32 -0.09 0.00 0.00 0.00 0.00 174.94 175.90 3ibr s ARG 209 N -0.77 0.63 -0.05 2.79 3.03 -0.54 -4.96 118.95 119.08 3ibr s ARG 209 Ca 0.07 -0.67 0.02 0.00 2.03 0.00 0.00 55.73 57.19 3ibr s ARG 209 Cb -0.08 -0.52 0.01 0.00 -1.03 0.00 0.00 34.95 33.33 3ibr s ARG 209 CO 0.00 0.12 -0.12 -1.17 -1.13 0.00 0.00 175.30 173.01 3ibr s LEU 210 N -1.22 1.69 -0.10 -1.89 0.20 -1.26 -1.29 118.68 114.81 3ibr s LEU 210 Ca -0.04 -0.27 0.00 0.00 0.69 0.00 0.00 54.13 54.51 3ibr s LEU 210 Cb -0.08 -0.75 0.02 0.00 -0.43 0.00 0.00 46.19 44.95 3ibr s LEU 210 CO 0.01 0.05 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.40 3ibr s ILE 211 N 0.49 1.04 -0.23 6.68 1.01 0.62 -4.99 121.20 125.82 3ibr s ILE 211 Ca -0.10 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 3ibr s ILE 211 Cb -0.14 -1.03 -0.18 0.00 0.01 0.00 0.00 42.46 41.12 3ibr s ILE 211 CO 0.02 0.36 -0.09 0.00 0.00 0.00 0.00 174.94 175.24 3ibr n ALA 212 N 4.65 1.20 -3.82 9.38 0.00 -1.26 -0.11 120.51 130.54 3ibr n ALA 212 Ca -0.15 -0.93 -0.26 0.00 0.00 0.00 0.00 53.44 52.09 3ibr n ALA 212 Cb 0.50 -0.22 -0.17 0.00 0.00 0.00 0.00 19.45 19.57 3ibr n ALA 212 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ibr s ASP 213 N -6.90 2.36 0.21 0.00 -1.08 -1.21 -2.54 116.67 107.52 3ibr s ASP 213 Ca -0.33 -0.46 -0.02 0.00 -0.52 0.00 0.00 52.55 51.22 3ibr s ASP 213 Cb 0.10 -0.68 0.19 0.00 -1.46 0.00 0.00 42.92 41.07 3ibr s ASP 213 CO 0.61 -0.21 1.58 0.58 0.52 0.00 0.00 175.17 178.25 3ibr h VAL 214 N 6.36 1.30 -0.13 1.11 2.07 -0.67 -2.03 116.25 124.27 3ibr h VAL 214 Ca -0.22 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.71 3ibr h VAL 214 Cb 1.12 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3ibr h VAL 214 CO 0.34 0.50 0.00 0.00 0.02 0.00 0.00 177.57 178.43 3ibr n ALA 215 N -2.51 2.61 -1.65 1.67 0.00 -1.26 -4.88 120.51 114.49 3ibr n ALA 215 Ca -0.02 -0.30 -0.48 0.00 0.00 0.00 0.00 53.44 52.64 3ibr n ALA 215 Cb 0.53 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.92 3ibr n ALA 215 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3ibr n TYR 216 N 0.01 2.09 -3.04 0.00 4.11 -0.77 -4.92 117.16 114.65 3ibr n TYR 216 Ca 0.05 0.34 -0.42 0.00 -0.00 0.00 0.00 57.90 57.87 3ibr n TYR 216 Cb 0.26 -2.50 -0.06 0.00 -0.00 0.00 0.00 39.34 37.04 3ibr n TYR 216 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 3ibr s THR 217 N 1.16 4.81 0.00 -3.48 -1.32 -1.26 -5.09 115.64 110.47 3ibr s THR 217 Ca 0.82 0.70 0.00 0.00 -1.21 0.00 0.00 61.69 62.00 3ibr s THR 217 Cb -0.76 -4.14 0.00 0.00 -1.51 0.00 0.00 72.50 66.09 3ibr s THR 217 CO 0.42 -0.38 0.00 -2.65 -2.21 0.00 0.00 174.62 169.80 3ibr n PRO 218 N 6.23 2.84 -4.06 7.08 -0.02 -1.26 -4.83 135.00 140.98 3ibr n PRO 218 Ca 0.01 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 3ibr n PRO 218 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.86 3ibr n PRO 218 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ibr s ARG 220 N 0.00 0.58 -0.16 -0.52 0.52 -1.26 -4.96 118.95 113.15 3ibr s ARG 220 Ca 0.00 -1.12 0.02 0.00 -0.52 0.00 0.00 55.73 54.10 3ibr s ARG 220 Cb 0.00 0.20 0.02 0.00 0.52 0.00 0.00 34.95 35.69 3ibr s ARG 220 CO 0.00 -0.11 -0.21 0.14 0.02 0.00 0.00 175.30 175.15 3ibr s VAL 221 N -3.58 2.08 -0.07 3.52 -7.23 0.57 -1.13 120.40 114.55 3ibr s VAL 221 Ca 0.04 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.27 3ibr s VAL 221 Cb 0.05 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 3ibr s VAL 221 CO -0.09 0.54 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.80 3ibr s PHE 222 N 1.09 2.89 0.24 2.82 0.08 -1.15 -2.60 117.98 121.35 3ibr s PHE 222 Ca 0.00 -0.03 -0.30 0.00 0.12 0.00 0.00 56.93 56.72 3ibr s PHE 222 Cb -0.14 -1.70 -0.09 0.00 -0.57 0.00 0.00 43.02 40.52 3ibr s PHE 222 CO -0.08 0.28 1.18 -2.14 -0.10 0.00 0.00 175.22 174.36 3ibr s PRO 223 N -0.74 4.52 0.38 0.24 0.02 -1.26 -2.56 135.00 135.60 3ibr s PRO 223 Ca 0.11 1.91 0.18 0.00 0.02 0.00 0.00 61.00 63.22 3ibr s PRO 223 Cb -0.11 -3.20 0.98 0.00 0.02 0.00 0.00 34.50 32.20 3ibr s PRO 223 CO 0.01 -0.00 1.49 0.00 -0.33 0.00 0.00 177.00 178.17 3ibr h ALA 224 N 4.49 1.18 -3.74 -1.55 0.00 -1.85 -3.41 119.26 114.38 3ibr h ALA 224 Ca -0.46 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.08 3ibr h ALA 224 Cb 1.21 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.70 3ibr h ALA 224 CO 0.71 -0.18 -0.77 -1.17 0.00 0.00 0.00 179.25 177.85 3ibr s LEU 225 N -4.48 1.70 -0.40 0.00 0.20 -1.26 -4.33 118.68 110.10 3ibr s LEU 225 Ca -0.02 -0.12 -0.25 0.00 0.69 0.00 0.00 54.13 54.44 3ibr s LEU 225 Cb 0.05 -0.37 0.02 0.00 -0.43 0.00 0.00 46.19 45.46 3ibr s LEU 225 CO 0.16 0.02 0.86 0.21 -0.29 0.00 0.00 176.35 177.32 3ibr s ASN 226 N 0.32 6.57 0.30 3.68 2.47 -0.99 -4.93 114.94 122.36 3ibr s ASN 226 Ca -0.04 0.32 0.06 0.00 0.42 0.00 0.00 52.86 53.62 3ibr s ASN 226 Cb -0.08 -2.43 0.77 0.00 -1.45 0.00 0.00 41.25 38.06 3ibr s ASN 226 CO -0.00 -0.87 1.73 -0.65 -3.72 0.00 0.00 177.10 173.59 3ibr h PRO 227 N 8.68 0.55 0.00 0.43 0.11 -1.91 0.18 132.00 140.04 3ibr h PRO 227 Ca -0.24 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 3ibr h PRO 227 Cb 1.08 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 3ibr h PRO 227 CO 0.97 0.37 -0.07 0.93 -0.21 0.00 0.00 178.00 179.98 3ibr h GLU 228 N 0.57 0.00 0.00 1.05 4.39 -1.94 -3.27 114.58 115.38 3ibr h GLU 228 Ca 0.59 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.29 3ibr h GLU 228 Cb 1.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 3ibr h GLU 228 CO -0.46 0.07 0.00 -2.37 -1.16 0.00 0.00 179.01 175.09 3ibr n THR 229 N -3.98 0.03 -0.50 1.13 5.66 0.38 -4.99 114.28 112.00 3ibr n THR 229 Ca -0.03 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 3ibr n THR 229 Cb 0.16 1.61 0.00 0.00 -1.55 0.00 0.00 70.33 70.55 3ibr n THR 229 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3ibr n ASN 230 N -0.01 0.00 -4.53 1.09 5.15 0.24 -4.90 115.26 112.30 3ibr n ASN 230 Ca 0.00 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.71 3ibr n ASN 230 Cb 0.19 -2.26 -0.10 0.00 -0.53 0.00 0.00 39.78 37.09 3ibr n ASN 230 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3ibr s GLU 231 N -0.86 1.91 0.93 1.20 2.02 -1.26 -4.87 118.70 117.76 3ibr s GLU 231 Ca 0.00 -1.29 -0.11 0.00 0.02 0.00 0.00 54.97 53.59 3ibr s GLU 231 Cb 0.00 -2.10 0.15 0.00 0.10 0.00 0.00 34.13 32.29 3ibr s GLU 231 CO 0.00 0.44 1.12 0.45 0.02 0.00 0.00 175.26 177.28 3ibr s SER 232 N -2.65 2.89 0.20 -0.19 0.15 -1.26 -2.35 113.70 110.48 3ibr s SER 232 Ca 0.23 1.98 -0.30 0.00 0.70 0.00 0.00 55.95 58.56 3ibr s SER 232 Cb -0.09 -2.49 -0.08 0.00 -1.71 0.00 0.00 66.02 61.65 3ibr s SER 232 CO 0.13 -3.09 1.04 -0.36 1.20 0.00 0.00 173.24 172.16 3ibr s PHE 233 N -2.68 3.73 -0.68 3.44 0.08 -1.26 -4.79 117.98 115.82 3ibr s PHE 233 Ca 0.66 1.73 -0.20 0.00 0.12 0.00 0.00 56.93 59.24 3ibr s PHE 233 Cb -0.22 -3.16 0.10 0.00 -0.57 0.00 0.00 43.02 39.16 3ibr s PHE 233 CO 0.59 -0.19 0.89 0.34 -0.10 0.00 0.00 175.22 176.74 3ibr s ASP 234 N -0.47 6.26 -0.09 1.36 -1.08 -1.26 -4.53 116.67 116.85 3ibr s ASP 234 Ca 0.46 -1.35 0.02 0.00 -0.52 0.00 0.00 52.55 51.16 3ibr s ASP 234 Cb -0.28 -2.37 0.20 0.00 -1.46 0.00 0.00 42.92 39.02 3ibr s ASP 234 CO 0.34 -1.25 1.04 0.18 0.52 0.00 0.00 175.17 176.00 3ibr n LEU 235 N 6.94 3.12 -0.10 -1.34 4.77 -0.54 -4.53 117.00 125.32 3ibr n LEU 235 Ca -0.02 -1.60 -0.09 0.00 -0.03 0.00 0.00 56.01 54.27 3ibr n LEU 235 Cb 0.45 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 3ibr n LEU 235 CO 0.59 0.49 0.60 0.28 -1.33 0.00 0.00 177.39 178.03 3ibr h SER 236 N 0.69 -1.29 -0.06 -1.43 0.02 -1.91 -0.16 113.55 109.43 3ibr h SER 236 Ca 0.08 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3ibr h SER 236 Cb 1.19 0.57 0.00 0.00 0.14 0.00 0.00 62.40 64.30 3ibr h SER 236 CO 0.21 -0.36 0.00 -1.22 -1.14 0.00 0.00 176.83 174.32 3ibr n TYR 237 N -5.42 0.06 -2.19 3.45 4.01 -1.26 -4.88 117.16 110.92 3ibr n TYR 237 Ca -0.01 -0.03 -0.41 0.00 -0.16 0.00 0.00 57.90 57.29 3ibr n TYR 237 Cb 0.35 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 3ibr n TYR 237 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3ibr s SER 238 N -1.84 6.87 0.04 7.72 0.15 -0.07 -4.94 113.70 121.62 3ibr s SER 238 Ca 0.37 2.41 -0.22 0.00 0.70 0.00 0.00 55.95 59.21 3ibr s SER 238 Cb 0.20 -2.61 -0.14 0.00 -1.71 0.00 0.00 66.02 61.75 3ibr s SER 238 CO 0.31 -0.56 1.42 0.58 1.20 0.00 0.00 173.24 176.19 3ibr h VAL 239 N 3.82 1.29 -0.01 4.45 2.07 -1.90 -3.21 116.25 122.76 3ibr h VAL 239 Ca -0.44 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.11 3ibr h VAL 239 Cb 1.21 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 3ibr h VAL 239 CO 0.79 0.28 -0.03 0.18 0.02 0.00 0.00 177.57 178.81 3ibr n LEU 240 N -4.74 0.55 -3.87 2.57 4.77 -1.26 -4.72 117.00 110.29 3ibr n LEU 240 Ca -0.06 -0.14 -0.50 0.00 -0.03 0.00 0.00 56.01 55.28 3ibr n LEU 240 Cb 0.24 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 3ibr n LEU 240 CO 0.36 0.09 0.47 -1.14 -1.33 0.00 0.00 177.39 175.84 3ibr n ARG 241 N -0.66 0.00 -2.49 3.23 0.63 -1.22 -0.61 116.66 115.54 3ibr n ARG 241 Ca 0.20 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.79 3ibr n ARG 241 Cb 0.23 -1.27 -0.03 0.00 0.45 0.00 0.00 32.46 31.84 3ibr n ARG 241 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3ibr s SER 242 N -0.04 6.24 0.11 6.15 1.04 -0.80 -4.55 113.70 121.85 3ibr s SER 242 Ca 0.77 1.96 -0.07 0.00 0.48 0.00 0.00 55.95 59.10 3ibr s SER 242 Cb -1.08 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 62.42 3ibr s SER 242 CO 0.49 -0.85 0.39 -0.69 0.98 0.00 0.00 173.24 173.55 3ibr s VAL 243 N -1.96 5.14 0.33 5.02 1.01 -1.26 -4.93 120.40 123.75 3ibr s VAL 243 Ca 0.68 0.23 -0.27 0.00 0.00 0.00 0.00 61.98 62.62 3ibr s VAL 243 Cb -0.17 -3.63 -0.13 0.00 0.00 0.00 0.00 36.38 32.45 3ibr s VAL 243 CO 0.21 0.15 1.04 -0.24 0.00 0.00 0.00 175.10 176.27 3ibr n SER 244 N 0.47 1.46 -0.29 3.32 2.88 -1.26 -4.88 113.62 115.33 3ibr n SER 244 Ca -0.05 1.15 -0.02 0.00 -1.33 0.00 0.00 58.87 58.62 3ibr n SER 244 Cb 0.52 -1.33 0.10 0.00 -0.75 0.00 0.00 64.21 62.76 3ibr n SER 244 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3ibr h PRO 245 N 1.95 0.94 -0.81 -1.46 0.11 -1.99 -2.92 132.00 127.83 3ibr h PRO 245 Ca -0.42 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.67 3ibr h PRO 245 Cb 1.33 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 3ibr h PRO 245 CO 0.60 0.62 0.52 0.82 -0.21 0.00 0.00 178.00 180.35 3ibr h ILE 246 N 0.97 1.14 0.00 4.15 1.08 -1.92 0.71 117.51 123.64 3ibr h ILE 246 Ca 0.33 -0.35 -0.06 0.00 -0.39 0.00 0.00 64.86 64.39 3ibr h ILE 246 Cb 0.04 0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 33.81 3ibr h ILE 246 CO -0.12 0.19 -0.28 -0.74 -0.69 0.00 0.00 178.15 176.50 3ibr h HIS 247 N 1.02 0.00 0.20 1.37 2.76 -1.92 -2.06 115.15 116.53 3ibr h HIS 247 Ca 0.32 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.48 3ibr h HIS 247 Cb -0.02 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.95 3ibr h HIS 247 CO -0.03 0.28 -0.10 0.00 -1.30 0.00 0.00 177.93 176.79 3ibr h GLU 249 N -0.93 0.10 0.33 0.00 4.81 -0.96 -1.06 114.58 116.87 3ibr h GLU 249 Ca -0.03 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3ibr h GLU 249 Cb 0.48 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3ibr h GLU 249 CO 0.05 0.07 -0.16 -0.92 -0.73 0.00 0.00 179.01 177.31 3ibr h TYR 250 N 0.10 -0.42 -0.97 0.92 3.20 -1.31 -2.02 116.97 116.48 3ibr h TYR 250 Ca 0.78 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.86 3ibr h TYR 250 Cb 1.94 0.14 -0.12 0.00 1.54 0.00 0.00 36.73 40.23 3ibr h TYR 250 CO -0.06 -0.26 0.55 -0.07 -1.64 0.00 0.00 178.16 176.67 3ibr h LEU 251 N -0.48 0.63 -0.77 2.82 3.38 -0.65 0.23 115.31 120.47 3ibr h LEU 251 Ca -0.05 0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3ibr h LEU 251 Cb 0.34 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3ibr h LEU 251 CO 0.08 0.14 -0.16 0.71 0.09 0.00 0.00 178.44 179.30 3ibr h THR 252 N 0.60 1.26 0.00 0.22 1.35 -1.23 0.41 112.91 115.52 3ibr h THR 252 Ca 0.59 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3ibr h THR 252 Cb 1.04 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3ibr h THR 252 CO -0.45 0.42 0.00 0.59 -0.25 0.00 0.00 175.52 175.83 3ibr n ASN 253 N -4.14 0.00 -2.73 5.36 3.02 0.07 -4.34 115.26 112.50 3ibr n ASN 253 Ca 0.01 -0.31 -0.08 0.00 -0.03 0.00 0.00 54.58 54.16 3ibr n ASN 253 Cb 0.39 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.65 3ibr n ASN 253 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ibr n GLY 255 N 1.29 0.31 2.79 7.41 0.00 -0.03 -4.95 105.19 112.02 3ibr n GLY 255 Ca 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 3ibr n GLY 255 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ibr s VAL 256 N 0.33 0.07 -0.21 1.61 1.01 -0.25 -5.04 120.40 117.93 3ibr s VAL 256 Ca 0.24 0.15 0.15 0.00 0.00 0.00 0.00 61.98 62.52 3ibr s VAL 256 Cb 0.28 -0.19 -0.22 0.00 0.00 0.00 0.00 36.38 36.25 3ibr s VAL 256 CO -0.10 0.13 0.41 0.54 0.00 0.00 0.00 175.10 176.08 3ibr n ARG 257 N 4.22 0.92 -3.87 2.72 1.74 -1.20 -4.11 116.66 117.08 3ibr n ARG 257 Ca -0.26 -0.10 -0.11 0.00 -0.77 0.00 0.00 57.85 56.61 3ibr n ARG 257 Cb 0.50 -1.32 -0.11 0.00 -1.02 0.00 0.00 32.46 30.52 3ibr n ARG 257 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ibr s ALA 258 N -2.87 -0.29 0.33 7.54 0.00 -1.07 0.02 121.76 125.42 3ibr s ALA 258 Ca -0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.87 3ibr s ALA 258 Cb 0.10 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.26 3ibr s ALA 258 CO 0.63 -0.17 0.43 0.45 0.00 0.00 0.00 175.76 177.10 3ibr n SER 259 N 1.82 -1.20 -3.53 0.00 2.88 0.84 -2.26 113.62 112.17 3ibr n SER 259 Ca -0.21 -2.83 0.01 0.00 -1.33 0.00 0.00 58.87 54.51 3ibr n SER 259 Cb 0.56 2.28 -0.05 0.00 -0.75 0.00 0.00 64.21 66.25 3ibr n SER 259 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3ibr s SER 261 N -3.07 -0.34 -0.17 -3.46 0.01 -0.41 -0.27 113.70 105.99 3ibr s SER 261 Ca 0.29 0.51 -0.08 0.00 1.31 0.00 0.00 55.95 57.98 3ibr s SER 261 Cb -0.01 1.24 -0.04 0.00 0.21 0.00 0.00 66.02 67.42 3ibr s SER 261 CO 0.21 -0.08 0.10 -0.63 0.41 0.00 0.00 173.24 173.25 3ibr s ILE 262 N 1.61 5.11 0.24 1.44 -1.09 0.27 -1.47 121.20 127.30 3ibr s ILE 262 Ca -0.06 0.07 -0.18 0.00 -2.23 0.00 0.00 60.65 58.25 3ibr s ILE 262 Cb -0.03 -3.29 -0.08 0.00 -1.58 0.00 0.00 42.46 37.48 3ibr s ILE 262 CO -0.14 0.50 0.72 -0.44 -1.23 0.00 0.00 174.94 174.34 3ibr s SER 263 N 0.00 6.99 -0.18 3.58 0.01 0.17 -0.49 113.70 123.78 3ibr s SER 263 Ca 0.08 1.37 0.01 0.00 1.31 0.00 0.00 55.95 58.72 3ibr s SER 263 Cb -0.12 -2.40 0.03 0.00 0.21 0.00 0.00 66.02 63.74 3ibr s SER 263 CO 0.00 -0.01 -0.17 -0.63 0.41 0.00 0.00 173.24 172.84 3ibr s ILE 264 N -1.62 1.91 -0.11 1.44 1.01 0.60 -4.72 121.20 119.72 3ibr s ILE 264 Ca 0.45 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 60.19 3ibr s ILE 264 Cb -0.15 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.53 3ibr s ILE 264 CO 0.20 0.43 -0.20 -0.69 0.00 0.00 0.00 174.94 174.68 3ibr s VAL 265 N 1.33 1.83 0.11 2.92 1.01 -1.26 -1.04 120.40 125.30 3ibr s VAL 265 Ca 0.03 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.20 3ibr s VAL 265 Cb -0.14 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3ibr s VAL 265 CO -0.11 0.51 -0.15 0.68 0.00 0.00 0.00 175.10 176.03 3ibr s VAL 266 N 0.61 1.31 0.00 2.92 -7.23 0.87 -4.68 120.40 114.20 3ibr s VAL 266 Ca -0.13 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 3ibr s VAL 266 Cb -0.17 -1.41 0.00 0.00 0.56 0.00 0.00 36.38 35.36 3ibr s VAL 266 CO 0.04 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 3ibr n GLY 267 N 0.79 0.98 1.34 2.32 0.00 -1.26 0.73 105.19 110.09 3ibr n GLY 267 Ca -0.17 -0.65 -0.05 0.00 0.00 0.00 0.00 46.02 45.15 3ibr n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibr n GLY 268 N 0.00 2.67 3.23 -0.02 0.00 -1.26 -4.94 105.19 104.87 3ibr n GLY 268 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 3ibr n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ibr s LYS 269 N -1.55 2.33 -0.51 1.61 1.02 0.23 -5.04 119.74 117.82 3ibr s LYS 269 Ca 0.24 -0.83 -0.27 0.00 0.02 0.00 0.00 55.97 55.13 3ibr s LYS 269 Cb 0.19 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.48 3ibr s LYS 269 CO 0.06 0.35 1.95 -1.17 -0.92 0.00 0.00 175.35 175.62 3ibr s LEU 270 N -0.13 3.37 0.10 3.17 2.96 -1.26 -0.09 118.68 126.80 3ibr s LEU 270 Ca -0.03 0.73 0.12 0.00 -0.22 0.00 0.00 54.13 54.73 3ibr s LEU 270 Cb -0.13 -2.78 -0.14 0.00 0.50 0.00 0.00 46.19 43.63 3ibr s LEU 270 CO 0.03 -2.30 1.07 -0.25 -1.32 0.00 0.00 176.35 173.58 3ibr h TRP 271 N 15.27 0.00 0.00 5.38 7.01 -1.37 -3.45 115.95 138.79 3ibr h TRP 271 Ca -0.28 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.72 3ibr h TRP 271 Cb 1.18 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.24 3ibr h TRP 271 CO 1.01 0.81 0.00 0.41 -2.79 0.00 0.00 178.44 177.88 3ibr n GLY 272 N 1.38 0.09 3.41 2.65 0.00 -0.87 -2.31 105.19 109.54 3ibr n GLY 272 Ca -0.06 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 3ibr n GLY 272 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3ibr s LEU 273 N 0.00 -0.02 -0.26 0.99 0.05 -0.54 -0.29 118.68 118.60 3ibr s LEU 273 Ca 0.00 -0.25 -0.10 0.00 0.05 0.00 0.00 54.13 53.83 3ibr s LEU 273 Cb 0.00 2.19 -0.05 0.00 -2.05 0.00 0.00 46.19 46.28 3ibr s LEU 273 CO 0.00 -0.95 0.16 -0.36 -0.55 0.00 0.00 176.35 174.65 3ibr s PHE 274 N -3.80 3.22 -0.20 3.48 0.40 0.36 -0.59 117.98 120.85 3ibr s PHE 274 Ca 0.04 0.05 -0.04 0.00 -0.60 0.00 0.00 56.93 56.37 3ibr s PHE 274 Cb 0.00 -2.32 -0.02 0.00 0.51 0.00 0.00 43.02 41.19 3ibr s PHE 274 CO -0.10 -0.13 -0.02 0.45 0.70 0.00 0.00 175.22 176.12 3ibr s SER 275 N 1.53 4.66 -0.17 1.36 0.15 -1.26 -0.57 113.70 119.41 3ibr s SER 275 Ca 0.07 -0.24 -0.03 0.00 0.70 0.00 0.00 55.95 56.44 3ibr s SER 275 Cb -0.15 -1.79 -0.02 0.00 -1.71 0.00 0.00 66.02 62.35 3ibr s SER 275 CO 0.08 0.06 -0.04 0.00 1.20 0.00 0.00 173.24 174.54 3ibr s HIS 277 N 0.58 2.32 0.00 0.00 3.76 -0.47 -4.19 115.29 117.29 3ibr s HIS 277 Ca -0.03 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 3ibr s HIS 277 Cb -0.14 -1.35 0.00 0.00 1.11 0.00 0.00 32.58 32.19 3ibr s HIS 277 CO 0.03 0.19 0.00 1.58 -0.85 0.00 0.00 174.74 175.68 3ibr n HIS 278 N 1.52 0.00 0.00 1.40 -0.00 -0.96 0.28 115.22 117.46 3ibr n HIS 278 Ca -0.17 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.01 3ibr n HIS 278 Cb 0.52 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 3ibr n HIS 278 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 3ibr n SER 280 N 0.00 0.00 -4.54 0.26 3.41 -1.26 -2.61 113.62 108.88 3ibr n SER 280 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 3ibr n SER 280 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 3ibr n SER 280 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3ibr n PRO 281 N 0.00 0.58 -3.64 4.33 -0.02 -1.26 -4.25 135.00 130.74 3ibr n PRO 281 Ca 0.00 0.24 -0.06 0.00 -2.02 0.00 0.00 63.50 61.66 3ibr n PRO 281 Cb 0.00 -1.96 -0.07 0.00 -0.02 0.00 0.00 33.50 31.45 3ibr n PRO 281 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3ibr s LYS 282 N -2.65 0.66 -0.09 -0.52 2.20 -1.05 -4.98 119.74 113.30 3ibr s LYS 282 Ca 0.71 1.14 0.01 0.00 -0.36 0.00 0.00 55.97 57.47 3ibr s LYS 282 Cb -0.40 0.13 0.02 0.00 -1.51 0.00 0.00 37.83 36.07 3ibr s LYS 282 CO 0.52 -0.14 -0.11 -1.17 -0.36 0.00 0.00 175.35 174.08 3ibr s LEU 283 N 1.60 1.51 -0.24 5.43 0.20 -1.26 -4.32 118.68 121.61 3ibr s LEU 283 Ca -0.10 -0.34 -0.08 0.00 0.69 0.00 0.00 54.13 54.31 3ibr s LEU 283 Cb -0.05 -0.90 -0.03 0.00 -0.43 0.00 0.00 46.19 44.78 3ibr s LEU 283 CO -0.19 -0.03 0.08 -0.63 -0.29 0.00 0.00 176.35 175.29 3ibr s ILE 284 N 1.12 4.48 0.40 6.68 1.09 -1.26 -5.06 121.20 128.64 3ibr s ILE 284 Ca -0.05 -0.12 -0.25 0.00 -1.10 0.00 0.00 60.65 59.12 3ibr s ILE 284 Cb -0.14 -3.08 -0.11 0.00 -1.06 0.00 0.00 42.46 38.07 3ibr s ILE 284 CO -0.02 0.36 1.00 -2.65 -0.10 0.00 0.00 174.94 173.53 3ibr n PRO 285 N 4.62 1.35 -0.31 2.79 -0.02 -1.26 -4.52 135.00 137.64 3ibr n PRO 285 Ca -0.16 0.48 0.07 0.00 -2.02 0.00 0.00 63.50 61.87 3ibr n PRO 285 Cb 0.52 -2.00 0.17 0.00 -0.02 0.00 0.00 33.50 32.16 3ibr n PRO 285 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3ibr h TYR 286 N 1.62 -0.28 -0.62 6.00 3.20 -1.97 0.15 116.97 125.07 3ibr h TYR 286 Ca -0.44 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.51 3ibr h TYR 286 Cb 1.34 0.26 -0.03 0.00 1.54 0.00 0.00 36.73 39.84 3ibr h TYR 286 CO 0.44 -0.36 0.39 -1.35 -1.64 0.00 0.00 178.16 175.64 3ibr h PRO 287 N 0.03 0.84 -0.26 1.82 0.11 -2.01 -2.23 132.00 130.29 3ibr h PRO 287 Ca 0.46 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.48 3ibr h PRO 287 Cb 0.80 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 3ibr h PRO 287 CO -0.86 0.59 0.06 0.28 -0.21 0.00 0.00 178.00 177.85 3ibr h VAL 288 N 0.84 1.22 0.00 3.15 2.07 -1.53 -2.55 116.25 119.46 3ibr h VAL 288 Ca 0.22 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3ibr h VAL 288 Cb -0.05 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3ibr h VAL 288 CO -0.04 0.23 0.00 0.54 0.02 0.00 0.00 177.57 178.32 3ibr n ARG 289 N -4.70 0.00 0.00 1.57 1.74 0.38 -2.39 116.66 113.26 3ibr n ARG 289 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3ibr n ARG 289 Cb 0.19 -0.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.96 3ibr n ARG 289 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3ibr n SER 291 N 0.39 0.00 0.20 0.55 3.41 -0.96 -0.50 113.62 116.70 3ibr n SER 291 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 3ibr n SER 291 Cb 0.00 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.36 3ibr n SER 291 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3ibr h PHE 292 N 0.00 0.00 -0.31 7.33 0.04 -1.79 -0.62 116.94 121.59 3ibr h PHE 292 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3ibr h PHE 292 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3ibr h PHE 292 CO 0.00 0.32 0.21 0.37 -0.60 0.00 0.00 178.31 178.60 3ibr h GLN 293 N 0.00 0.41 0.00 1.51 4.15 -1.06 0.17 115.11 120.29 3ibr h GLN 293 Ca -0.00 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.33 3ibr h GLN 293 Cb 0.57 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 3ibr h GLN 293 CO 0.04 0.27 -0.31 -0.84 -1.93 0.00 0.00 178.83 176.07 3ibr h ILE 294 N 0.42 0.58 -0.61 2.39 3.07 -1.78 -2.60 117.51 118.98 3ibr h ILE 294 Ca 0.12 -1.61 -0.03 0.00 1.55 0.00 0.00 64.86 64.88 3ibr h ILE 294 Cb -0.05 2.13 -0.03 0.00 -0.27 0.00 0.00 36.82 38.60 3ibr h ILE 294 CO -0.03 0.30 0.27 0.15 -1.05 0.00 0.00 178.15 177.80 3ibr h PHE 295 N 0.00 0.91 -0.94 0.16 3.57 -0.60 -2.21 116.94 117.83 3ibr h PHE 295 Ca -0.00 -0.06 0.22 0.00 3.53 0.00 0.00 57.97 61.66 3ibr h PHE 295 Cb 1.10 -0.28 -0.07 0.00 2.79 0.00 0.00 35.95 39.50 3ibr h PHE 295 CO 0.00 0.71 0.62 1.03 -2.23 0.00 0.00 178.31 178.43 3ibr h SER 296 N 0.84 0.41 0.00 0.41 0.87 -0.29 0.26 113.55 116.06 3ibr h SER 296 Ca 0.21 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 3ibr h SER 296 Cb 0.16 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3ibr h SER 296 CO -0.02 0.15 -0.00 -0.61 -0.53 0.00 0.00 176.83 175.82 3ibr h GLN 297 N 0.40 -0.00 0.63 2.24 4.15 -1.27 -2.41 115.11 118.85 3ibr h GLN 297 Ca 0.50 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.89 3ibr h GLN 297 Cb 1.25 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.95 3ibr h GLN 297 CO -0.20 0.41 -0.30 0.28 -1.93 0.00 0.00 178.83 177.09 3ibr h VAL 298 N -0.41 0.26 -0.77 2.39 2.07 -0.55 -2.27 116.25 116.96 3ibr h VAL 298 Ca -0.00 -0.28 0.17 0.00 0.82 0.00 0.00 66.70 67.41 3ibr h VAL 298 Cb 0.41 0.33 -0.11 0.00 -1.52 0.00 0.00 31.29 30.40 3ibr h VAL 298 CO 0.00 0.03 0.24 0.00 0.02 0.00 0.00 177.57 177.86 3ibr h SER 300 N 0.33 0.50 0.11 0.00 0.02 -1.24 -1.55 113.55 111.73 3ibr h SER 300 Ca 0.44 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.42 3ibr h SER 300 Cb 0.75 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3ibr h SER 300 CO -0.49 0.32 -0.05 0.00 -1.14 0.00 0.00 176.83 175.47 3ibr h ALA 301 N 1.34 -0.15 -0.46 3.77 0.00 -0.77 -2.43 119.26 120.55 3ibr h ALA 301 Ca 0.29 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3ibr h ALA 301 Cb 0.19 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 3ibr h ALA 301 CO -0.19 -0.40 -0.46 0.82 0.00 0.00 0.00 179.25 179.02 3ibr h ILE 302 N -0.53 0.00 -0.24 0.00 5.03 -1.06 0.20 117.51 120.92 3ibr h ILE 302 Ca -0.02 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.79 3ibr h ILE 302 Cb 0.43 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.21 3ibr h ILE 302 CO 0.03 0.00 0.18 0.58 -0.68 0.00 0.00 178.15 178.25 3ibr h VAL 303 N -0.24 0.84 -0.53 1.67 2.07 -1.34 -0.98 116.25 117.75 3ibr h VAL 303 Ca 0.08 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.51 3ibr h VAL 303 Cb 0.45 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3ibr h VAL 303 CO -0.56 0.00 -0.00 -0.08 0.02 0.00 0.00 177.57 176.94 3ibr h GLU 304 N 0.00 0.94 0.05 1.57 4.81 -0.45 0.93 114.58 122.42 3ibr h GLU 304 Ca 0.11 -0.30 -0.15 0.00 -0.13 0.00 0.00 59.36 58.90 3ibr h GLU 304 Cb 0.46 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.78 3ibr h GLU 304 CO -0.00 0.96 -0.60 0.00 -0.73 0.00 0.00 179.01 178.64 3ibr h ARG 305 N 0.82 0.32 -0.65 1.92 3.08 -0.75 -2.04 114.38 117.06 3ibr h ARG 305 Ca 0.15 -0.41 0.13 0.00 0.07 0.00 0.00 59.98 59.92 3ibr h ARG 305 Cb 0.54 0.13 -0.09 0.00 0.08 0.00 0.00 29.97 30.63 3ibr h ARG 305 CO 0.03 1.12 0.16 1.25 -1.07 0.00 0.00 179.97 181.46 3ibr h LEU 306 N -0.29 0.05 -0.36 3.04 5.85 -1.19 -0.67 115.31 121.74 3ibr h LEU 306 Ca -0.09 0.12 -0.19 0.00 0.84 0.00 0.00 57.88 58.56 3ibr h LEU 306 Cb 1.37 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 3ibr h LEU 306 CO 0.12 0.02 -0.82 -0.33 -0.34 0.00 0.00 178.44 177.08 3ibr h GLU 307 N 0.29 0.23 0.00 1.25 4.39 -0.86 -2.88 114.58 117.01 3ibr h GLU 307 Ca 0.35 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 3ibr h GLU 307 Cb 0.54 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 3ibr h GLU 307 CO -0.43 0.93 -0.13 -0.56 -1.16 0.00 0.00 179.01 177.66 3ibr h GLN 308 N 0.14 0.00 -0.02 2.33 3.07 -0.50 -1.63 115.11 118.50 3ibr h GLN 308 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.66 3ibr h GLN 308 Cb 1.42 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.98 3ibr h GLN 308 CO 0.13 0.13 -0.14 0.78 0.09 0.00 0.00 178.83 179.82 3ibr h GLY 309 N 2.72 0.14 -0.22 0.06 0.00 -1.16 -2.35 103.07 102.27 3ibr h GLY 309 Ca -0.00 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.15 3ibr h GLY 309 CO 0.02 0.18 -0.24 -0.09 0.00 0.00 0.00 176.54 176.41 3ibr h ARG 310 N -0.51 -0.13 -0.81 4.80 2.43 -1.27 -0.49 114.38 118.40 3ibr h ARG 310 Ca -0.01 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3ibr h ARG 310 Cb 0.83 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.37 3ibr h ARG 310 CO 0.03 -0.09 0.43 -0.84 -1.51 0.00 0.00 179.97 177.99 3ibr h ILE 311 N -0.14 1.24 -0.76 1.20 -2.65 -1.43 -1.44 117.51 113.54 3ibr h ILE 311 Ca 0.04 -0.61 0.08 0.00 1.03 0.00 0.00 64.86 65.40 3ibr h ILE 311 Cb 0.24 0.16 -0.05 0.00 -2.05 0.00 0.00 36.82 35.12 3ibr h ILE 311 CO -0.28 0.27 0.50 0.00 0.03 0.00 0.00 178.15 178.67 3ibr h ALA 312 N 1.34 1.73 0.41 0.16 0.00 -0.95 0.27 119.26 122.23 3ibr h ALA 312 Ca 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3ibr h ALA 312 Cb 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ibr h ALA 312 CO -0.04 0.13 -0.20 1.49 0.00 0.00 0.00 179.25 180.62 3ibr h GLU 313 N 0.74 -0.54 -0.88 0.00 4.57 -0.02 -0.64 114.58 117.81 3ibr h GLU 313 Ca 0.34 0.04 0.22 0.00 -1.18 0.00 0.00 59.36 58.78 3ibr h GLU 313 Cb 0.35 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 29.01 3ibr h GLU 313 CO -0.12 -0.36 0.60 -0.07 -1.18 0.00 0.00 179.01 177.88 3ibr h LEU 314 N -0.87 0.25 -1.23 1.64 3.38 -1.27 1.94 115.31 119.15 3ibr h LEU 314 Ca -0.06 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3ibr h LEU 314 Cb 0.43 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3ibr h LEU 314 CO 0.09 0.09 -0.22 0.25 0.09 0.00 0.00 178.44 178.75 3ibr h LEU 315 N 0.24 0.00 0.03 1.67 5.85 -0.34 -1.39 115.31 121.38 3ibr h LEU 315 Ca 0.45 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.95 3ibr h LEU 315 Cb 1.36 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 3ibr h LEU 315 CO -0.11 0.22 -1.17 -0.09 -0.34 0.00 0.00 178.44 176.94 3ibr h ARG 316 N 0.00 0.07 -0.72 1.25 2.43 0.45 -3.09 114.38 114.78 3ibr h ARG 316 Ca -0.00 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.08 3ibr h ARG 316 Cb 0.69 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.25 3ibr h ARG 316 CO 0.03 1.06 0.47 -0.39 -1.51 0.00 0.00 179.97 179.63 3ibr h VAL 317 N -0.77 1.10 0.71 0.20 -1.51 -0.64 0.21 116.25 115.55 3ibr h VAL 317 Ca -0.30 -0.30 -0.03 0.00 -1.23 0.00 0.00 66.70 64.84 3ibr h VAL 317 Cb 1.42 0.16 0.01 0.00 -2.13 0.00 0.00 31.29 30.75 3ibr h VAL 317 CO -0.10 0.16 -0.34 -1.28 -1.23 0.00 0.00 177.57 174.78 3ibr h SER 318 N 0.86 -0.81 -0.14 4.19 0.87 -1.38 -0.78 113.55 116.36 3ibr h SER 318 Ca 0.29 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.80 3ibr h SER 318 Cb 0.08 0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 3ibr h SER 318 CO -0.08 -0.52 -0.06 0.71 -0.53 0.00 0.00 176.83 176.34 3ibr h THR 319 N -1.04 1.20 -0.23 2.23 1.35 -1.42 -2.70 112.91 112.30 3ibr h THR 319 Ca -0.10 -0.83 0.02 0.00 -0.55 0.00 0.00 66.41 64.95 3ibr h THR 319 Cb 0.75 1.06 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 3ibr h THR 319 CO 0.16 0.27 0.09 -0.33 -0.25 0.00 0.00 175.52 175.46 3ibr h GLU 320 N 0.42 0.20 0.12 4.72 4.39 -0.42 -1.79 114.58 122.21 3ibr h GLU 320 Ca 0.09 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.78 3ibr h GLU 320 Cb 0.37 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 3ibr h GLU 320 CO 0.02 0.13 -0.40 0.00 -1.16 0.00 0.00 179.01 177.60 3ibr h ARG 321 N 0.20 -0.57 -0.98 2.33 3.08 -0.85 0.09 114.38 117.69 3ibr h ARG 321 Ca 0.10 0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.27 3ibr h ARG 321 Cb 0.05 0.13 -0.12 0.00 0.08 0.00 0.00 29.97 30.11 3ibr h ARG 321 CO -0.09 -0.38 -0.58 0.00 -1.07 0.00 0.00 179.97 177.85 3ibr h ARG 322 N -0.59 -0.00 0.00 0.04 3.08 -1.27 0.24 114.38 115.88 3ibr h ARG 322 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3ibr h ARG 322 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 3ibr h ARG 322 CO -0.20 -0.00 -0.04 -0.07 -1.07 0.00 0.00 179.97 178.59 3ibr h LEU 323 N -0.00 0.00 0.77 3.04 3.38 -1.08 0.98 115.31 122.39 3ibr h LEU 323 Ca 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3ibr h LEU 323 Cb 0.41 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 3ibr h LEU 323 CO -0.92 0.04 -0.37 0.00 0.09 0.00 0.00 178.44 177.28 3ibr h ALA 324 N 1.96 -1.03 -0.79 1.53 0.00 0.14 -2.46 119.26 118.62 3ibr h ALA 324 Ca -0.00 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.83 3ibr h ALA 324 Cb 0.07 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3ibr h ALA 324 CO 0.00 -1.03 0.53 1.25 0.00 0.00 0.00 179.25 180.00 3ibr h LEU 325 N -1.13 0.44 -0.21 0.00 7.12 0.66 -1.90 115.31 120.29 3ibr h LEU 325 Ca -0.11 0.03 -0.11 0.00 0.13 0.00 0.00 57.88 57.82 3ibr h LEU 325 Cb 0.81 -0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 40.87 3ibr h LEU 325 CO 0.17 0.22 -0.31 0.00 -0.13 0.00 0.00 178.44 178.39 3ibr h ALA 326 N 1.63 0.33 0.00 1.25 0.00 -0.76 -2.05 119.26 119.67 3ibr h ALA 326 Ca 0.39 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3ibr h ALA 326 Cb 0.85 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3ibr h ALA 326 CO -0.14 0.36 -0.40 0.00 0.00 0.00 0.00 179.25 179.07 3ibr h ARG 327 N 0.28 0.00 0.00 0.00 3.08 -1.09 0.38 114.38 117.03 3ibr h ARG 327 Ca 0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3ibr h ARG 327 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 3ibr h ARG 327 CO 0.07 0.40 -0.25 0.00 -1.07 0.00 0.00 179.97 179.12 3ibr h ARG 328 N 0.00 0.00 0.00 0.04 3.08 -1.16 -1.90 114.38 114.44 3ibr h ARG 328 Ca -0.00 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.63 3ibr h ARG 328 Cb 0.77 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.75 3ibr h ARG 328 CO 0.05 0.25 -2.46 0.00 -1.07 0.00 0.00 179.97 176.75 3ibr n ALA 329 N -2.23 1.37 0.07 0.04 0.00 -0.79 -3.11 120.51 115.87 3ibr n ALA 329 Ca 0.00 -1.07 0.20 0.00 0.00 0.00 0.00 53.44 52.58 3ibr n ALA 329 Cb 0.46 0.03 0.74 0.00 0.00 0.00 0.00 19.45 20.69 3ibr n ALA 329 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3ibr h ARG 330 N -0.46 0.00 -0.26 0.00 2.43 -1.02 -0.77 114.38 114.29 3ibr h ARG 330 Ca -0.62 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 3ibr h ARG 330 Cb 1.74 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 3ibr h ARG 330 CO -0.24 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 177.97 3ibr n ASP 331 N -3.90 2.67 -4.56 -3.80 8.00 -0.71 -5.01 116.55 109.24 3ibr n ASP 331 Ca 0.08 -1.90 -0.28 0.00 0.71 0.00 0.00 54.79 53.40 3ibr n ASP 331 Cb 0.60 -0.17 -0.10 0.00 -0.02 0.00 0.00 41.12 41.43 3ibr n ASP 331 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ibr s ALA 332 N -0.97 3.25 -0.12 2.24 0.00 -0.30 -5.01 121.76 120.85 3ibr s ALA 332 Ca 0.20 -1.54 -0.13 0.00 0.00 0.00 0.00 51.96 50.48 3ibr s ALA 332 Cb 0.11 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 3ibr s ALA 332 CO 0.14 -0.16 -0.26 -3.47 0.00 0.00 0.00 175.76 172.01 3ibr n ASP 333 N -1.04 1.70 -4.45 0.00 -0.08 -1.26 -4.86 116.55 106.56 3ibr n ASP 333 Ca -0.09 0.28 -0.42 0.00 -1.51 0.00 0.00 54.79 53.05 3ibr n ASP 333 Cb 0.67 -0.64 -0.10 0.00 2.34 0.00 0.00 41.12 43.38 3ibr n ASP 333 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3ibr s ASP 334 N -6.06 6.00 0.20 1.67 -1.08 -1.26 -4.95 116.67 111.18 3ibr s ASP 334 Ca -0.23 -0.85 0.12 0.00 -0.52 0.00 0.00 52.55 51.07 3ibr s ASP 334 Cb 0.04 -2.12 -0.06 0.00 -1.46 0.00 0.00 42.92 39.32 3ibr s ASP 334 CO 0.33 -0.40 1.32 -0.07 0.52 0.00 0.00 175.17 176.87 3ibr h LEU 335 N 8.56 0.00 -1.65 -1.34 3.38 -1.95 -2.69 115.31 119.61 3ibr h LEU 335 Ca -0.27 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.73 3ibr h LEU 335 Cb 1.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 3ibr h LEU 335 CO 0.70 0.71 0.29 0.15 0.09 0.00 0.00 178.44 180.39 3ibr h PHE 336 N 0.00 0.43 0.00 1.13 3.57 -1.98 0.88 116.94 120.97 3ibr h PHE 336 Ca -0.02 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.31 3ibr h PHE 336 Cb 1.57 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 40.13 3ibr h PHE 336 CO 0.00 0.25 -1.47 0.41 -2.23 0.00 0.00 178.31 175.27 3ibr n GLY 337 N -1.50 -1.18 0.14 2.40 0.00 -1.17 -3.66 105.19 100.23 3ibr n GLY 337 Ca 0.05 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 3ibr n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibr h ALA 338 N 1.41 0.05 0.00 4.61 0.00 -1.12 -2.35 119.26 121.86 3ibr h ALA 338 Ca -0.18 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3ibr h ALA 338 Cb 1.60 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3ibr h ALA 338 CO 0.04 0.38 0.02 1.28 0.00 0.00 0.00 179.25 180.98 3ibr n LEU 339 N -4.17 0.08 -0.79 0.00 4.77 0.27 -3.69 117.00 113.46 3ibr n LEU 339 Ca -0.11 0.52 0.03 0.00 -0.03 0.00 0.00 56.01 56.42 3ibr n LEU 339 Cb 0.72 -0.53 0.05 0.00 -2.33 0.00 0.00 43.42 41.33 3ibr n LEU 339 CO 0.48 -0.54 0.24 0.00 -1.33 0.00 0.00 177.39 176.23 3ibr n ALA 340 N -1.52 2.33 -2.22 -1.18 0.00 -1.03 -3.79 120.51 113.10 3ibr n ALA 340 Ca -0.00 -1.91 -0.42 0.00 0.00 0.00 0.00 53.44 51.11 3ibr n ALA 340 Cb 0.02 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 3ibr n ALA 340 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ibr s HIS 341 N -0.72 2.92 -1.45 0.00 2.46 -0.91 -4.81 115.29 112.78 3ibr s HIS 341 Ca 0.20 0.84 0.00 0.00 0.47 0.00 0.00 55.06 56.57 3ibr s HIS 341 Cb 0.21 -3.66 0.00 0.00 -0.13 0.00 0.00 32.58 28.99 3ibr s HIS 341 CO -0.06 -2.42 0.28 -2.30 -2.47 0.00 0.00 174.74 167.77 3ibr n PRO 342 N 5.14 0.00 -0.00 2.88 -0.02 -1.26 0.44 135.00 142.18 3ibr n PRO 342 Ca 0.13 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3ibr n PRO 342 Cb 0.43 -1.39 -0.00 0.00 -0.02 0.00 0.00 33.50 32.52 3ibr n PRO 342 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ibr n ASP 343 N -0.75 4.33 -0.99 2.55 9.92 -1.26 -4.07 116.55 126.28 3ibr n ASP 343 Ca 0.00 -0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 3ibr n ASP 343 Cb 0.00 0.21 0.03 0.00 -0.64 0.00 0.00 41.12 40.72 3ibr n ASP 343 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3ibr n ASP 344 N -2.31 2.56 -4.89 -2.24 9.92 0.17 -4.84 116.55 114.93 3ibr n ASP 344 Ca -0.01 -2.18 -0.29 0.00 -0.53 0.00 0.00 54.79 51.78 3ibr n ASP 344 Cb 0.52 -0.54 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 3ibr n ASP 344 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3ibr s GLY 345 N 0.41 1.60 0.14 0.44 0.00 -0.39 -4.20 107.32 105.31 3ibr s GLY 345 Ca 0.07 -0.27 -0.18 0.00 0.00 0.00 0.00 44.72 44.34 3ibr s GLY 345 CO 0.02 -0.05 1.74 -2.22 0.00 0.00 0.00 173.10 172.59 3ibr h ILE 346 N -0.04 0.89 -0.20 0.90 5.03 -1.90 -2.12 117.51 120.08 3ibr h ILE 346 Ca -0.45 -0.06 0.06 0.00 -0.12 0.00 0.00 64.86 64.28 3ibr h ILE 346 Cb 1.20 0.70 -0.01 0.00 -3.03 0.00 0.00 36.82 35.68 3ibr h ILE 346 CO 0.62 0.03 0.38 0.00 -0.68 0.00 0.00 178.15 178.50 3ibr h ALA 347 N 1.19 1.72 -0.17 1.87 0.00 -1.93 0.45 119.26 122.39 3ibr h ALA 347 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ibr h ALA 347 Cb 0.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ibr h ALA 347 CO -0.15 -0.48 0.00 0.00 0.00 0.00 0.00 179.25 178.62 3ibr n ALA 348 N -2.12 2.48 -0.01 0.00 0.00 -0.80 -3.98 120.51 116.09 3ibr n ALA 348 Ca 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 53.44 53.15 3ibr n ALA 348 Cb 0.49 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 3ibr n ALA 348 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ibr n LEU 349 N 0.01 0.45 -4.25 0.00 4.77 0.16 -4.95 117.00 113.18 3ibr n LEU 349 Ca 0.06 -0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.79 3ibr n LEU 349 Cb 0.15 0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 41.14 3ibr n LEU 349 CO 0.04 0.13 -0.52 -0.63 -1.33 0.00 0.00 177.39 175.09 3ibr s ILE 350 N -2.06 1.64 -0.47 -0.08 1.01 -1.23 -5.03 121.20 114.99 3ibr s ILE 350 Ca -0.02 -1.29 -0.27 0.00 0.00 0.00 0.00 60.65 59.08 3ibr s ILE 350 Cb 0.01 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 3ibr s ILE 350 CO 0.09 0.11 2.01 -2.84 0.00 0.00 0.00 174.94 174.32 3ibr s PRO 351 N -1.39 2.74 0.13 2.79 0.02 -1.26 -4.79 135.00 133.24 3ibr s PRO 351 Ca 0.07 1.16 0.03 0.00 0.02 0.00 0.00 61.00 62.28 3ibr s PRO 351 Cb -0.09 -4.38 -0.01 0.00 0.02 0.00 0.00 34.50 30.04 3ibr s PRO 351 CO 0.02 -2.57 0.10 0.00 -0.33 0.00 0.00 177.00 174.23 3ibr n ASP 353 N -2.39 3.25 -3.56 0.00 10.43 -0.65 -5.02 116.55 118.62 3ibr n ASP 353 Ca 0.02 0.00 -0.16 0.00 2.57 0.00 0.00 54.79 57.22 3ibr n ASP 353 Cb 0.24 0.75 -0.06 0.00 1.84 0.00 0.00 41.12 43.89 3ibr n ASP 353 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3ibr s GLY 354 N -3.76 -0.48 0.29 0.44 0.00 -1.25 -4.78 107.32 97.78 3ibr s GLY 354 Ca -0.03 0.91 0.05 0.00 0.00 0.00 0.00 44.72 45.65 3ibr s GLY 354 CO 0.29 0.59 0.27 0.00 0.00 0.00 0.00 173.10 174.26 3ibr n ALA 355 N 0.72 0.45 -3.64 3.20 0.00 -0.97 -0.66 120.51 119.61 3ibr n ALA 355 Ca -0.19 -1.62 -0.08 0.00 0.00 0.00 0.00 53.44 51.56 3ibr n ALA 355 Cb 0.58 1.31 -0.07 0.00 0.00 0.00 0.00 19.45 21.27 3ibr n ALA 355 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ibr s LEU 356 N 0.00 -0.84 0.29 0.00 1.98 -0.31 -2.77 118.68 117.03 3ibr s LEU 356 Ca 0.32 1.39 0.11 0.00 -2.89 0.00 0.00 54.13 53.06 3ibr s LEU 356 Cb 0.01 2.29 -0.05 0.00 0.66 0.00 0.00 46.19 49.11 3ibr s LEU 356 CO 0.23 -0.22 -0.16 -0.69 -1.89 0.00 0.00 176.35 173.62 3ibr s VAL 357 N 1.34 2.57 0.00 1.68 1.01 -1.25 -1.66 120.40 124.08 3ibr s VAL 357 Ca -0.08 -2.32 0.00 0.00 0.00 0.00 0.00 61.98 59.59 3ibr s VAL 357 Cb -0.05 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3ibr s VAL 357 CO -0.15 -0.37 0.00 -0.11 0.00 0.00 0.00 175.10 174.47 3ibr n LEU 359 N -0.68 0.00 0.00 3.92 7.94 -1.14 -3.86 117.00 123.19 3ibr n LEU 359 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 3ibr n LEU 359 Cb 0.60 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.55 3ibr n LEU 359 CO 0.39 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.28 3ibr n GLY 360 N -0.43 2.08 0.32 -3.96 0.00 -1.26 -2.96 105.19 98.98 3ibr n GLY 360 Ca 0.00 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.66 3ibr n GLY 360 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibr n GLY 361 N 0.00 4.45 3.34 -0.02 0.00 -1.26 -4.97 105.19 106.73 3ibr n GLY 361 Ca 0.00 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 3ibr n GLY 361 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ibr s ARG 362 N -2.63 3.33 0.19 1.61 3.52 -1.16 -5.12 118.95 118.70 3ibr s ARG 362 Ca 0.31 -0.72 0.08 0.00 -0.13 0.00 0.00 55.73 55.28 3ibr s ARG 362 Cb 0.29 -2.58 -0.04 0.00 -1.56 0.00 0.00 34.95 31.05 3ibr s ARG 362 CO -0.01 0.20 -0.16 -0.08 -0.81 0.00 0.00 175.30 174.44 3ibr s THR 363 N 0.37 1.77 -0.19 4.11 -1.32 -1.26 -2.87 115.64 116.25 3ibr s THR 363 Ca -0.12 -2.11 -0.04 0.00 -1.21 0.00 0.00 61.69 58.20 3ibr s THR 363 Cb -0.16 -1.97 0.09 0.00 -1.51 0.00 0.00 72.50 68.95 3ibr s THR 363 CO 0.06 -0.50 0.32 -0.22 -2.21 0.00 0.00 174.62 172.07 3ibr s LEU 364 N -3.10 -0.42 -0.84 9.08 0.20 -1.25 -5.01 118.68 117.34 3ibr s LEU 364 Ca 0.20 0.41 -0.23 0.00 0.69 0.00 0.00 54.13 55.20 3ibr s LEU 364 Cb -0.03 0.88 0.07 0.00 -0.43 0.00 0.00 46.19 46.68 3ibr s LEU 364 CO 0.07 -0.27 1.21 -0.94 -0.29 0.00 0.00 176.35 176.13 3ibr s SER 365 N 2.47 6.36 0.14 3.68 1.04 -1.26 -3.95 113.70 122.19 3ibr s SER 365 Ca 0.05 -1.22 -0.26 0.00 0.48 0.00 0.00 55.95 55.00 3ibr s SER 365 Cb -0.14 -2.49 -0.07 0.00 0.10 0.00 0.00 66.02 63.42 3ibr s SER 365 CO -0.12 -1.48 0.82 -0.51 0.98 0.00 0.00 173.24 172.93 3ibr s ILE 366 N 4.43 4.43 0.00 -1.02 2.07 -1.11 -5.02 121.20 124.97 3ibr s ILE 366 Ca 0.34 1.78 0.00 0.00 -1.41 0.00 0.00 60.65 61.36 3ibr s ILE 366 Cb -0.07 -4.18 0.00 0.00 0.13 0.00 0.00 42.46 38.34 3ibr s ILE 366 CO 0.01 0.46 0.00 0.54 -1.91 0.00 0.00 174.94 174.05 3ibr n ARG 367 N 1.99 0.00 0.00 3.50 1.74 -1.26 -2.30 116.66 120.33 3ibr n ARG 367 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3ibr n ARG 367 Cb 0.49 -3.54 0.00 0.00 -1.02 0.00 0.00 32.46 28.39 3ibr n ARG 367 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3ibr n GLU 371 N -1.68 0.00 0.09 5.56 2.13 -1.26 -4.41 120.64 121.07 3ibr n GLU 371 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 3ibr n GLU 371 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 3ibr n GLU 371 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 3ibr h ARG 372 N 0.00 -0.22 -0.05 5.31 2.43 -2.03 -2.21 114.38 117.61 3ibr h ARG 372 Ca 0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3ibr h ARG 372 Cb 0.00 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3ibr h ARG 372 CO 0.00 0.07 0.30 1.96 -1.51 0.00 0.00 179.97 180.79 3ibr h GLN 373 N -0.50 0.00 -0.22 0.20 4.20 -2.06 -0.05 115.11 116.69 3ibr h GLN 373 Ca -0.02 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 3ibr h GLN 373 Cb 0.38 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3ibr h GLN 373 CO 0.04 0.00 -0.33 0.00 -0.67 0.00 0.00 178.83 177.86 3ibr h ALA 374 N 1.44 1.02 0.00 3.87 0.00 -1.84 -1.08 119.26 122.67 3ibr h ALA 374 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3ibr h ALA 374 Cb 0.63 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3ibr h ALA 374 CO -0.00 0.59 0.00 0.78 0.00 0.00 0.00 179.25 180.62 3ibr h GLY 375 N 1.07 0.00 0.32 0.00 0.00 -0.99 -2.99 103.07 100.48 3ibr h GLY 375 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.02 3ibr h GLY 375 CO 0.06 0.00 -2.20 0.70 0.00 0.00 0.00 176.54 175.10 3ibr n ASN 376 N -2.51 1.09 0.05 0.19 3.02 -1.02 -3.59 115.26 112.49 3ibr n ASN 376 Ca 0.04 0.09 -0.11 0.00 -0.03 0.00 0.00 54.58 54.56 3ibr n ASN 376 Cb 0.37 0.07 -0.01 0.00 -0.61 0.00 0.00 39.78 39.61 3ibr n ASN 376 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3ibr h VAL 377 N 0.01 1.39 0.00 2.41 2.07 -1.29 -2.17 116.25 118.67 3ibr h VAL 377 Ca -0.48 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 64.78 3ibr h VAL 377 Cb 2.07 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 34.07 3ibr h VAL 377 CO 0.02 0.68 0.00 0.25 0.02 0.00 0.00 177.57 178.54 3ibr h LEU 378 N 0.27 0.00 -0.27 2.57 5.85 -1.72 -2.60 115.31 119.40 3ibr h LEU 378 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3ibr h LEU 378 Cb 1.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.45 3ibr h LEU 378 CO 0.14 0.00 -0.34 1.67 -0.34 0.00 0.00 178.44 179.57 3ibr n GLN 379 N -2.89 0.48 -0.00 1.25 7.27 -0.90 -3.61 117.38 118.98 3ibr n GLN 379 Ca 0.01 -0.27 0.08 0.00 0.07 0.00 0.00 57.00 56.89 3ibr n GLN 379 Cb 0.28 -1.49 -0.11 0.00 2.41 0.00 0.00 30.24 31.33 3ibr n GLN 379 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 3ibr n ARG 380 N -1.03 1.13 -1.10 3.69 0.63 -0.87 -3.95 116.66 115.17 3ibr n ARG 380 Ca 0.10 -0.08 -0.21 0.00 -0.92 0.00 0.00 57.85 56.73 3ibr n ARG 380 Cb 0.34 -1.32 0.16 0.00 0.45 0.00 0.00 32.46 32.09 3ibr n ARG 380 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3ibr n LEU 381 N -1.73 6.34 0.04 6.15 4.77 -1.05 -4.24 117.00 127.29 3ibr n LEU 381 Ca -0.00 -3.38 -0.12 0.00 -0.03 0.00 0.00 56.01 52.47 3ibr n LEU 381 Cb 0.34 -0.80 -0.14 0.00 -2.33 0.00 0.00 43.42 40.49 3ibr n LEU 381 CO 0.33 0.99 -0.26 1.56 -1.33 0.00 0.00 177.39 178.68 3ibr h GLN 382 N 0.90 0.13 -0.02 3.23 1.08 -1.68 -3.26 115.11 115.48 3ibr h GLN 382 Ca 0.57 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 3ibr h GLN 382 Cb 2.66 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 30.17 3ibr h GLN 382 CO 0.99 0.95 0.00 0.54 -0.95 0.00 0.00 178.83 180.36 3ibr n ARG 383 N -3.34 1.46 -3.22 1.46 1.74 -1.26 -3.75 116.66 109.75 3ibr n ARG 383 Ca -0.12 -0.67 -0.24 0.00 -0.77 0.00 0.00 57.85 56.05 3ibr n ARG 383 Cb 1.02 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 30.92 3ibr n ARG 383 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ibr n ASP 384 N -0.18 1.11 0.00 0.55 -0.08 -1.24 -4.98 116.55 111.72 3ibr n ASP 384 Ca 0.20 -2.92 0.06 0.00 -1.51 0.00 0.00 54.79 50.63 3ibr n ASP 384 Cb 0.27 -0.64 0.31 0.00 2.34 0.00 0.00 41.12 43.40 3ibr n ASP 384 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3ibr n PRO 385 N 1.08 0.18 -0.08 -0.67 -0.02 -1.23 -2.00 135.00 132.27 3ibr n PRO 385 Ca 0.24 0.17 0.09 0.00 -2.02 0.00 0.00 63.50 61.97 3ibr n PRO 385 Cb 0.52 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.62 3ibr n PRO 385 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ibr n GLU 386 N -1.28 1.40 -2.69 -0.52 1.02 -1.26 -5.00 120.64 112.31 3ibr n GLU 386 Ca 0.06 -2.42 -0.42 0.00 -0.02 0.00 0.00 57.16 54.35 3ibr n GLU 386 Cb 0.10 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 3ibr n GLU 386 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ibr s ARG 387 N -2.61 4.45 0.00 3.49 1.81 -0.85 -4.91 118.95 120.34 3ibr s ARG 387 Ca 0.28 1.40 0.22 0.00 -1.72 0.00 0.00 55.73 55.91 3ibr s ARG 387 Cb 0.24 -3.52 -0.15 0.00 -0.45 0.00 0.00 34.95 31.07 3ibr s ARG 387 CO 0.03 -0.26 0.94 -0.25 -0.68 0.00 0.00 175.30 175.08 3ibr n ASP 388 N 4.77 0.88 -4.18 0.23 10.43 -1.26 -4.85 116.55 122.56 3ibr n ASP 388 Ca 0.08 -0.84 -0.11 0.00 2.57 0.00 0.00 54.79 56.49 3ibr n ASP 388 Cb 0.49 0.96 -0.10 0.00 1.84 0.00 0.00 41.12 44.31 3ibr n ASP 388 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3ibr s ILE 389 N -3.03 0.78 -0.13 0.53 1.01 -1.26 -0.77 121.20 118.33 3ibr s ILE 389 Ca 0.07 -1.94 -0.23 0.00 0.00 0.00 0.00 60.65 58.56 3ibr s ILE 389 Cb 0.16 -1.69 0.06 0.00 0.01 0.00 0.00 42.46 41.00 3ibr s ILE 389 CO 0.85 -0.84 0.57 -0.47 0.00 0.00 0.00 174.94 175.05 3ibr s TYR 390 N -3.52 -0.57 -0.21 3.97 5.04 0.12 -4.92 117.35 117.27 3ibr s TYR 390 Ca 0.12 1.19 -0.13 0.00 -2.44 0.00 0.00 57.07 55.82 3ibr s TYR 390 Cb 0.04 0.26 0.06 0.00 0.35 0.00 0.00 41.96 42.68 3ibr s TYR 390 CO -0.04 -0.42 0.52 -3.38 -1.34 0.00 0.00 175.55 170.89 3ibr s HIS 391 N -0.47 -0.73 0.18 4.97 -3.43 -1.26 0.80 115.29 115.35 3ibr s HIS 391 Ca -0.06 1.56 -0.23 0.00 -0.80 0.00 0.00 55.06 55.53 3ibr s HIS 391 Cb -0.03 0.36 0.07 0.00 -1.43 0.00 0.00 32.58 31.55 3ibr s HIS 391 CO 0.04 -0.38 0.98 -0.08 -2.00 0.00 0.00 174.74 173.30 3ibr s THR 392 N 1.22 0.00 0.18 -5.38 -1.32 0.52 -4.99 115.64 105.86 3ibr s THR 392 Ca -0.08 -0.66 -0.20 0.00 -1.21 0.00 0.00 61.69 59.54 3ibr s THR 392 Cb -0.06 -2.41 0.05 0.00 -1.51 0.00 0.00 72.50 68.56 3ibr s THR 392 CO -0.12 0.00 0.56 1.51 -2.21 0.00 0.00 174.62 174.36 3ibr s ASP 393 N -3.13 -0.40 0.00 8.08 -4.77 -1.20 -1.53 116.67 113.71 3ibr s ASP 393 Ca 0.16 -0.24 0.00 0.00 -3.30 0.00 0.00 52.55 49.18 3ibr s ASP 393 Cb -0.02 0.59 0.00 0.00 -1.09 0.00 0.00 42.92 42.40 3ibr s ASP 393 CO 0.04 -1.01 0.00 -0.46 0.70 0.00 0.00 175.17 174.44 3ibr n ASN 394 N -0.35 0.00 0.16 2.11 0.23 -1.15 -4.95 115.26 111.31 3ibr n ASN 394 Ca -0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.91 3ibr n ASN 394 Cb 0.64 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.34 3ibr n ASN 394 CO 0.00 0.00 0.00 1.87 -0.93 0.00 0.00 177.26 178.20 3ibr n TRP 395 N -2.00 0.00 0.00 -2.53 -0.00 -1.24 -4.98 117.44 106.69 3ibr n TRP 395 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3ibr n TRP 395 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3ibr n TRP 395 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3ibr n GLY 406 N 0.00 0.71 0.31 5.87 0.00 -1.26 -5.00 105.19 105.83 3ibr n GLY 406 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.98 3ibr n GLY 406 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ibr n ASP 407 N -0.81 2.74 -3.71 1.61 5.75 -1.26 -4.99 116.55 115.87 3ibr n ASP 407 Ca 0.00 -2.88 -0.14 0.00 -0.01 0.00 0.00 54.79 51.76 3ibr n ASP 407 Cb 0.00 -0.40 -0.09 0.00 -1.03 0.00 0.00 41.12 39.60 3ibr n ASP 407 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ibr s GLY 410 N -5.38 1.93 -0.09 0.00 0.00 -0.20 -2.99 107.32 100.59 3ibr s GLY 410 Ca -0.13 0.18 -0.04 0.00 0.00 0.00 0.00 44.72 44.73 3ibr s GLY 410 CO 0.68 2.01 0.19 0.14 0.00 0.00 0.00 173.10 176.12 3ibr s VAL 411 N 2.72 -0.17 -0.04 1.40 1.01 -0.58 -2.52 120.40 122.22 3ibr s VAL 411 Ca 0.43 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.69 3ibr s VAL 411 Cb -0.16 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.90 3ibr s VAL 411 CO 0.10 0.10 -0.12 -0.22 0.00 0.00 0.00 175.10 174.96 3ibr s LEU 412 N 1.73 1.80 -0.04 3.92 0.20 -1.00 -0.36 118.68 124.93 3ibr s LEU 412 Ca -0.04 -0.27 0.02 0.00 0.69 0.00 0.00 54.13 54.53 3ibr s LEU 412 Cb -0.12 -0.75 0.01 0.00 -0.43 0.00 0.00 46.19 44.91 3ibr s LEU 412 CO -0.07 0.09 -0.08 0.00 -0.29 0.00 0.00 176.35 176.00 3ibr s ALA 413 N 0.22 0.87 0.01 5.97 0.00 0.24 -2.07 121.76 127.00 3ibr s ALA 413 Ca -0.05 -0.23 0.07 0.00 0.00 0.00 0.00 51.96 51.74 3ibr s ALA 413 Cb -0.11 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 3ibr s ALA 413 CO 0.02 0.08 -0.21 0.96 0.00 0.00 0.00 175.76 176.61 3ibr s ILE 414 N 0.58 1.63 -0.08 0.00 -4.36 0.45 0.14 121.20 119.57 3ibr s ILE 414 Ca -0.09 -1.00 0.01 0.00 -0.26 0.00 0.00 60.65 59.30 3ibr s ILE 414 Cb -0.13 -1.38 -0.03 0.00 1.25 0.00 0.00 42.46 42.18 3ibr s ILE 414 CO 0.01 0.36 -0.10 -0.60 0.24 0.00 0.00 174.94 174.84 3ibr s ARG 415 N -0.76 2.89 0.00 0.37 3.52 0.05 0.07 118.95 125.09 3ibr s ARG 415 Ca 0.08 -0.62 0.00 0.00 -0.13 0.00 0.00 55.73 55.05 3ibr s ARG 415 Cb -0.08 -2.56 0.00 0.00 -1.56 0.00 0.00 34.95 30.75 3ibr s ARG 415 CO 0.00 0.52 0.00 1.97 -0.81 0.00 0.00 175.30 176.98 3ibr n PHE 416 N 2.64 0.00 -1.72 5.12 -1.74 -1.26 -4.94 117.46 115.56 3ibr n PHE 416 Ca -0.18 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.71 3ibr n PHE 416 Cb 0.53 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.53 3ibr n PHE 416 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3ibr n GLY 422 N 0.25 -4.79 2.72 4.97 0.00 -1.26 -5.12 105.19 101.95 3ibr n GLY 422 Ca 0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 3ibr n GLY 422 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3ibr n TRP 423 N -0.80 0.21 -3.68 1.61 7.02 -1.26 -4.94 117.44 115.60 3ibr n TRP 423 Ca 0.00 -2.09 -0.13 0.00 -1.02 0.00 0.00 57.50 54.26 3ibr n TRP 423 Cb 0.00 -0.04 -0.09 0.00 -2.42 0.00 0.00 31.31 28.77 3ibr n TRP 423 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3ibr s ILE 424 N -2.74 -0.00 0.03 -0.99 1.01 0.11 -4.66 121.20 113.96 3ibr s ILE 424 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 60.65 60.81 3ibr s ILE 424 Cb 0.01 -0.79 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 3ibr s ILE 424 CO 0.10 0.00 -0.06 -0.36 0.00 0.00 0.00 174.94 174.62 3ibr s PHE 425 N 0.38 0.51 -0.02 3.97 0.40 -0.66 -0.41 117.98 122.14 3ibr s PHE 425 Ca -0.01 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 55.93 3ibr s PHE 425 Cb -0.04 -0.32 0.00 0.00 0.51 0.00 0.00 43.02 43.17 3ibr s PHE 425 CO -0.00 -0.09 -0.08 -1.58 0.70 0.00 0.00 175.22 174.17 3ibr s TRP 426 N -1.13 0.78 0.22 0.36 0.52 -0.88 -1.16 118.94 117.66 3ibr s TRP 426 Ca -0.09 -0.18 0.11 0.00 0.02 0.00 0.00 56.10 55.96 3ibr s TRP 426 Cb -0.08 -0.56 -0.05 0.00 -1.15 0.00 0.00 33.47 31.63 3ibr s TRP 426 CO -0.00 -0.07 -0.18 -0.06 0.02 0.00 0.00 176.95 176.65 3ibr s PHE 427 N 0.15 2.39 -0.14 -1.98 0.40 0.17 -2.38 117.98 116.57 3ibr s PHE 427 Ca -0.02 -0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 55.96 3ibr s PHE 427 Cb -0.07 -1.12 0.07 0.00 0.51 0.00 0.00 43.02 42.40 3ibr s PHE 427 CO 0.00 0.58 0.17 1.03 0.70 0.00 0.00 175.22 177.70 3ibr s ARG 428 N -3.05 0.10 0.18 0.44 0.52 -1.05 -1.63 118.95 114.46 3ibr s ARG 428 Ca 0.25 0.31 -0.03 0.00 -0.52 0.00 0.00 55.73 55.74 3ibr s ARG 428 Cb -0.07 -0.92 0.04 0.00 0.52 0.00 0.00 34.95 34.52 3ibr s ARG 428 CO 0.13 -0.51 0.21 -2.39 0.02 0.00 0.00 175.30 172.77 3ibr n HIS 429 N 5.31 -3.74 -3.20 -0.53 1.44 -1.26 -1.04 115.22 112.20 3ibr n HIS 429 Ca -0.05 -0.19 -0.23 0.00 -2.01 0.00 0.00 57.72 55.24 3ibr n HIS 429 Cb 0.50 -0.18 -0.06 0.00 0.12 0.00 0.00 29.99 30.37 3ibr n HIS 429 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3ibr n GLU 430 N -1.66 1.25 -0.48 -1.40 1.02 -1.26 -4.56 120.64 113.55 3ibr n GLU 430 Ca 0.03 -3.61 0.08 0.00 -0.02 0.00 0.00 57.16 53.64 3ibr n GLU 430 Cb 0.10 -1.59 0.28 0.00 -0.02 0.00 0.00 31.44 30.21 3ibr n GLU 430 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3ibr n GLU 431 N 0.86 3.37 -1.44 3.49 2.13 -1.26 -5.00 120.64 122.79 3ibr n GLU 431 Ca 0.24 -2.70 -0.50 0.00 0.66 0.00 0.00 57.16 54.86 3ibr n GLU 431 Cb 0.54 -1.76 -0.04 0.00 0.27 0.00 0.00 31.44 30.45 3ibr n GLU 431 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3ibr n VAL 432 N 0.40 1.60 -3.77 6.31 0.24 -1.26 -5.24 118.33 116.61 3ibr n VAL 432 Ca 0.21 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3ibr n VAL 432 Cb 0.81 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.07 3ibr n VAL 432 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3ibr n HIS 433 N 0.34 0.00 -2.68 6.34 -0.00 -1.26 -5.11 115.22 112.85 3ibr n HIS 433 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 3ibr n HIS 433 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.22 3ibr n HIS 433 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3ibr n GLY 448 N 0.00 5.01 3.98 1.57 0.00 -1.26 -5.24 105.19 109.26 3ibr n GLY 448 Ca 0.00 -1.29 -0.23 0.00 0.00 0.00 0.00 46.02 44.49 3ibr n GLY 448 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ibr s PRO 449 N 1.22 1.92 -0.06 1.61 0.02 -1.26 -4.84 135.00 133.61 3ibr s PRO 449 Ca 0.00 -0.90 0.01 0.00 0.02 0.00 0.00 61.00 60.13 3ibr s PRO 449 Cb 0.00 -2.33 -0.04 0.00 0.02 0.00 0.00 34.50 32.14 3ibr s PRO 449 CO 0.00 -1.27 -0.04 0.45 -0.33 0.00 0.00 177.00 175.81 3ibr n SER 450 N -2.75 3.56 -4.88 2.53 2.88 -1.26 -5.03 113.62 108.67 3ibr n SER 450 Ca 0.12 -0.03 -0.27 0.00 -1.33 0.00 0.00 58.87 57.36 3ibr n SER 450 Cb 0.60 0.04 -0.04 0.00 -0.75 0.00 0.00 64.21 64.06 3ibr n SER 450 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3ibr s GLY 451 N -4.42 1.81 0.03 0.46 0.00 -1.26 -5.07 107.32 98.88 3ibr s GLY 451 Ca -0.07 -1.05 -0.27 0.00 0.00 0.00 0.00 44.72 43.32 3ibr s GLY 451 CO 0.16 -1.05 1.36 -2.55 0.00 0.00 0.00 173.10 171.02 3ibr h PRO 452 N 2.47 -0.55 0.00 2.90 0.11 -2.03 -3.36 132.00 131.55 3ibr h PRO 452 Ca -0.48 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ibr h PRO 452 Cb 1.19 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3ibr h PRO 452 CO 0.68 -0.26 -0.17 0.07 -0.21 0.00 0.00 178.00 178.11 3ibr h ARG 453 N -0.79 0.00 -4.23 1.05 0.11 -1.98 -3.41 114.38 105.13 3ibr h ARG 453 Ca -0.06 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.39 3ibr h ARG 453 Cb 0.54 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.65 3ibr h ARG 453 CO 0.10 0.00 2.54 1.28 0.10 0.00 0.00 179.97 183.99 3ibr n LEU 454 N -2.28 4.86 -3.80 0.08 4.77 -1.26 -3.71 117.00 115.67 3ibr n LEU 454 Ca 0.05 -3.18 -0.12 0.00 -0.03 0.00 0.00 56.01 52.73 3ibr n LEU 454 Cb 0.44 -1.23 -0.09 0.00 -2.33 0.00 0.00 43.42 40.21 3ibr n LEU 454 CO 0.32 0.10 -0.05 0.42 -1.33 0.00 0.00 177.39 176.86 3ibr s THR 455 N 4.40 0.08 0.06 -5.08 -4.23 -1.26 -4.74 115.64 104.86 3ibr s THR 455 Ca 0.54 -0.64 -0.17 0.00 -1.18 0.00 0.00 61.69 60.23 3ibr s THR 455 Cb 0.14 -0.69 -0.06 0.00 1.34 0.00 0.00 72.50 73.23 3ibr s THR 455 CO 0.06 -0.35 1.28 -0.65 -0.54 0.00 0.00 174.62 174.41 3ibr h PRO 456 N 3.77 -0.23 0.00 3.99 0.11 -1.92 0.20 132.00 137.92 3ibr h PRO 456 Ca -0.31 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3ibr h PRO 456 Cb 1.19 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ibr h PRO 456 CO 0.43 -0.15 0.00 -2.13 -0.21 0.00 0.00 178.00 175.93 3ibr n ARG 457 N -4.06 0.08 0.09 1.05 0.63 -1.26 -2.27 116.66 110.92 3ibr n ARG 457 Ca -0.02 0.22 0.12 0.00 -0.92 0.00 0.00 57.85 57.24 3ibr n ARG 457 Cb 0.18 -1.63 0.12 0.00 0.45 0.00 0.00 32.46 31.58 3ibr n ARG 457 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3ibr h GLY 458 N 3.43 0.00 0.99 5.14 0.00 -1.68 -1.90 103.07 109.05 3ibr h GLY 458 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 3ibr h GLY 458 CO 0.00 0.00 -1.71 1.76 0.00 0.00 0.00 176.54 176.59 3ibr h SER 459 N 0.00 0.47 0.01 0.19 0.02 -0.22 -2.91 113.55 111.11 3ibr h SER 459 Ca 0.00 -0.74 -0.08 0.00 -0.84 0.00 0.00 61.79 60.13 3ibr h SER 459 Cb 0.86 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 3ibr h SER 459 CO 0.00 1.63 -0.21 0.15 -1.14 0.00 0.00 176.83 177.27 3ibr h PHE 460 N 0.08 0.39 -0.33 3.45 3.57 -1.53 -0.82 116.94 121.75 3ibr h PHE 460 Ca -0.32 -0.07 -0.15 0.00 3.53 0.00 0.00 57.97 60.96 3ibr h PHE 460 Cb 2.06 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.69 3ibr h PHE 460 CO 0.08 0.55 -0.40 0.93 -2.23 0.00 0.00 178.31 177.23 3ibr h GLU 461 N 0.32 0.81 0.00 1.11 5.08 -1.44 -2.54 114.58 117.93 3ibr h GLU 461 Ca 0.06 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3ibr h GLU 461 Cb 0.55 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 3ibr h GLU 461 CO 0.04 1.06 -0.00 0.00 -1.00 0.00 0.00 179.01 179.10 3ibr h ALA 462 N 0.88 1.00 -0.05 3.43 0.00 -1.27 -3.13 119.26 120.12 3ibr h ALA 462 Ca 0.05 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3ibr h ALA 462 Cb 0.97 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3ibr h ALA 462 CO 0.09 0.00 -0.32 2.35 0.00 0.00 0.00 179.25 181.38 3ibr h TRP 463 N 0.00 0.42 -0.76 0.00 7.01 -0.79 -3.31 115.95 118.51 3ibr h TRP 463 Ca -0.00 -0.19 0.16 0.00 2.11 0.00 0.00 58.89 60.97 3ibr h TRP 463 Cb 0.54 -0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 27.49 3ibr h TRP 463 CO 0.00 0.94 0.51 0.93 -2.79 0.00 0.00 178.44 178.03 3ibr h GLU 464 N -0.22 0.33 -0.31 2.65 5.08 -1.40 0.65 114.58 121.35 3ibr h GLU 464 Ca -0.03 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 3ibr h GLU 464 Cb 0.99 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 3ibr h GLU 464 CO 0.07 0.22 -0.25 1.49 -1.00 0.00 0.00 179.01 179.54 3ibr h GLU 465 N 0.34 0.61 0.00 2.33 4.81 -1.69 0.12 114.58 121.10 3ibr h GLU 465 Ca 0.38 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3ibr h GLU 465 Cb 0.97 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.32 3ibr h GLU 465 CO -0.11 0.81 0.00 0.28 -0.73 0.00 0.00 179.01 179.26 3ibr n VAL 466 N -4.11 0.97 -0.09 0.32 0.31 0.21 -3.66 118.33 112.28 3ibr n VAL 466 Ca -0.00 0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 3ibr n VAL 466 Cb 0.42 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 3ibr n VAL 466 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3ibr n VAL 467 N -2.03 0.00 0.31 2.52 0.24 -0.63 -4.63 118.33 114.11 3ibr n VAL 467 Ca 0.02 -0.40 0.15 0.00 -2.04 0.00 0.00 64.34 62.08 3ibr n VAL 467 Cb 0.17 1.09 0.58 0.00 -1.47 0.00 0.00 33.84 34.21 3ibr n VAL 467 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3ibr h ARG 468 N 0.00 0.00 0.00 7.34 3.08 -0.88 -2.86 114.38 121.06 3ibr h ARG 468 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3ibr h ARG 468 Cb 0.05 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 3ibr h ARG 468 CO 0.00 0.00 -0.41 0.41 -1.07 0.00 0.00 179.97 178.90 3ibr n GLY 469 N 0.21 4.09 2.89 0.04 0.00 -1.26 -5.01 105.19 106.14 3ibr n GLY 469 Ca 0.01 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 3ibr n GLY 469 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ibr s HIS 470 N -2.40 1.55 0.77 1.61 3.76 -1.08 -2.92 115.29 116.58 3ibr s HIS 470 Ca 0.32 -0.90 -0.12 0.00 -0.15 0.00 0.00 55.06 54.22 3ibr s HIS 470 Cb 0.31 -1.25 0.05 0.00 1.11 0.00 0.00 32.58 32.80 3ibr s HIS 470 CO -0.04 -0.56 1.12 -1.54 -0.85 0.00 0.00 174.74 172.86 3ibr s SER 471 N 1.69 4.82 -0.12 1.40 1.04 -1.26 -4.89 113.70 116.37 3ibr s SER 471 Ca 0.03 1.10 -0.34 0.00 0.48 0.00 0.00 55.95 57.22 3ibr s SER 471 Cb -0.14 -1.81 -0.11 0.00 0.10 0.00 0.00 66.02 64.06 3ibr s SER 471 CO -0.08 -1.74 1.92 0.41 0.98 0.00 0.00 173.24 174.73 3ibr n THR 472 N -3.26 0.54 -1.29 2.02 -1.04 -1.26 -4.87 114.28 105.12 3ibr n THR 472 Ca 0.07 -0.13 -0.34 0.00 -2.04 0.00 0.00 64.05 61.60 3ibr n THR 472 Cb 0.58 -1.88 0.11 0.00 -1.82 0.00 0.00 70.33 67.32 3ibr n THR 472 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3ibr s PRO 473 N 4.35 1.88 -0.48 -2.82 0.02 -1.26 -4.90 135.00 131.79 3ibr s PRO 473 Ca 0.95 1.86 -0.27 0.00 0.02 0.00 0.00 61.00 63.56 3ibr s PRO 473 Cb -0.70 -1.79 0.03 0.00 0.02 0.00 0.00 34.50 32.06 3ibr s PRO 473 CO 0.51 -2.06 1.05 -1.58 -0.33 0.00 0.00 177.00 174.60 3ibr s TRP 474 N -1.91 2.84 1.09 6.54 0.52 -1.26 -5.00 118.94 121.75 3ibr s TRP 474 Ca 0.76 0.54 -0.15 0.00 0.02 0.00 0.00 56.10 57.27 3ibr s TRP 474 Cb -0.32 -4.26 0.16 0.00 -1.15 0.00 0.00 33.47 27.91 3ibr s TRP 474 CO 0.47 -1.23 0.53 0.43 0.02 0.00 0.00 176.95 177.18 3ibr n SER 475 N 7.62 -1.80 0.26 2.95 7.64 -1.26 -4.75 113.62 124.27 3ibr n SER 475 Ca 0.09 0.01 0.10 0.00 1.01 0.00 0.00 58.87 60.08 3ibr n SER 475 Cb 0.49 -1.16 0.71 0.00 -1.01 0.00 0.00 64.21 63.24 3ibr n SER 475 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3ibr h GLU 476 N -2.16 0.00 0.05 1.43 4.57 -2.00 -2.68 114.58 113.79 3ibr h GLU 476 Ca -0.53 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.37 3ibr h GLU 476 Cb 1.33 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.94 3ibr h GLU 476 CO 0.41 0.00 -1.10 1.15 -1.18 0.00 0.00 179.01 178.30 3ibr h THR 477 N 0.00 1.29 -0.41 0.32 2.02 -1.99 -3.05 112.91 111.09 3ibr h THR 477 Ca 0.01 -2.32 -0.10 0.00 0.77 0.00 0.00 66.41 64.77 3ibr h THR 477 Cb 0.03 2.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 3ibr h THR 477 CO -0.00 0.71 -0.14 0.44 0.37 0.00 0.00 175.52 176.90 3ibr h ASP 478 N 0.32 0.74 0.75 4.18 3.32 -1.80 0.59 116.42 124.51 3ibr h ASP 478 Ca -0.15 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.65 3ibr h ASP 478 Cb 1.76 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 41.11 3ibr h ASP 478 CO 0.21 0.89 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.44 3ibr h LEU 479 N 0.67 0.00 0.11 1.55 -0.00 -1.58 -1.08 115.31 114.97 3ibr h LEU 479 Ca 0.11 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.70 3ibr h LEU 479 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.27 3ibr h LEU 479 CO 0.04 0.12 -1.42 0.00 -0.00 0.00 0.00 178.44 177.18 3ibr h ALA 480 N 1.88 0.25 0.25 1.53 0.00 -1.19 -3.03 119.26 118.95 3ibr h ALA 480 Ca -0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 54.91 53.85 3ibr h ALA 480 Cb 0.52 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3ibr h ALA 480 CO 0.02 1.12 -0.12 0.82 0.00 0.00 0.00 179.25 181.08 3ibr h ILE 481 N 0.06 0.66 -0.09 0.00 2.04 -0.73 0.14 117.51 119.59 3ibr h ILE 481 Ca -0.20 -0.88 0.03 0.00 1.00 0.00 0.00 64.86 64.81 3ibr h ILE 481 Cb 1.99 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 39.12 3ibr h ILE 481 CO 0.17 0.15 0.17 0.00 0.00 0.00 0.00 178.15 178.64 3ibr h ALA 482 N -0.42 1.50 0.00 1.87 0.00 -1.37 0.10 119.26 120.95 3ibr h ALA 482 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ibr h ALA 482 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3ibr h ALA 482 CO 0.06 -0.21 -0.07 1.49 0.00 0.00 0.00 179.25 180.51 3ibr h GLU 483 N 0.00 0.00 -0.99 0.00 4.22 -1.42 -2.84 114.58 113.55 3ibr h GLU 483 Ca 0.04 0.00 0.25 0.00 0.08 0.00 0.00 59.36 59.73 3ibr h GLU 483 Cb 0.37 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.50 3ibr h GLU 483 CO -0.00 0.00 0.57 0.87 -2.18 0.00 0.00 179.01 178.27 3ibr h LYS 484 N -0.60 0.53 0.81 1.92 1.79 -0.51 -0.26 116.57 120.26 3ibr h LYS 484 Ca 0.00 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 3ibr h LYS 484 Cb 0.07 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 30.61 3ibr h LYS 484 CO 0.00 0.35 -0.39 1.25 -1.08 0.00 0.00 179.45 179.58 3ibr h LEU 485 N 0.55 -0.93 -0.78 2.94 6.46 -0.93 0.49 115.31 123.12 3ibr h LEU 485 Ca 0.64 0.02 0.16 0.00 -0.12 0.00 0.00 57.88 58.59 3ibr h LEU 485 Cb 1.23 0.24 -0.14 0.00 -0.73 0.00 0.00 40.66 41.26 3ibr h LEU 485 CO -0.49 -0.61 -0.14 -0.09 -0.62 0.00 0.00 178.44 176.49 3ibr h ARG 486 N -1.19 0.02 -0.94 1.25 2.43 -1.01 0.52 114.38 115.46 3ibr h ARG 486 Ca -0.11 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3ibr h ARG 486 Cb 0.85 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.34 3ibr h ARG 486 CO 0.18 0.01 0.61 -0.07 -1.51 0.00 0.00 179.97 179.20 3ibr h LEU 487 N 0.02 1.02 -1.00 3.80 4.07 -0.71 -2.50 115.31 120.01 3ibr h LEU 487 Ca 0.39 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.27 3ibr h LEU 487 Cb 0.63 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 3ibr h LEU 487 CO -0.77 0.71 0.03 0.44 -1.08 0.00 0.00 178.44 177.76 3ibr h ASP 488 N 1.19 0.71 -1.00 -0.43 3.45 0.47 -3.20 116.42 117.62 3ibr h ASP 488 Ca 0.37 -0.16 -0.73 0.00 0.43 0.00 0.00 57.03 56.94 3ibr h ASP 488 Cb -0.02 -0.19 -0.10 0.00 -0.56 0.00 0.00 39.33 38.46 3ibr h ASP 488 CO -0.11 0.77 2.61 0.18 -1.57 0.00 0.00 179.24 181.11 3ibr n LEU 489 N -4.24 8.12 0.00 1.55 4.32 0.48 -4.28 117.00 122.95 3ibr n LEU 489 Ca 0.03 -4.81 0.00 0.00 -0.02 0.00 0.00 56.01 51.20 3ibr n LEU 489 Cb 0.27 -1.39 0.00 0.00 -1.62 0.00 0.00 43.42 40.68 3ibr n LEU 489 CO 0.41 2.05 0.00 -0.62 -1.22 0.00 0.00 177.39 178.00 3ibr n GLU 491 N 2.03 0.00 -2.40 3.23 1.02 -1.21 -4.94 120.64 118.37 3ibr n GLU 491 Ca 0.64 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 57.36 3ibr n GLU 491 Cb 0.25 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.64 3ibr n GLU 491 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ibr s LEU 492 N 0.00 4.39 -0.03 -4.62 1.02 -1.26 -4.91 118.68 113.27 3ibr s LEU 492 Ca 0.00 2.08 0.01 0.00 0.02 0.00 0.00 54.13 56.23 3ibr s LEU 492 Cb 0.00 -3.58 -0.02 0.00 0.02 0.00 0.00 46.19 42.60 3ibr s LEU 492 CO 0.00 -0.46 -0.02 0.00 0.02 0.00 0.00 176.35 175.89